*HEADER    ANTIFUNGAL PROTEIN                      14-FEB-18   6CFB              
*TITLE     ISOLATION, CHARACTERIZATION, AND SYNTHESIS OF THE BARRETTIDES:        
*TITLE    2 DISULFIDE-CONTAINING PEPTIDES FROM THE MARINE SPONGE GEODIA BARRETTI 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BARRETTIDE A;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: GEODIA BARRETTI;                                
*SOURCE   4 ORGANISM_TAXID: 519541                                               
*KEYWDS    STRUCTURE FROM MOLMOL, DISULFIDE RICH PEPTIDE, ANTIFUNGAL, MARINE     
*KEYWDS   2 SPONGE, ANTIFUNGAL PROTEIN                                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.J.ROSENGREN,B.B.CARSTENS,R.J.CLARK,U.GORANSSON                      
*REVDAT   1   21-MAR-18 6CFB    0                                                
# Restraints file 1: unambig.tbl
!# 18 CYSS H      18 CYSS HB3     3.89            #peak 5
!# 18 CYSS H      18 CYSS HB2     2.96            #peak 6
!# 17 THR  H      17 THR  HB      3.21            #peak 13
!#  7 CYSS H       7 CYSS HB2     3.33            #peak 18
!#  7 CYSS H       7 CYSS HB3     3.98            #peak 19
!#  9 GLU  HA     16 LYS  H       3.89            #peak 22
!#  2 VAL  H       2 VAL  HB      4.17            #peak 24
!#  3 SER  H       3 SER  HB2     3.95            #peak 36
!#  3 SER  H       3 SER  HB3     3.95            #peak 37
!# 14 GLY  H      14 GLY  HA2     2.59            #peak 50
!#  5 CYSS H       5 CYSS HB2     3.33            #peak 54
!#  5 CYSS H       5 CYSS HB3     3.21            #peak 55
!# 26 SER  HA     27 ARG  H       3.05            #peak 56
!# 29 THR  H      29 THR  HB      3.98            #peak 63
!# 11 GLU  H      11 GLU  HB3     3.70            #peak 76
!#  8 VAL  H       8 VAL  HB      3.39            #peak 78
!#  4 PRO  HB3     5 CYSS H       3.55            #peak 80
!# 10 ASP  H      10 ASP  HB3     2.90            #peak 86
!# 10 ASP  H      10 ASP  HB2     3.05            #peak 87
!#  6 PHE  HA      7 CYSS H       2.93            #peak 93
!#  5 CYSS HB3     6 PHE  H       4.57            #peak 94
!#  5 CYSS HB2     6 PHE  H       4.48            #peak 95
!#  5 CYSS HA      6 PHE  H       2.59            #peak 96
!#  4 PRO  HA      5 CYSS H       2.83            #peak 109
!#  7 CYSS HA      8 VAL  H       2.52            #peak 110
!#  7 CYSS HB2     8 VAL  H       3.76            #peak 113
!#  7 CYSS HB3     8 VAL  H       3.21            #peak 114
!# 16 LYS  H      16 LYS  QB      3.78            #peak 118
!#  9 GLU  H       9 GLU  HB3     3.67            #peak 119
!# 21 ASP  H      21 ASP  HB3     3.45            #peak 123
!# 25 ALA  HA     26 SER  H       3.27            #peak 132
!# 15 ALA  HA     16 LYS  H       2.59            #peak 134
!# 27 ARG  HA     28 GLY  H       3.36            #peak 135
!# 16 LYS  HA     17 THR  H       2.56            #peak 141
!# 17 THR  HA     18 CYSS H       2.52            #peak 142
!# 19 VAL  H      19 VAL  HB      3.27            #peak 144
!# 18 CYSS HA     19 VAL  H       2.68            #peak 148
!# 17 THR  HB     18 CYSS H       4.01            #peak 151
!# 18 CYSS HB2    19 VAL  H       3.36            #peak 152
!# 18 CYSS HB3    19 VAL  H       3.27            #peak 153
!#  2 VAL  HA      3 SER  H       2.90            #peak 157
!#  2 VAL  HB      3 SER  H       4.72            #peak 158
!#  8 VAL  HA      9 GLU  H       2.40            #peak 165
!#  8 VAL  HB      9 GLU  H       3.61            #peak 166
!#  9 GLU  H       9 GLU  HB2     3.67            #peak 171
!#  9 GLU  HB2    10 ASP  H       4.51            #peak 179
!#  9 GLU  HB3    10 ASP  H       4.51            #peak 180
!#  9 GLU  HA     10 ASP  H       2.96            #peak 181
!# 10 ASP  HA     11 GLU  H       2.65            #peak 185
!# 10 ASP  HB3    11 GLU  H       4.88            #peak 186
!# 10 ASP  HB2    11 GLU  H       4.38            #peak 187
!# 11 GLU  H      11 GLU  HB2     3.70            #peak 188
!# 11 GLU  HB2    12 THR  H       4.11            #peak 197
!# 11 GLU  HB3    12 THR  H       4.11            #peak 198
!# 12 THR  H      12 THR  HB      3.55            #peak 199
!# 12 THR  HB     13 SER  H       3.42            #peak 204
!# 13 SER  HA     15 ALA  H       4.66            #peak 210
!# 16 LYS  QB     17 THR  H       4.89            #peak 231
!# 22 ASN  H      22 ASN  HB2     3.89            #peak 266
!# 22 ASN  H      22 ASN  HA      2.71            #peak 267
!# 24 ASP  QB     25 ALA  H       5.79            #peak 268
!# 23 CYSS HA     24 ASP  H       3.30            #peak 272
!# 23 CYSS H      24 ASP  H       3.61            #peak 274
!# 23 CYSS H      23 CYSS HB3     2.96            #peak 277
!# 23 CYSS HB3    24 ASP  H       4.54            #peak 278
!# 22 ASN  HB2    23 CYSS H       4.72            #peak 280
!# 22 ASN  H      22 ASN  HB3     3.89            #peak 281
!# 22 ASN  HA     23 CYSS H       3.45            #peak 285
!# 21 ASP  HA     22 ASN  H       2.62            #peak 289
!# 21 ASP  HB2    22 ASN  H       4.38            #peak 290
!# 21 ASP  HB3    22 ASN  H       4.14            #peak 291
!# 21 ASP  H      21 ASP  HB2     2.93            #peak 292
!# 20 PRO  HB2    21 ASP  H       3.45            #peak 297
!# 20 PRO  HA     21 ASP  H       3.33            #peak 298
!# 19 VAL  HA     21 ASP  H       3.52            #peak 309
!# 20 PRO  HB3    21 ASP  H       3.45            #peak 310
!# 26 SER  QB     27 ARG  H       5.76            #peak 315
!#  8 VAL  H      18 CYSS HA      3.92            #peak 367
!#  7 CYSS HA     17 THR  H       5.16            #peak 368
!#  7 CYSS HA     19 VAL  H       3.92            #peak 369
!# 10 ASP  H      16 LYS  HA      3.70            #peak 400
!# 12 THR  H      13 SER  H       3.21            #peak 409
!#  4 PRO  HB2     5 CYSS H       4.14            #peak 430
