lcpo_test.pdb 56.1 KB
Newer Older
Evan Pretti's avatar
Evan Pretti committed
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
REMARK   1 CREATED WITH OPENMM 8.4, 2025-12-02
ATOM      1  N   ALA A   1       3.268  -3.281  -0.054  1.00  0.00           N  
ATOM      2  H   ALA A   1       3.660  -4.063   0.446  1.00  0.00           H  
ATOM      3  H2  ALA A   1       2.275  -3.450  -0.160  1.00  0.00           H  
ATOM      4  H3  ALA A   1       3.404  -2.438   0.498  1.00  0.00           H  
ATOM      5  CA  ALA A   1       3.903  -3.119  -1.369  1.00  0.00           C  
ATOM      6  HA  ALA A   1       3.334  -2.363  -1.910  1.00  0.00           H  
ATOM      7  CB  ALA A   1       5.327  -2.567  -1.204  1.00  0.00           C  
ATOM      8  HB1 ALA A   1       5.956  -3.296  -0.691  1.00  0.00           H  
ATOM      9  HB2 ALA A   1       5.756  -2.345  -2.183  1.00  0.00           H  
ATOM     10  HB3 ALA A   1       5.299  -1.642  -0.626  1.00  0.00           H  
ATOM     11  C   ALA A   1       3.855  -4.389  -2.239  1.00  0.00           C  
ATOM     12  O   ALA A   1       4.708  -4.541  -3.108  1.00  0.00           O  
ATOM     13  N   CYS A   2       2.862  -5.280  -2.090  1.00  0.00           N  
ATOM     14  H   CYS A   2       2.263  -5.227  -1.268  1.00  0.00           H  
ATOM     15  CA  CYS A   2       2.436  -6.208  -3.150  1.00  0.00           C  
ATOM     16  HA  CYS A   2       2.468  -5.623  -4.062  1.00  0.00           H  
ATOM     17  CB  CYS A   2       3.426  -7.366  -3.337  1.00  0.00           C  
ATOM     18  HB2 CYS A   2       4.436  -7.029  -3.107  1.00  0.00           H  
ATOM     19  HB3 CYS A   2       3.173  -8.160  -2.636  1.00  0.00           H  
ATOM     20  SG  CYS A   2       3.432  -8.041  -5.024  1.00  0.00           S  
ATOM     21  C   CYS A   2       0.956  -6.643  -3.018  1.00  0.00           C  
ATOM     22  O   CYS A   2       0.549  -7.754  -3.365  1.00  0.00           O  
ATOM     23  N   ASP A   3       0.142  -5.722  -2.511  1.00  0.00           N  
ATOM     24  H   ASP A   3       0.585  -4.855  -2.225  1.00  0.00           H  
ATOM     25  CA  ASP A   3      -1.308  -5.784  -2.306  1.00  0.00           C  
ATOM     26  HA  ASP A   3      -1.800  -6.316  -3.122  1.00  0.00           H  
ATOM     27  CB  ASP A   3      -1.574  -6.494  -0.975  1.00  0.00           C  
ATOM     28  HB2 ASP A   3      -1.129  -7.479  -0.983  1.00  0.00           H  
ATOM     29  HB3 ASP A   3      -1.062  -5.929  -0.221  1.00  0.00           H  
ATOM     30  CG  ASP A   3      -3.019  -6.584  -0.513  1.00  0.00           C  
ATOM     31  OD1 ASP A   3      -3.536  -7.604  -0.080  1.00  0.00           O  
ATOM     32  OD2 ASP A   3      -3.684  -5.411  -0.519  1.00  0.00           O  
ATOM     33  HD2 ASP A   3      -4.568  -5.529  -0.105  1.00  0.00           H  
ATOM     34  C   ASP A   3      -1.781  -4.327  -2.288  1.00  0.00           C  
ATOM     35  O   ASP A   3      -2.377  -3.862  -3.258  1.00  0.00           O  
ATOM     36  N   GLU A   4      -1.313  -3.565  -1.286  1.00  0.00           N  
ATOM     37  H   GLU A   4      -0.831  -4.023  -0.521  1.00  0.00           H  
ATOM     38  CA  GLU A   4      -0.970  -2.170  -1.514  1.00  0.00           C  
ATOM     39  HA  GLU A   4      -1.867  -1.657  -1.849  1.00  0.00           H  
ATOM     40  CB  GLU A   4      -0.518  -1.520  -0.194  1.00  0.00           C  
ATOM     41  HB2 GLU A   4      -1.354  -1.561   0.507  1.00  0.00           H  
ATOM     42  HB3 GLU A   4       0.306  -2.088   0.238  1.00  0.00           H  
ATOM     43  CG  GLU A   4      -0.100  -0.050  -0.356  1.00  0.00           C  
ATOM     44  HG2 GLU A   4      -0.825   0.473  -0.981  1.00  0.00           H  
ATOM     45  HG3 GLU A   4      -0.100   0.429   0.623  1.00  0.00           H  
ATOM     46  CD  GLU A   4       1.299   0.092  -0.946  1.00  0.00           C  
ATOM     47  OE1 GLU A   4       2.244  -0.647  -0.712  1.00  0.00           O  
ATOM     48  OE2 GLU A   4       1.448   1.097  -1.824  1.00  0.00           O  
ATOM     49  HE2 GLU A   4       2.361   1.043  -2.113  1.00  0.00           H  
ATOM     50  C   GLU A   4       0.086  -2.172  -2.637  1.00  0.00           C  
ATOM     51  O   GLU A   4       1.066  -2.917  -2.550  1.00  0.00           O  
HETATM   52  N   LYN A   5      -0.186  -1.447  -3.723  1.00  0.00           N  
HETATM   53  H   LYN A   5      -1.016  -0.866  -3.655  1.00  0.00           H  
HETATM   54  CA  LYN A   5       0.227  -1.796  -5.092  1.00  0.00           C  
HETATM   55  HA  LYN A   5      -0.406  -2.631  -5.393  1.00  0.00           H  
HETATM   56  CB  LYN A   5      -0.102  -0.598  -6.005  1.00  0.00           C  
HETATM   57  HB2 LYN A   5      -0.852   0.032  -5.527  1.00  0.00           H  
HETATM   58  HB3 LYN A   5       0.799   0.006  -6.099  1.00  0.00           H  
HETATM   59  CG  LYN A   5      -0.631  -0.927  -7.414  1.00  0.00           C  
HETATM   60  HG2 LYN A   5      -1.596  -1.430  -7.335  1.00  0.00           H  
HETATM   61  HG3 LYN A   5      -0.782   0.017  -7.938  1.00  0.00           H  
HETATM   62  CD  LYN A   5       0.330  -1.810  -8.216  1.00  0.00           C  
HETATM   63  HD2 LYN A   5       1.335  -1.428  -8.084  1.00  0.00           H  
HETATM   64  HD3 LYN A   5       0.285  -2.825  -7.824  1.00  0.00           H  
HETATM   65  CE  LYN A   5       0.042  -1.884  -9.714  1.00  0.00           C  
HETATM   66  HE2 LYN A   5       0.728  -2.600 -10.164  1.00  0.00           H  
HETATM   67  HE3 LYN A   5      -0.980  -2.224  -9.874  1.00  0.00           H  
HETATM   68  NZ  LYN A   5       0.228  -0.589 -10.387  1.00  0.00           N  
HETATM   69  HZ2 LYN A   5       0.198  -0.786 -11.378  1.00  0.00           H  
HETATM   70  HZ3 LYN A   5      -0.656  -0.095 -10.221  1.00  0.00           H  
HETATM   71  C   LYN A   5       1.705  -2.235  -5.247  1.00  0.00           C  
HETATM   72  O   LYN A   5       2.629  -1.491  -4.922  1.00  0.00           O  
ATOM     73  N   CYS A   6       1.910  -3.434  -5.807  1.00  0.00           N  
ATOM     74  H   CYS A   6       1.100  -3.971  -6.062  1.00  0.00           H  
ATOM     75  CA  CYS A   6       3.228  -4.013  -6.107  1.00  0.00           C  
ATOM     76  HA  CYS A   6       3.788  -4.054  -5.180  1.00  0.00           H  
ATOM     77  CB  CYS A   6       3.040  -5.448  -6.632  1.00  0.00           C  
ATOM     78  HB2 CYS A   6       2.961  -5.417  -7.719  1.00  0.00           H  
ATOM     79  HB3 CYS A   6       2.104  -5.854  -6.249  1.00  0.00           H  
ATOM     80  SG  CYS A   6       4.355  -6.615  -6.175  1.00  0.00           S  
ATOM     81  C   CYS A   6       4.041  -3.154  -7.095  1.00  0.00           C  
ATOM     82  O   CYS A   6       3.473  -2.627  -8.056  1.00  0.00           O  
ATOM     83  N   VAL A   7       5.351  -3.005  -6.869  1.00  0.00           N  
ATOM     84  H   VAL A   7       5.794  -3.555  -6.142  1.00  0.00           H  
ATOM     85  CA  VAL A   7       6.226  -2.015  -7.534  1.00  0.00           C  
ATOM     86  HA  VAL A   7       5.805  -1.773  -8.506  1.00  0.00           H  
ATOM     87  CB  VAL A   7       6.267  -0.723  -6.693  1.00  0.00           C  
