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  • Committer: Package Import Robot
  • Author(s): Steffen Moeller
  • Date: 2011-11-02 13:29:07 UTC
  • mfrom: (1.2.1) (3.1.11 natty)
  • Revision ID: package-import@ubuntu.com-20111102132907-o34gwnt0uj5g6hen
Tags: 1.9.8+repack-1
* First release to Debian
  - added README.Debian
  - increased policy version to 3.9.2
  - added URLs for version control system
* Added debug package.

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Lines of Context:
data/samples/MMDB/1CRN.prt
 
1
Ncbi-mime-asn1 ::= strucseq {
 
2
  structure {
 
3
    id {
 
4
      mmdb-id 55825
 
5
    },
 
6
    descr {
 
7
      name "1CRN",
 
8
      history {
 
9
        replaces {
 
10
          id mmdb-id 596,
 
11
          date std {
 
12
            year 2007,
 
13
            month 8,
 
14
            day 27
 
15
          }
 
16
        },
 
17
        data-source {
 
18
          name-of-database "Protein Data Bank",
 
19
          version-of-database release-date std {
 
20
            year 2007,
 
21
            month 8,
 
22
            day 27
 
23
          },
 
24
          database-entry-id other-database {
 
25
            db "PDB",
 
26
            tag str "1CRN"
 
27
          },
 
28
          database-entry-date std {
 
29
            year 1981,
 
30
            month 4,
 
31
            day 30
 
32
          }
 
33
        }
 
34
      },
 
35
      attribution sub {
 
36
        authors {
 
37
          names std {
 
38
            {
 
39
              name name {
 
40
                last "Hendrickson",
 
41
                full "W.A.Hendrickson",
 
42
                initials "W.A."
 
43
              }
 
44
            },
 
45
            {
 
46
              name name {
 
47
                last "Teeter",
 
48
                full "M.M.Teeter",
 
49
                initials "M.M."
 
50
              }
 
51
            }
 
52
          }
 
53
        },
 
54
        imp {
 
55
          date std {
 
56
            year 1981,
 
57
            month 4,
 
58
            day 30
 
59
          }
 
60
        }
 
61
      },
 
62
      attribution equiv {
 
63
        article {
 
64
          title {
 
65
            name "Water structure of a hydrophobic protein at atomic
 
66
 resolution: Pentagon rings of water molecules in crystals of crambin."
 
67
          },
 
68
          authors {
 
69
            names std {
 
70
              {
 
71
                name name {
 
72
                  last "Teeter",
 
73
                  full "M.M.Teeter",
 
74
                  initials "M.M."
 
75
                }
 
76
              }
 
77
            },
 
78
            affil str "Department of Chemistry, Boston University, 685
 
79
 Commonwealth Avenue, Boston, MA 02215."
 
80
          },
 
81
          from journal {
 
82
            title {
 
83
              iso-jta "Proc. Natl. Acad. Sci. U.S.A.",
 
84
              ml-jta "Proc Natl Acad Sci U S A",
 
85
              issn "0027-8424",
 
86
              name "Proceedings of the National Academy of Sciences of the
 
87
 United States of America"
 
88
            },
 
89
            imp {
 
90
              date std {
 
91
                year 1984,
 
92
                month 10
 
93
              },
 
94
              volume "81",
 
95
              issue "19",
 
96
              pages "6014-6018",
 
97
              language "ENG",
 
98
              pubstatus ppublish,
 
99
              history {
 
100
                {
 
101
                  pubstatus pubmed,
 
102
                  date std {
 
103
                    year 1984,
 
104
                    month 10,
 
105
                    day 1,
 
106
                    hour 0,
 
107
                    minute 0
 
108
                  }
 
109
                },
 
110
                {
 
111
                  pubstatus medline,
 
112
                  date std {
 
113
                    year 1984,
 
114
                    month 10,
 
115
                    day 1,
 
116
                    hour 0,
 
117
                    minute 0
 
118
                  }
 
119
                }
 
120
              }
 
121
            }
 
122
          },
 
123
          ids {
 
124
            pubmed 16593516
 
125
          }
 
126
        },
 
127
        pmid 16593516
 
128
      },
 
129
      attribution article {
 
130
        title {
 
131
          name "Structure Of The Hydrophobic Protein Crambin Determined
 
132
 Directly From The Anomalous Scattering Of Sulphur"
 
133
        },
 
134
        authors {
 
135
          names std {
 
136
            {
 
137
              name name {
 
138
                last "Hendrickson",
 
139
                full "W.A.Hendrickson",
 
140
                initials "W.A."
 
141
              }
 
142
            },
 
143
            {
 
144
              name name {
 
145
                last "Teeter",
 
146
                full "M.M.Teeter",
 
147
                initials "M.M."
 
148
              }
 
149
            }
 
150
          }
 
151
        },
 
152
        from journal {
 
153
          title {
 
154
            jta "Nature",
 
155
            issn "0028-0836"
 
156
          },
 
157
          imp {
 
158
            date std {
 
159
              year 1981
 
160
            },
 
161
            volume "290",
 
162
            pages "107"
 
163
          }
 
164
        }
 
165
      },
 
166
      attribution equiv {
 
167
        article {
 
168
          title {
 
169
            name "Highly ordered crystals of the plant seed protein crambin."
 
170
          },
 
171
          authors {
 
172
            names std {
 
173
              {
 
174
                name name {
 
175
                  last "Teeter",
 
176
                  full "M.M.Teeter",
 
177
                  initials "M.M."
 
178
                }
 
179
              },
 
180
              {
 
181
                name name {
 
182
                  last "Hendrickson",
 
183
                  full "W.A.Hendrickson",
 
184
                  initials "W.A."
 
185
                }
 
186
              }
 
187
            }
 
188
          },
 
189
          from journal {
 
190
            title {
 
191
              iso-jta "J. Mol. Biol.",
 
192
              ml-jta "J Mol Biol",
 
193
              issn "0022-2836",
 
194
              name "Journal of molecular biology"
 
195
            },
 
196
            imp {
 
197
              date std {
 
198
                year 1979,
 
199
                month 1,
 
200
                day 15
 
201
              },
 
202
              volume "127",
 
203
              issue "2",
 
204
              pages "219-223",
 
205
              language "eng",
 
206
              pubstatus ppublish,
 
207
              history {
 
208
                {
 
209
                  pubstatus pubmed,
 
210
                  date std {
 
211
                    year 1979,
 
212
                    month 1,
 
213
                    day 15
 
214
                  }
 
215
                },
 
216
                {
 
217
                  pubstatus medline,
 
218
                  date std {
 
219
                    year 1979,
 
220
                    month 1,
 
221
                    day 15,
 
222
                    hour 0,
 
223
                    minute 1
 
224
                  }
 
225
                }
 
226
              }
 
227
            }
 
228
          },
 
229
          ids {
 
230
            pubmed 430565,
 
231
            pii "0022-2836(79)90242-0"
 
232
          }
 
233
        },
 
234
        pmid 430565
 
235
      }
 
236
    },
 
237
    chemical-graph {
 
238
      descr {
 
239
        name "Water Structure Of A Hydrophobic Protein At Atomic Resolution.
 
240
 Pentagon Rings Of Water Molecules In Crystals Of Crambin",
 
241
        pdb-class "Plant Seed Protein",
 
242
        pdb-source "Mol_id: 1; Organism_scientific: Crambe Abyssinica",
 
243
        pdb-comment "Water Structure Of A Hydrophobic Protein At Atomic
 
244
 Resolution. Pentagon Rings Of Water Molecules In Crystals Of Crambin Plant
 
245
 Seed Protein Mol_id: 1; Molecule: Crambin; Chain: A; Engineered: Yes",
 
246
        assembly-type other
 
247
      },
 
248
      molecule-graphs {
 
249
        {
 
250
          id 1,
 
251
          descr {
 
252
            name "A",
 
253
            pdb-comment "SEQRES",
 
254
            molecule-type protein,
 
255
            organism {
 
256
              org {
 
257
                taxname "Crambe hispanica subsp. abyssinica",
 
258
                db {
 
259
                  {
 
260
                    db "taxon",
 
261
                    tag id 3721
 
262
                  }
 
263
                },
 
264
                syn {
 
265
                  "Crambe hispanica subsp. abyssinica (Hochst. ex R.E.Fr.)
 
266
 Prina",
 
267
                  "Crambe abyssinica Hochst. ex R.E.Fr.",
 
268
                  "Crambe abyssinica",
 
269
                  "Abyssinian crambe",
 
270
                  "Abyssinian kale"
 
271
                },
 
272
                orgname {
 
273
                  name binomial {
 
274
                    genus "Crambe",
 
275
                    species "hispanica",
 
276
                    subspecies "subsp. abyssinica"
 
277
                  },
 
278
                  mod {
 
279
                    {
 
280
                      subtype sub-species,
 
281
                      subname "abyssinica"
 
282
                    }
 
283
                  },
 
284
                  lineage "Eukaryota; Viridiplantae; Streptophyta;
 
285
 Embryophyta; Tracheophyta; Spermatophyta; Magnoliophyta; eudicotyledons; core
 
286
 eudicotyledons; rosids; eurosids II; Brassicales; Brassicaceae; Crambe",
 
287
                  gcode 1,
 
288
                  mgcode 1,
 
289
                  div "PLN"
 
