File: Fifth.pdb.1.save

package info (click to toggle)
cpptraj 5.1.0%2Bdfsg-5
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 139,188 kB
  • sloc: cpp: 145,622; ansic: 34,635; sh: 11,365; f90: 971; makefile: 770; awk: 242
file content (692 lines) | stat: -rw-r--r-- 55,968 bytes parent folder | download | duplicates (2)
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
CRYST1   59.446   61.825   66.459  90.00  90.00  90.00               1
ATOM      1  C12  OL     1      32.043   9.558  43.219  1.00  0.00           C  
ATOM      2  H2R  OL     1      31.040   9.944  43.415  1.00  0.00           H  
ATOM      3  H2S  OL     1      31.958   8.476  43.111  1.00  0.00           H  
ATOM      4  C13  OL     1      32.602  10.178  41.919  1.00  0.00           C  
ATOM      5  H3R  OL     1      33.535   9.677  41.649  1.00  0.00           H  
ATOM      6  H3S  OL     1      32.844  11.228  42.093  1.00  0.00           H  
ATOM      7  C14  OL     1      31.609  10.099  40.739  1.00  0.00           C  
ATOM      8  H4R  OL     1      30.665  10.569  41.018  1.00  0.00           H  
ATOM      9  H4S  OL     1      31.392   9.056  40.504  1.00  0.00           H  
ATOM     10  C15  OL     1      32.213  10.793  39.497  1.00  0.00           C  
ATOM     11  H5R  OL     1      32.417  10.052  38.721  1.00  0.00           H  
ATOM     12  H5S  OL     1      33.172  11.227  39.767  1.00  0.00           H  
ATOM     13  C16  OL     1      31.348  11.933  38.924  1.00  0.00           C  
ATOM     14  H6R  OL     1      31.953  12.474  38.193  1.00  0.00           H  
ATOM     15  H6S  OL     1      31.084  12.643  39.710  1.00  0.00           H  
ATOM     16  C17  OL     1      30.079  11.405  38.230  1.00  0.00           C  
ATOM     17  H7R  OL     1      29.339  11.101  38.974  1.00  0.00           H  
ATOM     18  H7S  OL     1      30.339  10.521  37.646  1.00  0.00           H  
ATOM     19  C18  OL     1      29.482  12.466  37.285  1.00  0.00           C  
ATOM     20  H8R  OL     1      29.088  13.295  37.875  1.00  0.00           H  
ATOM     21  H8S  OL     1      30.271  12.883  36.657  1.00  0.00           H  
ATOM     22  C19  OL     1      28.376  11.873  36.436  1.00  0.00           C  
ATOM     23  H9R  OL     1      27.386  11.904  36.886  1.00  0.00           H  
ATOM     24 C110  OL     1      28.520  11.348  35.222  1.00  0.00           C  
ATOM     25 H10R  OL     1      27.645  10.957  34.707  1.00  0.00           H  
ATOM     26 C111  OL     1      29.820  11.238  34.453  1.00  0.00           C  
ATOM     27 H11R  OL     1      30.529  11.998  34.777  1.00  0.00           H  
ATOM     28 H11S  OL     1      29.629  11.428  33.394  1.00  0.00           H  
ATOM     29 C112  OL     1      30.435   9.831  34.609  1.00  0.00           C  
ATOM     30 H12R  OL     1      29.766   9.101  34.148  1.00  0.00           H  
ATOM     31 H12S  OL     1      30.521   9.568  35.665  1.00  0.00           H  
ATOM     32 C113  OL     1      31.821   9.734  33.945  1.00  0.00           C  
ATOM     33 H13R  OL     1      32.087   8.682  33.817  1.00  0.00           H  
ATOM     34 H13S  OL     1      31.764  10.171  32.946  1.00  0.00           H  
ATOM     35 C114  OL     1      32.925  10.419  34.784  1.00  0.00           C  
ATOM     36 H14R  OL     1      32.572  11.361  35.209  1.00  0.00           H  
ATOM     37 H14S  OL     1      33.189   9.770  35.622  1.00  0.00           H  
ATOM     38 C115  OL     1      34.177  10.685  33.928  1.00  0.00           C  
ATOM     39 H15R  OL     1      34.375   9.816  33.296  1.00  0.00           H  
ATOM     40 H15S  OL     1      35.049  10.814  34.573  1.00  0.00           H  
ATOM     41 C116  OL     1      34.002  11.936  33.044  1.00  0.00           C  
ATOM     42 H16R  OL     1      32.994  11.989  32.625  1.00  0.00           H  
ATOM     43 H16S  OL     1      34.676  11.846  32.199  1.00  0.00           H  
ATOM     44 C117  OL     1      34.313  13.229  33.823  1.00  0.00           C  
ATOM     45 H17R  OL     1      33.475  13.473  34.480  1.00  0.00           H  
ATOM     46 H17S  OL     1      35.199  13.096  34.448  1.00  0.00           H  
ATOM     47 C118  OL     1      34.563  14.398  32.865  1.00  0.00           C  
ATOM     48 H18R  OL     1      34.629  15.333  33.423  1.00  0.00           H  
ATOM     49 H18S  OL     1      33.757  14.465  32.136  1.00  0.00           H  
ATOM     50 H18T  OL     1      35.491  14.280  32.309  1.00  0.00           H  
ATOM     51  C11  PC     2      32.919   9.871  44.416  1.00  0.00           C  
ATOM     52  O12  PC     2      33.893  10.604  44.374  1.00  0.00           O  
ATOM     53  O11  PC     2      32.466   9.274  45.545  1.00  0.00           O  
ATOM     54  C1   PC     2      33.314   9.282  46.733  1.00  0.00           C  
ATOM     55  HR   PC     2      33.988  10.145  46.743  1.00  0.00           H  
ATOM     56  HS   PC     2      32.676   9.340  47.619  1.00  0.00           H  
ATOM     57  C2   PC     2      34.114   7.967  46.804  1.00  0.00           C  
ATOM     58  HX   PC     2      33.407   7.143  46.943  1.00  0.00           H  
ATOM     59  C3   PC     2      35.135   7.998  47.966  1.00  0.00           C  
ATOM     60  HA   PC     2      35.582   7.008  48.106  1.00  0.00           H  
ATOM     61  HB   PC     2      35.930   8.709  47.726  1.00  0.00           H  
ATOM     62  O31  PC     2      34.471   8.412  49.192  1.00  0.00           O  
ATOM     63  P31  PC     2      35.319   8.625  50.530  1.00  0.00           P  
ATOM     64  O32  PC     2      34.435   9.734  51.250  1.00  0.00           O  
ATOM     65  C31  PC     2      33.189   9.350  51.872  1.00  0.00           C  
ATOM     66  H1A  PC     2      32.366   9.539  51.180  1.00  0.00           H  
ATOM     67  H1B  PC     2      33.201   8.279  52.103  1.00  0.00           H  
ATOM     68  C32  PC     2      33.019  10.121  53.199  1.00  0.00           C  
ATOM     69  H2A  PC     2      32.091   9.802  53.672  1.00  0.00           H  
ATOM     70  H2B  PC     2      33.838   9.855  53.866  1.00  0.00           H  
ATOM     71  N31  PC     2      32.965  11.631  53.174  1.00  0.00           N  
ATOM     72  C33  PC     2      34.332  12.209  52.939  1.00  0.00           C  
ATOM     73  H3A  PC     2      34.267  13.298  52.992  1.00  0.00           H  
ATOM     74  H3B  PC     2      34.997  11.831  53.718  1.00  0.00           H  
ATOM     75  H3C  PC     2      34.687  11.888  51.960  1.00  0.00           H  
ATOM     76  C34  PC     2      32.013  12.101  52.117  1.00  0.00           C  
ATOM     77  H4A  PC     2      31.017  11.715  52.337  1.00  0.00           H  
ATOM     78  H4B  PC     2      31.996  13.190  52.115  1.00  0.00           H  
ATOM     79  H4C  PC     2      32.357  11.725  51.153  1.00  0.00           H  
ATOM     80  C35  PC     2      32.477  12.121  54.508  1.00  0.00           C  
ATOM     81  H5A  PC     2      32.441  13.212  54.487  1.00  0.00           H  