ATOM     88  HB  VAL A   7       5.238  -0.430  -6.481  1.00  0.00           H  
ATOM     89  CG1 VAL A   7       6.972  -0.891  -5.342  1.00  0.00           C  
ATOM     90 HG11 VAL A   7       8.019  -1.154  -5.496  1.00  0.00           H  
ATOM     91 HG12 VAL A   7       6.909   0.034  -4.772  1.00  0.00           H  
ATOM     92 HG13 VAL A   7       6.493  -1.688  -4.773  1.00  0.00           H  
ATOM     93  CG2 VAL A   7       6.923   0.429  -7.459  1.00  0.00           C  
ATOM     94 HG21 VAL A   7       6.429   0.557  -8.421  1.00  0.00           H  
ATOM     95 HG22 VAL A   7       6.847   1.350  -6.884  1.00  0.00           H  
ATOM     96 HG23 VAL A   7       7.975   0.201  -7.636  1.00  0.00           H  
ATOM     97  C   VAL A   7       7.612  -2.577  -7.850  1.00  0.00           C  
ATOM     98  O   VAL A   7       8.099  -3.403  -7.049  1.00  0.00           O  
ATOM     99  OXT VAL A   7       8.140  -2.186  -8.914  1.00  0.00           O  
TER     100      VAL A   7
HETATM  101  H1  ACE B   1      -7.943 -13.974   5.331  1.00  0.00           H  
HETATM  102  CH3 ACE B   1      -8.223 -13.239   4.578  1.00  0.00           C  
HETATM  103  H2  ACE B   1      -8.899 -12.506   5.017  1.00  0.00           H  
HETATM  104  H3  ACE B   1      -8.702 -13.732   3.735  1.00  0.00           H  
HETATM  105  C   ACE B   1      -6.977 -12.532   4.098  1.00  0.00           C  
HETATM  106  O   ACE B   1      -5.889 -12.860   4.560  1.00  0.00           O  
ATOM    107  N   ARG B   2      -7.162 -11.594   3.165  1.00  0.00           N  
ATOM    108  H   ARG B   2      -8.109 -11.448   2.847  1.00  0.00           H  
ATOM    109  CA  ARG B   2      -6.166 -10.658   2.615  1.00  0.00           C  
ATOM    110  HA  ARG B   2      -5.560 -10.244   3.428  1.00  0.00           H  
ATOM    111  CB  ARG B   2      -5.251 -11.410   1.622  1.00  0.00           C  
ATOM    112  HB2 ARG B   2      -4.682 -12.157   2.174  1.00  0.00           H  
ATOM    113  HB3 ARG B   2      -5.872 -11.932   0.891  1.00  0.00           H  
ATOM    114  CG  ARG B   2      -4.266 -10.514   0.856  1.00  0.00           C  
ATOM    115  HG2 ARG B   2      -4.836  -9.896   0.161  1.00  0.00           H  
ATOM    116  HG3 ARG B   2      -3.739  -9.866   1.554  1.00  0.00           H  
ATOM    117  CD  ARG B   2      -3.236 -11.343   0.068  1.00  0.00           C  
ATOM    118  HD2 ARG B   2      -2.387 -11.586   0.705  1.00  0.00           H  
ATOM    119  HD3 ARG B   2      -3.704 -12.279  -0.242  1.00  0.00           H  
ATOM    120  NE  ARG B   2      -2.805 -10.643  -1.152  1.00  0.00           N  
ATOM    121  HE  ARG B   2      -3.523 -10.526  -1.868  1.00  0.00           H  
ATOM    122  CZ  ARG B   2      -1.660 -10.074  -1.467  1.00  0.00           C  
ATOM    123  NH1 ARG B   2      -0.598 -10.115  -0.703  1.00  0.00           N  
ATOM    124 HH11 ARG B   2      -0.662 -10.549   0.205  1.00  0.00           H  
ATOM    125 HH12 ARG B   2       0.218  -9.562  -0.949  1.00  0.00           H  
ATOM    126  NH2 ARG B   2      -1.591  -9.430  -2.592  1.00  0.00           N  
ATOM    127 HH21 ARG B   2      -2.482  -9.177  -3.037  1.00  0.00           H  
ATOM    128 HH22 ARG B   2      -0.750  -8.935  -2.865  1.00  0.00           H  
ATOM    129  C   ARG B   2      -6.918  -9.498   1.945  1.00  0.00           C  
ATOM    130  O   ARG B   2      -7.752  -9.740   1.074  1.00  0.00           O  
ATOM    131  N   ASN B   3      -6.668  -8.268   2.380  1.00  0.00           N  
ATOM    132  H   ASN B   3      -6.065  -8.180   3.198  1.00  0.00           H  
ATOM    133  CA  ASN B   3      -7.317  -7.031   1.920  1.00  0.00           C  
ATOM    134  HA  ASN B   3      -8.391  -7.198   1.824  1.00  0.00           H  
ATOM    135  CB  ASN B   3      -7.072  -6.010   3.046  1.00  0.00           C  
ATOM    136  HB2 ASN B   3      -7.404  -6.434   3.993  1.00  0.00           H  
ATOM    137  HB3 ASN B   3      -6.000  -5.827   3.117  1.00  0.00           H  
ATOM    138  CG  ASN B   3      -7.757  -4.668   2.910  1.00  0.00           C  
ATOM    139  OD1 ASN B   3      -8.690  -4.468   2.148  1.00  0.00           O  
ATOM    140  ND2 ASN B   3      -7.327  -3.727   3.717  1.00  0.00           N  
ATOM    141 HD21 ASN B   3      -7.746  -2.813   3.660  1.00  0.00           H  
ATOM    142 HD22 ASN B   3      -6.597  -3.959   4.380  1.00  0.00           H  
ATOM    143  C   ASN B   3      -6.789  -6.575   0.539  1.00  0.00           C  
ATOM    144  O   ASN B   3      -6.050  -5.597   0.443  1.00  0.00           O  
ATOM    145  N   ASP B   4      -7.055  -7.345  -0.523  1.00  0.00           N  
ATOM    146  H   ASP B   4      -7.615  -8.174  -0.374  1.00  0.00           H  
ATOM    147  CA  ASP B   4      -6.337  -7.228  -1.805  1.00  0.00           C  
ATOM    148  HA  ASP B   4      -5.307  -7.052  -1.540  1.00  0.00           H  
ATOM    149  CB  ASP B   4      -6.347  -8.574  -2.557  1.00  0.00           C  
ATOM    150  HB2 ASP B   4      -6.755  -9.345  -1.902  1.00  0.00           H  
ATOM    151  HB3 ASP B   4      -7.001  -8.510  -3.429  1.00  0.00           H  
ATOM    152  CG  ASP B   4      -4.948  -9.029  -3.004  1.00  0.00           C  
ATOM    153  OD1 ASP B   4      -4.734 -10.258  -3.090  1.00  0.00           O  
ATOM    154  OD2 ASP B   4      -4.030  -8.199  -3.201  1.00  0.00           O  
ATOM    155  C   ASP B   4      -6.732  -6.039  -2.707  1.00  0.00           C  
ATOM    156  O   ASP B   4      -7.847  -5.968  -3.223  1.00  0.00           O  
ATOM    157  N   CYS B   5      -5.732  -5.189  -2.983  1.00  0.00           N  
ATOM    158  H   CYS B   5      -4.866  -5.361  -2.496  1.00  0.00           H  
ATOM    159  CA  CYS B   5      -5.710  -4.070  -3.933  1.00  0.00           C  
ATOM    160  HA  CYS B   5      -4.679  -3.721  -3.928  1.00  0.00           H  
ATOM    161  CB  CYS B   5      -5.959  -4.615  -5.351  1.00  0.00           C  
ATOM    162  HB2 CYS B   5      -5.422  -5.558  -5.467  1.00  0.00           H  
ATOM    163  HB3 CYS B   5      -7.025  -4.816  -5.466  1.00  0.00           H  
ATOM    164  SG  CYS B   5      -5.396  -3.466  -6.648  1.00  0.00           S  
ATOM    165  HG  CYS B   5      -6.382  -2.557  -6.520  1.00  0.00           H  
ATOM    166  C   CYS B   5      -6.553  -2.820  -3.582  1.00  0.00           C  
ATOM    167  O   CYS B   5      -7.572  -2.858  -2.897  1.00  0.00           O  
ATOM    168  N   GLN B   6      -6.103  -1.678  -4.113  1.00  0.00           N  
ATOM    169  H   GLN B   6      -5.257  -1.747  -4.661  1.00  0.00           H  
ATOM    170  CA  GLN B   6      -6.786  -0.376  -4.134  1.00  0.00           C  
ATOM    171  HA  GLN B   6      -7.764  -0.483  -3.661  1.00  0.00           H  
ATOM    172  CB  GLN B   6      -5.974   0.636  -3.289  1.00  0.00           C  
ATOM    173  HB2 GLN B   6      -6.620   1.489  -3.075  1.00  0.00           H  
ATOM    174  HB3 GLN B   6      -5.742   0.172  -2.327  1.00  0.00           H  
ATOM    175  CG  GLN B   6      -4.661   1.186  -3.891  1.00  0.00           C  
ATOM    176  HG2 GLN B   6      -4.869   1.805  -4.761  1.00  0.00           H  