!# 10 ASP  HB3    13 SER  H       3.27            #peak 436
!# 10 ASP  HB2    13 SER  H       4.42            #peak 437
!# 10 ASP  HB2    12 THR  H       5.50            #peak 438
!# 24 ASP  HA     26 SER  H       5.04            #peak 442
!#  9 GLU  HA     17 THR  H       4.66            #peak 445
!# 10 ASP  HA     12 THR  H       3.58            #peak 446
!# 25 ALA  H      26 SER  H       3.70            #peak 447
!# 10 ASP  H      11 GLU  H       4.26            #peak 452
!# 11 GLU  H      12 THR  H       3.17            #peak 453
!# 17 THR  H      18 CYSS H       4.94            #peak 454
!# 18 CYSS H      19 VAL  H       5.41            #peak 455
!#  6 PHE  H      19 VAL  H       3.73            #peak 456
!# 21 ASP  H      22 ASN  H       4.72            #peak 457
!# 11 GLU  H      13 SER  H       5.22            #peak 458
!# 10 ASP  H      14 GLY  H       5.34            #peak 459
!#  5 CYSS H       6 PHE  H       4.94            #peak 460
!# 22 ASN  H      23 CYSS H       3.33            #peak 463
!# 10 ASP  H      15 ALA  H       3.86            #peak 465
!# 14 GLY  H      15 ALA  H       3.02            #peak 466
!# 29 THR  H      30 ASN  H       5.16            #peak 467
!# 28 GLY  H      29 THR  H       5.50            #peak 468
!# 24 ASP  H      25 ALA  H       3.55            #peak 470
!# 22 ASN  HB3    23 CYSS H       4.72            #peak 483
!# 21 ASP  HA     23 CYSS H       4.14            #peak 486
!# 18 CYSS H      21 ASP  HA      4.17            #peak 489
!#  8 VAL  HA     17 THR  H       5.50            #peak 490
!# 22 ASN  HA     24 ASP  H       4.23            #peak 493
!#  1 ASP  HA      2 VAL  H       3.02            #peak 498
!# 27 ARG  H      28 GLY  H       4.23            #peak 517
!# 11 GLU  H      11 GLU  QG      6.01            #peak 3
!#  9 GLU  H       9 GLU  QG      6.38            #peak 33
!# 27 ARG  H      27 ARG  QG      6.38            #peak 58
!# 27 ARG  HB2    27 ARG  HE      5.50            #peak 72
!# 27 ARG  HB3    27 ARG  HE      5.50            #peak 73
!#  6 PHE  HA      6 PHE  QD      7.57            #peak 89
!# 16 LYS  H      16 LYS  QD      6.38            #peak 117
!#  9 GLU  QG     10 ASP  H       6.04            #peak 178
!# 11 GLU  QG     12 THR  H       6.38            #peak 196
!# 16 LYS  QD     17 THR  H       6.38            #peak 232
!# 16 LYS  HG2    17 THR  H       5.25            #peak 233
!# 16 LYS  HG3    17 THR  H       5.25            #peak 234
!# 27 ARG  QG     28 GLY  H       6.38            #peak 259
!# 18 CYSS HB3    24 ASP  H       5.04            #peak 279
!# 18 CYSS HB3    23 CYSS H       3.83            #peak 284
!# 20 PRO  HG3    21 ASP  H       5.50            #peak 296
!#  4 PRO  HB3     6 PHE  QE      7.63            #peak 376
!#  4 PRO  HB3     6 PHE  QD      7.63            #peak 377
!#  4 PRO  HB2     6 PHE  QD      7.63            #peak 378
!#  4 PRO  HB2     6 PHE  QE      7.63            #peak 379
!#  6 PHE  QE      8 VAL  HB      7.63            #peak 380
!#  6 PHE  QD      8 VAL  HB      7.63            #peak 381
!#  4 PRO  QG      6 PHE  QD      8.52            #peak 382
!#  4 PRO  QG      6 PHE  QE      8.52            #peak 383
!#  8 VAL  H      16 LYS  HG2     5.50            #peak 422
!#  8 VAL  H      16 LYS  HG3     5.50            #peak 423
!#  8 VAL  HB     17 THR  H       5.50            #peak 427
!#  9 GLU  QG     17 THR  H       6.38            #peak 428
!#  7 CYSS HB3    17 THR  H       5.50            #peak 429
!#  6 PHE  H      19 VAL  HB      5.50            #peak 432
!# 18 CYSS HB2    24 ASP  H       5.50            #peak 433
!#  6 PHE  H      18 CYSS HB3     5.50            #peak 434
!#  6 PHE  H      20 PRO  QD      6.39            #peak 440
!#  6 PHE  H       6 PHE  QD      7.63            #peak 461
!#  6 PHE  H       6 PHE  QE      7.63            #peak 462
!#  6 PHE  QD      7 CYSS HA      7.63            #peak 473
!#  5 CYSS HB3     6 PHE  QE      7.63            #peak 475
!#  5 CYSS HB3     6 PHE  QD      7.63            #peak 476
!#  9 GLU  QG     15 ALA  H       6.38            #peak 478
!# 10 ASP  HB2    15 ALA  H       5.50            #peak 479
!# 20 PRO  HG3    23 CYSS H       5.50            #peak 481
!# 10 ASP  HB3    15 ALA  H       3.55            #peak 482
!# 18 CYSS HB2    23 CYSS H       4.82            #peak 484
!# 20 PRO  QD     23 CYSS H       6.39            #peak 485
!# 10 ASP  H      16 LYS  HG2     5.50            #peak 512
!# 10 ASP  H      16 LYS  HG3     5.50            #peak 513
!#  9 GLU  QG     14 GLY  H       6.38            #peak 514
!#  8 VAL  H       8 VAL  QQG     6.33            #peak 28
!# 29 THR  H      29 THR  QG2     6.52            #peak 64
!# 15 ALA  H      15 ALA  QB      3.98            #peak 67
!# 17 THR  H      17 THR  QG2     5.62            #peak 121
!# 25 ALA  QB     26 SER  H       5.71            #peak 133
!# 12 THR  H      12 THR  QG2     5.43            #peak 138
!# 19 VAL  H      19 VAL  QQG     6.61            #peak 143
!# 17 THR  QG2    18 CYSS H       5.15            #peak 149
!# 18 CYSS H      19 VAL  QQG     7.60            #peak 150
!#  2 VAL  QQG     3 SER  H       7.60            #peak 159
!#  2 VAL  H       2 VAL  QQG     7.60            #peak 160
!#  8 VAL  QQG     9 GLU  H       6.76            #peak 167
!# 12 THR  QG2    13 SER  H       6.52            #peak 205
!# 15 ALA  QB     16 LYS  H       4.88            #peak 214
!# 19 VAL  QQG    21 ASP  H       7.60            #peak 244
!# 29 THR  QG2    30 ASN  H       6.52            #peak 318
!#  6 PHE  QE      8 VAL  QQG     9.73            #peak 370
!#  6 PHE  QD      8 VAL  QQG     9.73            #peak 371
!#  6 PHE  QE     19 VAL  QQG     9.73            #peak 372
!#  6 PHE  QD     19 VAL  QQG     9.73            #peak 373
!#  6 PHE  QD     17 THR  QG2     8.65            #peak 374
!#  6 PHE  QE     17 THR  QG2     8.65            #peak 375