ATOM     82  H5B  PC     2      33.168  11.773  55.280  1.00  0.00           H  
ATOM     83  H5C  PC     2      31.482  11.711  54.685  1.00  0.00           H  
ATOM     84  O33  PC     2      35.418   7.405  51.361  1.00  0.00           O  
ATOM     85  O34  PC     2      36.701   9.099  50.314  1.00  0.00           O  
ATOM     86  O21  PC     2      34.825   7.789  45.549  1.00  0.00           O  
ATOM     87  C21  PC     2      35.226   6.551  45.184  1.00  0.00           C  
ATOM     88  O22  PC     2      34.980   5.544  45.826  1.00  0.00           O  
ATOM     89  C12 OL2     3      35.955   6.540  43.858  1.00  0.00           C  
ATOM     90  H2R OL2     3      36.358   5.543  43.670  1.00  0.00           H  
ATOM     91  H2S OL2     3      36.801   7.224  43.931  1.00  0.00           H  
ATOM     92  C13 OL2     3      35.083   6.995  42.668  1.00  0.00           C  
ATOM     93  H3R OL2     3      35.740   7.161  41.812  1.00  0.00           H  
ATOM     94  H3S OL2     3      34.612   7.953  42.898  1.00  0.00           H  
ATOM     95  C14 OL2     3      34.004   5.954  42.293  1.00  0.00           C  
ATOM     96  H4R OL2     3      33.306   5.854  43.128  1.00  0.00           H  
ATOM     97  H4S OL2     3      34.465   4.977  42.137  1.00  0.00           H  
ATOM     98  C15 OL2     3      33.210   6.370  41.032  1.00  0.00           C  
ATOM     99  H5R OL2     3      32.896   7.407  41.142  1.00  0.00           H  
ATOM    100  H5S OL2     3      32.298   5.772  40.966  1.00  0.00           H  
ATOM    101  C16 OL2     3      34.004   6.224  39.712  1.00  0.00           C  
ATOM    102  H6R OL2     3      35.012   6.629  39.820  1.00  0.00           H  
ATOM    103  H6S OL2     3      33.503   6.819  38.945  1.00  0.00           H  
ATOM    104  C17 OL2     3      34.062   4.758  39.230  1.00  0.00           C  
ATOM    105  H7R OL2     3      33.042   4.384  39.122  1.00  0.00           H  
ATOM    106  H7S OL2     3      34.564   4.131  39.971  1.00  0.00           H  
ATOM    107  C18 OL2     3      34.778   4.627  37.871  1.00  0.00           C  
ATOM    108  H8R OL2     3      34.380   5.369  37.176  1.00  0.00           H  
ATOM    109  H8S OL2     3      34.538   3.647  37.453  1.00  0.00           H  
ATOM    110  C19 OL2     3      36.286   4.729  38.000  1.00  0.00           C  
ATOM    111  H9R OL2     3      36.759   3.883  38.494  1.00  0.00           H  
ATOM    112 C110 OL2     3      37.053   5.699  37.513  1.00  0.00           C  
ATOM    113 H10R OL2     3      38.132   5.636  37.642  1.00  0.00           H  
ATOM    114 C111 OL2     3      36.561   6.971  36.855  1.00  0.00           C  
ATOM    115 H11R OL2     3      37.328   7.742  36.952  1.00  0.00           H  
ATOM    116 H11S OL2     3      35.679   7.344  37.380  1.00  0.00           H  
ATOM    117 C112 OL2     3      36.216   6.788  35.365  1.00  0.00           C  
ATOM    118 H12R OL2     3      35.864   7.749  34.981  1.00  0.00           H  
ATOM    119 H12S OL2     3      35.391   6.081  35.262  1.00  0.00           H  
ATOM    120 C113 OL2     3      37.409   6.308  34.509  1.00  0.00           C  
ATOM    121 H13R OL2     3      37.734   5.313  34.820  1.00  0.00           H  
ATOM    122 H13S OL2     3      38.251   6.988  34.651  1.00  0.00           H  
ATOM    123 C114 OL2     3      36.995   6.286  33.024  1.00  0.00           C  
ATOM    124 H14R OL2     3      36.320   7.125  32.849  1.00  0.00           H  
ATOM    125 H14S OL2     3      36.441   5.373  32.809  1.00  0.00           H  
ATOM    126 C115 OL2     3      38.201   6.397  32.069  1.00  0.00           C  
ATOM    127 H15R OL2     3      38.826   5.506  32.163  1.00  0.00           H  
ATOM    128 H15S OL2     3      38.817   7.243  32.366  1.00  0.00           H  
ATOM    129 C116 OL2     3      37.787   6.579  30.589  1.00  0.00           C  
ATOM    130 H16R OL2     3      37.322   5.661  30.224  1.00  0.00           H  
ATOM    131 H16S OL2     3      38.692   6.741  29.999  1.00  0.00           H  
ATOM    132 C117 OL2     3      36.819   7.766  30.366  1.00  0.00           C  
ATOM    133 H17R OL2     3      37.183   8.652  30.891  1.00  0.00           H  
ATOM    134 H17S OL2     3      35.834   7.520  30.770  1.00  0.00           H  
ATOM    135 C118 OL2     3      36.662   8.096  28.872  1.00  0.00           C  
ATOM    136 H18R OL2     3      36.332   7.216  28.317  1.00  0.00           H  
ATOM    137 H18S OL2     3      37.610   8.441  28.454  1.00  0.00           H  
ATOM    138 H18T OL2     3      35.920   8.886  28.740  1.00  0.00           H  
ATOM    139  C12  OL    85      32.103  18.891  43.993  1.00  0.00           C  
ATOM    140  H2R  OL    85      31.377  19.328  43.330  1.00  0.00           H  
ATOM    141  H2S  OL    85      33.039  19.427  43.877  1.00  0.00           H  
ATOM    142  C13  OL    85      32.249  17.448  43.509  1.00  0.00           C  
ATOM    143  H3R  OL    85      31.543  17.261  42.700  1.00  0.00           H  
ATOM    144  H3S  OL    85      31.985  16.788  44.317  1.00  0.00           H  
ATOM    145  C14  OL    85      33.684  17.183  43.018  1.00  0.00           C  
ATOM    146  H4R  OL    85      33.906  17.824  42.160  1.00  0.00           H  
ATOM    147  H4S  OL    85      34.367  17.452  43.823  1.00  0.00           H  
ATOM    148  C15  OL    85      33.940  15.709  42.671  1.00  0.00           C  
ATOM    149  H5R  OL    85      33.077  15.118  42.954  1.00  0.00           H  
ATOM    150  H5S  OL    85      34.778  15.350  43.270  1.00  0.00           H  
ATOM    151  C16  OL    85      34.253  15.491  41.181  1.00  0.00           C  
ATOM    152  H6R  OL    85      33.417  15.836  40.575  1.00  0.00           H  
ATOM    153  H6S  OL    85      35.132  16.077  40.902  1.00  0.00           H  
ATOM    154  C17  OL    85      34.517  13.996  40.916  1.00  0.00           C  
ATOM    155  H7R  OL    85      35.276  13.641  41.614  1.00  0.00           H  
ATOM    156  H7S  OL    85      33.608  13.421  41.106  1.00  0.00           H  
ATOM    157  C18  OL    85      35.002  13.735  39.479  1.00  0.00           C  
ATOM    158  H8R  OL    85      35.757  14.474  39.208  1.00  0.00           H  
ATOM    159  H8S  OL    85      34.156  13.849  38.797  1.00  0.00           H  
ATOM    160  C19  OL    85      35.560  12.329  39.386  1.00  0.00           C  
ATOM    161  H9R  OL    85      35.045  11.589  39.991  1.00  0.00           H  
ATOM    162 C110  OL    85      36.652  11.949  38.733  1.00  0.00           C  
ATOM    163 H10R  OL    85      36.966  10.910  38.804  1.00  0.00           H  
ATOM    164 C111  OL    85      37.519  12.829  37.859  1.00  0.00           C  
ATOM    165 H11R  OL    85      38.398  13.126  38.433  1.00  0.00           H  
ATOM    166 H11S  OL    85      36.994  13.741  37.571  1.00  0.00           H  
ATOM    167 C112  OL    85      37.987  12.104  36.581  1.00  0.00           C  
ATOM    168 H12R  OL    85      38.638  12.783  36.027  1.00  0.00           H  