ATOM    177  HG3 GLN B   6      -4.195   1.837  -3.155  1.00  0.00           H  
ATOM    178  CD  GLN B   6      -3.657   0.109  -4.278  1.00  0.00           C  
ATOM    179  OE1 GLN B   6      -2.842  -0.334  -3.491  1.00  0.00           O  
ATOM    180  NE2 GLN B   6      -3.657  -0.356  -5.505  1.00  0.00           N  
ATOM    181 HE21 GLN B   6      -3.001  -1.082  -5.724  1.00  0.00           H  
ATOM    182 HE22 GLN B   6      -4.185   0.135  -6.224  1.00  0.00           H  
ATOM    183  C   GLN B   6      -7.042   0.059  -5.596  1.00  0.00           C  
ATOM    184  O   GLN B   6      -7.126  -0.786  -6.486  1.00  0.00           O  
ATOM    185  N   GLU B   7      -7.130   1.362  -5.886  1.00  0.00           N  
ATOM    186  H   GLU B   7      -7.024   2.026  -5.135  1.00  0.00           H  
ATOM    187  CA  GLU B   7      -7.062   1.873  -7.266  1.00  0.00           C  
ATOM    188  HA  GLU B   7      -7.917   1.474  -7.813  1.00  0.00           H  
ATOM    189  CB  GLU B   7      -7.171   3.411  -7.246  1.00  0.00           C  
ATOM    190  HB2 GLU B   7      -7.865   3.702  -6.456  1.00  0.00           H  
ATOM    191  HB3 GLU B   7      -6.195   3.831  -7.002  1.00  0.00           H  
ATOM    192  CG  GLU B   7      -7.691   4.042  -8.548  1.00  0.00           C  
ATOM    193  HG2 GLU B   7      -8.733   3.742  -8.685  1.00  0.00           H  
ATOM    194  HG3 GLU B   7      -7.670   5.129  -8.441  1.00  0.00           H  
ATOM    195  CD  GLU B   7      -6.877   3.644  -9.779  1.00  0.00           C  
ATOM    196  OE1 GLU B   7      -5.674   3.966  -9.836  1.00  0.00           O  
ATOM    197  OE2 GLU B   7      -7.401   2.923 -10.656  1.00  0.00           O  
ATOM    198  C   GLU B   7      -5.773   1.376  -7.964  1.00  0.00           C  
ATOM    199  O   GLU B   7      -4.683   1.422  -7.389  1.00  0.00           O  
ATOM    200  N   GLY B   8      -5.887   0.838  -9.181  1.00  0.00           N  
ATOM    201  H   GLY B   8      -6.758   0.967  -9.682  1.00  0.00           H  
ATOM    202  CA  GLY B   8      -4.836   0.041  -9.824  1.00  0.00           C  
ATOM    203  HA2 GLY B   8      -4.563  -0.784  -9.165  1.00  0.00           H  
ATOM    204  HA3 GLY B   8      -5.243  -0.379 -10.742  1.00  0.00           H  
ATOM    205  C   GLY B   8      -3.555   0.796 -10.194  1.00  0.00           C  
ATOM    206  O   GLY B   8      -2.512   0.168 -10.368  1.00  0.00           O  
ATOM    207  N   HIS B   9      -3.592   2.124 -10.302  1.00  0.00           N  
ATOM    208  H   HIS B   9      -4.470   2.610 -10.119  1.00  0.00           H  
ATOM    209  CA  HIS B   9      -2.454   2.951 -10.714  1.00  0.00           C  
ATOM    210  HA  HIS B   9      -1.778   2.334 -11.305  1.00  0.00           H  
ATOM    211  CB  HIS B   9      -2.942   4.092 -11.624  1.00  0.00           C  
ATOM    212  HB2 HIS B   9      -3.464   4.829 -11.013  1.00  0.00           H  
ATOM    213  HB3 HIS B   9      -2.077   4.586 -12.069  1.00  0.00           H  
ATOM    214  CG  HIS B   9      -3.876   3.648 -12.727  1.00  0.00           C  
ATOM    215  ND1 HIS B   9      -5.214   3.368 -12.580  1.00  0.00           N  
ATOM    216  HD1 HIS B   9      -5.754   3.456 -11.709  1.00  0.00           H  
ATOM    217  CE1 HIS B   9      -5.679   2.904 -13.747  1.00  0.00           C  
ATOM    218  HE1 HIS B   9      -6.700   2.586 -13.913  1.00  0.00           H  
ATOM    219  NE2 HIS B   9      -4.698   2.873 -14.667  1.00  0.00           N  
ATOM    220  CD2 HIS B   9      -3.546   3.336 -14.018  1.00  0.00           C  
ATOM    221  HD2 HIS B   9      -2.559   3.406 -14.451  1.00  0.00           H  
ATOM    222  C   HIS B   9      -1.635   3.485  -9.527  1.00  0.00           C  
ATOM    223  O   HIS B   9      -0.636   4.177  -9.741  1.00  0.00           O  
ATOM    224  N   HIS B  10      -2.033   3.180  -8.283  1.00  0.00           N  
ATOM    225  H   HIS B  10      -2.865   2.611  -8.176  1.00  0.00           H  
ATOM    226  CA  HIS B  10      -1.407   3.712  -7.070  1.00  0.00           C  
ATOM    227  HA  HIS B  10      -1.555   4.792  -7.052  1.00  0.00           H  
ATOM    228  CB  HIS B  10      -2.099   3.156  -5.819  1.00  0.00           C  
ATOM    229  HB2 HIS B  10      -3.121   3.527  -5.771  1.00  0.00           H  
ATOM    230  HB3 HIS B  10      -2.134   2.069  -5.892  1.00  0.00           H  
ATOM    231  CG  HIS B  10      -1.369   3.523  -4.548  1.00  0.00           C  
ATOM    232  ND1 HIS B  10      -0.701   4.732  -4.319  1.00  0.00           N  
ATOM    233  CE1 HIS B  10      -0.180   4.625  -3.085  1.00  0.00           C  
ATOM    234  HE1 HIS B  10       0.399   5.387  -2.581  1.00  0.00           H  
ATOM    235  NE2 HIS B  10      -0.477   3.435  -2.548  1.00  0.00           N  
ATOM    236  HE2 HIS B  10      -0.243   3.154  -1.598  1.00  0.00           H  
ATOM    237  CD2 HIS B  10      -1.221   2.723  -3.454  1.00  0.00           C  
ATOM    238  HD2 HIS B  10      -1.609   1.727  -3.323  1.00  0.00           H  
ATOM    239  C   HIS B  10       0.103   3.448  -7.001  1.00  0.00           C  
ATOM    240  O   HIS B  10       0.544   2.320  -6.820  1.00  0.00           O  
ATOM    241  N   HIS B  11       0.886   4.525  -7.084  1.00  0.00           N  
ATOM    242  H   HIS B  11       0.421   5.390  -7.307  1.00  0.00           H  
ATOM    243  CA  HIS B  11       2.312   4.591  -6.727  1.00  0.00           C  
ATOM    244  HA  HIS B  11       2.506   3.823  -5.980  1.00  0.00           H  
ATOM    245  CB  HIS B  11       3.195   4.282  -7.953  1.00  0.00           C  
ATOM    246  HB2 HIS B  11       2.907   4.923  -8.787  1.00  0.00           H  
ATOM    247  HB3 HIS B  11       4.236   4.493  -7.705  1.00  0.00           H  
ATOM    248  CG  HIS B  11       3.112   2.833  -8.363  1.00  0.00           C  
ATOM    249  ND1 HIS B  11       3.647   1.780  -7.646  1.00  0.00           N  
ATOM    250  HD1 HIS B  11       4.185   1.872  -6.780  1.00  0.00           H  
ATOM    251  CE1 HIS B  11       3.158   0.635  -8.153  1.00  0.00           C  
ATOM    252  HE1 HIS B  11       3.312  -0.350  -7.725  1.00  0.00           H  
ATOM    253  NE2 HIS B  11       2.335   0.930  -9.180  1.00  0.00           N  
ATOM    254  HE2 HIS B  11       1.698   0.264  -9.638  1.00  0.00           H  
ATOM    255  CD2 HIS B  11       2.289   2.307  -9.322  1.00  0.00           C  
ATOM    256  HD2 HIS B  11       1.613   2.867  -9.955  1.00  0.00           H  
ATOM    257  C   HIS B  11       2.626   5.926  -6.036  1.00  0.00           C  
ATOM    258  O   HIS B  11       3.625   6.582  -6.326  1.00  0.00           O  
ATOM    259  N   ILE B  12       1.702   6.385  -5.189  1.00  0.00           N  
ATOM    260  H   ILE B  12       0.921   5.777  -4.958  1.00  0.00           H  
ATOM    261  CA  ILE B  12       1.789   7.669  -4.492  1.00  0.00           C  
ATOM    262  HA  ILE B  12       2.158   8.419  -5.192  1.00  0.00           H  
ATOM    263  CB  ILE B  12       0.396   8.136  -3.992  1.00  0.00           C  
ATOM    264  HB  ILE B  12       0.028   7.411  -3.267  1.00  0.00           H  
ATOM    265  CG2 ILE B  12       0.513   9.494  -3.272  1.00  0.00           C  