!# 11 GLU  H      12 THR  QG2     6.52            #peak 413
!#  8 VAL  QQG    19 VAL  H       7.60            #peak 415
!# 17 THR  QG2    19 VAL  H       6.52            #peak 416
!#  8 VAL  QQG    17 THR  H       7.60            #peak 417
!#  6 PHE  H      19 VAL  QQG     7.60            #peak 418
!#  7 CYSS H       8 VAL  QQG     7.60            #peak 419
!#  8 VAL  H      17 THR  QG2     6.52            #peak 421
!# 16 LYS  H      17 THR  QG2     6.52            #peak 424
!# 10 ASP  H      17 THR  QG2     6.52            #peak 425
!# 24 ASP  H      25 ALA  QB      6.52            #peak 426
!# 22 ASN  HD21   25 ALA  QB      6.52            #peak 502
!# 22 ASN  HD22   25 ALA  QB      6.52            #peak 503
!# 14 GLY  H      15 ALA  QB      6.52            #peak 515
!# 10 ASP  HA     10 ASP  HB2     2.99            #peak 183
!# 13 SER  HA     13 SER  HB2     2.93            #peak 209
!# 19 VAL  HA     20 PRO  HA      2.40            #peak 311
!# 19 VAL  HA     20 PRO  QB      5.24            #peak 312
!# 18 CYSS HA     19 VAL  HB      5.16            #peak 334
!#  7 CYSS HA      7 CYSS HB3     2.74            #peak 336
!#  7 CYSS HA      8 VAL  HB      5.25            #peak 337
!#  7 CYSS HA      7 CYSS HB2     3.02            #peak 338
!#  6 PHE  QB      7 CYSS HA      4.92            #peak 341
!# 18 CYSS HA     18 CYSS HB3     2.87            #peak 343
!#  7 CYSS HA      8 VAL  HA      5.22            #peak 344
!#  7 CYSS HA     18 CYSS HA      2.43            #peak 348
!# 23 CYSS HA     23 CYSS HB2     2.90            #peak 352
!# 23 CYSS HA     23 CYSS HB3     2.87            #peak 353
!#  5 CYSS HA      5 CYSS HB2     2.99            #peak 355
!#  4 PRO  HA      5 CYSS HB2     4.63            #peak 360
!#  4 PRO  HA      5 CYSS HB3     4.88            #peak 361
!# 22 ASN  HA     22 ASN  HB2     3.02            #peak 389
!# 22 ASN  HA     22 ASN  HB3     3.02            #peak 390
!# 13 SER  HA     13 SER  HB3     2.93            #peak 496
!# 18 CYSS HB2    21 ASP  HA      4.26            #peak 506
!#  9 GLU  HA     16 LYS  HA      3.21            #peak 533
!#  3 SER  HA      4 PRO  HD2     3.39            #peak 155
!#  3 SER  HA      4 PRO  HD3     3.39            #peak 156
!#  3 SER  HA      4 PRO  QG      5.89            #peak 172
!# 16 LYS  HA     16 LYS  QD      6.38            #peak 217
!# 16 LYS  HA     16 LYS  QE      6.38            #peak 219
!# 16 LYS  QB     16 LYS  QE      7.26            #peak 221
!# 27 ARG  HA     27 ARG  QD      6.38            #peak 246
!# 26 SER  HA     27 ARG  QG      6.07            #peak 249
!#  7 CYSS HB3    18 CYSS HA      4.63            #peak 335
!#  7 CYSS HA     18 CYSS HB3     4.66            #peak 342
!#  5 CYSS HA     23 CYSS HB2     5.10            #peak 358
!#  5 CYSS HA     23 CYSS HB3     5.50            #peak 359
!#  7 CYSS HB2    18 CYSS HA      5.50            #peak 364
!#  5 CYSS HA     20 PRO  QD      5.05            #peak 505
!# 20 PRO  QD     23 CYSS HB3     4.87            #peak 507
!# 20 PRO  QD     23 CYSS HB2     6.39            #peak 508
!#  5 CYSS HB3    20 PRO  QD      6.39            #peak 509
!#  9 GLU  QG     16 LYS  HA      6.38            #peak 511
!#  9 GLU  HA     16 LYS  QB      6.38            #peak 513
!#  6 PHE  QB     19 VAL  HB      5.76            #peak 516
!# 18 CYSS HB3    19 VAL  HB      5.44            #peak 517
!# 20 PRO  HG2    23 CYSS HB2     5.50            #peak 518
!# 20 PRO  HG3    23 CYSS HB2     5.22            #peak 519
!#  7 CYSS HB3    16 LYS  QB      6.38            #peak 521
!#  7 CYSS HB3    16 LYS  QD      6.38            #peak 522
!# 20 PRO  HG3    23 CYSS HB3     4.04            #peak 523
!# 20 PRO  HG2    23 CYSS HB3     4.45            #peak 524
!#  9 GLU  QG     16 LYS  QE      7.26            #peak 526
!#  7 CYSS HA     16 LYS  QB      6.38            #peak 531
!#  7 CYSS HA     16 LYS  QD      6.38            #peak 532
!#  9 GLU  HB2    16 LYS  HA      5.50            #peak 534
!#  9 GLU  HB3    16 LYS  HA      5.50            #peak 535
!# 17 THR  QG2    18 CYSS HA      6.52            #peak 393
!#  7 CYSS HA     17 THR  QG2     6.52            #peak 394
!#  7 CYSS HA     19 VAL  QQG     7.60            #peak 395
!#  7 CYSS HA      8 VAL  QQG     7.60            #peak 396
!#  8 VAL  QQG    18 CYSS HA      7.60            #peak 397
!# 18 CYSS HA     19 VAL  QQG     7.60            #peak 398
!# 19 VAL  QQG    20 PRO  HA      5.77            #peak 528
!# 19 VAL  QQG    20 PRO  QD      8.49            #peak 529
!#  6 PHE  QB     19 VAL  QQG     8.23            #peak 530
!#  8 VAL  QQG    17 THR  HB      6.95            #peak 536
!#  3 SER  H       3 SER  QB      3.40            #peak 36
!#  3 SER  HA      4 PRO  QD      2.82            #peak 155
!# 10 ASP  H      13 SER  QB      5.11            #peak 516
!# 11 GLU  H      11 GLU  QB      3.10            #peak 76
!# 13 SER  H      13 SER  QB      2.79            #peak 494
!# 13 SER  HA     13 SER  QB      2.50            #peak 209
!# 13 SER  QB     15 ALA  H       3.85            #peak 212
!# 16 LYS  H      16 LYS  QG      5.34            #peak 27
!# 16 LYS  HA     16 LYS  QG      3.66            #peak 220
!# 16 LYS  QG     17 THR  H       4.42            #peak 233
!# 20 PRO  QB     23 CYSS H       4.53            #peak 480
!# 20 PRO  QB     23 CYSS HB3     4.41            #peak 525
!# 22 ASN  H      22 ASN  QB      3.34            #peak 266
!# 22 ASN  QB     23 CYSS H       3.93            #peak 280
!# 27 ARG  H      27 ARG  QB      3.35            #peak 57
assign (resid  18 and name   HN)   (resid  18 and name  HB1)   2.845    1.045    1.045  
assign (resid  18 and name   HN)   (resid  18 and name  HB2)   2.380    0.580    0.580  
assign (resid  17 and name   HN)   (resid  17 and name   HB)   2.505    0.705    0.705  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.565    0.765    0.765  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.890    1.090    1.090  