290
                }
 
291
              }
 
292
            }
 
293
          },
 
294
          seq-id gi 157830695,
 
295
          residue-sequence {
 
296
            {
 
297
              id 1,
 
298
              name "   1 ",
 
299
              residue-graph standard {
 
300
                biostruc-residue-graph-set-id other-database {
 
301
                  db "Standard residue dictionary",
 
302
                  tag id 1
 
303
                },
 
304
                residue-graph-id 51
 
305
              }
 
306
            },
 
307
            {
 
308
              id 2,
 
309
              name "   2 ",
 
310
              residue-graph standard {
 
311
                biostruc-residue-graph-set-id other-database {
 
312
                  db "Standard residue dictionary",
 
313
                  tag id 1
 
314
                },
 
315
                residue-graph-id 49
 
316
              }
 
317
            },
 
318
            {
 
319
              id 3,
 
320
              name "   3 ",
 
321
              residue-graph standard {
 
322
                biostruc-residue-graph-set-id other-database {
 
323
                  db "Standard residue dictionary",
 
324
                  tag id 1
 
325
                },
 
326
                residue-graph-id 13
 
327
              }
 
328
            },
 
329
            {
 
330
              id 4,
 
331
              name "   4 ",
 
332
              residue-graph standard {
 
333
                biostruc-residue-graph-set-id other-database {
 
334
                  db "Standard residue dictionary",
 
335
                  tag id 1
 
336
                },
 
337
                residue-graph-id 13
 
338
              }
 
339
            },
 
340
            {
 
341
              id 5,
 
342
              name "   5 ",
 
343
              residue-graph standard {
 
344
                biostruc-residue-graph-set-id other-database {
 
345
                  db "Standard residue dictionary",
 
346
                  tag id 1
 
347
                },
 
348
                residue-graph-id 43
 
349
              }
 
350
            },
 
351
            {
 
352
              id 6,
 
353
              name "   6 ",
 
354
              residue-graph standard {
 
355
                biostruc-residue-graph-set-id other-database {
 
356
                  db "Standard residue dictionary",
 
357
                  tag id 1
 
358
                },
 
359
                residue-graph-id 46
 
360
              }
 
361
            },
 
362
            {
 
363
              id 7,
 
364
              name "   7 ",
 
365
              residue-graph standard {
 
366
                biostruc-residue-graph-set-id other-database {
 
367
                  db "Standard residue dictionary",
 
368
                  tag id 1
 
369
                },
 
370
                residue-graph-id 28
 
371
              }
 
372
            },
 
373
            {
 
374
              id 8,
 
375
              name "   8 ",
 
376
              residue-graph standard {
 
377
                biostruc-residue-graph-set-id other-database {
 
378
                  db "Standard residue dictionary",
 
379
                  tag id 1
 
380
                },
 
381
                residue-graph-id 58
 
382
              }
 
383
            },
 
384
            {
 
385
              id 9,
 
386
              name "   9 ",
 
387
              residue-graph standard {
 
388
                biostruc-residue-graph-set-id other-database {
 
389
                  db "Standard residue dictionary",
 
390
                  tag id 1
 
391
                },
 
392
                residue-graph-id 1
 
393
              }
 
394
            },
 
395
            {
 
396
              id 10,
 
397
              name "  10 ",
 
398
              residue-graph standard {
 
399
                biostruc-residue-graph-set-id other-database {
 
400
                  db "Standard residue dictionary",
 
401
                  tag id 1
 
402
                },
 
403
                residue-graph-id 4
 
404
              }
 
405
            },
 
406
            {
 
407
              id 11,
 
408
              name "  11 ",
 
409
              residue-graph standard {
 
410
                biostruc-residue-graph-set-id other-database {
 
411
                  db "Standard residue dictionary",
 
412
                  tag id 1
 
413
                },
 
414
                residue-graph-id 46
 
415
              }
 
416
            },
 
417
            {
 
418
              id 12,
 
419
              name "  12 ",
 
420
              residue-graph standard {
 
421
                biostruc-residue-graph-set-id other-database {
 
422
                  db "Standard residue dictionary",
 
423
                  tag id 1
 
424
                },
 
425
                residue-graph-id 7
 
426
              }
 
427
            },
 
428
            {
 
429
              id 13,
 
430
              name "  13 ",
 
431
              residue-graph standard {
 
432
                biostruc-residue-graph-set-id other-database {
 
433
                  db "Standard residue dictionary",
 
434
                  tag id 1
 
435
                },
 
436
                residue-graph-id 40
 
437
              }
 
438
            },
 
439
            {
 
440
              id 14,
 
441
              name "  14 ",
 
442
              residue-graph standard {
 
443
                biostruc-residue-graph-set-id other-database {
 
444
                  db "Standard residue dictionary",
 
445
                  tag id 1
 
446
                },
 
447
                residue-graph-id 7
 
448
              }
 
449
            },
 
450
            {
 
451
              id 15,
 
452
              name "  15 ",
 
453
              residue-graph standard {
 
454
                biostruc-residue-graph-set-id other-database {
 
455
                  db "Standard residue dictionary",
 
456
                  tag id 1
 
457
                },
 
458
                residue-graph-id 58
 
459
              }
 
460
            },
 
461
            {
 
462
              id 16,
 
463
              name "  16 ",
 
464
              residue-graph standard {
 
465
                biostruc-residue-graph-set-id other-database {
 
466
                  db "Standard residue dictionary",
 
467
                  tag id 1
 
468
                },
 
469
                residue-graph-id 13
 
470
              }
 
471
            },
 
472
            {
 
473
              id 17,
 
474
              name "  17 ",
 
475
              residue-graph standard {
 
476
                biostruc-residue-graph-set-id other-database {
 
477
                  db "Standard residue dictionary",
 
478
                  tag id 1
 
479
                },
 
480
                residue-graph-id 4
 
481
              }
 
482
            },
 
483
            {
 
484
              id 18,
 
485
              name "  18 ",
 
486
              residue-graph standard {
 
487
                biostruc-residue-graph-set-id other-database {
 
488
                  db "Standard residue dictionary",
 
489
                  tag id 1
 
490
                },
 
491
                residue-graph-id 31
 
492
              }
 
493
            },
 
494
            {
 
495
              id 19,
 
496
              name "  19 ",
 
497
              residue-graph standard {
 
498
                biostruc-residue-graph-set-id other-database {
 
499
                  db "Standard residue dictionary",
 
500
                  tag id 1
 
501
                },
 
502
                residue-graph-id 43
 
503
              }
 
504
            },
 
505
            {
 
506
              id 20,
 
507
              name "  20 ",
 
508
              residue-graph standard {
 
509
                biostruc-residue-graph-set-id other-database {
 
510
                  db "Standard residue dictionary",
 
511
                  tag id 1
 
512
                },
 
513
                residue-graph-id 22
 
514
              }
 
515
            },
 
516
            {
 
517
              id 21,
 
518
              name "  21 ",
 
519
              residue-graph standard {
 
520
                biostruc-residue-graph-set-id other-database {
 
521
                  db "Standard residue dictionary",
 
522
                  tag id 1
 
523
                },
 
524
                residue-graph-id 49
 
525
              }
 
526
            },
 
527
            {
 
528
              id 22,
 
529
              name "  22 ",
 
530
              residue-graph standard {
 
531
                biostruc-residue-graph-set-id other-database {
 
532
                  db "Standard residue dictionary",
 
533
                  tag id 1
 
534
                },
 
535
                residue-graph-id 43
 
536
              }
 
537
            },
 
538
            {
 
539
              id 23,
 
540
              name "  23 ",
 
541
              residue-graph standard {
 
542
                biostruc-residue-graph-set-id other-database {
 
543
                  db "Standard residue dictionary",
 
544
                  tag id 1
 
545
                },
 
546
                residue-graph-id 19
 
547
              }
 
548
            },
 
549
            {
 
550
              id 24,
 
551
              name "  24 ",
 
552
              residue-graph standard {
 
553
                biostruc-residue-graph-set-id other-database {
 
554
                  db "Standard residue dictionary",
 
555
                  tag id 1
 
556
                },
 
557
                residue-graph-id 1
 
558
              }
 
559
            },
 
560
            {
 
561
              id 25,
 
562
              name "  25 ",
 
563
              residue-graph standard {
 
564
                biostruc-residue-graph-set-id other-database {
 
565
                  db "Standard residue dictionary",
 
566
                  tag id 1
 
567
                },
 
568
                residue-graph-id 28
 
569
              }
 
570
            },
 
571
            {
 
572
              id 26,
 
573
              name "  26 ",
 
574
              residue-graph standard {
 
575
                biostruc-residue-graph-set-id other-database {
 
576
                  db "Standard residue dictionary",
 
577
                  tag id 1
 
578
                },
 
579
                residue-graph-id 13
 
580
              }
 
581
            },
 
582
            {
 
583
              id 27,
 
584
              name "  27 ",
 
585
              residue-graph standard {
 
586
                biostruc-residue-graph-set-id other-database {
 
587
                  db "Standard residue dictionary",
 
588
                  tag id 1
 
589
                },
 
590
                residue-graph-id 1
 
591
              }
 
592
            },
 
593
            {
 
594
              id 28,
 
595
              name "  28 ",
 
596
              residue-graph standard {
 
597
                biostruc-residue-graph-set-id other-database {
 
598
                  db "Standard residue dictionary",
 
599
                  tag id 1
 
600
                },
 
601
                residue-graph-id 49
 
602
              }
 
603
            },
 
604
            {
 
605
              id 29,
 
606
              name "  29 ",
 
607
              residue-graph standard {
 
608
                biostruc-residue-graph-set-id other-database {
 
609
                  db "Standard residue dictionary",
 
610
                  tag id 1
 
611
                },
 
612
                residue-graph-id 55
 
613
              }
 
614
            },
 
615
            {
 
616
              id 30,
 
617
              name "  30 ",
 
618
              residue-graph standard {
 
619
                biostruc-residue-graph-set-id other-database {
 
620
                  db "Standard residue dictionary",
 
621
                  tag id 1
 
622
                },
 
623
                residue-graph-id 49
 
624
              }
 
625
            },
 
626
            {
 
627
              id 31,
 
628
              name "  31 ",
 
629
              residue-graph standard {
 
630
                biostruc-residue-graph-set-id other-database {
 
631
                  db "Standard residue dictionary",
 
632
                  tag id 1
 
633
                },
 
634
                residue-graph-id 22
 
635
              }
 
636
            },
 
637
            {
 
638
              id 32,
 
639
              name "  32 ",
 
640
              residue-graph standard {
 
641
                biostruc-residue-graph-set-id other-database {
 
642
                  db "Standard residue dictionary",
 
643
                  tag id 1
 
644
                },
 
645
                residue-graph-id 13
 
646
              }
 
647
            },
 
648
            {
 
649
              id 33,
 
650
              name "  33 ",
 
651
              residue-graph standard {
 
652
                biostruc-residue-graph-set-id other-database {
 
653
                  db "Standard residue dictionary",
 
654
                  tag id 1
 
655
                },
 
656
                residue-graph-id 28
 
657
              }
 
658
            },
 
659
            {
 
660
              id 34,
 
661
              name "  34 ",
 
662
              residue-graph standard {
 
663
                biostruc-residue-graph-set-id other-database {
 
664
                  db "Standard residue dictionary",
 
665
                  tag id 1
 
666
                },
 
667
                residue-graph-id 28
 
668
              }
 
669
            },
 
670
            {
 
671
              id 35,
 
672
              name "  35 ",
 
673
              residue-graph standard {
 
674
                biostruc-residue-graph-set-id other-database {
 
675
                  db "Standard residue dictionary",
 
676
                  tag id 1
 
677
                },
 
678
                residue-graph-id 28
 
679
              }
 
680
            },
 
681
            {
 
682
              id 36,
 
683
              name "  36 ",
 
684
              residue-graph standard {
 
685
                biostruc-residue-graph-set-id other-database {
 
686
                  db "Standard residue dictionary",
 
687
                  tag id 1
 
688
                },
 
689
                residue-graph-id 43
 
690
              }
 
691
            },
 
692
            {
 
693
              id 37,
 
694
              name "  37 ",
 
695
              residue-graph standard {
 
696
                biostruc-residue-graph-set-id other-database {
 
697
                  db "Standard residue dictionary",
 
698
                  tag id 1
 
699
                },
 
700
                residue-graph-id 22
 
701
              }
 
702
            },
 
703
            {
 
704
              id 38,
 
705
              name "  38 ",
 
706
              residue-graph standard {
 
707
                biostruc-residue-graph-set-id other-database {
 
708
                  db "Standard residue dictionary",
 
709
                  tag id 1
 
710
                },
 
711
                residue-graph-id 1
 
712
              }
 
713
            },
 
714
            {
 
715
              id 39,
 
716
              name "  39 ",
 
717
              residue-graph standard {
 
718
                biostruc-residue-graph-set-id other-database {
 
719
                  db "Standard residue dictionary",
 
720
                  tag id 1
 
721
                },
 
722
                residue-graph-id 49
 
723
              }
 
724
            },
 
725
            {
 
726
              id 40,
 
727
              name "  40 ",
 
728
              residue-graph standard {
 
729
                biostruc-residue-graph-set-id other-database {
 
730
                  db "Standard residue dictionary",
 
731
                  tag id 1
 
732
                },
 
733
                residue-graph-id 13
 
734
              }
 
735
            },
 
736
            {
 
737
              id 41,
 
738
              name "  41 ",
 
739
              residue-graph standard {
 
740
                biostruc-residue-graph-set-id other-database {
 
741
                  db "Standard residue dictionary",
 
742
                  tag id 1
 
743
                },
 
744
                residue-graph-id 43
 
745
              }
 
746
            },
 
747
            {
 
748
              id 42,
 
749
              name "  42 ",
 
750
              residue-graph standard {
 
751
                biostruc-residue-graph-set-id other-database {
 
752
                  db "Standard residue dictionary",
 
753
                  tag id 1
 
754
                },
 
755
                residue-graph-id 22
 
756
              }
 
757
            },
 
758
            {
 
759
              id 43,
 
760
              name "  43 ",
 
761
              residue-graph standard {
 
762
                biostruc-residue-graph-set-id other-database {
 
763
                  db "Standard residue dictionary",
 
764
                  tag id 1
 
765
                },
 
766
                residue-graph-id 10
 
767
              }
 
768
            },
 
769
            {
 
770
              id 44,
 
771
              name "  44 ",
 
772
              residue-graph standard {
 
773
                biostruc-residue-graph-set-id other-database {
 
774
                  db "Standard residue dictionary",
 
775
                  tag id 1
 
776
                },
 
777
                residue-graph-id 55
 
778
              }
 
779
            },
 
780
            {
 
781
              id 45,
 
782
              name "  45 ",
 
783
              residue-graph standard {
 
784
                biostruc-residue-graph-set-id other-database {
 
785
                  db "Standard residue dictionary",
 
786
                  tag id 1
 
787
                },
 
788
                residue-graph-id 1
 
789
              }
 
790
            },
 
791
            {
 
792
              id 46,
 
793
              name "  46 ",
 
794
              residue-graph standard {
 
795
                biostruc-residue-graph-set-id other-database {
 
796
                  db "Standard residue dictionary",
 
797
                  tag id 1
 
798
                },
 
799
                residue-graph-id 8
 
800
              }
 
801
            }
 
802
          },
 
803
          inter-residue-bonds {
 
804
            {
 
805
              atom-id-1 {
 
806
                molecule-id 1,
 
807
                residue-id 1,
 
808
                atom-id 1
 
809
              },
 
810
              atom-id-2 {
 
811
                molecule-id 1,
 
812
                residue-id 2,
 
813
                atom-id 9
 
814
              }
 
815
            },
 
816
            {
 
817
              atom-id-1 {
 
818
                molecule-id 1,
 
819
                residue-id 2,
 
820
                atom-id 1
 
821
              },
 
822
              atom-id-2 {
 
823
                molecule-id 1,
 
824
                residue-id 3,
 
825
                atom-id 7
 
826
              }
 
827
            },
 
828
            {
 
829
              atom-id-1 {
 
830
                molecule-id 1,
 
831
                residue-id 3,
 
832
                atom-id 1
 
833
              },
 
834
              atom-id-2 {
 
835
                molecule-id 1,
 
836
                residue-id 4,
 
837
                atom-id 7
 
838
              }
 
839
            },
 
840
            {
 
841
              atom-id-1 {
 
842
                molecule-id 1,
 
843
                residue-id 4,
 
844
                atom-id 1
 
845
              },
 
846
              atom-id-2 {
 
847
                molecule-id 1,
 
848
                residue-id 5,
 
849
                atom-id 7
 
850
              }
 
851
            },
 
852
            {
 
853
              atom-id-1 {
 
854
                molecule-id 1,
 
855
                residue-id 5,
 
856
                atom-id 1
 
857
              },
 
858
              atom-id-2 {
 
859
                molecule-id 1,
 
860
                residue-id 6,
 