ATOM    266 HG21 ILE B  12       0.900  10.254  -3.951  1.00  0.00           H  
ATOM    267 HG22 ILE B  12      -0.461   9.806  -2.897  1.00  0.00           H  
ATOM    268 HG23 ILE B  12       1.171   9.408  -2.409  1.00  0.00           H  
ATOM    269  CG1 ILE B  12      -0.632   8.227  -5.147  1.00  0.00           C  
ATOM    270 HG12 ILE B  12      -0.395   9.081  -5.783  1.00  0.00           H  
ATOM    271 HG13 ILE B  12      -0.580   7.330  -5.762  1.00  0.00           H  
ATOM    272  CD1 ILE B  12      -2.085   8.336  -4.666  1.00  0.00           C  
ATOM    273 HD11 ILE B  12      -2.251   9.279  -4.147  1.00  0.00           H  
ATOM    274 HD12 ILE B  12      -2.753   8.290  -5.526  1.00  0.00           H  
ATOM    275 HD13 ILE B  12      -2.317   7.506  -3.997  1.00  0.00           H  
ATOM    276  C   ILE B  12       2.793   7.549  -3.340  1.00  0.00           C  
ATOM    277  O   ILE B  12       2.583   6.783  -2.405  1.00  0.00           O  
ATOM    278  N   LEU B  13       3.862   8.345  -3.384  1.00  0.00           N  
ATOM    279  H   LEU B  13       4.014   8.893  -4.213  1.00  0.00           H  
ATOM    280  CA  LEU B  13       4.716   8.602  -2.223  1.00  0.00           C  
ATOM    281  HA  LEU B  13       4.885   7.662  -1.700  1.00  0.00           H  
ATOM    282  CB  LEU B  13       6.079   9.112  -2.722  1.00  0.00           C  
ATOM    283  HB2 LEU B  13       6.542   8.303  -3.289  1.00  0.00           H  
ATOM    284  HB3 LEU B  13       5.912   9.948  -3.404  1.00  0.00           H  
ATOM    285  CG  LEU B  13       7.067   9.583  -1.637  1.00  0.00           C  
ATOM    286  HG  LEU B  13       6.721  10.525  -1.213  1.00  0.00           H  
ATOM    287  CD1 LEU B  13       7.270   8.579  -0.500  1.00  0.00           C  
ATOM    288 HD11 LEU B  13       7.573   7.610  -0.898  1.00  0.00           H  
ATOM    289 HD12 LEU B  13       8.032   8.957   0.180  1.00  0.00           H  
ATOM    290 HD13 LEU B  13       6.347   8.460   0.065  1.00  0.00           H  
ATOM    291  CD2 LEU B  13       8.419   9.821  -2.311  1.00  0.00           C  
ATOM    292 HD21 LEU B  13       8.306  10.528  -3.131  1.00  0.00           H  
ATOM    293 HD22 LEU B  13       9.120  10.231  -1.588  1.00  0.00           H  
ATOM    294 HD23 LEU B  13       8.817   8.881  -2.694  1.00  0.00           H  
ATOM    295  C   LEU B  13       3.979   9.561  -1.273  1.00  0.00           C  
ATOM    296  O   LEU B  13       4.071  10.781  -1.422  1.00  0.00           O  
ATOM    297  N   LYS B  14       3.169   9.011  -0.361  1.00  0.00           N  
ATOM    298  H   LYS B  14       3.131   7.995  -0.334  1.00  0.00           H  
ATOM    299  CA  LYS B  14       2.219   9.773   0.475  1.00  0.00           C  
ATOM    300  HA  LYS B  14       1.666  10.441  -0.184  1.00  0.00           H  
ATOM    301  CB  LYS B  14       1.221   8.775   1.093  1.00  0.00           C  
ATOM    302  HB2 LYS B  14       0.903   8.088   0.307  1.00  0.00           H  
ATOM    303  HB3 LYS B  14       1.707   8.192   1.872  1.00  0.00           H  
ATOM    304  CG  LYS B  14      -0.031   9.471   1.647  1.00  0.00           C  
ATOM    305  HG2 LYS B  14       0.230  10.084   2.510  1.00  0.00           H  
ATOM    306  HG3 LYS B  14      -0.413  10.134   0.868  1.00  0.00           H  
ATOM    307  CD  LYS B  14      -1.167   8.500   2.020  1.00  0.00           C  
ATOM    308  HD2 LYS B  14      -2.109   9.027   1.868  1.00  0.00           H  
ATOM    309  HD3 LYS B  14      -1.173   7.644   1.343  1.00  0.00           H  
ATOM    310  CE  LYS B  14      -1.156   8.019   3.478  1.00  0.00           C  
ATOM    311  HE2 LYS B  14      -1.010   8.873   4.143  1.00  0.00           H  
ATOM    312  HE3 LYS B  14      -2.138   7.587   3.690  1.00  0.00           H  
ATOM    313  NZ  LYS B  14      -0.135   6.985   3.738  1.00  0.00           N  
ATOM    314  HZ1 LYS B  14       0.821   7.285   3.597  1.00  0.00           H  
ATOM    315  HZ2 LYS B  14      -0.211   6.615   4.681  1.00  0.00           H  
ATOM    316  HZ3 LYS B  14      -0.269   6.188   3.115  1.00  0.00           H  
ATOM    317  C   LYS B  14       2.918  10.680   1.502  1.00  0.00           C  
ATOM    318  O   LYS B  14       2.446  11.778   1.789  1.00  0.00           O  
ATOM    319  N   MET B  15       4.091  10.271   1.977  1.00  0.00           N  
ATOM    320  H   MET B  15       4.317   9.299   1.779  1.00  0.00           H  
ATOM    321  CA  MET B  15       5.131  11.036   2.671  1.00  0.00           C  
ATOM    322  HA  MET B  15       4.659  11.655   3.435  1.00  0.00           H  
ATOM    323  CB  MET B  15       6.056  10.013   3.365  1.00  0.00           C  
ATOM    324  HB2 MET B  15       5.448   9.385   4.008  1.00  0.00           H  
ATOM    325  HB3 MET B  15       6.508   9.369   2.609  1.00  0.00           H  
ATOM    326  CG  MET B  15       7.175  10.578   4.238  1.00  0.00           C  
ATOM    327  HG2 MET B  15       7.670   9.739   4.725  1.00  0.00           H  
ATOM    328  HG3 MET B  15       7.906  11.041   3.586  1.00  0.00           H  
ATOM    329  SD  MET B  15       6.685  11.761   5.526  1.00  0.00           S  
ATOM    330  CE  MET B  15       5.712  10.660   6.591  1.00  0.00           C  
ATOM    331  HE1 MET B  15       6.313   9.794   6.873  1.00  0.00           H  
ATOM    332  HE2 MET B  15       5.405  11.194   7.490  1.00  0.00           H  
ATOM    333  HE3 MET B  15       4.824  10.320   6.059  1.00  0.00           H  
ATOM    334  C   MET B  15       5.839  11.973   1.673  1.00  0.00           C  
ATOM    335  O   MET B  15       7.035  11.863   1.401  1.00  0.00           O  
ATOM    336  N   PHE B  16       5.052  12.839   1.032  1.00  0.00           N  
ATOM    337  H   PHE B  16       4.072  12.848   1.287  1.00  0.00           H  
ATOM    338  CA  PHE B  16       5.427  13.499  -0.217  1.00  0.00           C  
ATOM    339  HA  PHE B  16       5.701  12.705  -0.909  1.00  0.00           H  
ATOM    340  CB  PHE B  16       4.196  14.211  -0.791  1.00  0.00           C  
ATOM    341  HB2 PHE B  16       3.352  13.518  -0.784  1.00  0.00           H  
ATOM    342  HB3 PHE B  16       3.934  15.054  -0.150  1.00  0.00           H  
ATOM    343  CG  PHE B  16       4.398  14.699  -2.210  1.00  0.00           C  
ATOM    344  CD1 PHE B  16       4.916  15.985  -2.454  1.00  0.00           C  
ATOM    345  HD1 PHE B  16       5.143  16.641  -1.625  1.00  0.00           H  
ATOM    346  CE1 PHE B  16       5.153  16.410  -3.774  1.00  0.00           C  
ATOM    347  HE1 PHE B  16       5.554  17.396  -3.959  1.00  0.00           H  
ATOM    348  CZ  PHE B  16       4.872  15.550  -4.851  1.00  0.00           C  
ATOM    349  HZ  PHE B  16       5.054  15.875  -5.866  1.00  0.00           H  
ATOM    350  CE2 PHE B  16       4.354  14.265  -4.609  1.00  0.00           C  
ATOM    351  HE2 PHE B  16       4.140  13.601  -5.434  1.00  0.00           H  
ATOM    352  CD2 PHE B  16       4.119  13.840  -3.290  1.00  0.00           C  
ATOM    353  HD2 PHE B  16       3.734  12.846  -3.101  1.00  0.00           H  
ATOM    354  C   PHE B  16       6.625  14.457  -0.048  1.00  0.00           C  