assign (resid   9 and name   HA)   (resid  16 and name   HN)   2.845    1.045    1.045  
assign (resid   2 and name   HN)   (resid   2 and name   HB)   2.985    1.185    1.185  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.875    1.075    1.075  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.875    1.075    1.075  
assign (resid  14 and name   HN)   (resid  14 and name  HA2)   2.195    0.395    0.395  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.565    0.765    0.765  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.505    0.705    0.705  
assign (resid  26 and name   HA)   (resid  27 and name   HN)   2.425    0.625    0.625  
assign (resid  29 and name   HN)   (resid  29 and name   HB)   2.890    1.090    1.090  
assign (resid  11 and name   HN)   (resid  11 and name  HB1)   2.750    0.950    0.950  
assign (resid   8 and name   HN)   (resid   8 and name   HB)   2.595    0.795    0.795  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   2.675    0.875    0.875  
assign (resid  10 and name   HN)   (resid  10 and name  HB1)   2.350    0.550    0.550  
assign (resid  10 and name   HN)   (resid  10 and name  HB2)   2.425    0.625    0.625  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.365    0.565    0.565  
assign (resid   5 and name  HB1)   (resid   6 and name   HN)   3.185    1.385    1.385  
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   3.140    1.340    1.340  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.195    0.395    0.395  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.315    0.515    0.515  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.160    0.360    0.360  
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   2.780    0.980    0.980  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.505    0.705    0.705  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.790    0.990    0.990  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.735    0.935    0.935  
assign (resid  21 and name   HN)   (resid  21 and name  HB1)   2.625    0.825    0.825  
assign (resid  25 and name   HA)   (resid  26 and name   HN)   2.535    0.735    0.735  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.195    0.395    0.395  
assign (resid  27 and name   HA)   (resid  28 and name   HN)   2.580    0.780    0.780  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.180    0.380    0.380  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.160    0.360    0.360  
assign (resid  19 and name   HN)   (resid  19 and name   HB)   2.535    0.735    0.735  
assign (resid  18 and name   HA)   (resid  19 and name   HN)   2.240    0.440    0.440  
assign (resid  17 and name   HB)   (resid  18 and name   HN)   2.905    1.105    1.105  
assign (resid  18 and name  HB2)   (resid  19 and name   HN)   2.580    0.780    0.780  
assign (resid  18 and name  HB1)   (resid  19 and name   HN)   2.535    0.735    0.735  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.350    0.550    0.550  
assign (resid   2 and name   HB)   (resid   3 and name   HN)   3.260    1.460    1.460  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.100    0.300    0.300  
assign (resid   8 and name   HB)   (resid   9 and name   HN)   2.705    0.905    0.905  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.735    0.935    0.935  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   3.155    1.355    1.355  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   3.155    1.355    1.355  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.380    0.580    0.580  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.225    0.425    0.425  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   3.340    1.540    1.540  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   3.090    1.290    1.290  
assign (resid  11 and name   HN)   (resid  11 and name  HB2)   2.750    0.950    0.950  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   2.955    1.155    1.155  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   2.955    1.155    1.155  
assign (resid  12 and name   HN)   (resid  12 and name   HB)   2.675    0.875    0.875  
assign (resid  12 and name   HB)   (resid  13 and name   HN)   2.610    0.810    0.810  
assign (resid  13 and name   HA)   (resid  15 and name   HN)   3.230    1.430    1.430  
assign (resid  16 and name  HB#)   (resid  17 and name   HN)   3.345    1.545    1.545  
assign (resid  22 and name   HN)   (resid  22 and name  HB2)   2.845    1.045    1.045  
assign (resid  22 and name   HN)   (resid  22 and name   HA)   2.255    0.455    0.455  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   3.795    1.995    1.995  
assign (resid  23 and name   HA)   (resid  24 and name   HN)   2.550    0.750    0.750  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   2.705    0.905    0.905  
assign (resid  23 and name   HN)   (resid  23 and name  HB1)   2.380    0.580    0.580  
assign (resid  23 and name  HB1)   (resid  24 and name   HN)   3.170    1.370    1.370  
assign (resid  22 and name  HB2)   (resid  23 and name   HN)   3.260    1.460    1.460  
assign (resid  22 and name   HN)   (resid  22 and name  HB1)   2.845    1.045    1.045  
assign (resid  22 and name   HA)   (resid  23 and name   HN)   2.625    0.825    0.825  
assign (resid  21 and name   HA)   (resid  22 and name   HN)   2.210    0.410    0.410  
assign (resid  21 and name  HB2)   (resid  22 and name   HN)   3.090    1.290    1.290  
assign (resid  21 and name  HB1)   (resid  22 and name   HN)   2.970    1.170    1.170  
assign (resid  21 and name   HN)   (resid  21 and name  HB2)   2.365    0.565    0.565  
assign (resid  20 and name  HB2)   (resid  21 and name   HN)   2.625    0.825    0.825  