ATOM    169 H12S  OL    85      37.122  11.887  35.950  1.00  0.00           H  
ATOM    170 C113  OL    85      38.756  10.796  36.882  1.00  0.00           C  
ATOM    171 H13R  OL    85      38.050  10.003  37.140  1.00  0.00           H  
ATOM    172 H13S  OL    85      39.394  10.955  37.749  1.00  0.00           H  
ATOM    173 C114  OL    85      39.653  10.339  35.711  1.00  0.00           C  
ATOM    174 H14R  OL    85      40.216   9.454  36.013  1.00  0.00           H  
ATOM    175 H14S  OL    85      40.373  11.127  35.487  1.00  0.00           H  
ATOM    176 C115  OL    85      38.825  10.010  34.456  1.00  0.00           C  
ATOM    177 H15R  OL    85      38.159   9.177  34.682  1.00  0.00           H  
ATOM    178 H15S  OL    85      38.185  10.856  34.226  1.00  0.00           H  
ATOM    179 C116  OL    85      39.681   9.648  33.218  1.00  0.00           C  
ATOM    180 H16R  OL    85      40.291   8.768  33.432  1.00  0.00           H  
ATOM    181 H16S  OL    85      38.992   9.381  32.415  1.00  0.00           H  
ATOM    182 C117  OL    85      40.581  10.794  32.706  1.00  0.00           C  
ATOM    183 H17R  OL    85      41.418  10.955  33.373  1.00  0.00           H  
ATOM    184 H17S  OL    85      40.039  11.728  32.699  1.00  0.00           H  
ATOM    185 C118  OL    85      41.084  10.521  31.277  1.00  0.00           C  
ATOM    186 H18R  OL    85      41.707  11.349  30.933  1.00  0.00           H  
ATOM    187 H18S  OL    85      41.673   9.604  31.238  1.00  0.00           H  
ATOM    188 H18T  OL    85      40.242  10.418  30.589  1.00  0.00           H  
ATOM    189  C11  PC    86      31.612  19.110  45.405  1.00  0.00           C  
ATOM    190  O12  PC    86      30.757  18.425  45.929  1.00  0.00           O  
ATOM    191  O11  PC    86      32.166  20.208  45.969  1.00  0.00           O  
ATOM    192  C1   PC    86      31.564  20.826  47.147  1.00  0.00           C  
ATOM    193  HR   PC    86      31.662  21.911  47.035  1.00  0.00           H  
ATOM    194  HS   PC    86      30.501  20.574  47.187  1.00  0.00           H  
ATOM    195  C2   PC    86      32.230  20.430  48.486  1.00  0.00           C  
ATOM    196  HX   PC    86      32.363  19.346  48.567  1.00  0.00           H  
ATOM    197  C3   PC    86      31.428  20.982  49.680  1.00  0.00           C  
ATOM    198  HA   PC    86      31.942  20.781  50.623  1.00  0.00           H  
ATOM    199  HB   PC    86      31.374  22.065  49.578  1.00  0.00           H  
ATOM    200  O31  PC    86      30.087  20.440  49.723  1.00  0.00           O  
ATOM    201  P31  PC    86      29.820  19.069  50.477  1.00  0.00           P  
ATOM    202  O32  PC    86      28.788  19.478  51.618  1.00  0.00           O  
ATOM    203  C31  PC    86      29.214  20.252  52.756  1.00  0.00           C  
ATOM    204  H1A  PC    86      30.297  20.406  52.740  1.00  0.00           H  
ATOM    205  H1B  PC    86      28.725  21.230  52.702  1.00  0.00           H  
ATOM    206  C32  PC    86      28.768  19.515  54.036  1.00  0.00           C  
ATOM    207  H2A  PC    86      28.792  20.213  54.873  1.00  0.00           H  
ATOM    208  H2B  PC    86      27.738  19.171  53.916  1.00  0.00           H  
ATOM    209  N31  PC    86      29.575  18.310  54.478  1.00  0.00           N  
ATOM    210  C33  PC    86      31.030  18.652  54.633  1.00  0.00           C  
ATOM    211  H3A  PC    86      31.427  18.918  53.651  1.00  0.00           H  
ATOM    212  H3B  PC    86      31.113  19.494  55.322  1.00  0.00           H  
ATOM    213  H3C  PC    86      31.549  17.776  55.027  1.00  0.00           H  
ATOM    214  C34  PC    86      29.450  17.173  53.510  1.00  0.00           C  
ATOM    215  H4A  PC    86      29.955  16.300  53.927  1.00  0.00           H  
ATOM    216  H4B  PC    86      28.390  16.972  53.351  1.00  0.00           H  
ATOM    217  H4C  PC    86      29.925  17.459  52.575  1.00  0.00           H  
ATOM    218  C35  PC    86      29.037  17.849  55.801  1.00  0.00           C  
ATOM    219  H5A  PC    86      29.666  17.040  56.171  1.00  0.00           H  
ATOM    220  H5B  PC    86      28.016  17.494  55.650  1.00  0.00           H  
ATOM    221  H5C  PC    86      29.045  18.692  56.495  1.00  0.00           H  
ATOM    222  O33  PC    86      29.241  18.044  49.589  1.00  0.00           O  
ATOM    223  O34  PC    86      31.057  18.449  51.013  1.00  0.00           O  
ATOM    224  O21  PC    86      33.481  21.136  48.621  1.00  0.00           O  
ATOM    225  C21  PC    86      34.612  20.640  48.108  1.00  0.00           C  
ATOM    226  O22  PC    86      34.722  19.529  47.614  1.00  0.00           O  
ATOM    227  C12 OL2    87      35.752  21.623  48.219  1.00  0.00           C  
ATOM    228  H2R OL2    87      36.376  21.370  49.077  1.00  0.00           H  
ATOM    229  H2S OL2    87      35.356  22.630  48.374  1.00  0.00           H  
ATOM    230  C13 OL2    87      36.563  21.580  46.923  1.00  0.00           C  
ATOM    231  H3R OL2    87      35.874  21.757  46.093  1.00  0.00           H  
ATOM    232  H3S OL2    87      36.975  20.579  46.794  1.00  0.00           H  
ATOM    233  C14 OL2    87      37.707  22.606  46.853  1.00  0.00           C  
ATOM    234  H4R OL2    87      38.457  22.415  47.625  1.00  0.00           H  
ATOM    235  H4S OL2    87      37.311  23.616  46.987  1.00  0.00           H  
ATOM    236  C15 OL2    87      38.312  22.451  45.451  1.00  0.00           C  
ATOM    237  H5R OL2    87      37.472  22.450  44.758  1.00  0.00           H  
ATOM    238  H5S OL2    87      38.813  21.483  45.371  1.00  0.00           H  
ATOM    239  C16 OL2    87      39.277  23.561  45.015  1.00  0.00           C  
ATOM    240  H6R OL2    87      40.212  23.479  45.566  1.00  0.00           H  
ATOM    241  H6S OL2    87      38.846  24.539  45.239  1.00  0.00           H  
ATOM    242  C17 OL2    87      39.554  23.440  43.499  1.00  0.00           C  
ATOM    243  H7R OL2    87      39.923  22.439  43.265  1.00  0.00           H  
ATOM    244  H7S OL2    87      40.349  24.133  43.231  1.00  0.00           H  
ATOM    245  C18 OL2    87      38.280  23.733  42.675  1.00  0.00           C  
ATOM    246  H8R OL2    87      37.694  24.489  43.202  1.00  0.00           H  
ATOM    247  H8S OL2    87      37.659  22.843  42.618  1.00  0.00           H  
ATOM    248  C19 OL2    87      38.563  24.265  41.292  1.00  0.00           C  
ATOM    249  H9R OL2    87      38.885  25.303  41.284  1.00  0.00           H  
ATOM    250 C110 OL2    87      38.436  23.637  40.126  1.00  0.00           C  
ATOM    251 H10R OL2    87      38.688  24.195  39.229  1.00  0.00           H  
ATOM    252 C111 OL2    87      38.016  22.202  39.866  1.00  0.00           C  
ATOM    253 H11R OL2    87      37.709  21.709  40.787  1.00  0.00           H  
ATOM    254 H11S OL2    87      38.874  21.648  39.483  1.00  0.00           H  
ATOM    255 C112 OL2    87      36.885  22.093  38.815  1.00  0.00           C  