ATOM    355  O   PHE B  16       6.616  15.284   0.866  1.00  0.00           O  
ATOM    356  N   PRO B  17       7.663  14.387  -0.910  1.00  0.00           N  
ATOM    357  CD  PRO B  17       7.739  13.597  -2.128  1.00  0.00           C  
ATOM    358  HD2 PRO B  17       6.773  13.483  -2.617  1.00  0.00           H  
ATOM    359  HD3 PRO B  17       8.162  12.619  -1.895  1.00  0.00           H  
ATOM    360  CG  PRO B  17       8.685  14.375  -3.033  1.00  0.00           C  
ATOM    361  HG2 PRO B  17       8.146  15.196  -3.508  1.00  0.00           H  
ATOM    362  HG3 PRO B  17       9.151  13.731  -3.779  1.00  0.00           H  
ATOM    363  CB  PRO B  17       9.703  14.926  -2.036  1.00  0.00           C  
ATOM    364  HB2 PRO B  17      10.159  15.848  -2.398  1.00  0.00           H  
ATOM    365  HB3 PRO B  17      10.472  14.171  -1.864  1.00  0.00           H  
ATOM    366  CA  PRO B  17       8.899  15.166  -0.747  1.00  0.00           C  
ATOM    367  HA  PRO B  17       8.645  16.223  -0.663  1.00  0.00           H  
ATOM    368  C   PRO B  17       9.736  14.754   0.479  1.00  0.00           C  
ATOM    369  O   PRO B  17      10.631  15.486   0.895  1.00  0.00           O  
ATOM    370  N   SER B  18       9.470  13.563   1.016  1.00  0.00           N  
ATOM    371  H   SER B  18       8.713  13.029   0.606  1.00  0.00           H  
ATOM    372  CA  SER B  18      10.188  12.866   2.083  1.00  0.00           C  
ATOM    373  HA  SER B  18      11.214  13.228   2.141  1.00  0.00           H  
ATOM    374  CB  SER B  18       9.482  13.217   3.403  1.00  0.00           C  
ATOM    375  HB2 SER B  18       9.595  14.287   3.582  1.00  0.00           H  
ATOM    376  HB3 SER B  18       8.416  13.017   3.302  1.00  0.00           H  
ATOM    377  OG  SER B  18       9.993  12.516   4.521  1.00  0.00           O  
ATOM    378  HG  SER B  18       9.294  12.470   5.185  1.00  0.00           H  
ATOM    379  C   SER B  18      10.239  11.367   1.702  1.00  0.00           C  
ATOM    380  O   SER B  18      10.200  11.052   0.512  1.00  0.00           O  
ATOM    381  N   THR B  19      10.367  10.428   2.643  1.00  0.00           N  
ATOM    382  H   THR B  19      10.428  10.731   3.607  1.00  0.00           H  
ATOM    383  CA  THR B  19      10.477   8.982   2.354  1.00  0.00           C  
ATOM    384  HA  THR B  19      10.096   8.784   1.353  1.00  0.00           H  
ATOM    385  CB  THR B  19      11.938   8.502   2.394  1.00  0.00           C  
ATOM    386  HB  THR B  19      11.950   7.424   2.232  1.00  0.00           H  
ATOM    387  CG2 THR B  19      12.820   9.149   1.328  1.00  0.00           C  
ATOM    388 HG21 THR B  19      12.918  10.217   1.519  1.00  0.00           H  
ATOM    389 HG22 THR B  19      13.808   8.689   1.353  1.00  0.00           H  
ATOM    390 HG23 THR B  19      12.377   8.996   0.344  1.00  0.00           H  
ATOM    391  OG1 THR B  19      12.515   8.773   3.653  1.00  0.00           O  
ATOM    392  HG1 THR B  19      11.893   8.440   4.315  1.00  0.00           H  
ATOM    393  C   THR B  19       9.677   8.118   3.326  1.00  0.00           C  
ATOM    394  O   THR B  19       9.814   8.275   4.540  1.00  0.00           O  
ATOM    395  N   TRP B  20       8.934   7.140   2.799  1.00  0.00           N  
ATOM    396  H   TRP B  20       8.837   7.086   1.797  1.00  0.00           H  
ATOM    397  CA  TRP B  20       8.496   5.969   3.569  1.00  0.00           C  
ATOM    398  HA  TRP B  20       8.006   6.328   4.473  1.00  0.00           H  
ATOM    399  CB  TRP B  20       7.463   5.178   2.754  1.00  0.00           C  
ATOM    400  HB2 TRP B  20       6.642   5.842   2.496  1.00  0.00           H  
ATOM    401  HB3 TRP B  20       7.931   4.883   1.813  1.00  0.00           H  
ATOM    402  CG  TRP B  20       6.896   3.939   3.395  1.00  0.00           C  
ATOM    403  CD1 TRP B  20       6.719   2.762   2.753  1.00  0.00           C  
ATOM    404  HD1 TRP B  20       6.954   2.569   1.712  1.00  0.00           H  
ATOM    405  NE1 TRP B  20       6.177   1.837   3.618  1.00  0.00           N  
ATOM    406  HE1 TRP B  20       6.009   0.853   3.376  1.00  0.00           H  
ATOM    407  CE2 TRP B  20       5.978   2.358   4.871  1.00  0.00           C  
ATOM    408  CZ2 TRP B  20       5.529   1.788   6.069  1.00  0.00           C  
ATOM    409  HZ2 TRP B  20       5.210   0.754   6.075  1.00  0.00           H  
ATOM    410  CH2 TRP B  20       5.556   2.553   7.245  1.00  0.00           C  
ATOM    411  HH2 TRP B  20       5.263   2.106   8.184  1.00  0.00           H  
ATOM    412  CZ3 TRP B  20       5.990   3.890   7.192  1.00  0.00           C  
ATOM    413  HZ3 TRP B  20       6.040   4.478   8.098  1.00  0.00           H  
ATOM    414  CE3 TRP B  20       6.388   4.464   5.968  1.00  0.00           C  
ATOM    415  HE3 TRP B  20       6.688   5.501   5.945  1.00  0.00           H  
ATOM    416  CD2 TRP B  20       6.418   3.711   4.769  1.00  0.00           C  
ATOM    417  C   TRP B  20       9.698   5.097   3.990  1.00  0.00           C  
ATOM    418  O   TRP B  20      10.806   5.266   3.474  1.00  0.00           O  
ATOM    419  N   TYR B  21       9.498   4.174   4.936  1.00  0.00           N  
ATOM    420  H   TYR B  21       8.559   4.062   5.296  1.00  0.00           H  
ATOM    421  CA  TYR B  21      10.567   3.355   5.525  1.00  0.00           C  
ATOM    422  HA  TYR B  21      11.361   3.273   4.782  1.00  0.00           H  
ATOM    423  CB  TYR B  21      11.151   4.101   6.740  1.00  0.00           C  
ATOM    424  HB2 TYR B  21      11.046   5.177   6.586  1.00  0.00           H  
ATOM    425  HB3 TYR B  21      10.575   3.850   7.631  1.00  0.00           H  
ATOM    426  CG  TYR B  21      12.625   3.829   6.978  1.00  0.00           C  
ATOM    427  CD1 TYR B  21      13.034   2.881   7.935  1.00  0.00           C  
ATOM    428  HD1 TYR B  21      12.287   2.331   8.494  1.00  0.00           H  
ATOM    429  CE1 TYR B  21      14.403   2.620   8.133  1.00  0.00           C  
ATOM    430  HE1 TYR B  21      14.706   1.880   8.856  1.00  0.00           H  
ATOM    431  CZ  TYR B  21      15.367   3.317   7.373  1.00  0.00           C  
ATOM    432  OH  TYR B  21      16.689   3.055   7.552  1.00  0.00           O  
ATOM    433  HH  TYR B  21      16.811   2.269   8.083  1.00  0.00           H  
ATOM    434  CE2 TYR B  21      14.959   4.271   6.419  1.00  0.00           C  
ATOM    435  HE2 TYR B  21      15.701   4.793   5.835  1.00  0.00           H  
ATOM    436  CD2 TYR B  21      13.588   4.523   6.220  1.00  0.00           C  
ATOM    437  HD2 TYR B  21      13.267   5.240   5.473  1.00  0.00           H  
ATOM    438  C   TYR B  21      10.149   1.897   5.831  1.00  0.00           C  
ATOM    439  O   TYR B  21      10.725   1.252   6.707  1.00  0.00           O  
HETATM  440  N   NME B  22       9.141   1.376   5.118  1.00  0.00           N  
HETATM  441  H   NME B  22       8.686   1.962   4.432  1.00  0.00           H  
HETATM  442  C   NME B  22       8.640   0.007   5.242  1.00  0.00           C  
HETATM  443  H1  NME B  22       8.482  -0.418   4.249  1.00  0.00           H  