861
                atom-id 7
 
862
              }
 
863
            },
 
864
            {
 
865
              atom-id-1 {
 
866
                molecule-id 1,
 
867
                residue-id 6,
 
868
                atom-id 1
 
869
              },
 
870
              atom-id-2 {
 
871
                molecule-id 1,
 
872
                residue-id 7,
 
873
                atom-id 10
 
874
              }
 
875
            },
 
876
            {
 
877
              atom-id-1 {
 
878
                molecule-id 1,
 
879
                residue-id 7,
 
880
                atom-id 1
 
881
              },
 
882
              atom-id-2 {
 
883
                molecule-id 1,
 
884
                residue-id 8,
 
885
                atom-id 9
 
886
              }
 
887
            },
 
888
            {
 
889
              atom-id-1 {
 
890
                molecule-id 1,
 
891
                residue-id 8,
 
892
                atom-id 1
 
893
              },
 
894
              atom-id-2 {
 
895
                molecule-id 1,
 
896
                residue-id 9,
 
897
                atom-id 6
 
898
              }
 
899
            },
 
900
            {
 
901
              atom-id-1 {
 
902
                molecule-id 1,
 
903
                residue-id 9,
 
904
                atom-id 1
 
905
              },
 
906
              atom-id-2 {
 
907
                molecule-id 1,
 
908
                residue-id 10,
 
909
                atom-id 10
 
910
              }
 
911
            },
 
912
            {
 
913
              atom-id-1 {
 
914
                molecule-id 1,
 
915
                residue-id 10,
 
916
                atom-id 1
 
917
              },
 
918
              atom-id-2 {
 
919
                molecule-id 1,
 
920
                residue-id 11,
 
921
                atom-id 7
 
922
              }
 
923
            },
 
924
            {
 
925
              atom-id-1 {
 
926
                molecule-id 1,
 
927
                residue-id 11,
 
928
                atom-id 1
 
929
              },
 
930
              atom-id-2 {
 
931
                molecule-id 1,
 
932
                residue-id 12,
 
933
                atom-id 7
 
934
              }
 
935
            },
 
936
            {
 
937
              atom-id-1 {
 
938
                molecule-id 1,
 
939
                residue-id 12,
 
940
                atom-id 1
 
941
              },
 
942
              atom-id-2 {
 
943
                molecule-id 1,
 
944
                residue-id 13,
 
945
                atom-id 17
 
946
              }
 
947
            },
 
948
            {
 
949
              atom-id-1 {
 
950
                molecule-id 1,
 
951
                residue-id 13,
 
952
                atom-id 1
 
953
              },
 
954
              atom-id-2 {
 
955
                molecule-id 1,
 
956
                residue-id 14,
 
957
                atom-id 7
 
958
              }
 
959
            },
 
960
            {
 
961
              atom-id-1 {
 
962
                molecule-id 1,
 
963
                residue-id 14,
 
964
                atom-id 1
 
965
              },
 
966
              atom-id-2 {
 
967
                molecule-id 1,
 
968
                residue-id 15,
 
969
                atom-id 9
 
970
              }
 
971
            },
 
972
            {
 
973
              atom-id-1 {
 
974
                molecule-id 1,
 
975
                residue-id 15,
 
976
                atom-id 1
 
977
              },
 
978
              atom-id-2 {
 
979
                molecule-id 1,
 
980
                residue-id 16,
 
981
                atom-id 7
 
982
              }
 
983
            },
 
984
            {
 
985
              atom-id-1 {
 
986
                molecule-id 1,
 
987
                residue-id 16,
 
988
                atom-id 1
 
989
              },
 
990
              atom-id-2 {
 
991
                molecule-id 1,
 
992
                residue-id 17,
 
993
                atom-id 10
 
994
              }
 
995
            },
 
996
            {
 
997
              atom-id-1 {
 
998
                molecule-id 1,
 
999
                residue-id 17,
 
1000
                atom-id 1
 
1001
              },
 
1002
              atom-id-2 {
 
1003
                molecule-id 1,
 
1004
                residue-id 18,
 
1005
                atom-id 10
 
1006
              }
 
1007
            },
 
1008
            {
 
1009
              atom-id-1 {
 
1010
                molecule-id 1,
 
1011
                residue-id 18,
 
1012
                atom-id 1
 
1013
              },
 
1014
              atom-id-2 {
 
1015
                molecule-id 1,
 
1016
                residue-id 19,
 
1017
                atom-id 7
 
1018
              }
 
1019
            },
 
1020
            {
 
1021
              atom-id-1 {
 
1022
                molecule-id 1,
 
1023
                residue-id 19,
 
1024
                atom-id 1
 
1025
              },
 
1026
              atom-id-2 {
 
1027
                molecule-id 1,
 
1028
                residue-id 20,
 
1029
                atom-id 4
 
1030
              }
 
1031
            },
 
1032
            {
 
1033
              atom-id-1 {
 
1034
                molecule-id 1,
 
1035
                residue-id 20,
 
1036
                atom-id 1
 
1037
              },
 
1038
              atom-id-2 {
 
1039
                molecule-id 1,
 
1040
                residue-id 21,
 
1041
                atom-id 9
 
1042
              }
 
1043
            },
 
1044
            {
 
1045
              atom-id-1 {
 
1046
                molecule-id 1,
 
1047
                residue-id 21,
 
1048
                atom-id 1
 
1049
              },
 
1050
              atom-id-2 {
 
1051
                molecule-id 1,
 
1052
                residue-id 22,
 
1053
                atom-id 7
 
1054
              }
 
1055
            },
 
1056
            {
 
1057
              atom-id-1 {
 
1058
                molecule-id 1,
 
1059
                residue-id 22,
 
1060
                atom-id 1
 
1061
              },
 
1062
              atom-id-2 {
 
1063
                molecule-id 1,
 
1064
                residue-id 23,
 
1065
                atom-id 10
 
1066
              }
 
1067
            },
 
1068
            {
 
1069
              atom-id-1 {
 
1070
                molecule-id 1,
 
1071
                residue-id 23,
 
1072
                atom-id 1
 
1073
              },
 
1074
              atom-id-2 {
 
1075
                molecule-id 1,
 
1076
                residue-id 24,
 
1077
                atom-id 6
 
1078
              }
 
1079
            },
 
1080
            {
 
1081
              atom-id-1 {
 
1082
                molecule-id 1,
 
1083
                residue-id 24,
 
1084
                atom-id 1
 
1085
              },
 
1086
              atom-id-2 {
 
1087
                molecule-id 1,
 
1088
                residue-id 25,
 
1089
                atom-id 10
 
1090
              }
 
1091
            },
 
1092
            {
 
1093
              atom-id-1 {
 
1094
                molecule-id 1,
 
1095
                residue-id 25,
 
1096
                atom-id 1
 
1097
              },
 
1098
              atom-id-2 {
 
1099
                molecule-id 1,
 
1100
                residue-id 26,
 
1101
                atom-id 7
 
1102
              }
 
1103
            },
 
1104
            {
 
1105
              atom-id-1 {
 
1106
                molecule-id 1,
 
1107
                residue-id 26,
 
1108
                atom-id 1
 
1109
              },
 
1110
              atom-id-2 {
 
1111
                molecule-id 1,
 
1112
                residue-id 27,
 
1113
                atom-id 6
 
1114
              }
 
1115
            },
 
1116
            {
 
1117
              atom-id-1 {
 
1118
                molecule-id 1,
 
1119
                residue-id 27,
 
1120
                atom-id 1
 
1121
              },
 
1122
              atom-id-2 {
 
1123
                molecule-id 1,
 
1124
                residue-id 28,
 
1125
                atom-id 9
 
1126
              }
 
1127
            },
 
1128
            {
 
1129
              atom-id-1 {
 
1130
                molecule-id 1,
 
1131
                residue-id 28,
 
1132
                atom-id 1
 
1133
              },
 
1134
              atom-id-2 {
 
1135
                molecule-id 1,
 
1136
                residue-id 29,
 
1137
                atom-id 17
 
1138
              }
 
1139
            },
 
1140
            {
 
1141
              atom-id-1 {
 
1142
                molecule-id 1,
 
1143
                residue-id 29,
 
1144
                atom-id 1
 
1145
              },
 
1146
              atom-id-2 {
 
1147
                molecule-id 1,
 
1148
                residue-id 30,
 
1149
                atom-id 9
 
1150
              }
 
1151
            },
 
1152
            {
 
1153
              atom-id-1 {
 
1154
                molecule-id 1,
 
1155
                residue-id 30,
 
1156
                atom-id 1
 
1157
              },
 
1158
              atom-id-2 {
 
1159
                molecule-id 1,
 
1160
                residue-id 31,
 
1161
                atom-id 4
 
1162
              }
 
1163
            },
 
1164
            {
 
1165
              atom-id-1 {
 
1166
                molecule-id 1,
 
1167
                residue-id 31,
 
1168
                atom-id 1
 
1169
              },
 
1170
              atom-id-2 {
 
1171
                molecule-id 1,
 
1172
                residue-id 32,
 
1173
                atom-id 7
 
1174
              }
 
1175
            },
 
1176
            {
 
1177
              atom-id-1 {
 
1178
                molecule-id 1,
 
1179
                residue-id 32,
 
1180
                atom-id 1
 
1181
              },
 
1182
              atom-id-2 {
 
1183
                molecule-id 1,
 
1184
                residue-id 33,
 
1185
                atom-id 10
 
1186
              }
 
1187
            },
 
1188
            {
 
1189
              atom-id-1 {
 
1190
                molecule-id 1,
 
1191
                residue-id 33,
 
1192
                atom-id 1
 
1193
              },
 
1194
              atom-id-2 {
 
1195
                molecule-id 1,
 
1196
                residue-id 34,
 
1197
                atom-id 10
 
1198
              }
 
1199
            },
 
1200
            {
 
1201
              atom-id-1 {
 
1202
                molecule-id 1,
 
1203
                residue-id 34,
 
1204
                atom-id 1
 
1205
              },
 
1206
              atom-id-2 {
 
1207
                molecule-id 1,
 
1208
                residue-id 35,
 
1209
                atom-id 10
 
1210
              }
 
1211
            },
 
1212
            {
 
1213
              atom-id-1 {
 
1214
                molecule-id 1,
 
1215
                residue-id 35,
 
1216
                atom-id 1
 
1217
              },
 
1218
              atom-id-2 {
 
1219
                molecule-id 1,
 
1220
                residue-id 36,
 
1221
                atom-id 7
 
1222
              }
 
1223
            },
 
1224
            {
 
1225
              atom-id-1 {
 
1226
                molecule-id 1,
 
1227
                residue-id 36,
 
1228
                atom-id 1
 
1229
              },
 
1230
              atom-id-2 {
 
1231
                molecule-id 1,
 
1232
                residue-id 37,
 
1233
                atom-id 4
 
1234
              }
 
1235
            },
 
1236
            {
 
1237
              atom-id-1 {
 
1238
                molecule-id 1,
 
1239
                residue-id 37,
 
1240
                atom-id 1
 
1241
              },
 
1242
              atom-id-2 {
 
1243
                molecule-id 1,
 
1244
                residue-id 38,
 
1245
                atom-id 6
 
1246
              }
 
1247
            },
 
1248
            {
 
1249
              atom-id-1 {
 
1250
                molecule-id 1,
 
1251
                residue-id 38,
 
1252
                atom-id 1
 
1253
              },
 
1254
              atom-id-2 {
 
1255
                molecule-id 1,
 
1256
                residue-id 39,
 
1257
                atom-id 9
 
1258
              }
 
1259
            },
 
1260
            {
 
1261
              atom-id-1 {
 
1262
                molecule-id 1,
 
1263
                residue-id 39,
 
1264
                atom-id 1
 
1265
              },
 
1266
              atom-id-2 {
 
1267
                molecule-id 1,
 
1268
                residue-id 40,
 
1269
                atom-id 7
 
1270
              }
 
1271
            },
 
1272
            {
 
1273
              atom-id-1 {
 
1274
                molecule-id 1,
 
1275
                residue-id 40,
 
1276
                atom-id 1
 
1277
              },
 
1278
              atom-id-2 {
 
1279
                molecule-id 1,
 
1280
                residue-id 41,
 
1281
                atom-id 7
 
1282
              }
 
1283
            },
 
1284
            {
 
1285
              atom-id-1 {
 
1286
                molecule-id 1,
 
1287
                residue-id 41,
 
1288
                atom-id 1
 
1289
              },
 
1290
              atom-id-2 {
 
1291
                molecule-id 1,
 
1292
                residue-id 42,
 
1293
                atom-id 4
 
1294
              }
 
1295
            },
 
1296
            {
 
1297
              atom-id-1 {
 
1298
                molecule-id 1,
 
1299
                residue-id 42,
 
1300
                atom-id 1
 
1301
              },
 
1302
              atom-id-2 {
 
1303
                molecule-id 1,
 
1304
                residue-id 43,
 
1305
                atom-id 9
 
1306
              }
 
1307
            },
 
1308
            {
 
1309
              atom-id-1 {
 
1310
                molecule-id 1,
 
1311
                residue-id 43,
 
1312
                atom-id 1
 
1313
              },
 
1314
              atom-id-2 {
 
1315
                molecule-id 1,
 
1316
                residue-id 44,
 
1317
                atom-id 17
 
1318
              }
 
1319
            },
 
1320
            {
 
1321
              atom-id-1 {
 
1322
                molecule-id 1,
 
1323
                residue-id 44,
 
1324
                atom-id 1
 
1325
              },
 
1326
              atom-id-2 {
 
1327
                molecule-id 1,
 
1328
                residue-id 45,
 
1329
                atom-id 6
 
1330
              }
 
1331
            },
 
1332
            {
 
1333
              atom-id-1 {
 
1334
                molecule-id 1,
 
1335
                residue-id 45,
 
1336
                atom-id 1
 
1337
              },
 
1338
              atom-id-2 {
 
1339
                molecule-id 1,
 
1340
                residue-id 46,
 
1341
                atom-id 7
 
1342
              }
 
1343
            },
 
1344
            {
 
1345
              atom-id-1 {
 
1346
                molecule-id 1,
 
1347
                residue-id 3,
 
1348
                atom-id 9
 
1349
              },
 
1350
              atom-id-2 {
 
1351
                molecule-id 1,
 
1352
                residue-id 40,
 
1353
                atom-id 9
 
1354
              }
 
1355
            },
 
1356
            {
 
1357
              atom-id-1 {
 
1358
                molecule-id 1,
 
1359
                residue-id 4,
 
1360
                atom-id 9
 
1361
              },
 
1362
              atom-id-2 {
 
1363
                molecule-id 1,
 
1364
                residue-id 32,
 
1365
                atom-id 9
 
1366
              }
 
1367
            },
 
1368
            {
 
1369
              atom-id-1 {
 
1370
                molecule-id 1,
 
1371
                residue-id 16,
 
1372
                atom-id 9
 
1373
              },
 
1374
              atom-id-2 {
 
1375
                molecule-id 1,
 
1376
                residue-id 26,
 
1377
                atom-id 9
 
1378
              }
 
1379
            }
 
1380
          }
 
1381
        }
 
1382
      }
 
1383
    },
 
1384
    features {
 
1385
      {
 
1386
        id 1,
 
1387
        descr {
 
1388
          name "PDB secondary structure"
 
1389
        },
 
1390
        features {
 
1391
          {
 
1392
            id 1,
 
1393
            name " H1",
 
1394
            type helix,
 
1395
            location subgraph residues interval {
 
1396
              {
 
1397
                molecule-id 1,
 
1398
                from 7,
 
1399
                to 19
 
1400
              }
 
1401
            }
 
1402
          },
 
1403
          {
 
1404
            id 2,
 
1405
            name " H2",
 
1406
            type helix,
 
1407
            location subgraph residues interval {
 
1408
              {
 
1409
                molecule-id 1,
 
1410
                from 23,
 
1411
                to 30
 
1412
              }
 
1413
            }
 
1414
          },
 
1415
          {
 
1416
            id 3,
 
1417
            name " S1 1",
 
1418
            type strand,
 
1419
            location subgraph residues interval {
 
1420
              {
 
1421
                molecule-id 1,
 
1422
                from 1,
 
1423
                to 4
 
1424
              }
 
1425
            }
 
1426
          },
 
1427
          {
 
1428
            id 4,
 
1429
            name " S1 2",
 
1430
            type strand,
 
1431
            location subgraph residues interval {
 
1432
              {
 
1433
                molecule-id 1,
 
1434
                from 32,
 
1435
                to 35
 
1436
              }
 
1437
            }
 
1438
          },
 
1439
          {
 
1440
            id 5,
 
1441
            name " T1",
 
1442
            type turn,
 
1443
            location subgraph residues interval {
 
1444
              {
 
1445
                molecule-id 1,
 
1446
                from 41,
 
1447
                to 44
 
1448
              }
 
1449
            }
 
1450
          }
 
1451
        }
 
1452
      },
 
1453
      {
 
1454
        id 2,
 
1455
        descr {
 
1456
          name "NCBI assigned secondary structure"
 
1457
        },
 
1458
        features {
 
1459
          {
 
1460
            id 1,
 
1461
            name "helix 1",
 
1462
            type helix,
 
1463
            location subgraph residues interval {
 
1464
              {
 
1465
                molecule-id 1,
 
1466
                from 7,
 
1467
                to 17
 
1468
              }
 
1469
            }
 
1470
          },
 
1471
          {
 
1472
            id 2,
 
1473
            name "helix 2",
 
1474
            type helix,
 
1475
            location subgraph residues interval {
 
1476
              {
 
1477
                molecule-id 1,
 
1478
                from 23,
 
1479
                to 31
 
1480
              }
 
1481
            }
 
1482
          },
 
1483
          {
 
1484
            id 3,
 
1485
            name "strand 1",
 
1486
            type strand,
 
1487
            location subgraph residues interval {
 
1488
              {
 
1489
                molecule-id 1,
 
1490
                from 1,
 
1491
                to 4
 
1492
              }
 
1493
            }
 
1494
          },
 
1495
          {
 
1496
            id 4,
 
1497
            name "strand 2",
 
1498
            type strand,
 
1499
            location subgraph residues interval {
 
1500
              {
 
1501
                molecule-id 1,
 
1502
                from 32,
 
1503
                to 35
 
1504
              }
 
1505
            }
 
1506
          }
 
1507
        }
 
1508
      }
 
1509
    },
 
1510
    model {
 
1511
      {
 
1512
        id 3,
 
1513
        type ncbi-all-atom,
 
1514
        descr {
 
1515
          name "Single-coordinate-per-atom model from PDB entry 1CRN with a
 
1516
 vector model attached",
 
1517
          pdb-reso "Resolution: 1.5",
 
1518
          pdb-method "X-Ray Diffraction",
 
1519
          pdb-comment "APR 16 87 Typographical~MAR 4 85 Typographical~SEP 30
 
1520
 83 Typographical~DEC 3 81 Typographical~JUL 28 81 Initial Entry"
 