ATOM    256 H12R OL2    87      35.974  22.518  39.232  1.00  0.00           H  
ATOM    257 H12S OL2    87      36.684  21.037  38.619  1.00  0.00           H  
ATOM    258 C113 OL2    87      37.221  22.799  37.480  1.00  0.00           C  
ATOM    259 H13R OL2    87      38.101  22.336  37.042  1.00  0.00           H  
ATOM    260 H13S OL2    87      37.477  23.838  37.661  1.00  0.00           H  
ATOM    261 C114 OL2    87      36.051  22.737  36.474  1.00  0.00           C  
ATOM    262 H14R OL2    87      35.136  23.105  36.944  1.00  0.00           H  
ATOM    263 H14S OL2    87      35.884  21.693  36.208  1.00  0.00           H  
ATOM    264 C115 OL2    87      36.324  23.548  35.182  1.00  0.00           C  
ATOM    265 H15R OL2    87      35.570  23.287  34.438  1.00  0.00           H  
ATOM    266 H15S OL2    87      37.295  23.267  34.772  1.00  0.00           H  
ATOM    267 C116 OL2    87      36.249  25.071  35.435  1.00  0.00           C  
ATOM    268 H16R OL2    87      36.967  25.347  36.203  1.00  0.00           H  
ATOM    269 H16S OL2    87      35.254  25.304  35.818  1.00  0.00           H  
ATOM    270 C117 OL2    87      36.496  25.947  34.189  1.00  0.00           C  
ATOM    271 H17R OL2    87      36.285  26.989  34.443  1.00  0.00           H  
ATOM    272 H17S OL2    87      35.796  25.668  33.405  1.00  0.00           H  
ATOM    273 C118 OL2    87      37.941  25.866  33.666  1.00  0.00           C  
ATOM    274 H18R OL2    87      38.030  26.405  32.724  1.00  0.00           H  
ATOM    275 H18S OL2    87      38.252  24.835  33.496  1.00  0.00           H  
ATOM    276 H18T OL2    87      38.624  26.329  34.378  1.00  0.00           H  
ATOM    277  C12  OL    91      27.243  15.678  45.045  1.00  0.00           C  
ATOM    278  H2R  OL    91      27.223  16.719  45.370  1.00  0.00           H  
ATOM    279  H2S  OL    91      28.203  15.266  45.365  1.00  0.00           H  
ATOM    280  C13  OL    91      27.176  15.636  43.501  1.00  0.00           C  
ATOM    281  H3R  OL    91      27.229  14.600  43.161  1.00  0.00           H  
ATOM    282  H3S  OL    91      28.054  16.154  43.112  1.00  0.00           H  
ATOM    283  C14  OL    91      25.920  16.314  42.917  1.00  0.00           C  
ATOM    284  H4R  OL    91      25.045  15.707  43.162  1.00  0.00           H  
ATOM    285  H4S  OL    91      25.777  17.297  43.372  1.00  0.00           H  
ATOM    286  C15  OL    91      26.012  16.472  41.383  1.00  0.00           C  
ATOM    287  H5R  OL    91      26.438  15.570  40.942  1.00  0.00           H  
ATOM    288  H5S  OL    91      26.668  17.308  41.130  1.00  0.00           H  
ATOM    289  C16  OL    91      24.603  16.695  40.805  1.00  0.00           C  
ATOM    290  H6R  OL    91      24.152  17.568  41.274  1.00  0.00           H  
ATOM    291  H6S  OL    91      23.987  15.836  41.083  1.00  0.00           H  
ATOM    292  C17  OL    91      24.563  16.831  39.266  1.00  0.00           C  
ATOM    293  H7R  OL    91      23.725  16.232  38.903  1.00  0.00           H  
ATOM    294  H7S  OL    91      25.468  16.418  38.822  1.00  0.00           H  
ATOM    295  C18  OL    91      24.368  18.284  38.783  1.00  0.00           C  
ATOM    296  H8R  OL    91      25.349  18.759  38.744  1.00  0.00           H  
ATOM    297  H8S  OL    91      23.759  18.835  39.494  1.00  0.00           H  
ATOM    298  C19  OL    91      23.736  18.310  37.405  1.00  0.00           C  
ATOM    299  H9R  OL    91      24.120  17.550  36.728  1.00  0.00           H  
ATOM    300 C110  OL    91      22.764  19.112  36.970  1.00  0.00           C  
ATOM    301 H10R  OL    91      22.407  18.981  35.950  1.00  0.00           H  
ATOM    302 C111  OL    91      22.094  20.252  37.719  1.00  0.00           C  
ATOM    303 H11R  OL    91      21.048  19.989  37.891  1.00  0.00           H  
ATOM    304 H11S  OL    91      22.558  20.426  38.687  1.00  0.00           H  
ATOM    305 C112  OL    91      22.135  21.569  36.916  1.00  0.00           C  
ATOM    306 H12R  OL    91      21.404  22.273  37.319  1.00  0.00           H  
ATOM    307 H12S  OL    91      21.858  21.367  35.878  1.00  0.00           H  
ATOM    308 C113  OL    91      23.539  22.203  36.984  1.00  0.00           C  
ATOM    309 H13R  OL    91      23.728  22.577  37.992  1.00  0.00           H  
ATOM    310 H13S  OL    91      24.279  21.426  36.784  1.00  0.00           H  
ATOM    311 C114  OL    91      23.722  23.347  35.966  1.00  0.00           C  
ATOM    312 H14R  OL    91      23.173  23.122  35.048  1.00  0.00           H  
ATOM    313 H14S  OL    91      23.319  24.278  36.373  1.00  0.00           H  
ATOM    314 C115  OL    91      25.216  23.506  35.625  1.00  0.00           C  
ATOM    315 H15R  OL    91      25.583  22.566  35.217  1.00  0.00           H  
ATOM    316 H15S  OL    91      25.779  23.696  36.537  1.00  0.00           H  
ATOM    317 C116  OL    91      25.459  24.627  34.596  1.00  0.00           C  
ATOM    318 H16R  OL    91      24.707  24.557  33.808  1.00  0.00           H  
ATOM    319 H16S  OL    91      25.324  25.592  35.085  1.00  0.00           H  
ATOM    320 C117  OL    91      26.855  24.529  33.936  1.00  0.00           C  
ATOM    321 H17R  OL    91      27.006  23.518  33.552  1.00  0.00           H  
ATOM    322 H17S  OL    91      26.895  25.202  33.078  1.00  0.00           H  
ATOM    323 C118  OL    91      28.011  24.888  34.888  1.00  0.00           C  
ATOM    324 H18R  OL    91      27.947  24.333  35.821  1.00  0.00           H  
ATOM    325 H18S  OL    91      28.970  24.659  34.419  1.00  0.00           H  
ATOM    326 H18T  OL    91      27.994  25.950  35.122  1.00  0.00           H  
ATOM    327  C11  PC    92      26.128  14.934  45.756  1.00  0.00           C  
ATOM    328  O12  PC    92      24.949  15.213  45.636  1.00  0.00           O  
ATOM    329  O11  PC    92      26.582  13.944  46.562  1.00  0.00           O  
ATOM    330  C1   PC    92      25.633  13.251  47.429  1.00  0.00           C  
ATOM    331  HR   PC    92      25.194  13.969  48.132  1.00  0.00           H  
ATOM    332  HS   PC    92      24.821  12.832  46.825  1.00  0.00           H  
ATOM    333  C2   PC    92      26.352  12.122  48.211  1.00  0.00           C  
ATOM    334  HX   PC    92      25.626  11.613  48.854  1.00  0.00           H  
ATOM    335  C3   PC    92      27.508  12.690  49.071  1.00  0.00           C  
ATOM    336  HA   PC    92      28.375  12.829  48.423  1.00  0.00           H  
ATOM    337  HB   PC    92      27.228  13.661  49.491  1.00  0.00           H  
ATOM    338  O31  PC    92      27.899  11.803  50.158  1.00  0.00           O  
ATOM    339  P31  PC    92      27.058  11.692  51.515  1.00  0.00           P  
ATOM    340  O32  PC    92      26.029  10.571  51.077  1.00  0.00           O  
ATOM    341  C31  PC    92      26.410   9.184  51.094  1.00  0.00           C  
ATOM    342  H1A  PC    92      27.033   8.980  50.217  1.00  0.00           H  