HETATM  444  H2  NME B  22       9.346  -0.622   5.786  1.00  0.00           H  
HETATM  445  H3  NME B  22       7.683   0.004   5.765  1.00  0.00           H  
TER     446      NME B  22
ATOM    447 HO5'  DA C   1      -0.665  -8.246   6.230  1.00  0.00           H  
ATOM    448  O5'  DA C   1      -0.324  -8.702   7.016  1.00  0.00           O  
ATOM    449  C5'  DA C   1      -1.385  -9.086   7.888  1.00  0.00           C  
ATOM    450  H5'  DA C   1      -0.957  -9.623   8.735  1.00  0.00           H  
ATOM    451 H5''  DA C   1      -2.051  -9.770   7.362  1.00  0.00           H  
ATOM    452  C4'  DA C   1      -2.227  -7.922   8.443  1.00  0.00           C  
ATOM    453  H4'  DA C   1      -3.052  -8.342   9.020  1.00  0.00           H  
ATOM    454  O4'  DA C   1      -1.477  -7.075   9.309  1.00  0.00           O  
ATOM    455  C1'  DA C   1      -1.766  -5.712   9.022  1.00  0.00           C  
ATOM    456  H1'  DA C   1      -1.980  -5.163   9.943  1.00  0.00           H  
ATOM    457  N9   DA C   1      -0.561  -5.094   8.400  1.00  0.00           N  
ATOM    458  C8   DA C   1      -0.232  -4.972   7.072  1.00  0.00           C  
ATOM    459  H8   DA C   1      -0.837  -5.381   6.288  1.00  0.00           H  
ATOM    460  N7   DA C   1       0.868  -4.320   6.827  1.00  0.00           N  
ATOM    461  C5   DA C   1       1.294  -3.949   8.107  1.00  0.00           C  
ATOM    462  C6   DA C   1       2.358  -3.164   8.608  1.00  0.00           C  
ATOM    463  N6   DA C   1       3.245  -2.521   7.874  1.00  0.00           N  
ATOM    464  H61  DA C   1       3.920  -1.962   8.354  1.00  0.00           H  
ATOM    465  H62  DA C   1       3.115  -2.472   6.869  1.00  0.00           H  
ATOM    466  N1   DA C   1       2.505  -2.953   9.916  1.00  0.00           N  
ATOM    467  C2   DA C   1       1.612  -3.497  10.728  1.00  0.00           C  
ATOM    468  H2   DA C   1       1.759  -3.305  11.782  1.00  0.00           H  
ATOM    469  N3   DA C   1       0.555  -4.239  10.421  1.00  0.00           N  
ATOM    470  C4   DA C   1       0.445  -4.428   9.072  1.00  0.00           C  
ATOM    471  C3'  DA C   1      -2.843  -7.041   7.360  1.00  0.00           C  
ATOM    472  H3'  DA C   1      -2.116  -6.922   6.571  1.00  0.00           H  
ATOM    473  C2'  DA C   1      -3.015  -5.735   8.125  1.00  0.00           C  
ATOM    474  H2'  DA C   1      -3.074  -4.876   7.461  1.00  0.00           H  
ATOM    475 H2''  DA C   1      -3.916  -5.782   8.737  1.00  0.00           H  
ATOM    476  O3'  DA C   1      -4.038  -7.602   6.844  1.00  0.00           O  
ATOM    477  P    DC C   2      -4.778  -7.043   5.519  1.00  0.00           P  
ATOM    478  OP1  DC C   2      -5.315  -5.692   5.760  1.00  0.00           O  
ATOM    479  OP2  DC C   2      -5.661  -8.127   5.038  1.00  0.00           O  
ATOM    480  O5'  DC C   2      -3.615  -6.940   4.418  1.00  0.00           O  
ATOM    481  C5'  DC C   2      -2.751  -5.816   4.302  1.00  0.00           C  
ATOM    482  H5'  DC C   2      -2.703  -5.281   5.248  1.00  0.00           H  
ATOM    483 H5''  DC C   2      -3.161  -5.118   3.571  1.00  0.00           H  
ATOM    484  C4'  DC C   2      -1.326  -6.248   3.886  1.00  0.00           C  
ATOM    485  H4'  DC C   2      -0.624  -5.463   4.165  1.00  0.00           H  
ATOM    486  O4'  DC C   2      -0.986  -7.505   4.498  1.00  0.00           O  
ATOM    487  C1'  DC C   2      -0.883  -8.495   3.473  1.00  0.00           C  
ATOM    488  H1'  DC C   2       0.172  -8.584   3.206  1.00  0.00           H  
ATOM    489  N1   DC C   2      -1.456  -9.830   3.794  1.00  0.00           N  
ATOM    490  C6   DC C   2      -2.512  -9.958   4.658  1.00  0.00           C  
ATOM    491  H6   DC C   2      -2.885  -9.087   5.178  1.00  0.00           H  
ATOM    492  C5   DC C   2      -3.102 -11.164   4.836  1.00  0.00           C  
ATOM    493  H5   DC C   2      -3.951 -11.251   5.497  1.00  0.00           H  
ATOM    494  C4   DC C   2      -2.584 -12.256   4.098  1.00  0.00           C  
ATOM    495  N4   DC C   2      -3.156 -13.417   4.150  1.00  0.00           N  
ATOM    496  H41  DC C   2      -2.809 -14.094   3.504  1.00  0.00           H  
ATOM    497  H42  DC C   2      -4.093 -13.431   4.537  1.00  0.00           H  
ATOM    498  N3   DC C   2      -1.609 -12.155   3.225  1.00  0.00           N  
ATOM    499  C2   DC C   2      -1.053 -10.937   3.032  1.00  0.00           C  
ATOM    500  O2   DC C   2      -0.201 -10.839   2.142  1.00  0.00           O  
ATOM    501  C3'  DC C   2      -1.224  -6.485   2.380  1.00  0.00           C  
ATOM    502  H3'  DC C   2      -1.911  -5.835   1.837  1.00  0.00           H  
ATOM    503  C2'  DC C   2      -1.617  -7.935   2.266  1.00  0.00           C  
ATOM    504  H2'  DC C   2      -2.696  -8.041   2.367  1.00  0.00           H  
ATOM    505 H2''  DC C   2      -1.265  -8.374   1.335  1.00  0.00           H  
ATOM    506  O3'  DC C   2       0.100  -6.393   1.868  1.00  0.00           O  
ATOM    507  P    DG C   3       0.804  -4.994   1.599  1.00  0.00           P  
ATOM    508  OP1  DG C   3      -0.045  -3.917   2.124  1.00  0.00           O  
ATOM    509  OP2  DG C   3       1.190  -4.929   0.176  1.00  0.00           O  
ATOM    510  O5'  DG C   3       2.130  -5.070   2.474  1.00  0.00           O  
ATOM    511  C5'  DG C   3       2.100  -5.053   3.900  1.00  0.00           C  
ATOM    512  H5'  DG C   3       1.681  -5.991   4.267  1.00  0.00           H  
ATOM    513 H5''  DG C   3       1.449  -4.246   4.233  1.00  0.00           H  
ATOM    514  C4'  DG C   3       3.480  -4.844   4.556  1.00  0.00           C  
ATOM    515  H4'  DG C   3       3.317  -4.415   5.545  1.00  0.00           H  
ATOM    516  O4'  DG C   3       4.217  -6.054   4.722  1.00  0.00           O  
ATOM    517  C1'  DG C   3       5.306  -6.065   3.809  1.00  0.00           C  
ATOM    518  H1'  DG C   3       6.096  -6.721   4.174  1.00  0.00           H  
ATOM    519  N9   DG C   3       4.837  -6.553   2.476  1.00  0.00           N  
ATOM    520  C8   DG C   3       5.022  -6.002   1.230  1.00  0.00           C  
ATOM    521  H8   DG C   3       5.704  -5.182   1.048  1.00  0.00           H  
ATOM    522  N7   DG C   3       4.246  -6.498   0.304  1.00  0.00           N  
ATOM    523  C5   DG C   3       3.532  -7.512   0.969  1.00  0.00           C  
ATOM    524  C6   DG C   3       2.495  -8.432   0.548  1.00  0.00           C  
ATOM    525  O6   DG C   3       1.899  -8.560  -0.523  1.00  0.00           O  
ATOM    526  N1   DG C   3       2.131  -9.331   1.528  1.00  0.00           N  
ATOM    527  H1   DG C   3       1.354  -9.937   1.338  1.00  0.00           H  
ATOM    528  C2   DG C   3       2.676  -9.360   2.762  1.00  0.00           C  
ATOM    529  N2   DG C   3       2.207 -10.246   3.593  1.00  0.00           N  
ATOM    530  H21  DG C   3       1.458 -10.852   3.296  1.00  0.00           H  
ATOM    531  H22  DG C   3       2.545 -10.184   4.536  1.00  0.00           H  
ATOM    532  N3   DG C   3       3.609  -8.541   3.206  1.00  0.00           N  