1521
        },
 
1522
        model-space {
 
1523
          coordinate-units angstroms,
 
1524
          thermal-factor-units b
 
1525
        },
 
1526
        model-coordinates {
 
1527
          {
 
1528
            id 1,
 
1529
            coordinates literal atomic {
 
1530
              number-of-points 327,
 
1531
              atoms {
 
1532
                number-of-ptrs 327,
 
1533
                molecule-ids {
 
1534
                  1,
 
1535
                  1,
 
1536
                  1,
 
1537
                  1,
 
1538
                  1,
 
1539
                  1,
 
1540
                  1,
 
1541
                  1,
 
1542
                  1,
 
1543
                  1,
 
1544
                  1,
 
1545
                  1,
 
1546
                  1,
 
1547
                  1,
 
1548
                  1,
 
1549
                  1,
 
1550
                  1,
 
1551
                  1,
 
1552
                  1,
 
1553
                  1,
 
1554
                  1,
 
1555
                  1,
 
1556
                  1,
 
1557
                  1,
 
1558
                  1,
 
1559
                  1,
 
1560
                  1,
 
1561
                  1,
 
1562
                  1,
 
1563
                  1,
 
1564
                  1,
 
1565
                  1,
 
1566
                  1,
 
1567
                  1,
 
1568
                  1,
 
1569
                  1,
 
1570
                  1,
 
1571
                  1,
 
1572
                  1,
 
1573
                  1,
 
1574
                  1,
 
1575
                  1,
 
1576
                  1,
 
1577
                  1,
 
1578
                  1,
 
1579
                  1,
 
1580
                  1,
 
1581
                  1,
 
1582
                  1,
 
1583
                  1,
 
1584
                  1,
 
1585
                  1,
 
1586
                  1,
 
1587
                  1,
 
1588
                  1,
 
1589
                  1,
 
1590
                  1,
 
1591
                  1,
 
1592
                  1,
 
1593
                  1,
 
1594
                  1,
 
1595
                  1,
 
1596
                  1,
 
1597
                  1,
 
1598
                  1,
 
1599
                  1,
 
1600
                  1,
 
1601
                  1,
 
1602
                  1,
 
1603
                  1,
 
1604
                  1,
 
1605
                  1,
 
1606
                  1,
 
1607
                  1,
 
1608
                  1,
 
1609
                  1,
 
1610
                  1,
 
1611
                  1,
 
1612
                  1,
 
1613
                  1,
 
1614
                  1,
 
1615
                  1,
 
1616
                  1,
 
1617
                  1,
 
1618
                  1,
 
1619
                  1,
 
1620
                  1,
 
1621
                  1,
 
1622
                  1,
 
1623
                  1,
 
1624
                  1,
 
1625
                  1,
 
1626
                  1,
 
1627
                  1,
 
1628
                  1,
 
1629
                  1,
 
1630
                  1,
 
1631
                  1,
 
1632
                  1,
 
1633
                  1,
 
1634
                  1,
 
1635
                  1,
 
1636
                  1,
 
1637
                  1,
 
1638
                  1,
 
1639
                  1,
 
1640
                  1,
 
1641
                  1,
 
1642
                  1,
 
1643
                  1,
 
1644
                  1,
 
1645
                  1,
 
1646
                  1,
 
1647
                  1,
 
1648
                  1,
 
1649
                  1,
 
1650
                  1,
 
1651
                  1,
 
1652
                  1,
 
1653
                  1,
 
1654
                  1,
 
1655
                  1,
 
1656
                  1,
 
1657
                  1,
 
1658
                  1,
 
1659
                  1,
 
1660
                  1,
 
1661
                  1,
 
1662
                  1,
 
1663
                  1,
 
1664
                  1,
 
1665
                  1,
 
1666
                  1,
 
1667
                  1,
 
1668
                  1,
 
1669
                  1,
 
1670
                  1,
 
1671
                  1,
 
1672
                  1,
 
1673
                  1,
 
1674
                  1,
 
1675
                  1,
 
1676
                  1,
 
1677
                  1,
 
1678
                  1,
 
1679
                  1,
 
1680
                  1,
 
1681
                  1,
 
1682
                  1,
 
1683
                  1,
 
1684
                  1,
 
1685
                  1,
 
1686
                  1,
 
1687
                  1,
 
1688
                  1,
 
1689
                  1,
 
1690
                  1,
 
1691
                  1,
 
1692
                  1,
 
1693
                  1,
 
1694
                  1,
 
1695
                  1,
 
1696
                  1,
 
1697
                  1,
 
1698
                  1,
 
1699
                  1,
 
1700
                  1,
 
1701
                  1,
 
1702
                  1,
 
1703
                  1,
 
1704
                  1,
 
1705
                  1,
 
1706
                  1,
 
1707
                  1,
 
1708
                  1,
 
1709
                  1,
 
1710
                  1,
 
1711
                  1,
 
1712
                  1,
 
1713
                  1,
 
1714
                  1,
 
1715
                  1,
 
1716
                  1,
 
1717
                  1,
 
1718
                  1,
 
1719
                  1,
 
1720
                  1,
 
1721
                  1,
 
1722
                  1,
 
1723
                  1,
 
1724
                  1,
 
1725
                  1,
 
1726
                  1,
 
1727
                  1,
 
1728
                  1,
 
1729
                  1,
 
1730
                  1,
 
1731
                  1,
 
1732
                  1,
 
1733
                  1,
 
1734
                  1,
 
1735
                  1,
 
1736
                  1,
 
1737
                  1,
 
1738
                  1,
 
1739
                  1,
 
1740
                  1,
 
1741
                  1,
 
1742
                  1,
 
1743
                  1,
 
1744
                  1,
 
1745
                  1,
 
1746
                  1,
 
1747
                  1,
 
1748
                  1,
 
1749
                  1,
 
1750
                  1,
 
1751
                  1,
 
1752
                  1,
 
1753
                  1,
 
1754
                  1,
 
1755
                  1,
 
1756
                  1,
 
1757
                  1,
 
1758
                  1,
 
1759
                  1,
 
1760
                  1,
 
1761
                  1,
 
1762
                  1,
 
1763
                  1,
 
1764
                  1,
 
1765
                  1,
 
1766
                  1,
 
1767
                  1,
 
1768
                  1,
 
1769
                  1,
 
1770
                  1,
 
1771
                  1,
 
1772
                  1,
 
1773
                  1,
 
1774
                  1,
 
1775
                  1,
 
1776
                  1,
 
1777
                  1,
 
1778
                  1,
 
1779
                  1,
 
1780
                  1,
 
1781
                  1,
 
1782
                  1,
 
1783
                  1,
 
1784
                  1,
 
1785
                  1,
 
1786
                  1,
 
1787
                  1,
 
1788
                  1,
 
1789
                  1,
 
1790
                  1,
 
1791
                  1,
 
1792
                  1,
 
1793
                  1,
 
1794
                  1,
 
1795
                  1,
 
1796
                  1,
 
1797
                  1,
 
1798
                  1,
 
1799
                  1,
 
1800
                  1,
 
1801
                  1,
 
1802
                  1,
 
1803
                  1,
 
1804
                  1,
 
1805
                  1,
 
1806
                  1,
 
1807
                  1,
 
1808
                  1,
 
1809
                  1,
 
1810
                  1,
 
1811
                  1,
 
1812
                  1,
 
1813
                  1,
 
1814
                  1,
 
1815
                  1,
 
1816
                  1,
 
1817
                  1,
 
1818
                  1,
 
1819
                  1,
 
1820
                  1,
 
1821
                  1,
 
1822
                  1,
 
1823
                  1,
 
1824
                  1,
 
1825
                  1,
 
1826
                  1,
 
1827
                  1,
 
1828
                  1,
 
1829
                  1,
 
1830
                  1,
 
1831
                  1,
 
1832
                  1,
 
1833
                  1,
 
1834
                  1,
 
1835
                  1,
 
1836
                  1,
 
1837
                  1,
 
1838
                  1,
 
1839
                  1,
 
1840
                  1,
 
1841
                  1,
 
1842
                  1,
 
1843
                  1,
 
1844
                  1,
 
1845
                  1,
 
1846
                  1,
 
1847
                  1,
 
1848
                  1,
 
1849
                  1,
 
1850
                  1,
 
1851
                  1,
 
1852
                  1,
 
1853
                  1,
 
1854
                  1,
 
1855
                  1,
 
1856
                  1,
 
1857
                  1,
 
1858
                  1,
 
1859
                  1,
 
1860
                  1
 
1861
                },
 
1862
                residue-ids {
 
1863
                  1,
 
1864
                  1,
 
1865
                  1,
 
1866
                  1,
 
1867
                  1,
 
1868
                  1,
 
1869
                  1,
 
1870
                  2,
 
1871
                  2,
 
1872
                  2,
 
1873
                  2,
 
1874
                  2,
 
1875
                  2,
 
1876
                  2,
 
1877
                  3,
 
1878
                  3,
 
1879
                  3,
 
1880
                  3,
 
1881
                  3,
 
1882
                  3,
 
1883
                  4,
 
1884
                  4,
 
1885
                  4,
 
1886
                  4,
 
1887
                  4,
 
1888
                  4,
 
1889
                  5,
 
1890
                  5,
 
1891
                  5,
 
1892
                  5,
 
1893
                  5,
 
1894
                  5,
 
1895
                  5,
 
1896
                  6,
 
1897
                  6,
 
1898
                  6,
 
1899
                  6,
 
1900
                  6,
 
1901
                  6,
 
1902
                  7,
 
1903
                  7,
 
1904
                  7,
 
1905
                  7,
 
1906
                  7,
 
1907
                  7,
 
1908
                  7,
 
1909
                  7,
 
1910
                  8,
 
1911
                  8,
 
1912
                  8,
 
1913
                  8,
 
1914
                  8,
 
1915
                  8,
 
1916
                  8,
 
1917
                  9,
 
1918
                  9,
 
1919
                  9,
 
1920
                  9,
 
1921
                  9,
 
1922
                  10,
 
1923
                  10,
 
1924
                  10,
 
1925
                  10,
 
1926
                  10,
 
1927
                  10,
 
1928
                  10,
 
1929
                  10,
 
1930
                  10,
 
1931
                  10,
 
1932
                  10,
 
1933
                  11,
 
1934
                  11,
 
1935
                  11,
 
1936
                  11,
 
1937
                  11,
 
1938
                  11,
 
1939
                  12,
 
1940
                  12,
 
1941
                  12,
 
1942
                  12,
 
1943
                  12,
 
1944
                  12,
 
1945
                  12,
 
1946
                  12,
 
1947
                  13,
 
1948
                  13,
 
1949
                  13,
 
1950
                  13,
 
1951
                  13,
 
1952
                  13,
 
1953
                  13,
 
1954
                  13,
 
1955
                  13,
 
1956
                  13,
 
1957
                  13,
 
1958
                  14,
 
1959
                  14,
 
1960
                  14,
 
1961
                  14,
 
1962
                  14,
 
1963
                  14,
 
1964
                  14,
 
1965
                  14,
 
1966
                  15,
 
1967
                  15,
 
1968
                  15,
 
1969
                  15,
 
1970
                  15,
 
1971
                  15,
 
1972
                  15,
 
1973
                  16,
 
1974
                  16,
 
1975
                  16,
 
1976
                  16,
 
1977
                  16,
 
1978
                  16,
 
1979
                  17,
 
1980
                  17,
 
1981
                  17,
 
1982
                  17,
 
1983
                  17,
 
1984
                  17,
 
1985
                  17,
 
1986
                  17,
 
1987
                  17,
 
1988
                  17,
 
1989
                  17,
 
1990
                  18,
 
1991
                  18,
 
1992
                  18,
 
1993
                  18,
 
1994
                  18,
 
1995
                  18,
 
1996
                  18,
 
1997
                  18,
 
1998
                  19,
 
1999
                  19,
 
2000
                  19,
 
2001
                  19,
 
2002
                  19,
 
2003
                  19,
 
2004
                  19,
 
2005
                  20,
 
2006
                  20,
 
2007
                  20,
 
2008
                  20,
 
2009
                  21,
 
2010
                  21,
 
2011
                  21,
 
2012
                  21,
 
2013
                  21,
 
2014
                  21,
 
2015
                  21,
 
2016
                  22,
 
2017
                  22,
 
2018
                  22,
 
2019
                  22,
 
2020
                  22,
 
2021
                  22,
 
2022
                  22,
 
2023
                  23,
 
2024
                  23,
 
2025
                  23,
 
2026
                  23,
 
2027
                  23,
 
2028
                  23,
 
2029
                  23,
 
2030
                  23,
 
2031
                  23,
 
2032
                  24,
 
2033
                  24,
 
2034
                  24,
 
2035
                  24,
 
2036
                  24,
 
2037
                  25,
 
2038
                  25,
 
2039
                  25,
 
2040
                  25,
 
2041
                  25,
 
2042
                  25,
 
2043
                  25,
 
2044
                  25,
 
2045
                  26,
 
2046
                  26,
 
2047
                  26,
 
2048
                  26,
 
2049
                  26,
 
2050
                  26,
 
2051
                  27,
 
2052
                  27,
 
2053
                  27,
 
2054
                  27,
 
2055
                  27,
 
2056
                  28,
 
2057
                  28,
 
2058
                  28,
 
2059
                  28,
 
2060
                  28,
 
2061
                  28,
 
2062
                  28,
 
2063
                  29,
 
2064
                  29,
 
2065
                  29,
 
2066
                  29,
 
2067
                  29,
 
2068
                  29,
 
2069
                  29,
 
2070
                  29,
 
2071
                  29,
 
2072
                  29,
 
2073
                  29,
 
2074
                  29,
 
2075
                  30,
 
2076
                  30,
 
2077
                  30,
 
2078
                  30,
 
2079
                  30,
 
2080
                  30,
 
2081
                  30,
 
2082
                  31,
 
2083
                  31,
 
2084
                  31,
 
2085
                  31,
 
2086
                  32,
 
2087
                  32,
 
2088
                  32,
 
2089
                  32,
 
2090
                  32,
 
2091
                  32,
 
2092
                  33,
 
2093
                  33,
 
2094
                  33,
 
2095
                  33,
 
2096
                  33,
 
2097
                  33,
 
2098
                  33,
 
2099
                  33,
 
2100
                  34,
 
2101
                  34,
 
2102
                  34,
 
2103
                  34,
 
2104
                  34,
 
2105
                  34,
 
2106
                  34,
 
2107
                  34,
 
2108
                  35,
 
2109
                  35,
 
2110
                  35,
 
2111
                  35,
 
2112
                  35,
 
2113
                  35,
 
2114
                  35,
 
2115
                  35,
 
2116
                  36,
 
2117
                  36,
 
2118
                  36,
 
2119
                  36,
 
2120
                  36,
 
2121
                  36,
 
2122
                  36,
 
2123
                  37,
 
2124
                  37,
 
2125
                  37,
 
2126
                  37,
 
2127
                  38,
 
2128
                  38,
 
2129
                  38,
 
2130
                  38,
 
2131
                  38,
 
2132
                  39,
 
2133
                  39,
 
2134
                  39,
 
2135
                  39,
 