assign (resid  20 and name   HA)   (resid  21 and name   HN)   2.565    0.765    0.765  
assign (resid  19 and name   HA)   (resid  21 and name   HN)   2.660    0.860    0.860  
assign (resid  20 and name  HB1)   (resid  21 and name   HN)   2.625    0.825    0.825  
assign (resid  26 and name  HB#)   (resid  27 and name   HN)   3.780    1.980    1.980  
assign (resid   8 and name   HN)   (resid  18 and name   HA)   2.860    1.060    1.060  
assign (resid   7 and name   HA)   (resid  17 and name   HN)   3.480    1.680    1.680  
assign (resid   7 and name   HA)   (resid  19 and name   HN)   2.860    1.060    1.060  
assign (resid  10 and name   HN)   (resid  16 and name   HA)   2.750    0.950    0.950  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.505    0.705    0.705  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   2.970    1.170    1.170  
assign (resid  10 and name  HB1)   (resid  13 and name   HN)   2.535    0.735    0.735  
assign (resid  10 and name  HB2)   (resid  13 and name   HN)   3.110    1.310    1.310  
assign (resid  10 and name  HB2)   (resid  12 and name   HN)   3.650    1.850    1.850  
assign (resid  24 and name   HA)   (resid  26 and name   HN)   3.420    1.620    1.620  
assign (resid   9 and name   HA)   (resid  17 and name   HN)   3.230    1.430    1.430  
assign (resid  10 and name   HA)   (resid  12 and name   HN)   2.690    0.890    0.890  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.750    0.950    0.950  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   3.030    1.230    1.230  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.485    0.685    0.685  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   3.370    1.570    1.570  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   3.605    1.805    1.805  
assign (resid   6 and name   HN)   (resid  19 and name   HN)   2.765    0.965    0.965  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   3.260    1.460    1.460  
assign (resid  11 and name   HN)   (resid  13 and name   HN)   3.510    1.710    1.710  
assign (resid  10 and name   HN)   (resid  14 and name   HN)   3.570    1.770    1.770  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   3.370    1.570    1.570  
assign (resid  22 and name   HN)   (resid  23 and name   HN)   2.565    0.765    0.765  
assign (resid  10 and name   HN)   (resid  15 and name   HN)   2.830    1.030    1.030  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.410    0.610    0.610  
assign (resid  29 and name   HN)   (resid  30 and name   HN)   3.480    1.680    1.680  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   3.650    1.850    1.850  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.675    0.875    0.875  
assign (resid  22 and name  HB1)   (resid  23 and name   HN)   3.260    1.460    1.460  
assign (resid  21 and name   HA)   (resid  23 and name   HN)   2.970    1.170    1.170  
assign (resid  18 and name   HN)   (resid  21 and name   HA)   2.985    1.185    1.185  
!assign (resid   8 and name   HA)   (resid  17 and name   HN)   3.650    1.850    1.850  
assign (resid  22 and name   HA)   (resid  24 and name   HN)   3.015    1.215    1.215  
assign (resid   1 and name   HA)   (resid   2 and name   HN)   2.410    0.610    0.610  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   3.015    1.215    1.215  
assign (resid  11 and name   HN)   (resid  11 and name  HG#)   3.905    2.105    2.105  
assign (resid   9 and name   HN)   (resid   9 and name  HG#)   4.090    2.290    2.290  
assign (resid  27 and name   HN)   (resid  27 and name  HG#)   4.090    2.290    2.290  
assign (resid  27 and name  HB2)   (resid  27 and name   HE)   3.650    1.850    1.850  
assign (resid  27 and name  HB1)   (resid  27 and name   HE)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid   6 and name  HD#)   4.685    2.885    2.885  
assign (resid  16 and name   HN)   (resid  16 and name  HD#)   4.090    2.290    2.290  
assign (resid   9 and name  HG#)   (resid  10 and name   HN)   3.920    2.120    2.120  
assign (resid  11 and name  HG#)   (resid  12 and name   HN)   4.090    2.290    2.290  
assign (resid  16 and name  HD#)   (resid  17 and name   HN)   4.090    2.290    2.290  
assign (resid  16 and name  HG2)   (resid  17 and name   HN)   3.525    1.725    1.725  
assign (resid  16 and name  HG1)   (resid  17 and name   HN)   3.525    1.725    1.725  
assign (resid  27 and name  HG#)   (resid  28 and name   HN)   4.090    2.290    2.290  
assign (resid  18 and name  HB1)   (resid  24 and name   HN)   3.420    1.620    1.620  
assign (resid  18 and name  HB1)   (resid  23 and name   HN)   2.815    1.015    1.015  
assign (resid  20 and name  HG1)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid   4 and name  HB1)   (resid   6 and name  HE#)   4.715    2.915    2.915  
assign (resid   4 and name  HB1)   (resid   6 and name  HD#)   4.715    2.915    2.915  
assign (resid   4 and name  HB2)   (resid   6 and name  HD#)   4.715    2.915    2.915  
assign (resid   4 and name  HB2)   (resid   6 and name  HE#)   4.715    2.915    2.915  
assign (resid   6 and name  HE#)   (resid   8 and name   HB)   4.715    2.915    2.915  
assign (resid   6 and name  HD#)   (resid   8 and name   HB)   4.715    2.915    2.915  
assign (resid   4 and name  HG#)   (resid   6 and name  HD#)   5.160    3.360    3.360  
assign (resid   4 and name  HG#)   (resid   6 and name  HE#)   5.160    3.360    3.360  
assign (resid   8 and name   HN)   (resid  16 and name  HG2)   3.650    1.850    1.850  
assign (resid   8 and name   HN)   (resid  16 and name  HG1)   3.650    1.850    1.850  
assign (resid   8 and name   HB)   (resid  17 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name  HG#)   (resid  17 and name   HN)   4.090    2.290    2.290  