ATOM    533  C4   DG C   3       3.984  -7.615   2.270  1.00  0.00           C  
ATOM    534  C3'  DG C   3       4.388  -3.904   3.756  1.00  0.00           C  
ATOM    535  H3'  DG C   3       4.066  -3.905   2.721  1.00  0.00           H  
ATOM    536  C2'  DG C   3       5.741  -4.597   3.830  1.00  0.00           C  
ATOM    537  H2'  DG C   3       6.384  -4.321   2.996  1.00  0.00           H  
ATOM    538 H2''  DG C   3       6.225  -4.361   4.779  1.00  0.00           H  
ATOM    539  O3'  DG C   3       4.434  -2.586   4.252  1.00  0.00           O  
ATOM    540  P    DT C   4       4.748  -1.374   3.254  1.00  0.00           P  
ATOM    541  OP1  DT C   4       4.334  -1.775   1.892  1.00  0.00           O  
ATOM    542  OP2  DT C   4       6.137  -0.947   3.485  1.00  0.00           O  
ATOM    543  O5'  DT C   4       3.770  -0.208   3.751  1.00  0.00           O  
ATOM    544  C5'  DT C   4       2.385  -0.185   3.422  1.00  0.00           C  
ATOM    545  H5'  DT C   4       2.267  -0.272   2.341  1.00  0.00           H  
ATOM    546 H5''  DT C   4       1.981   0.777   3.725  1.00  0.00           H  
ATOM    547  C4'  DT C   4       1.574  -1.299   4.111  1.00  0.00           C  
ATOM    548  H4'  DT C   4       1.879  -2.257   3.694  1.00  0.00           H  
ATOM    549  O4'  DT C   4       1.804  -1.260   5.523  1.00  0.00           O  
ATOM    550  C1'  DT C   4       0.555  -1.072   6.167  1.00  0.00           C  
ATOM    551  H1'  DT C   4       0.103  -2.050   6.333  1.00  0.00           H  
ATOM    552  N1   DT C   4       0.662  -0.335   7.448  1.00  0.00           N  
ATOM    553  C6   DT C   4       1.447   0.793   7.543  1.00  0.00           C  
ATOM    554  H6   DT C   4       2.012   1.102   6.669  1.00  0.00           H  
ATOM    555  C5   DT C   4       1.509   1.494   8.707  1.00  0.00           C  
ATOM    556  C7   DT C   4       2.374   2.733   8.782  1.00  0.00           C  
ATOM    557  H71  DT C   4       2.867   2.913   7.829  1.00  0.00           H  
ATOM    558  H72  DT C   4       1.748   3.587   9.040  1.00  0.00           H  
ATOM    559  H73  DT C   4       3.120   2.603   9.567  1.00  0.00           H  
ATOM    560  C4   DT C   4       0.744   1.068   9.880  1.00  0.00           C  
ATOM    561  O4   DT C   4       0.729   1.609  10.982  1.00  0.00           O  
ATOM    562  N3   DT C   4      -0.028  -0.052   9.689  1.00  0.00           N  
ATOM    563  H3   DT C   4      -0.592  -0.366  10.453  1.00  0.00           H  
ATOM    564  C2   DT C   4      -0.120  -0.771   8.524  1.00  0.00           C  
ATOM    565  O2   DT C   4      -0.869  -1.741   8.488  1.00  0.00           O  
ATOM    566  C3'  DT C   4       0.058  -1.105   3.906  1.00  0.00           C  
ATOM    567  H3'  DT C   4      -0.170  -0.536   3.002  1.00  0.00           H  
ATOM    568  C2'  DT C   4      -0.290  -0.317   5.154  1.00  0.00           C  
ATOM    569  H2'  DT C   4       0.065   0.704   5.068  1.00  0.00           H  
ATOM    570 H2''  DT C   4      -1.355  -0.339   5.380  1.00  0.00           H  
ATOM    571  O3'  DT C   4      -0.679  -2.323   3.955  1.00  0.00           O  
ATOM    572 HO3'  DT C   4      -0.426  -2.899   3.181  1.00  0.00           H  
TER     573       DT C   4
ATOM    574 HO5'   C D   1      -6.981  -1.357   0.778  1.00  0.00           H  
ATOM    575  O5'   C D   1      -6.807  -0.717   1.481  1.00  0.00           O  
ATOM    576  C5'   C D   1      -8.020  -0.072   1.839  1.00  0.00           C  
ATOM    577  H5'   C D   1      -8.853  -0.760   1.692  1.00  0.00           H  
ATOM    578 H5''   C D   1      -8.167   0.796   1.193  1.00  0.00           H  
ATOM    579  C4'   C D   1      -8.035   0.399   3.303  1.00  0.00           C  
ATOM    580  H4'   C D   1      -8.978   0.914   3.487  1.00  0.00           H  
ATOM    581  O4'   C D   1      -7.938  -0.691   4.218  1.00  0.00           O  
ATOM    582  C1'   C D   1      -7.237  -0.252   5.384  1.00  0.00           C  
ATOM    583  H1'   C D   1      -7.859  -0.361   6.277  1.00  0.00           H  
ATOM    584  N1    C D   1      -5.966  -1.015   5.569  1.00  0.00           N  
ATOM    585  C6    C D   1      -5.226  -1.450   4.496  1.00  0.00           C  
ATOM    586  H6    C D   1      -5.596  -1.306   3.491  1.00  0.00           H  
ATOM    587  C5    C D   1      -4.029  -2.049   4.690  1.00  0.00           C  
ATOM    588  H5    C D   1      -3.439  -2.372   3.847  1.00  0.00           H  
ATOM    589  C4    C D   1      -3.592  -2.203   6.029  1.00  0.00           C  
ATOM    590  N4    C D   1      -2.393  -2.641   6.261  1.00  0.00           N  
ATOM    591  H41   C D   1      -2.063  -2.498   7.207  1.00  0.00           H  
ATOM    592  H42   C D   1      -1.767  -2.694   5.465  1.00  0.00           H  
ATOM    593  N3    C D   1      -4.275  -1.791   7.074  1.00  0.00           N  
ATOM    594  C2    C D   1      -5.486  -1.213   6.873  1.00  0.00           C  
ATOM    595  O2    C D   1      -6.144  -0.847   7.846  1.00  0.00           O  
ATOM    596  C3'   C D   1      -6.914   1.375   3.666  1.00  0.00           C  
ATOM    597  H3'   C D   1      -5.966   1.016   3.269  1.00  0.00           H  
ATOM    598  C2'   C D   1      -6.928   1.237   5.190  1.00  0.00           C  
ATOM    599  H2'   C D   1      -5.961   1.513   5.617  1.00  0.00           H  
ATOM    600  O2'   C D   1      -7.970   2.028   5.746  1.00  0.00           O  
ATOM    601 HO2'   C D   1      -7.903   2.882   5.297  1.00  0.00           H  
ATOM    602  O3'   C D   1      -7.189   2.704   3.247  1.00  0.00           O  
ATOM    603  P     A D   2      -6.048   3.821   3.239  1.00  0.00           P  
ATOM    604  OP1   A D   2      -5.081   3.526   4.316  1.00  0.00           O  
ATOM    605  OP2   A D   2      -6.701   5.138   3.221  1.00  0.00           O  
ATOM    606  O5'   A D   2      -5.292   3.621   1.846  1.00  0.00           O  
ATOM    607  C5'   A D   2      -4.482   2.484   1.590  1.00  0.00           C  
ATOM    608  H5'   A D   2      -5.113   1.644   1.300  1.00  0.00           H  
ATOM    609 H5''   A D   2      -3.934   2.208   2.493  1.00  0.00           H  
ATOM    610  C4'   A D   2      -3.452   2.739   0.483  1.00  0.00           C  
ATOM    611  H4'   A D   2      -2.789   1.875   0.448  1.00  0.00           H  
ATOM    612  O4'   A D   2      -4.079   2.905  -0.784  1.00  0.00           O  
ATOM    613  C1'   A D   2      -3.887   4.241  -1.235  1.00  0.00           C  
ATOM    614  H1'   A D   2      -3.120   4.262  -2.015  1.00  0.00           H  
ATOM    615  N9    A D   2      -5.158   4.772  -1.769  1.00  0.00           N  
ATOM    616  C8    A D   2      -6.357   4.961  -1.118  1.00  0.00           C  
ATOM    617  H8    A D   2      -6.504   4.693  -0.078  1.00  0.00           H  
ATOM    618  N7    A D   2      -7.297   5.487  -1.865  1.00  0.00           N  
ATOM    619  C5    A D   2      -6.654   5.663  -3.097  1.00  0.00           C  
ATOM    620  C6    A D   2      -7.035   6.185  -4.354  1.00  0.00           C  
ATOM    621  N6    A D   2      -8.229   6.661  -4.642  1.00  0.00           N  
ATOM    622  H61   A D   2      -8.365   6.981  -5.581  1.00  0.00           H  