2136
                  39,
 
2137
                  39,
 
2138
                  39,
 
2139
                  40,
 
2140
                  40,
 
2141
                  40,
 
2142
                  40,
 
2143
                  40,
 
2144
                  40,
 
2145
                  41,
 
2146
                  41,
 
2147
                  41,
 
2148
                  41,
 
2149
                  41,
 
2150
                  41,
 
2151
                  41,
 
2152
                  42,
 
2153
                  42,
 
2154
                  42,
 
2155
                  42,
 
2156
                  43,
 
2157
                  43,
 
2158
                  43,
 
2159
                  43,
 
2160
                  43,
 
2161
                  43,
 
2162
                  43,
 
2163
                  43,
 
2164
                  44,
 
2165
                  44,
 
2166
                  44,
 
2167
                  44,
 
2168
                  44,
 
2169
                  44,
 
2170
                  44,
 
2171
                  44,
 
2172
                  44,
 
2173
                  44,
 
2174
                  44,
 
2175
                  44,
 
2176
                  45,
 
2177
                  45,
 
2178
                  45,
 
2179
                  45,
 
2180
                  45,
 
2181
                  46,
 
2182
                  46,
 
2183
                  46,
 
2184
                  46,
 
2185
                  46,
 
2186
                  46,
 
2187
                  46,
 
2188
                  46,
 
2189
                  46
 
2190
                },
 
2191
                atom-ids {
 
2192
                  8,
 
2193
                  2,
 
2194
                  1,
 
2195
                  9,
 
2196
                  3,
 
2197
                  10,
 
2198
                  4,
 
2199
                  9,
 
2200
                  2,
 
2201
                  1,
 
2202
                  10,
 
2203
                  3,
 
2204
                  11,
 
2205
                  4,
 
2206
                  7,
 
2207
                  2,
 
2208
                  1,
 
2209
                  8,
 
2210
                  3,
 
2211
                  9,
 
2212
                  7,
 
2213
                  2,
 
2214
                  1,
 
2215
                  8,
 
2216
                  3,
 
2217
                  9,
 
2218
                  7,
 
2219
                  2,
 
2220
                  1,
 
2221
                  8,
 
2222
                  3,
 
2223
                  5,
 
2224
                  4,
 
2225
                  7,
 
2226
                  2,
 
2227
                  1,
 
2228
                  8,
 
2229
                  3,
 
2230
                  9,
 
2231
                  10,
 
2232
                  2,
 
2233
                  1,
 
2234
                  11,
 
2235
                  3,
 
2236
                  5,
 
2237
                  6,
 
2238
                  4,
 
2239
                  9,
 
2240
                  2,
 
2241
                  1,
 
2242
                  10,
 
2243
                  3,
 
2244
                  4,
 
2245
                  5,
 
2246
                  6,
 
2247
                  2,
 
2248
                  1,
 
2249
                  7,
 
2250
                  3,
 
2251
                  10,
 
2252
                  2,
 
2253
                  1,
 
2254
                  14,
 
2255
                  3,
 
2256
                  5,
 
2257
                  4,
 
2258
                  11,
 
2259
                  6,
 
2260
                  12,
 
2261
                  13,
 
2262
                  7,
 
2263
                  2,
 
2264
                  1,
 
2265
                  8,
 
2266
                  3,
 
2267
                  9,
 
2268
                  7,
 
2269
                  2,
 
2270
                  1,
 
2271
                  9,
 
2272
                  3,
 
2273
                  4,
 
2274
                  10,
 
2275
                  8,
 
2276
                  17,
 
2277
                  2,
 
2278
                  1,
 
2279
                  18,
 
2280
                  3,
 
2281
                  8,
 
2282
                  4,
 
2283
                  5,
 
2284
                  6,
 
2285
                  7,
 
2286
                  9,
 
2287
                  7,
 
2288
                  2,
 
2289
                  1,
 
2290
                  9,
 
2291
                  3,
 
2292
                  4,
 
2293
                  10,
 
2294
                  8,
 
2295
                  9,
 
2296
                  2,
 
2297
                  1,
 
2298
                  10,
 
2299
                  3,
 
2300
                  4,
 
2301
                  5,
 
2302
                  7,
 
2303
                  2,
 
2304
                  1,
 
2305
                  8,
 
2306
                  3,
 
2307
                  9,
 
2308
                  10,
 
2309
                  2,
 
2310
                  1,
 
2311
                  14,
 
2312
                  3,
 
2313
                  5,
 
2314
                  4,
 
2315
                  11,
 
2316
                  6,
 
2317
                  12,
 
2318
                  13,
 
2319
                  10,
 
2320
                  2,
 
2321
                  1,
 
2322
                  11,
 
2323
                  3,
 
2324
                  6,
 
2325
                  4,
 
2326
                  5,
 
2327
                  7,
 
2328
                  2,
 
2329
                  1,
 
2330
                  8,
 
2331
                  3,
 
2332
                  5,
 
2333
                  4,
 
2334
                  4,
 
2335
                  2,
 
2336
                  1,
 
2337
                  5,
 
2338
                  9,
 
2339
                  2,
 
2340
                  1,
 
2341
                  10,
 
2342
                  3,
 
2343
                  11,
 
2344
                  4,
 
2345
                  7,
 
2346
                  2,
 
2347
                  1,
 
2348
                  8,
 
2349
                  3,
 
2350
                  5,
 
2351
                  4,
 
2352
                  10,
 
2353
                  2,
 
2354
                  1,
 
2355
                  11,
 
2356
                  3,
 
2357
                  5,
 
2358
                  4,
 
2359
                  12,
 
2360
                  13,
 
2361
                  6,
 
2362
                  2,
 
2363
                  1,
 
2364
                  7,
 
2365
                  3,
 
2366
                  10,
 
2367
                  2,
 
2368
                  1,
 
2369
                  11,
 
2370
                  3,
 
2371
                  5,
 
2372
                  6,
 
2373
                  4,
 
2374
                  7,
 
2375
                  2,
 
2376
                  1,
 
2377
                  8,
 
2378
                  3,
 
2379
                  9,
 
2380
                  6,
 
2381
                  2,
 
2382
                  1,
 
2383
                  7,
 
2384
                  3,
 
2385
                  9,
 
2386
                  2,
 
2387
                  1,
 
2388
                  10,
 
2389
                  3,
 
2390
                  11,
 
2391
                  4,
 
2392
                  17,
 
2393
                  2,
 
2394
                  1,
 
2395
                  18,
 
2396
                  3,
 
2397
                  8,
 
2398
                  4,
 
2399
                  5,
 
2400
                  6,
 
2401
                  7,
 
2402
                  9,
 
2403
                  19,
 
2404
                  9,
 
2405
                  2,
 
2406
                  1,
 
2407
                  10,
 
2408
                  3,
 
2409
                  11,
 
2410
                  4,
 
2411
                  4,
 
2412
                  2,
 
2413
                  1,
 
2414
                  5,
 
2415
                  7,
 
2416
                  2,
 
2417
                  1,
 
2418
                  8,
 
2419
                  3,
 
2420
                  9,
 
2421
                  10,
 
2422
                  2,
 
2423
                  1,
 
2424
                  11,
 
2425
                  3,
 
2426
                  5,
 
2427
                  6,
 
2428
                  4,
 
2429
                  10,
 
2430
                  2,
 
2431
                  1,
 
2432
                  11,
 
2433
                  3,
 
2434
                  5,
 
2435
                  6,
 
2436
                  4,
 
2437
                  10,
 
2438
                  2,
 
2439
                  1,
 
2440
                  11,
 
2441
                  3,
 
2442
                  5,
 
2443
                  6,
 
2444
                  4,
 
2445
                  7,
 
2446
                  2,
 
2447
                  1,
 
2448
                  8,
 
2449
                  3,
 
2450
                  5,
 
2451
                  4,
 
2452
                  4,
 
2453
                  2,
 
2454
                  1,
 
2455
                  5,
 
2456
                  6,
 
2457
                  2,
 
2458
                  1,
 
2459
                  7,
 
2460
                  3,
 
2461
                  9,
 
2462
                  2,
 
2463
                  1,
 
2464
                  10,
 
2465
                  3,
 
2466
                  11,
 
2467
                  4,
 
2468
                  7,
 
2469
                  2,
 
2470
                  1,
 
2471
                  8,
 
2472
                  3,
 
2473
                  9,
 
2474
                  7,
 
2475
                  2,
 
2476
                  1,
 
2477
                  8,
 
2478
                  3,
 
2479
                  5,
 
2480
                  4,
 
2481
                  4,
 
2482
                  2,
 
2483
                  1,
 
2484
                  5,
 
2485
                  9,
 
2486
                  2,
 
2487
                  1,
 
2488
                  10,
 
2489
                  3,
 
2490
                  4,
 
2491
                  11,
 
2492
                  12,
 
2493
                  17,
 
2494
                  2,
 
2495
                  1,
 
2496
                  18,
 
2497
                  3,
 
2498
                  8,
 
2499
                  4,
 
2500
                  5,
 
2501
                  6,
 
2502
                  7,
 
2503
                  9,
 
2504
                  19,
 
2505
                  6,
 
2506
                  2,
 
2507
                  1,
 
2508
                  7,
 
2509
                  3,
 
2510
                  7,
 
2511
                  2,
 
2512
                  1,
 
2513
                  9,
 
2514
                  3,
 
2515
                  4,
 
2516
                  10,
 
2517
                  8,
 
2518
                  11
 
2519
                }
 
2520
              },
 
2521
              sites {
 
2522
                scale-factor 1000,
 
2523
                x {
 
2524
                  17047,
 
2525
                  16966,
 
2526
                  15685,
 
2527
                  15267,
 
2528
                  18170,
 
2529
                  19333,
 
2530
                  18149,
 
2531
                  15114,
 
2532
                  13855,
 
2533
                  14163,
 
2534
                  14993,
 
2535
                  12732,
 
2536
                  13307,
 
2537
                  12484,
 
2538
                  13487,
 
2539
                  13659,
 
2540
                  12269,
 
2541
                  11392,
 
2542
                  14368,
 
2543
                  15885,
 
2544
                  12019,
 
2545
                  10645,
 
2546
                  10654,
 
2547
                  11659,
 
2548
                  10057,
 
2549
                  9836,
 
2550
                  9560,
 
2551
                  9447,
 
2552
                  9288,
 
2553
                  9489,
 
2554
                  8229,
 
2555
                  7337,
 
2556
                  8366,
 
2557
                  8875,
 
2558
                  8673,
 
2559
                  8753,
 
2560
                  8725,
 
2561
                  7340,
 
2562
                  6274,
 
2563
                  8880,
 
2564
                  8911,
 
2565
                  7580,
 
2566
                  7670,
 
2567
                  9206,
 
2568
                  10713,
 
2569
                  8810,
 
2570
                  11185,
 
2571
                  6458,
 
2572
                  5144,
 
2573
                  5114,
 
2574
                  4664,
 
2575
                  3994,
 
2576
                  2716,
 
2577
                  3757,
 
2578
                  5605,
 
2579
                  5598,
 
2580
                  6440,
 
2581
                  6052,
 
2582
                  6021,
 
2583
                  7646,
 
2584
                  8496,
 
2585
                  7797,
 
2586
                  7877,
 
2587
                  9847,
 
2588
                  10751,
 
2589
                  11225,
 
2590
                  12142,
 
2591
                  12758,
 
2592
                  12538,
 
2593
                  13600,
 
2594
                  7185,
 
2595
                  6500,
 
2596
                  5381,
 
2597
                  5212,
 
2598
                  5907,
 
2599
                  6989,
 
2600
                  4647,
 
2601
                  3545,
 
2602
                  4106,
 
2603
                  3536,
 
2604
                  2663,
 
2605
                  1802,
 
2606
                  1567,
 
2607
                  1394,
 
2608
                  5258,
 
2609
                  5928,
 
2610
                  6303,
 
2611
                  6136,
 
2612
                  7183,
 
2613
                  7883,
 
2614
                  8906,
 
2615
                  7532,
 
2616
                  9560,
 
2617
                  8175,
 
2618
                  9140,
 
2619
                  6900,
 
2620
                  7330,
 
2621
                  6116,
 
2622
                  6239,
 
2623
                  8145,
 
2624
                  9555,
 
2625
                  10012,
 
2626
                  10119,
 
2627
                  4993,
 
2628
                  3782,
 
2629
                  3296,
 
2630
                  2947,
 
2631
                  2697,
 
2632
                  1383,
 
2633
                  3174,
 
2634
                  3321,
 
2635
                  2890,
 
2636
                  3687,
 
2637
                  3200,
 
2638
                  3039,
 
2639
                  2559,
 
2640
                  4997,
 
2641
                  5894,
 
2642
                  5737,
 
2643
                  6228,
 
2644
                  7369,
 
2645
                  7717,
 
2646
                  7948,
 
2647
                  9211,
 
2648
                  9536,
 
2649
                  8659,
 
2650
                  10793,
 
2651
                  5051,
 
2652
                  4933,
 
2653
                  4396,
 
2654
                  4987,
 
2655
                  4196,
 
2656
                  4960,
 
2657
                  3907,
 
2658
                  6129,
 
2659
                  3328,
 
2660
                  2792,
 
2661
                  3572,
 
2662
                  3259,
 
2663
                  1358,
 
2664
                  1223,
 
2665
                  2421,
 
2666
                  4565,
 
2667
                  5366,
 
2668
                  5006,
 
2669
                  5534,
 
2670
                  4181,
 
2671
                  3766,
 
2672
                  5017,
 
2673
                  5947,
 
2674
                  2992,
 
2675
                  2051,
 
2676
                  2259,
 
2677
                  4971,
 
2678
                  6143,
 
2679
                  6400,
 
2680
                  5485,
 
2681
                  5703,
 
2682
                  4676,
 
2683
                  3963,
 
2684
                  7728,
 
2685
                  8114,
 
2686
                  7427,
 
2687
                  7035,
 
2688
                  9647,
 
2689
                  10439,
 
2690
                  11940,
 
2691
                  12416,
 
2692
                  12538,
 
2693
                  7211,
 
2694
                  6613,
 
2695
                  5211,
 
2696
                  4782,
 
2697
                  6605,
 
2698
                  4445,
 
2699
                  3073,
 
2700
                  3085,
 
2701
                  2315,
 
2702
                  2203,
 
2703
                  1815,
 
2704
                  902,
 
2705
                  755,
 
2706
                  4032,
 
2707
                  4179,
 
2708
                  4631,
 
2709
                  4227,
 
2710
                  5038,
 
2711
                  4348,
 
2712
                  5407,
 
2713
                  5879,
 
2714
                  4696,
 
2715
                  4527,
 
2716
                  6880,
 
2717
                  3826,
 
2718
                  2690,
 
2719
                  1672,
 
2720
                  947,
 
2721
                  1985,
 
2722
                  1664,
 
2723
                  2914,
 
2724
                  1621,
 
2725
                  714,
 
2726
                  1125,
 
2727
                  286,
 
2728
                  754,
 
2729
                  -202,
 
2730
                  -1547,
 
2731
                  193,
 
2732
                  -2496,
 