assign (resid   7 and name  HB1)   (resid  17 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid  19 and name   HB)   3.650    1.850    1.850  
assign (resid  18 and name  HB2)   (resid  24 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid  18 and name  HB1)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid  20 and name  HD#)   4.095    2.295    2.295  
assign (resid   6 and name   HN)   (resid   6 and name  HD#)   4.715    2.915    2.915  
assign (resid   6 and name   HN)   (resid   6 and name  HE#)   4.715    2.915    2.915  
assign (resid   6 and name  HD#)   (resid   7 and name   HA)   4.715    2.915    2.915  
assign (resid   5 and name  HB1)   (resid   6 and name  HE#)   4.715    2.915    2.915  
assign (resid   5 and name  HB1)   (resid   6 and name  HD#)   4.715    2.915    2.915  
assign (resid   9 and name  HG#)   (resid  15 and name   HN)   4.090    2.290    2.290  
assign (resid  10 and name  HB2)   (resid  15 and name   HN)   3.650    1.850    1.850  
assign (resid  20 and name  HG1)   (resid  23 and name   HN)   3.650    1.850    1.850  
assign (resid  10 and name  HB1)   (resid  15 and name   HN)   2.675    0.875    0.875  
assign (resid  18 and name  HB2)   (resid  23 and name   HN)   3.310    1.510    1.510  
assign (resid  20 and name  HD#)   (resid  23 and name   HN)   4.095    2.295    2.295  
assign (resid  10 and name   HN)   (resid  16 and name  HG2)   3.650    1.850    1.850  
assign (resid  10 and name   HN)   (resid  16 and name  HG1)   3.650    1.850    1.850  
assign (resid   9 and name  HG#)   (resid  14 and name   HN)   4.090    2.290    2.290  
assign (resid   8 and name   HN)   (resid   8 and name  HG*)   4.065    2.265    2.265  
assign (resid  29 and name   HN)   (resid  29 and name HG2#)   4.160    2.360    2.360  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.890    1.090    1.090  
assign (resid  17 and name   HN)   (resid  17 and name HG2#)   3.710    1.910    1.910  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   3.755    1.955    1.955  
assign (resid  12 and name   HN)   (resid  12 and name HG2#)   3.615    1.815    1.815  
assign (resid  19 and name   HN)   (resid  19 and name  HG*)   4.205    2.405    2.405  
assign (resid  17 and name HG2#)   (resid  18 and name   HN)   3.475    1.675    1.675  
assign (resid  18 and name   HN)   (resid  19 and name  HG*)   4.700    2.900    2.900  
assign (resid   2 and name  HG*)   (resid   3 and name   HN)   4.700    2.900    2.900  
assign (resid   2 and name   HN)   (resid   2 and name  HG*)   4.700    2.900    2.900  
assign (resid   8 and name  HG*)   (resid   9 and name   HN)   4.280    2.480    2.480  
assign (resid  12 and name HG2#)   (resid  13 and name   HN)   4.160    2.360    2.360  
assign (resid  15 and name  HB#)   (resid  16 and name   HN)   3.340    1.540    1.540  
assign (resid  19 and name  HG*)   (resid  21 and name   HN)   4.700    2.900    2.900  
assign (resid  29 and name HG2#)   (resid  30 and name   HN)   4.160    2.360    2.360  
assign (resid   6 and name  HE#)   (resid   8 and name  HG*)   5.765    3.965    3.965  
assign (resid   6 and name  HD#)   (resid   8 and name  HG*)   5.765    3.965    3.965  
assign (resid   6 and name  HE#)   (resid  19 and name  HG*)   5.765    3.965    3.965  
assign (resid   6 and name  HD#)   (resid  19 and name  HG*)   5.765    3.965    3.965  
assign (resid   6 and name  HD#)   (resid  17 and name HG2#)   5.225    3.425    3.425  
assign (resid   6 and name  HE#)   (resid  17 and name HG2#)   5.225    3.425    3.425  
assign (resid  11 and name   HN)   (resid  12 and name HG2#)   4.160    2.360    2.360  
assign (resid   8 and name  HG*)   (resid  19 and name   HN)   4.700    2.900    2.900  
assign (resid  17 and name HG2#)   (resid  19 and name   HN)   4.160    2.360    2.360  
assign (resid   8 and name  HG*)   (resid  17 and name   HN)   4.700    2.900    2.900  
assign (resid   6 and name   HN)   (resid  19 and name  HG*)   4.700    2.900    2.900  
assign (resid   7 and name   HN)   (resid   8 and name  HG*)   4.700    2.900    2.900  
assign (resid   8 and name   HN)   (resid  17 and name HG2#)   4.160    2.360    2.360  
assign (resid  16 and name   HN)   (resid  17 and name HG2#)   4.160    2.360    2.360  
assign (resid  10 and name   HN)   (resid  17 and name HG2#)   4.160    2.360    2.360  
assign (resid  24 and name   HN)   (resid  25 and name  HB#)   4.160    2.360    2.360  
assign (resid  22 and name HD21)   (resid  25 and name  HB#)   4.160    2.360    2.360  
assign (resid  22 and name HD22)   (resid  25 and name  HB#)   4.160    2.360    2.360  
assign (resid  14 and name   HN)   (resid  15 and name  HB#)   4.160    2.360    2.360  
assign (resid  10 and name   HA)   (resid  10 and name  HB2)   2.395    0.595    0.595  
assign (resid  13 and name   HA)   (resid  13 and name  HB2)   2.365    0.565    0.565  
assign (resid  19 and name   HA)   (resid  20 and name   HA)   2.100    0.300    0.300  
assign (resid  19 and name   HA)   (resid  20 and name  HB#)   3.520    1.720    1.720  
assign (resid  18 and name   HA)   (resid  19 and name   HB)   3.480    1.680    1.680  
assign (resid   7 and name   HA)   (resid   7 and name  HB1)   2.270    0.470    0.470  
assign (resid   7 and name   HA)   (resid   8 and name   HB)   3.525    1.725    1.725  
assign (resid   7 and name   HA)   (resid   7 and name  HB2)   2.410    0.610    0.610  
assign (resid   6 and name  HB#)   (resid   7 and name   HA)   3.360    1.560    1.560  
assign (resid  18 and name   HA)   (resid  18 and name  HB1)   2.335    0.535    0.535  
assign (resid   7 and name   HA)   (resid   8 and name   HA)   3.510    1.710    1.710  
assign (resid   7 and name   HA)   (resid  18 and name   HA)   2.115    0.315    0.315  
assign (resid  23 and name   HA)   (resid  23 and name  HB2)   2.350    0.550    0.550  