ATOM    623  H62   A D   2      -8.925   6.655  -3.918  1.00  0.00           H  
ATOM    624  N1    A D   2      -6.193   6.232  -5.381  1.00  0.00           N  
ATOM    625  C2    A D   2      -4.972   5.756  -5.186  1.00  0.00           C  
ATOM    626  H2    A D   2      -4.306   5.797  -6.037  1.00  0.00           H  
ATOM    627  N3    A D   2      -4.465   5.229  -4.079  1.00  0.00           N  
ATOM    628  C4    A D   2      -5.360   5.220  -3.052  1.00  0.00           C  
ATOM    629  C3'   A D   2      -2.612   3.992   0.749  1.00  0.00           C  
ATOM    630  H3'   A D   2      -2.589   4.224   1.815  1.00  0.00           H  
ATOM    631  C2'   A D   2      -3.381   5.058  -0.046  1.00  0.00           C  
ATOM    632  H2'   A D   2      -4.231   5.385   0.554  1.00  0.00           H  
ATOM    633  O2'   A D   2      -2.645   6.209  -0.448  1.00  0.00           O  
ATOM    634 HO2'   A D   2      -1.687   5.984  -0.506  1.00  0.00           H  
ATOM    635  O3'   A D   2      -1.318   3.715   0.249  1.00  0.00           O  
ATOM    636  P     U D   3      -0.095   4.615   0.651  1.00  0.00           P  
ATOM    637  OP1   U D   3      -0.163   4.908   2.090  1.00  0.00           O  
ATOM    638  OP2   U D   3      -0.061   5.739  -0.293  1.00  0.00           O  
ATOM    639  O5'   U D   3       1.125   3.634   0.345  1.00  0.00           O  
ATOM    640  C5'   U D   3       1.715   2.849   1.373  1.00  0.00           C  
ATOM    641  H5'   U D   3       1.827   1.827   1.020  1.00  0.00           H  
ATOM    642 H5''   U D   3       1.062   2.808   2.241  1.00  0.00           H  
ATOM    643  C4'   U D   3       3.110   3.352   1.783  1.00  0.00           C  
ATOM    644  H4'   U D   3       3.345   2.935   2.763  1.00  0.00           H  
ATOM    645  O4'   U D   3       4.040   2.835   0.837  1.00  0.00           O  
ATOM    646  C1'   U D   3       4.608   3.896   0.097  1.00  0.00           C  
ATOM    647  H1'   U D   3       5.627   4.051   0.456  1.00  0.00           H  
ATOM    648  N1    U D   3       4.624   3.584  -1.359  1.00  0.00           N  
ATOM    649  C6    U D   3       3.454   3.426  -2.072  1.00  0.00           C  
ATOM    650  H6    U D   3       2.507   3.572  -1.568  1.00  0.00           H  
ATOM    651  C5    U D   3       3.473   3.076  -3.385  1.00  0.00           C  
ATOM    652  H5    U D   3       2.542   2.937  -3.916  1.00  0.00           H  
ATOM    653  C4    U D   3       4.719   2.878  -4.090  1.00  0.00           C  
ATOM    654  O4    U D   3       4.827   2.586  -5.276  1.00  0.00           O  
ATOM    655  N3    U D   3       5.843   3.060  -3.322  1.00  0.00           N  
ATOM    656  H3    U D   3       6.728   2.908  -3.763  1.00  0.00           H  
ATOM    657  C2    U D   3       5.862   3.415  -1.989  1.00  0.00           C  
ATOM    658  O2    U D   3       6.948   3.562  -1.432  1.00  0.00           O  
ATOM    659  C3'   U D   3       3.252   4.887   1.839  1.00  0.00           C  
ATOM    660  H3'   U D   3       2.277   5.356   1.941  1.00  0.00           H  
ATOM    661  C2'   U D   3       3.828   5.161   0.428  1.00  0.00           C  
ATOM    662  H2'   U D   3       2.987   5.280  -0.257  1.00  0.00           H  
ATOM    663  O2'   U D   3       4.706   6.260   0.279  1.00  0.00           O  
ATOM    664 HO2'   U D   3       4.612   6.813   1.097  1.00  0.00           H  
ATOM    665  O3'   U D   3       4.053   5.260   2.958  1.00  0.00           O  
ATOM    666  P     G D   4       4.130   6.763   3.478  1.00  0.00           P  
ATOM    667  OP1   G D   4       4.307   7.631   2.309  1.00  0.00           O  
ATOM    668  OP2   G D   4       5.097   6.863   4.580  1.00  0.00           O  
ATOM    669  O5'   G D   4       2.701   7.146   4.085  1.00  0.00           O  
ATOM    670  C5'   G D   4       2.518   8.394   4.742  1.00  0.00           C  
ATOM    671  H5'   G D   4       1.704   8.937   4.264  1.00  0.00           H  
ATOM    672 H5''   G D   4       3.411   9.011   4.648  1.00  0.00           H  
ATOM    673  C4'   G D   4       2.187   8.230   6.233  1.00  0.00           C  
ATOM    674  H4'   G D   4       1.881   9.199   6.627  1.00  0.00           H  
ATOM    675  O4'   G D   4       1.128   7.291   6.383  1.00  0.00           O  
ATOM    676  C1'   G D   4       1.632   6.043   6.869  1.00  0.00           C  
ATOM    677  H1'   G D   4       1.183   5.862   7.847  1.00  0.00           H  
ATOM    678  N9    G D   4       1.257   4.905   5.982  1.00  0.00           N  
ATOM    679  C8    G D   4       2.050   3.960   5.369  1.00  0.00           C  
ATOM    680  H8    G D   4       3.131   3.932   5.441  1.00  0.00           H  
ATOM    681  N7    G D   4       1.383   3.065   4.701  1.00  0.00           N  
ATOM    682  C5    G D   4       0.048   3.467   4.802  1.00  0.00           C  
ATOM    683  C6    G D   4      -1.168   2.961   4.201  1.00  0.00           C  
ATOM    684  O6    G D   4      -1.337   2.032   3.412  1.00  0.00           O  
ATOM    685  N1    G D   4      -2.293   3.648   4.604  1.00  0.00           N  
ATOM    686  H1    G D   4      -3.195   3.328   4.277  1.00  0.00           H  
ATOM    687  C2    G D   4      -2.268   4.719   5.422  1.00  0.00           C  
ATOM    688  N2    G D   4      -3.416   5.284   5.659  1.00  0.00           N  
ATOM    689  H21   G D   4      -4.245   4.830   5.259  1.00  0.00           H  
ATOM    690  H22   G D   4      -3.467   6.034   6.313  1.00  0.00           H  
ATOM    691  N3    G D   4      -1.171   5.268   5.946  1.00  0.00           N  
ATOM    692  C4    G D   4      -0.034   4.577   5.617  1.00  0.00           C  
ATOM    693  C3'   G D   4       3.356   7.712   7.070  1.00  0.00           C  
ATOM    694  H3'   G D   4       4.321   7.979   6.637  1.00  0.00           H  
ATOM    695  C2'   G D   4       3.148   6.200   7.067  1.00  0.00           C  
ATOM    696  H2'   G D   4       3.698   5.788   6.222  1.00  0.00           H  
ATOM    697  O2'   G D   4       3.585   5.609   8.286  1.00  0.00           O  
ATOM    698 HO2'   G D   4       4.060   4.797   8.059  1.00  0.00           H  
ATOM    699  O3'   G D   4       3.260   8.182   8.401  1.00  0.00           O  
ATOM    700 HO3'   G D   4       3.426   7.374   8.912  1.00  0.00           H  
TER     701        G D   4
CONECT   20   80
CONECT   50   52
CONECT   52   50   53   54
CONECT   53   52
CONECT   54   52   55   56   71
CONECT   55   54
CONECT   56   54   57   58   59
CONECT   57   56
CONECT   58   56
CONECT   59   56   60   61   62
CONECT   60   59
CONECT   61   59
CONECT   62   59   63   64   65
CONECT   63   62
CONECT   64   62
CONECT   65   62   66   67   68
CONECT   66   65
CONECT   67   65
CONECT   68   65   69   70
CONECT   69   68
CONECT   70   68
CONECT   71   73   54   72
CONECT   72   71
CONECT   73   71
CONECT   80   20
CONECT  101  102
CONECT  102  105  101  103  104
CONECT  103  102
CONECT  104  102
CONECT  105  102  106  107
CONECT  106  105
CONECT  107  105
CONECT  438  440
CONECT  440  438  442  441
CONECT  441  440
CONECT  442  443  444  445  440
CONECT  443  442
CONECT  444  442
CONECT  445  442
END