2733
                  -800,
 
2734
                  -2078,
 
2735
                  -3096,
 
2736
                  2470,
 
2737
                  2986,
 
2738
                  3608,
 
2739
                  3766,
 
2740
                  4076,
 
2741
                  5125,
 
2742
                  3493,
 
2743
                  3983,
 
2744
                  4769,
 
2745
                  6255,
 
2746
                  7037,
 
2747
                  6710,
 
2748
                  8140,
 
2749
                  8500,
 
2750
                  7580,
 
2751
                  8503,
 
2752
                  8048,
 
2753
                  9793,
 
2754
                  10279,
 
2755
                  11345,
 
2756
                  11970,
 
2757
                  10789,
 
2758
                  12059,
 
2759
                  9684,
 
2760
                  12732,
 
2761
                  11489,
 
2762
                  12552,
 
2763
                  13590,
 
2764
                  13168,
 
2765
                  11987,
 
2766
                  10913,
 
2767
                  13130,
 
2768
                  10151,
 
2769
                  14855,
 
2770
                  15930,
 
2771
                  16913,
 
2772
                  17097,
 
2773
                  16621,
 
2774
                  17360,
 
2775
                  15592,
 
2776
                  18298,
 
2777
                  17663,
 
2778
                  18635,
 
2779
                  19924,
 
2780
                  20593,
 
2781
                  18944,
 
2782
                  18238,
 
2783
                  17371,
 
2784
                  20172,
 
2785
                  21451,
 
2786
                  21142,
 
2787
                  20138,
 
2788
                  22055,
 
2789
                  22018,
 
2790
                  21944,
 
2791
                  21868,
 
2792
                  23246,
 
2793
                  21893,
 
2794
                  21936,
 
2795
                  20614,
 
2796
                  20357,
 
2797
                  23131,
 
2798
                  24284,
 
2799
                  23340,
 
2800
                  19826,
 
2801
                  18503,
 
2802
                  18684,
 
2803
                  19533,
 
2804
                  17582,
 
2805
                  17198,
 
2806
                  17879,
 
2807
                  17923,
 
2808
                  17392,
 
2809
                  16652,
 
2810
                  17076,
 
2811
                  16097,
 
2812
                  16858,
 
2813
                  17728,
 
2814
                  17333,
 
2815
                  15875,
 
2816
                  15434,
 
2817
                  15036,
 
2818
                  13564,
 
2819
                  12935,
 
2820
                  11720,
 
2821
                  12932,
 
2822
                  13140,
 
2823
                  14109,
 
2824
                  12267,
 
2825
                  13725,
 
2826
                  13256,
 
2827
                  14274,
 
2828
                  14930,
 
2829
                  13199,
 
2830
                  12000,
 
2831
                  12119,
 
2832
                  10774,
 
2833
                  11045,
 
2834
                  9675,
 
2835
                  9802,
 
2836
                  8739,
 
2837
                  14342,
 
2838
                  15444,
 
2839
                  15170,
 
2840
                  16093,
 
2841
                  15680,
 
2842
                  13965,
 
2843
                  13512,
 
2844
                  13310,
 
2845
                  13732,
 
2846
                  12265,
 
2847
                  12538,
 
2848
                  11982,
 
2849
                  13406,
 
2850
                  12703
 
2851
                },
 
2852
                y {
 
2853
                  14098,
 
2854
                  12784,
 
2855
                  12755,
 
2856
                  13824,
 
2857
                  12703,
 
2858
                  12829,
 
2859
                  11545,
 
2860
                  11555,
 
2861
                  11468,
 
2862
                  10784,
 
2863
                  9862,
 
2864
                  10711,
 
2865
                  9439,
 
2866
                  11442,
 
2867
                  11241,
 
2868
                  10706,
 
2869
                  10430,
 
2870
                  11307,
 
2871
                  11748,
 
2872
                  12425,
 
2873
                  9272,
 
2874
                  8991,
 
2875
                  8793,
 
2876
                  8295,
 
2877
                  7751,
 
2878
                  8017,
 
2879
                  9107,
 
2880
                  9034,
 
2881
                  7670,
 
2882
                  7519,
 
2883
                  9956,
 
2884
                  9786,
 
2885
                  9803,
 
2886
                  6685,
 
2887
                  5314,
 
2888
                  4375,
 
2889
                  4857,
 
2890
                  5120,
 
2891
                  5219,
 
2892
                  3075,
 
2893
                  2082,
 
2894
                  2089,
 
2895
                  2030,
 
2896
                  676,
 
2897
                  702,
 
2898
                  -476,
 
2899
                  -515,
 
2900
                  2161,
 
2901
                  2209,
 
2902
                  3378,
 
2903
                  3267,
 
2904
                  2354,
 
2905
                  2891,
 
2906
                  1031,
 
2907
                  4546,
 
2908
                  5767,
 
2909
                  5526,
 
2910
                  5933,
 
2911
                  6977,
 
2912
                  4908,
 
2913
                  4609,
 
2914
                  3608,
 
2915
                  3778,
 
2916
                  4019,
 
2917
                  3607,
 
2918
                  4698,
 
2919
                  5571,
 
2920
                  6609,
 
2921
                  6932,
 
2922
                  7322,
 
2923
                  2582,
 
2924
                  1583,
 
2925
                  2312,
 
2926
                  2016,
 
2927
                  462,
 
2928
                  -272,
 
2929
                  3181,
 
2930
                  3934,
 
2931
                  4850,
 
2932
                  5000,
 
2933
                  4677,
 
2934
                  3734,
 
2935
                  2612,
 
2936
                  4251,
 
2937
                  5498,
 
2938
                  6357,
 
2939
                  5578,
 
2940
                  6072,
 
2941
                  6993,
 
2942
                  8005,
 
2943
                  7585,
 
2944
                  9373,
 
2945
                  8538,
 
2946
                  10281,
 
2947
                  9845,
 
2948
                  4389,
 
2949
                  3607,
 
2950
                  3210,
 
2951
                  3144,
 
2952
                  2404,
 
2953
                  2855,
 
2954
                  3894,
 
2955
                  1955,
 
2956
                  2927,
 
2957
                  2598,
 
2958
                  3871,
 
2959
                  3816,
 
2960
                  1952,
 
2961
                  1825,
 
2962
                  532,
 
2963
                  4986,
 
2964
                  6284,
 
2965
                  6597,
 
2966
                  7146,
 
2967
                  7368,
 
2968
                  9013,
 
2969
                  6227,
 
2970
                  6488,
 
2971
                  5559,
 
2972
                  5901,
 
2973
                  6506,
 
2974
                  7686,
 
2975
                  8946,
 
2976
                  8855,
 
2977
                  9532,
 
2978
                  10350,
 
2979
                  9491,
 
2980
                  4410,
 
2981
                  3430,
 
2982
                  4013,
 
2983
                  3755,
 
2984
                  2184,
 
2985
                  1177,
 
2986
                  97,
 
2987
                  606,
 
2988
                  4795,
 
2989
                  5375,
 
2990
                  6539,
 
2991
                  7045,
 
2992
                  5765,
 
2993
                  5693,
 
2994
                  4940,
 
2995
                  7046,
 
2996
                  8190,
 
2997
                  9480,
 
2998
                  10510,
 
2999
                  9437,
 
3000
                  10609,
 
3001
                  11397,
 
3002
                  10756,
 
3003
                  10187,
 
3004
                  9144,
 
3005
                  11348,
 
3006
                  12703,
 
3007
                  13512,
 
3008
                  13232,
 
3009
                  13060,
 
3010
                  14968,
 
3011
                  14892,
 
3012
                  13567,
 
3013
                  13296,
 
3014
                  13102,
 
3015
                  14072,
 
3016
                  13682,
 
3017
                  13284,
 
3018
                  12093,
 
3019
                  12170,
 
3020
                  13225,
 
3021
                  11069,
 
3022
                  15333,
 
3023
                  16316,
 
3024
                  15935,
 
3025
                  16166,
 
3026
                  17694,
 
3027
                  15317,
 
3028
                  14894,
 
3029
                  13642,
 
3030
                  13522,
 
3031
                  14637,
 
3032
                  16048,
 
3033
                  13864,
 
3034
                  16760,
 
3035
                  12763,
 
3036
                  11548,
 
3037
                  11944,
 
3038
                  11251,
 
3039
                  10517,
 
3040
                  9793,
 
3041
                  13012,
 
3042
                  13501,
 
3043
                  13907,
 
3044
                  13421,
 
3045
                  14614,
 
3046
                  14802,
 
3047
                  15220,
 
3048
                  14131,
 
3049
                  14112,
 
3050
                  16520,
 
3051
                  16221,
 
3052
                  17739,
 
3053
                  13189,
 
3054
                  12045,
 
3055
                  11125,
 
3056
                  10631,
 
3057
                  11229,
 
3058
                  10043,
 
3059
                  10336,
 
3060
                  8750,
 
3061
                  9329,
 
3062
                  7704,
 
3063
                  8031,
 
3064
                  7057,
 
3065
                  10984,
 
3066
                  9994,
 
3067
                  10505,
 
3068
                  9715,
 
3069
                  9102,
 
3070
                  10027,
 
3071
                  8324,
 
3072
                  11763,
 
3073
                  12336,
 
3074
                  12243,
 
3075
                  12750,
 
3076
                  11630,
 
3077
                  11694,
 
3078
                  13140,
 
3079
                  13949,
 
3080
                  10685,
 
3081
                  8987,
 
3082
                  13409,
 
3083
                  14760,
 
3084
                  14657,
 
3085
                  13583,
 
3086
                  15534,
 
3087
                  14803,
 
3088
                  15685,
 
3089
                  15675,
 
3090
                  15772,
 
3091
                  15876,
 
3092
                  16916,
 
3093
                  18006,
 
3094
                  16360,
 
3095
                  15338,
 
3096
                  16517,
 
3097
                  16024,
 
3098
                  16493,
 
3099
                  17454,
 
3100
                  17549,
 
3101
                  16659,
 
3102
                  16995,
 
3103
                  15651,
 
3104
                  16974,
 
3105
                  15206,
 
3106
                  18669,
 
3107
                  18861,
 
3108
                  18041,
 
3109
                  17742,
 
3110
                  20364,
 
3111
                  20937,
 
3112
                  19899,
 
3113
                  17729,
 
3114
                  16968,
 
3115
                  15477,
 
3116
                  15022,
 
3117
                  14701,
 
3118
                  13241,
 
3119
                  12628,
 
3120
                  11387,
 
3121
                  12696,
 
3122
                  13435,
 
3123
                  12911,
 
3124
                  13190,
 
3125
                  14317,
 
3126
                  13600,
 
3127
                  13401,
 
3128
                  12935,
 
3129
                  12109,
 
3130
                  12312,
 
3131
                  12451,
 
3132
                  11718,
 
3133
                  11116,
 
3134
                  10928,
 
3135
                  13265,
 
3136
                  13420,
 
3137
                  12206,
 
3138
                  11368,
 
3139
                  14657,
 
3140
                  14689,
 
3141
                  14149,
 
3142
                  12123,
 
3143
                  10956,
 
3144
                  10687,
 
3145
                  9550,
 
3146
                  11746,
 
3147
                  11572,
 
3148
                  11227,
 
3149
                  11039,
 
3150
                  12737,
 
3151
                  14093,
 
3152
                  14303,
 
3153
                  14963,
 
3154
                  11173,
 
3155
                  10744,
 
3156
                  9687,
 
3157
                  9862,
 
3158
                  11913,
 
3159
                  12819,
 
3160
                  13852,
 
3161
                  12616,
 
3162
                  14675,
 
3163
                  13432,
 
3164
                  14456,
 
3165
                  15265,
 
3166
                  8640,
 
3167
                  7666,
 
3168
                  6532,
 
3169
                  5704,
 
3170
                  7098,
 
3171
                  6501,
 
3172
                  5394,
 
3173
                  5853,
 
3174
                  6928,
 
3175
                  4769,
 
3176
                  4303,
 
3177
                  4848,
 
3178
                  3298,
 
3179
                  4973
 
3180
                },
 
3181
                z {
 
3182
                  3625,
 
3183
                  4337,
 
3184
                  5132,
 
3185
                  5593,
 
3186
                  5336,
 
3187
                  4462,
 
3188
                  6303,
 
3189
                  5264,
 
3190
                  6065,
 
3191
                  7379,
 
3192
                  7442,
 
3193
                  5261,
 
3194
                  4926,
 
3195
                  3894,
 
3196
                  8416,
 
3197
                  9786,
 
3198
                  10322,
 
3199
                  10185,
 
3200
                  10690,
 
3201
                  10015,
 
3202
                  10928,
 
3203
                  11407,
 
3204
                  12918,
 
3205
                  13491,
 
3206
                  10682,
 
3207
                  8904,
 
3208
                  13562,
 
3209
                  15012,
 
3210
                  15605,
 
3211
                  16819,
 
3212
                  15345,
 
3213
                  14114,
 
3214
                  12958,
 
3215
                  14795,
 
3216
                  15279,
 
3217
                  14083,
 
3218
                  12923,
 
3219
                  15996,
 
3220
                  15031,
 
3221
                  14357,
 
3222
                  13258,
 
3223
                  12505,
 
3224
                  11244,
 
3225
                  13923,
 
3226
                  14312,
 
3227
                  12968,
 
3228
                  15142,
 
3229
                  13159,
 
3230
                  12453,
 
3231
                  11461,
 
3232
                  10343,
 
3233
                  13477,
 
3234
                  12869,
 
3235
                  14208,
 
3236
                  11940,
 
3237
                  11081,
 
3238
                  9850,
 
3239
                  8744,
 
3240
                  11890,
 
3241
                  10005,
 
3242
                  8836,
 
3243
                  7875,
 
3244
                  6651,
 
3245
                  9305,
 
3246
                  8149,
 
3247
                  7243,
 
3248
                  8034,
 
3249
                  7442,
 
3250
                  6157,
 
3251
                  8201,
 
3252
                  8444,
 
3253
                  7565,
 
3254
                  6772,
 
3255
                  5557,
 
3256
                  8399,
 
3257
                  9012,
 
3258
                  7446,
 
3259
                  6750,
 
3260
                  5690,
 
3261
                  4617,
 
3262
                  7748,
 
3263
                  8609,
 
3264
                  8164,
 
3265
                  9767,
 
3266
                  6005,
 
3267
                  5054,
 
3268
                  3799,
 
3269
                  2653,
 
3270
                  5754,
 
3271
                  4882,
 
3272
                  4026,
 
3273
                  4982,
 
3274
                  3194,
 
3275
                  4144,
 
3276
                  3292,
 
3277
                  3989,
 
3278
                  2790,
 
3279
                  1914,
 
3280
                  684,
 
3281
                  3240,
 
3282
                  3730,
 
3283
                  3322,
 
3284
                  4539,
 
3285
                  2571,
 
3286
                  1741,
 
3287
                  1003,
 