ATOM    343  H1B  PC    92      26.979   8.951  52.000  1.00  0.00           H  
ATOM    344  C32  PC    92      25.104   8.369  51.037  1.00  0.00           C  
ATOM    345  H2A  PC    92      24.491   8.754  50.219  1.00  0.00           H  
ATOM    346  H2B  PC    92      25.338   7.324  50.830  1.00  0.00           H  
ATOM    347  N31  PC    92      24.225   8.386  52.276  1.00  0.00           N  
ATOM    348  C33  PC    92      22.976   7.618  51.969  1.00  0.00           C  
ATOM    349  H3A  PC    92      22.314   7.676  52.836  1.00  0.00           H  
ATOM    350  H3B  PC    92      22.496   8.094  51.110  1.00  0.00           H  
ATOM    351  H3C  PC    92      23.236   6.584  51.744  1.00  0.00           H  
ATOM    352  C34  PC    92      24.914   7.747  53.447  1.00  0.00           C  
ATOM    353  H4A  PC    92      24.231   7.776  54.298  1.00  0.00           H  
ATOM    354  H4B  PC    92      25.174   6.720  53.192  1.00  0.00           H  
ATOM    355  H4C  PC    92      25.809   8.327  53.675  1.00  0.00           H  
ATOM    356  C35  PC    92      23.832   9.782  52.669  1.00  0.00           C  
ATOM    357  H5A  PC    92      23.080   9.738  53.459  1.00  0.00           H  
ATOM    358  H5B  PC    92      23.423  10.280  51.786  1.00  0.00           H  
ATOM    359  H5C  PC    92      24.718  10.311  53.024  1.00  0.00           H  
ATOM    360  O33  PC    92      27.856  11.247  52.677  1.00  0.00           O  
ATOM    361  O34  PC    92      26.343  12.920  51.929  1.00  0.00           O  
ATOM    362  O21  PC    92      26.898  11.197  47.225  1.00  0.00           O  
ATOM    363  C21  PC    92      26.078  10.301  46.633  1.00  0.00           C  
ATOM    364  O22  PC    92      25.008   9.955  47.099  1.00  0.00           O  
ATOM    365  C12 OL2    93      26.595   9.836  45.287  1.00  0.00           C  
ATOM    366  H2R OL2    93      27.220   8.954  45.439  1.00  0.00           H  
ATOM    367  H2S OL2    93      27.230  10.608  44.855  1.00  0.00           H  
ATOM    368  C13 OL2    93      25.468   9.508  44.279  1.00  0.00           C  
ATOM    369  H3R OL2    93      24.873   8.682  44.676  1.00  0.00           H  
ATOM    370  H3S OL2    93      25.912   9.152  43.347  1.00  0.00           H  
ATOM    371  C14 OL2    93      24.522  10.700  43.984  1.00  0.00           C  
ATOM    372  H4R OL2    93      24.107  11.082  44.919  1.00  0.00           H  
ATOM    373  H4S OL2    93      23.675  10.337  43.398  1.00  0.00           H  
ATOM    374  C15 OL2    93      25.184  11.869  43.220  1.00  0.00           C  
ATOM    375  H5R OL2    93      26.068  12.230  43.750  1.00  0.00           H  
ATOM    376  H5S OL2    93      24.470  12.696  43.193  1.00  0.00           H  
ATOM    377  C16 OL2    93      25.551  11.485  41.770  1.00  0.00           C  
ATOM    378  H6R OL2    93      24.721  10.937  41.317  1.00  0.00           H  
ATOM    379  H6S OL2    93      26.426  10.831  41.766  1.00  0.00           H  
ATOM    380  C17 OL2    93      25.834  12.743  40.928  1.00  0.00           C  
ATOM    381  H7R OL2    93      26.682  13.281  41.353  1.00  0.00           H  
ATOM    382  H7S OL2    93      24.966  13.407  40.964  1.00  0.00           H  
ATOM    383  C18 OL2    93      26.133  12.387  39.462  1.00  0.00           C  
ATOM    384  H8R OL2    93      25.321  11.782  39.062  1.00  0.00           H  
ATOM    385  H8S OL2    93      27.039  11.779  39.426  1.00  0.00           H  
ATOM    386  C19 OL2    93      26.352  13.651  38.656  1.00  0.00           C  
ATOM    387  H9R OL2    93      27.167  14.272  39.017  1.00  0.00           H  
ATOM    388 C110 OL2    93      25.661  14.069  37.600  1.00  0.00           C  
ATOM    389 H10R OL2    93      25.943  15.014  37.143  1.00  0.00           H  
ATOM    390 C111 OL2    93      24.481  13.379  36.943  1.00  0.00           C  
ATOM    391 H11R OL2    93      23.591  14.001  37.063  1.00  0.00           H  
ATOM    392 H11S OL2    93      24.271  12.422  37.415  1.00  0.00           H  
ATOM    393 C112 OL2    93      24.713  13.139  35.439  1.00  0.00           C  
ATOM    394 H12R OL2    93      23.852  12.609  35.026  1.00  0.00           H  
ATOM    395 H12S OL2    93      25.588  12.498  35.306  1.00  0.00           H  
ATOM    396 C113 OL2    93      24.918  14.456  34.665  1.00  0.00           C  
ATOM    397 H13R OL2    93      25.789  14.977  35.065  1.00  0.00           H  
ATOM    398 H13S OL2    93      24.051  15.107  34.804  1.00  0.00           H  
ATOM    399 C114 OL2    93      25.122  14.181  33.162  1.00  0.00           C  
ATOM    400 H14R OL2    93      24.203  13.756  32.752  1.00  0.00           H  
ATOM    401 H14S OL2    93      25.918  13.446  33.017  1.00  0.00           H  
ATOM    402 C115 OL2    93      25.467  15.466  32.387  1.00  0.00           C  
ATOM    403 H15R OL2    93      24.760  16.249  32.663  1.00  0.00           H  
ATOM    404 H15S OL2    93      25.350  15.278  31.318  1.00  0.00           H  
ATOM    405 C116 OL2    93      26.904  15.951  32.671  1.00  0.00           C  
ATOM    406 H16R OL2    93      27.630  15.187  32.384  1.00  0.00           H  
ATOM    407 H16S OL2    93      27.025  16.133  33.740  1.00  0.00           H  
ATOM    408 C117 OL2    93      27.203  17.264  31.934  1.00  0.00           C  
ATOM    409 H17R OL2    93      28.062  17.732  32.412  1.00  0.00           H  
ATOM    410 H17S OL2    93      26.358  17.942  32.032  1.00  0.00           H  
ATOM    411 C118 OL2    93      27.493  17.060  30.442  1.00  0.00           C  
ATOM    412 H18R OL2    93      28.380  16.440  30.300  1.00  0.00           H  
ATOM    413 H18S OL2    93      27.667  18.028  29.967  1.00  0.00           H  
ATOM    414 H18T OL2    93      26.644  16.582  29.951  1.00  0.00           H  
ATOM    415  C12  OL    94      41.252  12.587  49.162  1.00  0.00           C  
ATOM    416  H2R  OL    94      41.657  13.166  49.990  1.00  0.00           H  
ATOM    417  H2S  OL    94      41.660  13.005  48.241  1.00  0.00           H  
ATOM    418  C13  OL    94      41.659  11.101  49.299  1.00  0.00           C  
ATOM    419  H3R  OL    94      41.440  10.568  48.371  1.00  0.00           H  
ATOM    420  H3S  OL    94      41.062  10.636  50.087  1.00  0.00           H  
ATOM    421  C14  OL    94      43.145  10.926  49.679  1.00  0.00           C  
ATOM    422  H4R  OL    94      43.316   9.885  49.957  1.00  0.00           H  
ATOM    423  H4S  OL    94      43.349  11.515  50.573  1.00  0.00           H  
ATOM    424  C15  OL    94      44.124  11.348  48.556  1.00  0.00           C  
ATOM    425  H5R  OL    94      45.018  11.788  49.004  1.00  0.00           H  
ATOM    426  H5S  OL    94      43.670  12.120  47.938  1.00  0.00           H  
ATOM    427  C16  OL    94      44.541  10.162  47.661  1.00  0.00           C  
ATOM    428  H6R  OL    94      44.976  10.540  46.736  1.00  0.00           H  
ATOM    429  H6S  OL    94      43.660   9.574  47.392  1.00  0.00           H  