assign (resid  23 and name   HA)   (resid  23 and name  HB1)   2.335    0.535    0.535  
assign (resid   5 and name   HA)   (resid   5 and name  HB2)   2.395    0.595    0.595  
assign (resid   4 and name   HA)   (resid   5 and name  HB2)   3.215    1.415    1.415  
assign (resid   4 and name   HA)   (resid   5 and name  HB1)   3.340    1.540    1.540  
assign (resid  22 and name   HA)   (resid  22 and name  HB2)   2.410    0.610    0.610  
assign (resid  22 and name   HA)   (resid  22 and name  HB1)   2.410    0.610    0.610  
assign (resid  13 and name   HA)   (resid  13 and name  HB1)   2.365    0.565    0.565  
assign (resid  18 and name  HB2)   (resid  21 and name   HA)   3.030    1.230    1.230  
assign (resid   9 and name   HA)   (resid  16 and name   HA)   2.505    0.705    0.705  
assign (resid   3 and name   HA)   (resid   4 and name  HD2)   2.595    0.795    0.795  
assign (resid   3 and name   HA)   (resid   4 and name  HD1)   2.595    0.795    0.795  
assign (resid   3 and name   HA)   (resid   4 and name  HG#)   3.845    2.045    2.045  
assign (resid  16 and name   HA)   (resid  16 and name  HD#)   4.090    2.290    2.290  
assign (resid  16 and name   HA)   (resid  16 and name  HE#)   4.090    2.290    2.290  
assign (resid  16 and name  HB#)   (resid  16 and name  HE#)   4.530    2.730    2.730  
assign (resid  27 and name   HA)   (resid  27 and name  HD#)   4.090    2.290    2.290  
assign (resid  26 and name   HA)   (resid  27 and name  HG#)   3.935    2.135    2.135  
assign (resid   7 and name  HB1)   (resid  18 and name   HA)   3.215    1.415    1.415  
assign (resid   7 and name   HA)   (resid  18 and name  HB1)   3.230    1.430    1.430  
assign (resid   5 and name   HA)   (resid  23 and name  HB2)   3.450    1.650    1.650  
assign (resid   5 and name   HA)   (resid  23 and name  HB1)   3.650    1.850    1.850  
assign (resid   7 and name  HB2)   (resid  18 and name   HA)   3.650    1.850    1.850  
assign (resid   5 and name   HA)   (resid  20 and name  HD#)   3.425    1.625    1.625  
assign (resid  20 and name  HD#)   (resid  23 and name  HB1)   3.335    1.535    1.535  
assign (resid  20 and name  HD#)   (resid  23 and name  HB2)   4.095    2.295    2.295  
assign (resid   5 and name  HB1)   (resid  20 and name  HD#)   4.095    2.295    2.295  
assign (resid   9 and name  HG#)   (resid  16 and name   HA)   4.090    2.290    2.290  
assign (resid   9 and name   HA)   (resid  16 and name  HB#)   4.090    2.290    2.290  
assign (resid   6 and name  HB#)   (resid  19 and name   HB)   3.780    1.980    1.980  
assign (resid  18 and name  HB1)   (resid  19 and name   HB)   3.620    1.820    1.820  
assign (resid  20 and name  HG2)   (resid  23 and name  HB2)   3.650    1.850    1.850  
assign (resid  20 and name  HG1)   (resid  23 and name  HB2)   3.510    1.710    1.710  
assign (resid   7 and name  HB1)   (resid  16 and name  HB#)   4.090    2.290    2.290  
assign (resid   7 and name  HB1)   (resid  16 and name  HD#)   4.090    2.290    2.290  
assign (resid  20 and name  HG1)   (resid  23 and name  HB1)   2.920    1.120    1.120  
assign (resid  20 and name  HG2)   (resid  23 and name  HB1)   3.125    1.325    1.325  
assign (resid   9 and name  HG#)   (resid  16 and name  HE#)   4.530    2.730    2.730  
!assign (resid   7 and name   HA)   (resid  16 and name  HB#)   4.090    2.290    2.290  
!assign (resid   7 and name   HA)   (resid  16 and name  HD#)   4.090    2.290    2.290  
assign (resid   9 and name  HB2)   (resid  16 and name   HA)   3.650    1.850    1.850  
assign (resid   9 and name  HB1)   (resid  16 and name   HA)   3.650    1.850    1.850  
assign (resid  17 and name HG2#)   (resid  18 and name   HA)   4.160    2.360    2.360  
assign (resid   7 and name   HA)   (resid  17 and name HG2#)   4.160    2.360    2.360  
assign (resid   7 and name   HA)   (resid  19 and name  HG*)   4.700    2.900    2.900  
assign (resid   7 and name   HA)   (resid   8 and name  HG*)   4.700    2.900    2.900  
assign (resid   8 and name  HG*)   (resid  18 and name   HA)   4.700    2.900    2.900  
assign (resid  18 and name   HA)   (resid  19 and name  HG*)   4.700    2.900    2.900  
assign (resid  19 and name  HG*)   (resid  20 and name   HA)   3.785    1.985    1.985  
assign (resid  19 and name  HG*)   (resid  20 and name  HD#)   5.145    3.345    3.345  
assign (resid   6 and name  HB#)   (resid  19 and name  HG*)   5.015    3.215    3.215  
assign (resid   8 and name  HG*)   (resid  17 and name   HB)   4.375    2.575    2.575  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.600    0.800    0.800  
assign (resid   3 and name   HA)   (resid   4 and name  HD#)   2.310    0.510    0.510  
assign (resid  10 and name   HN)   (resid  13 and name  HB#)   3.455    1.655    1.655  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.450    0.650    0.650  
assign (resid  13 and name   HN)   (resid  13 and name  HB#)   2.295    0.495    0.495  
assign (resid  13 and name   HA)   (resid  13 and name  HB#)   2.150    0.350    0.350  
assign (resid  13 and name  HB#)   (resid  15 and name   HN)   2.825    1.025    1.025  
assign (resid  16 and name   HN)   (resid  16 and name  HG#)   3.570    1.770    1.770  
assign (resid  16 and name   HA)   (resid  16 and name  HG#)   2.730    0.930    0.930  
assign (resid  16 and name  HG#)   (resid  17 and name   HN)   3.110    1.310    1.310  
assign (resid  20 and name  HB#)   (resid  23 and name   HN)   3.165    1.365    1.365  
assign (resid  20 and name  HB#)   (resid  23 and name  HB1)   3.105    1.305    1.305  
assign (resid  22 and name   HN)   (resid  22 and name  HB#)   2.570    0.770    0.770  
assign (resid  22 and name  HB#)   (resid  23 and name   HN)   2.865    1.065    1.065  
assign (resid  27 and name   HN)   (resid  27 and name  HB#)   2.575    0.775    0.775  