3288
                  -188,
 
3289
                  2608,
 
3290
                  1805,
 
3291
                  3005,
 
3292
                  1720,
 
3293
                  1126,
 
3294
                  -111,
 
3295
                  -1103,
 
3296
                  2240,
 
3297
                  1649,
 
3298
                  -100,
 
3299
                  -1213,
 
3300
                  -2408,
 
3301
                  -3506,
 
3302
                  -731,
 
3303
                  206,
 
3304
                  -615,
 
3305
                  -1337,
 
3306
                  -2430,
 
3307
                  -3032,
 
3308
                  -2898,
 
3309
                  -2203,
 
3310
                  -3325,
 
3311
                  -4619,
 
3312
                  -5686,
 
3313
                  -2862,
 
3314
                  -1991,
 
3315
                  -1633,
 
3316
                  -2767,
 
3317
                  -4543,
 
3318
                  -5796,
 
3319
                  -6322,
 
3320
                  -7421,
 
3321
                  -5472,
 
3322
                  -3993,
 
3323
                  -3407,
 
3324
                  -5559,
 
3325
                  -6018,
 
3326
                  -5280,
 
3327
                  -5730,
 
3328
                  -4262,
 
3329
                  -3513,
 
3330
                  -3042,
 
3331
                  -2523,
 
3332
                  -2224,
 
3333
                  -2622,
 
3334
                  -1550,
 
3335
                  -3176,
 
3336
                  -2696,
 
3337
                  -1225,
 
3338
                  -381,
 
3339
                  -2920,
 
3340
                  -3996,
 
3341
                  -3811,
 
3342
                  -921,
 
3343
                  500,
 
3344
                  1409,
 
3345
                  2539,
 
3346
                  660,
 
3347
                  63,
 
3348
                  391,
 
3349
                  680,
 
3350
                  291,
 
3351
                  966,
 
3352
                  1912,
 
3353
                  2349,
 
3354
                  3494,
 
3355
                  1246,
 
3356
                  1404,
 
3357
                  1756,
 
3358
                  2644,
 
3359
                  3578,
 
3360
                  462,
 
3361
                  -128,
 
3362
                  810,
 
3363
                  757,
 
3364
                  2312,
 
3365
                  3187,
 
3366
                  4596,
 
3367
                  5546,
 
3368
                  2539,
 
3369
                  1021,
 
3370
                  4693,
 
3371
                  6026,
 
3372
                  6881,
 
3373
                  8024,
 
3374
                  5829,
 
3375
                  6357,
 
3376
                  7193,
 
3377
                  7434,
 
3378
                  8468,
 
3379
                  6613,
 
3380
                  5230,
 
3381
                  6699,
 
3382
                  6511,
 
3383
                  6657,
 
3384
                  7815,
 
3385
                  8545,
 
3386
                  5322,
 
3387
                  5354,
 
3388
                  5644,
 
3389
                  5099,
 
3390
                  5672,
 
3391
                  5156,
 
3392
                  5429,
 
3393
                  5458,
 
3394
                  7994,
 
3395
                  8949,
 
3396
                  10229,
 
3397
                  11185,
 
3398
                  8225,
 
3399
                  7823,
 
3400
                  7034,
 
3401
                  10241,
 
3402
                  11359,
 
3403
                  11105,
 
3404
                  11954,
 
3405
                  9991,
 
3406
                  9635,
 
3407
                  9206,
 
3408
                  8944,
 
3409
                  8529,
 
3410
                  8880,
 
3411
                  9173,
 
3412
                  8822,
 
3413
                  7743,
 
3414
                  7552,
 
3415
                  10085,
 
3416
                  10670,
 
3417
                  11137,
 
3418
                  11781,
 
3419
                  7038,
 
3420
                  6035,
 
3421
                  6559,
 
3422
                  6945,
 
3423
                  4681,
 
3424
                  4163,
 
3425
                  3628,
 
3426
                  2937,
 
3427
                  6535,
 
3428
                  6940,
 
3429
                  5818,
 
3430
                  4969,
 
3431
                  8284,
 
3432
                  8067,
 
3433
                  9434,
 
3434
                  9218,
 
3435
                  5806,
 
3436
                  4737,
 
3437
                  4948,
 
3438
                  3944,
 
3439
                  4782,
 
3440
                  5907,
 
3441
                  6596,
 
3442
                  6217,
 
3443
                  6513,
 
3444
                  6427,
 
3445
                  5877,
 
3446
                  7032,
 
3447
                  7019,
 
3448
                  8395,
 
3449
                  8435,
 
3450
                  6275,
 
3451
                  9435,
 
3452
                  10809,
 
3453
                  11520,
 
3454
                  11947,
 
3455
                  11593,
 
3456
                  10708,
 
3457
                  12961,
 
3458
                  11642,
 
3459
                  12298,
 
3460
                  13784,
 
3461
                  14362,
 
3462
                  11996,
 
3463
                  10237,
 
3464
                  14425,
 
3465
                  15876,
 
3466
                  16593,
 
3467
                  16033,
 
3468
                  16145,
 
3469
                  14996,
 
3470
                  13779,
 
3471
                  17884,
 
3472
                  18690,
 
3473
                  18871,
 
3474
                  19166,
 
3475
                  18715,
 
3476
                  18836,
 
3477
                  17469,
 
3478
                  17427,
 
3479
                  19579,
 
3480
                  18958,
 
3481
                  18211,
 
3482
                  19264,
 
3483
                  16424,
 
3484
                  15081,
 
3485
                  14612,
 
3486
                  13567,
 
3487
                  14071,
 
3488
                  14399,
 
3489
                  15331,
 
3490
                  13762,
 
3491
                  15609,
 
3492
                  14048,
 
3493
                  14996,
 
3494
                  15269,
 
3495
                  15421,
 
3496
                  15246,
 
3497
                  14279,
 
3498
                  14038,
 
3499
                  16681,
 
3500
                  13739,
 
3501
                  12878,
 
3502
                  11454,
 
3503
                  11026,
 
3504
                  13501,
 
3505
                  14921,
 
3506
                  15885,
 
3507
                  15015,
 
3508
                  10746
 
3509
                }
 
3510
              },
 
3511
              temperature-factors isotropic {
 
3512
                scale-factor 1000,
 
3513
                b {
 
3514
                  13789,
 
3515
                  10800,
 
3516
                  9189,
 
3517
                  9850,
 
3518
                  13020,
 
3519
                  15060,
 
3520
                  14229,
 
3521
                  7809,
 
3522
                  8310,
 
3523
                  5800,
 
3524
                  6940,
 
3525
                  10319,
 
3526
                  12810,
 
3527
                  11899,
 
3528
                  5239,
 
3529
                  5389,
 
3530
                  4449,
 
3531
                  6539,
 
3532
                  5989,
 
3533
                  7010,
 
3534
                  3900,
 
3535
                  4239,
 
3536
                  3720,
 
3537
                  5300,
 
3538
                  4409,
 
3539
                  4719,
 
3540
                  3960,
 
3541
                  4250,
 
3542
                  4960,
 
3543
                  7440,
 
3544
                  5110,
 
3545
                  5239,
 
3546
                  5199,
 
3547
                  4829,
 
3548
                  4449,
 
3549
                  4989,
 
3550
                  4610,
 
3551
                  5050,
 
3552
                  6389,
 
3553
                  4940,
 
3554
                  6329,
 
3555
                  5320,
 
3556
                  6849,
 
3557
                  8430,
 
3558
                  9779,
 
3559
                  11699,
 
3560
                  9920,
 
3561
                  5019,
 
3562
                  6929,
 
3563
                  5389,
 
3564
                  6300,
 
3565
                  9640,
 
3566
                  13850,
 
3567
                  11970,
 
3568
                  3730,
 
3569
                  3559,
 
3570
                  4130,
 
3571
                  4360,
 
3572
                  4800,
 
3573
                  3730,
 
3574
                  3380,
 
3575
                  3470,
 
3576
                  4670,
 
3577
                  3950,
 
3578
                  4550,
 
3579
                  5889,
 
3580
                  6199,
 
3581
                  7519,
 
3582
                  10680,
 
3583
                  9479,
 
3584
                  5190,
 
3585
                  4599,
 
3586
                  4840,
 
3587
                  5840,
 
3588
                  5909,
 
3589
                  8380,
 
3590
                  3539,
 
3591
                  4570,
 
3592
                  4139,
 
3593
                  5519,
 
3594
                  6420,
 
3595
                  8250,
 
3596
                  12720,
 
3597
                  9920,
 
3598
                  3430,
 
3599
                  3490,
 
3600
                  3400,
 
3601
                  4070,
 
3602
                  5480,
 
3603
                  5570,
 
3604
                  6989,
 
3605
                  6519,
 
3606
                  8199,
 
3607
                  6340,
 
3608
                  6840,
 
3609
                  3640,
 
3610
                  4309,
 
3611
                  3980,
 
3612
                  6219,
 
3613
                  5809,
 
3614
                  6820,
 
3615
                  9430,
 
3616
                  8210,
 
3617
                  3759,
 
3618
                  3980,
 
3619
                  3799,
 
3620
                  4849,
 
3621
                  4710,
 
3622
                  6670,
 
3623
                  6260,
 
3624
                  3789,
 
3625
                  3539,
 
3626
                  3480,
 
3627
                  4630,
 
3628
                  4579,
 
3629
                  5659,
 
3630
                  3990,
 
3631
                  3829,
 
3632
                  3789,
 
3633
                  5389,
 
3634
                  4110,
 
3635
                  4690,
 
3636
                  5099,
 
3637
                  4710,
 
3638
                  5280,
 
3639
                  6670,
 
3640
                  6409,
 
3641
                  4699,
 
3642
                  5460,
 
3643
                  5130,
 
3644
                  5550,
 
3645
                  6469,
 
3646
                  7429,
 
3647
                  8699,
 
3648
                  9390,
 
3649
                  4280,
 
3650
                  5380,
 
3651
                  6300,
 
3652
                  9619,
 
3653
                  5869,
 
3654
                  6469,
 
3655
                  6449,
 
3656
                  4940,
 
3657
                  5389,
 
3658
                  5030,
 
3659
                  7340,
 
3660
                  4099,
 
3661
                  3940,
 
3662
                  3960,
 
3663
                  5820,
 
3664
                  4130,
 
3665
                  5449,
 
3666
                  5409,
 
3667
                  5039,
 
3668
                  4690,
 
3669
                  4190,
 
3670
                  4469,
 
3671
                  7119,
 
3672
                  7030,
 
3673
                  4900,
 
3674
                  5159,
 
3675
                  5309,
 
3676
                  4110,
 
3677
                  5110,
 
3678
                  6159,
 
3679
                  7480,
 
3680
                  9399,
 
3681
                  10399,
 
3682
                  13319,
 
3683
                  4559,
 
3684
                  4489,
 
3685
                  4099,
 
3686
                  5639,
 
3687
                  5800,
 
3688
                  4369,
 
3689
                  5440,
 
3690
                  4320,
 
3691
                  4719,
 
3692
                  6420,
 
3693
                  7500,
 
3694
                  7650,
 
3695
                  7800,
 
3696
                  3920,
 
3697
                  4369,
 
3698
                  3950,
 
3699
                  4739,
 
3700
                  4630,
 
3701
                  5610,
 
3702
                  3890,
 
3703
                  4429,
 
3704
                  4260,
 
3705
                  5440,
 
3706
                  5360,
 
3707
                  4530,
 
3708
                  5079,
 
3709
                  4619,
 
3710
                  7800,
 
3711
                  6030,
 
3712
                  7190,
 
3713
                  7340,
 
3714
                  5010,
 
3715
                  6599,
 
3716
                  4920,
 
3717
                  7130,
 
3718
                  9659,
 
3719
                  11560,
 
3720
                  12850,
 
3721
                  14439,
 
3722
                  16610,
 
3723
                  17110,
 
3724
                  19989,
 
3725
                  28979,
 
3726
                  5309,
 
3727
                  5699,
 
3728
                  6280,
 
3729
                  8770,
 
3730
                  6550,
 
3731
                  6570,
 
3732
                  7289,
 
3733
                  4989,
 
3734
                  5500,
 
3735
                  4190,
 
3736
                  6119,
 
3737
                  4300,
 
3738
                  4889,
 
3739
                  5500,
 
3740
                  5820,
 
3741
                  4659,
 
3742
                  5329,
 
3743
                  6019,
 
3744
                  5239,
 
3745
                  5159,
 
3746
                  7190,
 
3747
                  5489,
 
3748
                  6849,
 
3749
                  6449,
 
3750
                  8939,
 
3751
                  5519,
 
3752
                  6820,
 
3753
                  6920,
 
3754
                  9220,
 
3755
                  8109,
 
3756
                  9590,
 
3757
                  9729,
 
3758
                  13409,
 
3759
                  7059,
 
3760
                  7519,
 
3761
                  6630,
 
3762
                  7900,
 
3763
                  8069,
 
3764
                  9409,
 
3765
                  9460,
 
3766
                  9850,
 
3767
                  8069,
 
3768
                  8779,
 
3769
                  8310,
 
3770
                  9090,
 
3771
                  9670,
 
3772
                  10149,
 
3773
                  9529,
 
3774
                  8479,
 
3775
                  9199,
 
3776
                  10409,
 
3777
                  12060,
 
3778
                  9239,
 
3779
                  9239,
 
3780
                  9600,
 
3781
                  13649,
 
3782
                  10430,
 
3783
                  8699,
 
3784
                  9460,
 
3785
                  8319,
 
3786
                  9890,
 
3787
                  10720,
 
3788
                  11659,
 
3789
                  11810,
 
3790
                  7639,
 
3791
                  8050,
 
3792
                  7630,
 
3793
                  9640,
 
3794
                  7800,
 
3795
                  7300,
 
3796
                  8000,
 
3797
                  8960,
 
3798
                  9060,
 
3799
                  8819,
 
3800
                  10390,
 
3801
                  10989,
 
3802
                  10489,
 
3803
                  7550,
 
3804
                  8000,
 
3805
                  7219,
 
3806
                  8409,
 
3807
                  5539,
 
3808
                  5849,
 
3809
                  5869,
 
3810
                  7289,
 
3811
                  6719,
 
3812
                  8590,
 
3813
                  9590,
 
3814
                  11449,
 
3815
                  5219,
 
3816
                  5559,
 
3817
                  4610,
 
3818
                  6039,
 
3819
                  5409,
 
3820
                  5340,
 
3821
                  6590,
 
3822
                  5940,
 
3823
                  5969,
 
3824
                  5170,
 
3825
                  5960,
 
3826
                  8600,
 
3827
                  4760,
 
3828
                  5889,
 
3829
                  6670,
 
3830
                  7559,
 
3831
                  6820,
 
3832
                  5800,
 
3833
                  6150,
 
3834
                  6610,
 
3835
                  7179,
 
3836
                  7269,
 
3837
                  7980,
 
3838
                  11000,
 
3839
                  10319,
 
3840
                  7860
 
3841
                }
 
3842
              }
 
3843
            }
 
3844
          },
 
3845
          {
 
3846
            id 2,
 
3847
            descr {
 
3848
              other-comment "strand"
 