ATOM    430  C17  OL    94      45.582   9.280  48.376  1.00  0.00           C  
ATOM    431  H7R  OL    94      45.199   8.989  49.355  1.00  0.00           H  
ATOM    432  H7S  OL    94      46.490   9.861  48.540  1.00  0.00           H  
ATOM    433  C18  OL    94      45.920   7.998  47.595  1.00  0.00           C  
ATOM    434  H8R  OL    94      45.012   7.574  47.166  1.00  0.00           H  
ATOM    435  H8S  OL    94      46.301   7.262  48.306  1.00  0.00           H  
ATOM    436  C19  OL    94      46.990   8.229  46.547  1.00  0.00           C  
ATOM    437  H9R  OL    94      48.006   8.262  46.933  1.00  0.00           H  
ATOM    438 C110  OL    94      46.795   8.358  45.241  1.00  0.00           C  
ATOM    439 H10R  OL    94      47.660   8.492  44.596  1.00  0.00           H  
ATOM    440 C111  OL    94      45.452   8.407  44.540  1.00  0.00           C  
ATOM    441 H11R  OL    94      45.080   9.434  44.578  1.00  0.00           H  
ATOM    442 H11S  OL    94      44.713   7.774  45.034  1.00  0.00           H  
ATOM    443 C112  OL    94      45.577   7.991  43.060  1.00  0.00           C  
ATOM    444 H12R  OL    94      45.671   6.905  43.001  1.00  0.00           H  
ATOM    445 H12S  OL    94      46.478   8.425  42.621  1.00  0.00           H  
ATOM    446 C113  OL    94      44.352   8.467  42.254  1.00  0.00           C  
ATOM    447 H13R  OL    94      43.440   8.185  42.784  1.00  0.00           H  
ATOM    448 H13S  OL    94      44.370   9.557  42.185  1.00  0.00           H  
ATOM    449 C114  OL    94      44.330   7.845  40.841  1.00  0.00           C  
ATOM    450 H14R  OL    94      45.223   8.136  40.281  1.00  0.00           H  
ATOM    451 H14S  OL    94      44.345   6.757  40.940  1.00  0.00           H  
ATOM    452 C115  OL    94      43.060   8.249  40.065  1.00  0.00           C  
ATOM    453 H15R  OL    94      42.198   8.147  40.727  1.00  0.00           H  
ATOM    454 H15S  OL    94      42.908   7.556  39.234  1.00  0.00           H  
ATOM    455 C116  OL    94      43.154   9.686  39.502  1.00  0.00           C  
ATOM    456 H16R  OL    94      43.854   9.688  38.664  1.00  0.00           H  
ATOM    457 H16S  OL    94      43.552  10.367  40.256  1.00  0.00           H  
ATOM    458 C117  OL    94      41.791  10.223  39.020  1.00  0.00           C  
ATOM    459 H17R  OL    94      41.956  11.167  38.495  1.00  0.00           H  
ATOM    460 H17S  OL    94      41.346   9.527  38.305  1.00  0.00           H  
ATOM    461 C118  OL    94      40.818  10.468  40.191  1.00  0.00           C  
ATOM    462 H18R  OL    94      39.947  11.035  39.856  1.00  0.00           H  
ATOM    463 H18S  OL    94      40.464   9.524  40.608  1.00  0.00           H  
ATOM    464 H18T  OL    94      41.306  11.037  40.985  1.00  0.00           H  
ATOM    465  C11  PC    95      39.754  12.760  49.170  1.00  0.00           C  
ATOM    466  O12  PC    95      39.007  12.140  49.909  1.00  0.00           O  
ATOM    467  O11  PC    95      39.319  13.629  48.234  1.00  0.00           O  
ATOM    468  C1   PC    95      37.889  13.809  48.022  1.00  0.00           C  
ATOM    469  HR   PC    95      37.749  13.974  46.950  1.00  0.00           H  
ATOM    470  HS   PC    95      37.332  12.905  48.288  1.00  0.00           H  
ATOM    471  C2   PC    95      37.351  15.038  48.799  1.00  0.00           C  
ATOM    472  HX   PC    95      37.817  15.941  48.389  1.00  0.00           H  
ATOM    473  C3   PC    95      37.602  14.999  50.326  1.00  0.00           C  
ATOM    474  HA   PC    95      37.122  14.125  50.778  1.00  0.00           H  
ATOM    475  HB   PC    95      38.679  14.947  50.517  1.00  0.00           H  
ATOM    476  O31  PC    95      37.050  16.222  50.902  1.00  0.00           O  
ATOM    477  P31  PC    95      37.805  17.005  52.072  1.00  0.00           P  
ATOM    478  O32  PC    95      39.184  17.282  51.342  1.00  0.00           O  
ATOM    479  C31  PC    95      39.340  18.377  50.422  1.00  0.00           C  
ATOM    480  H1A  PC    95      39.281  17.983  49.405  1.00  0.00           H  
ATOM    481  H1B  PC    95      38.552  19.122  50.568  1.00  0.00           H  
ATOM    482  C32  PC    95      40.719  19.020  50.652  1.00  0.00           C  
ATOM    483  H2A  PC    95      41.481  18.389  50.209  1.00  0.00           H  
ATOM    484  H2B  PC    95      40.755  19.982  50.135  1.00  0.00           H  
ATOM    485  N31  PC    95      41.149  19.276  52.081  1.00  0.00           N  
ATOM    486  C33  PC    95      41.510  18.023  52.826  1.00  0.00           C  
ATOM    487  H3A  PC    95      41.894  18.302  53.803  1.00  0.00           H  
ATOM    488  H3B  PC    95      40.619  17.408  52.953  1.00  0.00           H  
ATOM    489  H3C  PC    95      42.260  17.475  52.258  1.00  0.00           H  
ATOM    490  C34  PC    95      42.372  20.128  52.068  1.00  0.00           C  
ATOM    491  H4A  PC    95      43.155  19.602  51.522  1.00  0.00           H  
ATOM    492  H4B  PC    95      42.130  21.069  51.578  1.00  0.00           H  
ATOM    493  H4C  PC    95      42.663  20.311  53.102  1.00  0.00           H  
ATOM    494  C35  PC    95      40.064  19.991  52.820  1.00  0.00           C  
ATOM    495  H5A  PC    95      39.759  20.851  52.225  1.00  0.00           H  
ATOM    496  H5B  PC    95      40.444  20.306  53.793  1.00  0.00           H  
ATOM    497  H5C  PC    95      39.227  19.304  52.945  1.00  0.00           H  
ATOM    498  O33  PC    95      37.985  16.235  53.325  1.00  0.00           O  
ATOM    499  O34  PC    95      37.123  18.270  52.449  1.00  0.00           O  
ATOM    500  O21  PC    95      35.913  15.121  48.629  1.00  0.00           O  
ATOM    501  C21  PC    95      35.385  15.457  47.433  1.00  0.00           C  
ATOM    502  O22  PC    95      36.014  15.553  46.397  1.00  0.00           O  
ATOM    503  C12 OL2    96      33.907  15.700  47.556  1.00  0.00           C  
ATOM    504  H2R OL2    96      33.777  16.713  47.944  1.00  0.00           H  
ATOM    505  H2S OL2    96      33.482  15.030  48.296  1.00  0.00           H  
ATOM    506  C13 OL2    96      33.150  15.576  46.225  1.00  0.00           C  
ATOM    507  H3R OL2    96      33.681  16.159  45.478  1.00  0.00           H  
ATOM    508  H3S OL2    96      32.178  16.041  46.346  1.00  0.00           H  
ATOM    509  C14 OL2    96      32.921  14.141  45.704  1.00  0.00           C  
ATOM    510  H4R OL2    96      32.969  13.417  46.519  1.00  0.00           H  
ATOM    511  H4S OL2    96      33.724  13.900  45.005  1.00  0.00           H  
ATOM    512  C15 OL2    96      31.539  14.032  45.004  1.00  0.00           C  
ATOM    513  H5R OL2    96      31.231  14.998  44.623  1.00  0.00           H  
ATOM    514  H5S OL2    96      30.786  13.754  45.740  1.00  0.00           H  
ATOM    515  C16 OL2    96      31.543  13.037  43.827  1.00  0.00           C  
ATOM    516  H6R OL2    96      31.498  12.035  44.244  1.00  0.00           H  