3849
            },
 
3850
            coordinates literal surface {
 
3851
              contents residues interval {
 
3852
                {
 
3853
                  molecule-id 1,
 
3854
                  from 1,
 
3855
                  to 4
 
3856
                }
 
3857
              },
 
3858
              surface brick {
 
3859
                corner-000 {
 
3860
                  scale-factor 1000000,
 
3861
                  x 16714633,
 
3862
                  y 11923621,
 
3863
                  z 3804405
 
3864
                },
 
3865
                corner-001 {
 
3866
                  scale-factor 1000000,
 
3867
                  x 15691615,
 
3868
                  y 13635873,
 
3869
                  z 3951460
 
3870
                },
 
3871
                corner-010 {
 
3872
                  scale-factor 1000000,
 
3873
                  x 16700384,
 
3874
                  y 11916126,
 
3875
                  z 3792539
 
3876
                },
 
3877
                corner-011 {
 
3878
                  scale-factor 1000000,
 
3879
                  x 15677366,
 
3880
                  y 13628378,
 
3881
                  z 3939594
 
3882
                },
 
3883
                corner-100 {
 
3884
                  scale-factor 1000000,
 
3885
                  x 11884633,
 
3886
                  y 8345621,
 
3887
                  z 11864405
 
3888
                },
 
3889
                corner-101 {
 
3890
                  scale-factor 1000000,
 
3891
                  x 10861615,
 
3892
                  y 10057873,
 
3893
                  z 12011460
 
3894
                },
 
3895
                corner-110 {
 
3896
                  scale-factor 1000000,
 
3897
                  x 11870384,
 
3898
                  y 8338126,
 
3899
                  z 11852539
 
3900
                },
 
3901
                corner-111 {
 
3902
                  scale-factor 1000000,
 
3903
                  x 10847366,
 
3904
                  y 10050378,
 
3905
                  z 11999594
 
3906
                }
 
3907
              }
 
3908
            }
 
3909
          },
 
3910
          {
 
3911
            id 3,
 
3912
            descr {
 
3913
              other-comment "helix"
 
3914
            },
 
3915
            coordinates literal surface {
 
3916
              contents residues interval {
 
3917
                {
 
3918
                  molecule-id 1,
 
3919
                  from 7,
 
3920
                  to 17
 
3921
                }
 
3922
              },
 
3923
              surface cylinder {
 
3924
                axis-top {
 
3925
                  scale-factor 1000000,
 
3926
                  x 4367000,
 
3927
                  y 4819000,
 
3928
                  z -1066000
 
3929
                },
 
3930
                axis-bottom {
 
3931
                  scale-factor 1000000,
 
3932
                  x 7276000,
 
3933
                  y 3457000,
 
3934
                  z 13707000
 
3935
                },
 
3936
                radius {
 
3937
                  scale-factor 1,
 
3938
                  scaled-integer-value 2
 
3939
                }
 
3940
              }
 
3941
            }
 
3942
          },
 
3943
          {
 
3944
            id 4,
 
3945
            descr {
 
3946
              other-comment "helix"
 
3947
            },
 
3948
            coordinates literal surface {
 
3949
              contents residues interval {
 
3950
                {
 
3951
                  molecule-id 1,
 
3952
                  from 23,
 
3953
                  to 31
 
3954
                }
 
3955
              },
 
3956
              surface cylinder {
 
3957
                axis-top {
 
3958
                  scale-factor 1000000,
 
3959
                  x 2430000,
 
3960
                  y 12003000,
 
3961
                  z 10412000
 
3962
                },
 
3963
                axis-bottom {
 
3964
                  scale-factor 1000000,
 
3965
                  x 6252000,
 
3966
                  y 14439000,
 
3967
                  z 125000
 
3968
                },
 
3969
                radius {
 
3970
                  scale-factor 1,
 
3971
                  scaled-integer-value 2
 
3972
                }
 
3973
              }
 
3974
            }
 
3975
          },
 
3976
          {
 
3977
            id 5,
 
3978
            descr {
 
3979
              other-comment "strand"
 
3980
            },
 
3981
            coordinates literal surface {
 
3982
              contents residues interval {
 
3983
                {
 
3984
                  molecule-id 1,
 
3985
                  from 32,
 
3986
                  to 35
 
3987
                }
 
3988
              },
 
3989
              surface brick {
 
3990
                corner-000 {
 
3991
                  scale-factor 1000000,
 
3992
                  x 8273273,
 
3993
                  y 11611786,
 
3994
                  z 9799259
 
3995
                },
 
3996
                corner-001 {
 
3997
                  scale-factor 1000000,
 
3998
                  x 7231853,
 
3999
                  y 13318548,
 
4000
                  z 9848319
 
4001
                },
 
4002
                corner-010 {
 
4003
                  scale-factor 1000000,
 
4004
                  x 8280146,
 
4005
                  y 11615451,
 
4006
                  z 9817680
 
4007
                },
 
4008
                corner-011 {
 
4009
                  scale-factor 1000000,
 
4010
                  x 7238726,
 
4011
                  y 13322213,
 
4012
                  z 9866740
 
4013
                },
 
4014
                corner-100 {
 
4015
                  scale-factor 1000000,
 
4016
                  x 16046273,
 
4017
                  y 16465786,
 
4018
                  z 5933259
 
4019
                },
 
4020
                corner-101 {
 
4021
                  scale-factor 1000000,
 
4022
                  x 15004853,
 
4023
                  y 18172548,
 
4024
                  z 5982319
 
4025
                },
 
4026
                corner-110 {
 
4027
                  scale-factor 1000000,
 
4028
                  x 16053146,
 
4029
                  y 16469451,
 
4030
                  z 5951680
 
4031
                },
 
4032
                corner-111 {
 
4033
                  scale-factor 1000000,
 
4034
                  x 15011726,
 
4035
                  y 18176213,
 
4036
                  z 6000740
 
4037
                }
 
4038
              }
 
4039
            }
 
4040
          }
 
4041
        }
 
4042
      }
 
4043
    }
 
4044
  },
 
4045
  sequences {
 
4046
    seq {
 
4047
      id {
 
4048
        pdb {
 
4049
          mol "1CRN",
 
4050
          chain 65,
 
4051
          rel std {
 
4052
            year 1981,
 
4053
            month 4,
 
4054
            day 30
 
4055
          }
 
4056
        },
 
4057
        gi 157830695
 
4058
      },
 
4059
      descr {
 
4060
        pdb {
 
4061
          deposition std {
 
4062
            year 1981,
 
4063
            month 4,
 
4064
            day 30
 
4065
          },
 
4066
          class "Plant Seed Protein",
 
4067
          compound {
 
4068
            "Water Structure Of A Hydrophobic Protein At Atomic Resolution.
 
4069
 Pentagon Rings Of Water Molecules In Crystals Of Crambin"
 
4070
          },
 
4071
          source {
 
4072
            "Mol_id: 1; Organism_scientific: Crambe Abyssinica"
 
4073
          }
 
4074
        },
 
4075
        source {
 
4076
          org {
 
4077
            taxname "Crambe hispanica subsp. abyssinica",
 
4078
            db {
 
4079
              {
 
4080
                db "taxon",
 
4081
                tag id 3721
 
4082
              }
 
4083
            },
 
4084
            syn {
 
4085
              "Crambe hispanica subsp. abyssinica (Hochst. ex R.E.Fr.) Prina",
 
4086
              "Crambe abyssinica Hochst. ex R.E.Fr.",
 
4087
              "Crambe abyssinica",
 
4088
              "Abyssinian crambe",
 
4089
              "Abyssinian kale"
 
4090
            },
 
4091
            orgname {
 
4092
              name binomial {
 
4093
                genus "Crambe",
 
4094
                species "hispanica",
 
4095
                subspecies "subsp. abyssinica"
 
4096
              },
 
4097
              mod {
 
4098
                {
 
4099
                  subtype sub-species,
 
4100
                  subname "abyssinica"
 
4101
                }
 
4102
              },
 
4103
              lineage "Eukaryota; Viridiplantae; Streptophyta; Embryophyta;
 
4104
 Tracheophyta; Spermatophyta; Magnoliophyta; eudicotyledons; core
 
4105
 eudicotyledons; rosids; eurosids II; Brassicales; Brassicaceae; Crambe",
 
4106
              gcode 1,
 
4107
              mgcode 1,
 
4108
              div "PLN"
 
4109
            }
 
4110
          }
 
4111
        }
 
4112
      },
 
4113
      inst {
 
4114
        repr raw,
 
4115
        mol aa,
 
4116
        length 46,
 
4117
        seq-data iupacaa "TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN"
 
4118
      }
 
4119
    }
 
4120
  },
 
4121
  style-dictionary {
 
4122
    global-style {
 
4123
      protein-backbone {
 
4124
        type trace,
 
4125
        style tube-worm,
 
4126
        color-scheme secondary-structure,
 
4127
        user-color {
 
4128
          scale-factor 10000,
 
4129
          red 5000,
 
4130
          green 5000,
 
4131
          blue 5000,
 
4132
          alpha 10000
 
4133
        }
 
4134
      },
 
4135
      nucleotide-backbone {
 
4136
        type trace,
 
4137
        style tube-worm,
 
4138
        color-scheme molecule,
 
4139
        user-color {
 
4140
          scale-factor 10000,
 
4141
          red 5000,
 
4142
          green 5000,
 
4143
          blue 5000,
 
4144
          alpha 10000
 
4145
        }
 
4146
      },
 
4147
      protein-sidechains {
 
4148
        is-on FALSE,
 
4149
        style wire,
 
4150
        color-scheme element,
 
4151
        user-color {
 
4152
          scale-factor 10000,
 
4153
          red 5000,
 
4154
          green 5000,
 
4155
          blue 5000,
 
4156
          alpha 10000
 
4157
        }
 
4158
      },
 
4159
      nucleotide-sidechains {
 
4160
        is-on FALSE,
 
4161
        style wire,
 
4162
        color-scheme element,
 
4163
        user-color {
 
4164
          scale-factor 10000,
 
4165
          red 5000,
 
4166
          green 5000,
 
4167
          blue 5000,
 
4168
          alpha 10000
 
4169
        }
 
4170
      },
 
4171
      heterogens {
 
4172
        is-on TRUE,
 
4173
        style ball-and-stick,
 
4174
        color-scheme element,
 
4175
        user-color {
 
4176
          scale-factor 10000,
 
4177
          red 5000,
 
4178
          green 5000,
 
4179
          blue 5000,
 
4180
          alpha 10000
 
4181
        }
 
4182
      },
 
4183
      solvents {
 
4184
        is-on FALSE,
 
4185
        style ball-and-stick,
 
4186
        color-scheme element,
 
4187
        user-color {
 
4188
          scale-factor 10000,
 
4189
          red 5000,
 
4190
          green 5000,
 
4191
          blue 5000,
 
4192
          alpha 10000
 
4193
        }
 
4194
      },
 
4195
      connections {
 
4196
        is-on TRUE,
 
4197
        style tubes,
 
4198
        color-scheme user-select,
 
4199
        user-color {
 
4200
          scale-factor 10000,
 
4201
          red 9000,
 
4202
          green 9000,
 
4203
          blue 10000,
 
4204
          alpha 10000
 
4205
        }
 
4206
      },
 
4207
      helix-objects {
 
4208
        is-on TRUE,
 
4209
        style with-arrows,
 
4210
        color-scheme secondary-structure,
 
4211
        user-color {
 
4212
          scale-factor 10000,
 
4213
          red 5000,
 
4214
          green 5000,
 
4215
          blue 5000,
 
4216
          alpha 10000
 
4217
        }
 
4218
      },
 
4219
      strand-objects {
 
4220
        is-on TRUE,
 
4221
        style with-arrows,
 
4222
        color-scheme secondary-structure,
 
4223
        user-color {
 
4224
          scale-factor 10000,
 
4225
          red 5000,
 
4226
          green 5000,
 
4227
          blue 5000,
 
4228
          alpha 10000
 
4229
        }
 
4230
      },
 
4231
      virtual-disulfides-on TRUE,
 
4232
      virtual-disulfide-color {
 
4233
        scale-factor 10000,
 
4234
        red 9300,
 
4235
        green 5500,
 
4236
        blue 500,
 
4237
        alpha 10000
 
4238
      },
 
4239
      hydrogens-on TRUE,
 
4240
      background-color {
 
4241
        scale-factor 10000,
 
4242
        red 0,
 
4243
        green 0,
 
4244
        blue 0,
 
4245
        alpha 10000
 
4246
      },
 
4247
      scale-factor 10000,
 
4248
      space-fill-proportion 10000,
 
4249
      ball-radius 4000,
 
4250
      stick-radius 2000,
 
4251
      tube-radius 3000,
 
4252
      tube-worm-radius 3000,
 
4253
      helix-radius 18000,
 
4254
      strand-width 20000,
 
4255
      strand-thickness 5000,
 
4256
      protein-labels {
 
4257
        spacing 0,
 
4258
        type three-letter,
 
4259
        number sequential,
 
4260
        termini FALSE,
 
4261
        white TRUE
 
4262
      },
 
4263
      nucleotide-labels {
 
4264
        spacing 0,
 
4265
        type three-letter,
 
4266
        number sequential,
 
4267
        termini FALSE,
 
4268
        white TRUE
 
4269
      },
 
4270
      ion-labels TRUE
 
4271
    }
 
4272
  },
 
4273
  user-annotations {
 
4274
    view {
 
4275
      camera-distance { 528460927488816, 10, -13 },
 
4276
      camera-angle-rad { 610865238198015, 10, -15 },
 
4277
      camera-look-at-X { 0, 10, 0 },
 
4278
      camera-look-at-Y { 0, 10, 0 },
 
4279
      camera-clip-near { 243902776775804, 10, -13 },
 
4280
      camera-clip-far { 824846631835331, 10, -13 },
 
4281
      matrix {
 
4282
        m0 { 756122708320618, 10, -15 },
 
4283
        m1 { -448594018816948, 10, -16 },
 
4284
        m2 { -652889966964722, 10, -15 },
 
4285
        m3 { 0, 10, 0 },
 
4286
        m4 { 23760224878788, 10, -14 },
 
4287
        m5 { 948391020298004, 10, -15 },
 
4288
        m6 { 210007518529892, 10, -15 },
 
4289
        m7 { 0, 10, 0 },
 
4290
        m8 { 609773278236389, 10, -15 },
 
4291
        m9 { -313919514417648, 10, -15 },
 
4292
        m10 { 727758526802063, 10, -15 },
 
4293
        m11 { 0, 10, 0 },
 
4294
        m12 { -135815353393555, 10, -13 },
 
4295
        m13 { -667890644073486, 10, -14 },
 
4296
        m14 { -107414162158966, 10, -14 },
 
4297
        m15 { 1, 10, 0 }
 
4298
      },
 
4299
      rotation-center {
 
4300
        x { 926840366972477, 10, -14 },
 
4301
        y { 978676758409786, 10, -14 },
 
4302
        z { 696673088685015, 10, -14 }
 
4303
      }
 
4304
    }
 
4305
  }
 
4306
}