ATOM    517  H6S OL2    96      32.481  13.109  43.275  1.00  0.00           H  
ATOM    518  C17 OL2    96      30.365  13.218  42.835  1.00  0.00           C  
ATOM    519  H7R OL2    96      29.415  13.111  43.362  1.00  0.00           H  
ATOM    520  H7S OL2    96      30.417  12.411  42.107  1.00  0.00           H  
ATOM    521  C18 OL2    96      30.385  14.559  42.065  1.00  0.00           C  
ATOM    522  H8R OL2    96      31.391  14.752  41.695  1.00  0.00           H  
ATOM    523  H8S OL2    96      30.112  15.363  42.749  1.00  0.00           H  
ATOM    524  C19 OL2    96      29.429  14.544  40.887  1.00  0.00           C  
ATOM    525  H9R OL2    96      28.719  13.720  40.876  1.00  0.00           H  
ATOM    526 C110 OL2    96      29.455  15.394  39.863  1.00  0.00           C  
ATOM    527 H10R OL2    96      28.753  15.267  39.043  1.00  0.00           H  
ATOM    528 C111 OL2    96      30.352  16.610  39.744  1.00  0.00           C  
ATOM    529 H11R OL2    96      30.789  16.850  40.712  1.00  0.00           H  
ATOM    530 H11S OL2    96      29.758  17.477  39.446  1.00  0.00           H  
ATOM    531 C112 OL2    96      31.493  16.402  38.730  1.00  0.00           C  
ATOM    532 H12R OL2    96      31.981  15.445  38.929  1.00  0.00           H  
ATOM    533 H12S OL2    96      32.233  17.190  38.880  1.00  0.00           H  
ATOM    534 C113 OL2    96      31.009  16.432  37.265  1.00  0.00           C  
ATOM    535 H13R OL2    96      30.589  17.413  37.033  1.00  0.00           H  
ATOM    536 H13S OL2    96      30.209  15.700  37.134  1.00  0.00           H  
ATOM    537 C114 OL2    96      32.149  16.092  36.277  1.00  0.00           C  
ATOM    538 H14R OL2    96      31.732  16.025  35.270  1.00  0.00           H  
ATOM    539 H14S OL2    96      32.544  15.102  36.520  1.00  0.00           H  
ATOM    540 C115 OL2    96      33.319  17.106  36.269  1.00  0.00           C  
ATOM    541 H15R OL2    96      34.086  16.724  35.592  1.00  0.00           H  
ATOM    542 H15S OL2    96      33.778  17.178  37.257  1.00  0.00           H  
ATOM    543 C116 OL2    96      32.882  18.506  35.787  1.00  0.00           C  
ATOM    544 H16R OL2    96      32.283  19.004  36.553  1.00  0.00           H  
ATOM    545 H16S OL2    96      32.254  18.392  34.904  1.00  0.00           H  
ATOM    546 C117 OL2    96      34.099  19.381  35.423  1.00  0.00           C  
ATOM    547 H17R OL2    96      34.783  18.816  34.786  1.00  0.00           H  
ATOM    548 H17S OL2    96      34.641  19.656  36.331  1.00  0.00           H  
ATOM    549 C118 OL2    96      33.662  20.648  34.668  1.00  0.00           C  
ATOM    550 H18R OL2    96      34.534  21.238  34.384  1.00  0.00           H  
ATOM    551 H18S OL2    96      33.128  20.383  33.754  1.00  0.00           H  
ATOM    552 H18T OL2    96      33.010  21.265  35.290  1.00  0.00           H  
ATOM    553  C12  OL   112      35.230  17.578  17.575  1.00  0.00           C  
ATOM    554  H2R  OL   112      35.255  17.561  16.484  1.00  0.00           H  
ATOM    555  H2S  OL   112      34.224  17.880  17.876  1.00  0.00           H  
ATOM    556  C13  OL   112      36.252  18.604  18.103  1.00  0.00           C  
ATOM    557  H3R  OL   112      36.028  19.588  17.691  1.00  0.00           H  
ATOM    558  H3S  OL   112      37.251  18.339  17.762  1.00  0.00           H  
ATOM    559  C14  OL   112      36.235  18.690  19.638  1.00  0.00           C  
ATOM    560  H4R  OL   112      36.711  17.800  20.056  1.00  0.00           H  
ATOM    561  H4S  OL   112      35.202  18.717  19.992  1.00  0.00           H  
ATOM    562  C15  OL   112      36.968  19.957  20.119  1.00  0.00           C  
ATOM    563  H5R  OL   112      36.357  20.840  19.915  1.00  0.00           H  
ATOM    564  H5S  OL   112      37.899  20.070  19.561  1.00  0.00           H  
ATOM    565  C16  OL   112      37.309  19.887  21.618  1.00  0.00           C  
ATOM    566  H6R  OL   112      37.850  20.793  21.894  1.00  0.00           H  
ATOM    567  H6S  OL   112      37.976  19.040  21.780  1.00  0.00           H  
ATOM    568  C17  OL   112      36.063  19.756  22.521  1.00  0.00           C  
ATOM    569  H7R  OL   112      35.492  18.864  22.259  1.00  0.00           H  
ATOM    570  H7S  OL   112      35.415  20.621  22.365  1.00  0.00           H  
ATOM    571  C18  OL   112      36.450  19.677  24.009  1.00  0.00           C  
ATOM    572  H8R  OL   112      37.065  20.546  24.251  1.00  0.00           H  
ATOM    573  H8S  OL   112      35.539  19.757  24.600  1.00  0.00           H  
ATOM    574  C19  OL   112      37.222  18.405  24.324  1.00  0.00           C  
ATOM    575  H9R  OL   112      38.030  18.179  23.632  1.00  0.00           H  
ATOM    576 C110  OL   112      37.016  17.567  25.335  1.00  0.00           C  
ATOM    577 H10R  OL   112      37.657  16.694  25.428  1.00  0.00           H  
ATOM    578 C111  OL   112      35.958  17.696  26.409  1.00  0.00           C  
ATOM    579 H11R  OL   112      35.289  18.517  26.190  1.00  0.00           H  
ATOM    580 H11S  OL   112      36.439  17.916  27.362  1.00  0.00           H  
ATOM    581 C112  OL   112      35.120  16.409  26.530  1.00  0.00           C  
ATOM    582 H12R  OL   112      34.773  16.128  25.534  1.00  0.00           H  
ATOM    583 H12S  OL   112      35.742  15.592  26.903  1.00  0.00           H  
ATOM    584 C113  OL   112      33.886  16.596  27.442  1.00  0.00           C  
ATOM    585 H13R  OL   112      33.305  17.457  27.105  1.00  0.00           H  
ATOM    586 H13S  OL   112      33.241  15.721  27.350  1.00  0.00           H  
ATOM    587 C114  OL   112      34.275  16.773  28.921  1.00  0.00           C  
ATOM    588 H14R  OL   112      34.845  15.904  29.249  1.00  0.00           H  
ATOM    589 H14S  OL   112      34.919  17.645  29.039  1.00  0.00           H  
ATOM    590 C115  OL   112      33.039  16.915  29.829  1.00  0.00           C  
ATOM    591 H15R  OL   112      32.479  15.979  29.786  1.00  0.00           H  
ATOM    592 H15S  OL   112      32.383  17.716  29.480  1.00  0.00           H  
ATOM    593 C116  OL   112      33.505  17.206  31.270  1.00  0.00           C  
ATOM    594 H16R  OL   112      34.316  16.524  31.509  1.00  0.00           H  
ATOM    595 H16S  OL   112      33.948  18.202  31.311  1.00  0.00           H  
ATOM    596 C117  OL   112      32.413  17.108  32.362  1.00  0.00           C  
ATOM    597 H17R  OL   112      32.906  16.896  33.311  1.00  0.00           H  
ATOM    598 H17S  OL   112      31.941  18.081  32.475  1.00  0.00           H  
ATOM    599 C118  OL   112      31.319  16.044  32.127  1.00  0.00           C  
ATOM    600 H18R  OL   112      30.708  16.302  31.260  1.00  0.00           H  
ATOM    601 H18S  OL   112      31.749  15.056  31.962  1.00  0.00           H  
ATOM    602 H18T  OL   112      30.661  15.986  32.996  1.00  0.00           H  
ATOM    603  C11  PC   113      35.502  16.178  18.066  1.00  0.00           C  
ATOM    604  O12  PC   113      36.590  15.637  17.992  1.00  0.00           O  
ATOM    605  O11  PC   113      34.395  15.586  18.568  1.00  0.00           O  
ATOM    606  C1   PC   113      34.377  14.143  18.752  1.00  0.00           C  
ATOM    607  HR   PC   113      35.282  13.818  19.276  1.00  0.00           H  
ATOM    608  HS   PC   113      33.500  13.880  19.351  1.00  0.00           H  
ATOM    609  C2   PC   113      34.274  13.454  17.372  1.00  0.00           C  
ATOM    610  HX   PC   113      35.212  13.581  16.822  1.00  0.00           H  
ATOM    611  C3   PC   113      33.131  14.021  16.511  1.00  0.00           C  
ATOM    612  HA   PC   113      32.554  13.197  16.078  1.00  0.00           H  
ATOM    613  HB   PC   113      32.454  14.653  17.094  1.00  0.00           H  
ATOM    614  O31  PC   113      33.735  14.793  15.447  1.00  0.00           O  
ATOM    615  P31  PC   113      32.915  15.050  14.111  1.00  0.00           P  
ATOM    616  O32  PC   113      31.650  15.845  14.694  1.00  0.00           O  
ATOM    617  C31  PC   113      31.768  17.171  15.276  1.00  0.00           C  
ATOM    618  H1A  PC   113      30.813  17.449  15.736  1.00  0.00           H  
ATOM    619  H1B  PC   113      32.528  17.149  16.065  1.00  0.00           H  
ATOM    620  C32  PC   113      32.163  18.216  14.208  1.00  0.00           C  
ATOM    621  H2A  PC   113      32.325  19.181  14.694  1.00  0.00           H  
ATOM    622  H2B  PC   113      33.101  17.921  13.743  1.00  0.00           H  
ATOM    623  N31  PC   113      31.200  18.484  13.073  1.00  0.00           N  
ATOM    624  C33  PC   113      30.845  17.249  12.295  1.00  0.00           C  
ATOM    625  H3A  PC   113      31.768  16.776  11.957  1.00  0.00           H  
ATOM    626  H3B  PC   113      30.289  16.574  12.945  1.00  0.00           H  
ATOM    627  H3C  PC   113      30.239  17.536  11.437  1.00  0.00           H  
ATOM    628  C34  PC   113      29.952  19.117  13.597  1.00  0.00           C  
ATOM    629  H4A  PC   113      30.226  20.057  14.077  1.00  0.00           H  
ATOM    630  H4B  PC   113      29.272  19.298  12.763  1.00  0.00           H  
ATOM    631  H4C  PC   113      29.496  18.447  14.325  1.00  0.00           H  
ATOM    632  C35  PC   113      31.857  19.447  12.141  1.00  0.00           C  
ATOM    633  H5A  PC   113      32.751  18.979  11.728  1.00  0.00           H  
ATOM    634  H5B  PC   113      32.119  20.343  12.704  1.00  0.00           H  
ATOM    635  H5C  PC   113      31.155  19.693  11.342  1.00  0.00           H  
ATOM    636  O33  PC   113      33.696  15.807  13.107  1.00  0.00           O  
ATOM    637  O34  PC   113      32.531  13.784  13.445  1.00  0.00           O  
ATOM    638  O21  PC   113      34.004  12.042  17.537  1.00  0.00           O  
ATOM    639  C21  PC   113      35.026  11.166  17.617  1.00  0.00           C  
ATOM    640  O22  PC   113      36.204  11.474  17.625  1.00  0.00           O  
ATOM    641  C12 OL2   114      34.555   9.740  17.753  1.00  0.00           C  
ATOM    642  H2R OL2   114      35.424   9.079  17.770  1.00  0.00           H  
ATOM    643  H2S OL2   114      33.952   9.480  16.881  1.00  0.00           H  
ATOM    644  C13 OL2   114      33.722   9.540  19.035  1.00  0.00           C  
ATOM    645  H3R OL2   114      33.474   8.482  19.142  1.00  0.00           H  
ATOM    646  H3S OL2   114      32.782  10.092  18.952  1.00  0.00           H  
ATOM    647  C14 OL2   114      34.496  10.024  20.276  1.00  0.00           C  
ATOM    648  H4R OL2   114      34.701  11.094  20.192  1.00  0.00           H  
ATOM    649  H4S OL2   114      35.456   9.507  20.337  1.00  0.00           H  
ATOM    650  C15 OL2   114      33.701   9.781  21.566  1.00  0.00           C  
ATOM    651  H5R OL2   114      33.558   8.709  21.720  1.00  0.00           H  
ATOM    652  H5S OL2   114      32.716  10.250  21.489  1.00  0.00           H  
ATOM    653  C16 OL2   114      34.468  10.390  22.748  1.00  0.00           C  
ATOM    654  H6R OL2   114      34.580  11.463  22.580  1.00  0.00           H  
ATOM    655  H6S OL2   114      35.470   9.957  22.799  1.00  0.00           H  
ATOM    656  C17 OL2   114      33.736  10.137  24.075  1.00  0.00           C  
ATOM    657  H7R OL2   114      33.691   9.063  24.268  1.00  0.00           H  
ATOM    658  H7S OL2   114      32.709  10.507  24.015  1.00  0.00           H  
ATOM    659  C18 OL2   114      34.462  10.834  25.235  1.00  0.00           C  
ATOM    660  H8R OL2   114      35.512  10.534  25.234  1.00  0.00           H  
ATOM    661  H8S OL2   114      34.036  10.476  26.171  1.00  0.00           H  
ATOM    662  C19 OL2   114      34.365  12.344  25.110  1.00  0.00           C  
ATOM    663  H9R OL2   114      34.881  12.774  24.254  1.00  0.00           H  
ATOM    664 C110 OL2   114      33.739  13.155  25.956  1.00  0.00           C  
ATOM    665 H10R OL2   114      33.744  14.225  25.768  1.00  0.00           H  
ATOM    666 C111 OL2   114      32.990  12.719  27.197  1.00  0.00           C  
ATOM    667 H11R OL2   114      32.617  11.699  27.097  1.00  0.00           H  
ATOM    668 H11S OL2   114      32.110  13.354  27.326  1.00  0.00           H  
ATOM    669 C112 OL2   114      33.863  12.826  28.461  1.00  0.00           C  
ATOM    670 H12R OL2   114      33.327  12.375  29.300  1.00  0.00           H  
ATOM    671 H12S OL2   114      34.007  13.879  28.703  1.00  0.00           H  
ATOM    672 C113 OL2   114      35.248  12.156  28.308  1.00  0.00           C  
ATOM    673 H13R OL2   114      35.828  12.678  27.545  1.00  0.00           H  
ATOM    674 H13S OL2   114      35.146  11.111  28.011  1.00  0.00           H  
ATOM    675 C114 OL2   114      35.985  12.233  29.647  1.00  0.00           C  
ATOM    676 H14R OL2   114      35.776  13.212  30.085  1.00  0.00           H  
ATOM    677 H14S OL2   114      35.580  11.471  30.314  1.00  0.00           H  
ATOM    678 C115 OL2   114      37.515  12.056  29.541  1.00  0.00           C  
ATOM    679 H15R OL2   114      37.873  12.427  28.578  1.00  0.00           H  
ATOM    680 H15S OL2   114      37.769  10.995  29.601  1.00  0.00           H  
ATOM    681 C116 OL2   114      38.233  12.841  30.662  1.00  0.00           C  
ATOM    682 H16R OL2   114      38.114  13.903  30.476  1.00  0.00           H  
ATOM    683 H16S OL2   114      39.304  12.636  30.634  1.00  0.00           H  
ATOM    684 C117 OL2   114      37.664  12.528  32.058  1.00  0.00           C  
ATOM    685 H17R OL2   114      37.934  11.514  32.326  1.00  0.00           H  
ATOM    686 H17S OL2   114      36.586  12.544  32.044  1.00  0.00           H  
ATOM    687 C118 OL2   114      38.102  13.554  33.118  1.00  0.00           C  
ATOM    688 H18R OL2   114      37.829  14.564  32.805  1.00  0.00           H  
ATOM    689 H18S OL2   114      39.176  13.522  33.286  1.00  0.00           H  
ATOM    690 H18T OL2   114      37.599  13.350  34.063  1.00  0.00           H  
END