!!!! DIHEDRALS

!    5 c  -81.508  123.843   11.225    8.906    0.597 0.851 25 13 Strong
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -81.5   22.4 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  123.8   20.0 2

!    6 F -110.401  133.735   12.295    7.262    0.544 0.890 25 15 Strong
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0 -110.4   24.6 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  133.7   20.0 2

!    7 c -132.570  149.658    8.120    8.509    0.528 0.907 25 15 Strong
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0 -132.6   20.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  149.7   20.0 2

!    8 V -124.045  134.727   11.386   10.842    0.462 0.867 25 15 Strong
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0 -124.0   22.8 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  134.7   21.7 2

!    9 E -101.055  132.697   22.063   13.168    0.325 0.847 25 15 Strong
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0 -101.1   44.1 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  132.7   26.3 2

!   10 D  -77.747  121.619   13.358    9.883    0.258 0.837 25 15 Strong
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -77.7   26.7 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  121.6   20.0 2

!   11 E  -69.340  -25.564    7.947   11.647    0.190 0.833 25 15 Strong
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -69.3   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -25.6   23.3 2

!   12 T  -77.073  -35.101    9.030   10.245    0.159 0.762 25 15 Strong
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -77.1   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -35.1   20.5 2

!   13 S -108.676  -22.736   14.211    9.997    0.152 0.603 25 14 Strong
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0 -108.7   28.4 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -22.7   20.0 2

!   16 K  -82.837  123.441    8.544    8.705    0.256 0.746 25 15 Strong
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -82.8   20.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  123.4   20.0 2

!   17 T -117.247  131.127   11.454    8.087    0.394 0.831 25 15 Strong
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0 -117.2   22.9 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  131.1   20.0 2

!   18 c -131.666  148.407    9.240   13.063    0.496 0.884 25 15 Strong
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0 -131.7   20.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  148.4   26.1 2

!   19 V -126.912  134.516   15.829   23.140    1.041 0.848 25 13 Strong
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0 -126.9   31.7 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  134.5   46.3 2

!   20 P  -67.762  148.551    5.064   10.870    1.085 0.828 25 13 Strong
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -67.8   20.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  148.6   21.7 2

!   21 D  -77.271  -21.904   19.782   13.560    1.128 0.834 25 13 Strong
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -77.3   39.6 2
!assign (resid   21 and name N    ) (resid   21 and name CA   )
!       (resid   21 and name C    ) (resid   22 and name N    )    1.0  -21.9   27.1 2

!   22 N   44.905   31.555   40.643   22.327    1.410 0.866 25 15 Generous
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0   44.9   50.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0   31.6   67.0 2

!   23 c  -93.261  120.776   28.033   48.978    1.825 0.884 10 14 Generous
!assign (resid   22 and name C    ) (resid   23 and name N    )
!       (resid   23 and name CA   ) (resid   23 and name C    )    1.0  -93.3   84.1 2
!assign (resid   23 and name N    ) (resid   23 and name CA   )
!       (resid   23 and name C    ) (resid   24 and name N    )    1.0  120.8  105.0 2

!   24 D  -75.926  125.110   12.474   23.098    1.251 0.791 25 13 Strong



assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0  -75.9   24.9 2

assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  125.1   46.2 2

!CHI1

assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name CB   ) (resid    5 and name SG   )    1.0  180.0   30.0 2

assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name CB   ) (resid    7 and name SG   )    1.0  -60.0   30.0 2


assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name CB   ) (resid   18 and name SG   )    1.0  -60.0   30.0 2

assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name CB   ) (resid   23 and name SG   )    1.0   60.0   30.0 2





!!Chi1
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name CB   ) (resid   10 and name CG   )    1.0  180.0   30.0 2



assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name CB   ) (resid   21 and name CG   )    1.0  180.0   30.0 2




!Based on TALOS+N

assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name CB   ) (resid    8 and name CG   )    1.0  180.0   30.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name CB   ) (resid   17 and name CG   )    1.0  -60.0   30.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name CB   ) (resid   19 and name CG   )    1.0  180.0   30.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name CB   ) (resid   22 and name CG   )    1.0  -60.0   30.0 2


!Based on NOE patterns
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0 -100.0   80.0 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -100.0   80.0 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -100.0   80.0 2
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0 -100.0   80.0 2
assign (resid   28 and name C    ) (resid   29 and name N    )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0 -100.0   80.0 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0 -100.0   80.0 2

!! H-BONDS
assign (resid    6 and name HN   ) (resid   19 and name O    )    2.30    2.30    0.00
assign (resid    6 and name N    ) (resid   19 and name O    )    3.30    3.30    0.00
assign (resid    8 and name HN   ) (resid   17 and name O    )    2.30    2.30    0.00
assign (resid    8 and name N    ) (resid   17 and name O    )    3.30    3.30    0.00
assign (resid   12 and name HN   ) (resid   10 and name OD1 or resid 10 and name OD2    )    2.30    2.30    0.00
assign (resid   12 and name N    ) (resid   10 and name OD1 or resid 10 and name OD2    )    3.30    3.30    0.00
assign (resid   14 and name HN   ) (resid   10 and name O    )    2.30    2.30    0.00
assign (resid   14 and name N    ) (resid   10 and name O    )    3.30    3.30    0.00
assign (resid   15 and name HN   ) (resid   10 and name O    )    2.30    2.30    0.00
assign (resid   15 and name N    ) (resid   10 and name O    )    3.30    3.30    0.00
assign (resid   17 and name HN   ) (resid    8 and name O    )    2.30    2.30    0.00
assign (resid   17 and name N    ) (resid    8 and name O    )    3.30    3.30    0.00
assign (resid   19 and name HN   ) (resid    6 and name O    )    2.30    2.30    0.00
assign (resid   19 and name N    ) (resid    6 and name O    )    3.30    3.30    0.00
assign (resid   23 and name HN   ) (resid   20 and name O    )    2.30    2.30    0.00
assign (resid   23 and name N    ) (resid   20 and name O    )    3.30    3.30    0.00


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           HT1      ASP   1   3.429  15.962   5.139
    2    H2   ASP   1           HT2      ASP   1   4.637  15.500   6.231
    3    H3   ASP   1           HT3      ASP   1   3.871  14.351   5.251
    4    HA   ASP   1           HA       ASP   1   5.533  16.556   4.220
    5    HB2  ASP   1           HB2      ASP   1   6.140  13.602   4.532
    6    HB3  ASP   1           HB1      ASP   1   7.094  14.700   3.552
    7    H    VAL   2           H        VAL   2   6.252  15.808   1.954
    8    HA   VAL   2           HA       VAL   2   3.940  15.334   0.367
    9    HB   VAL   2           HB       VAL   2   6.889  15.306  -0.397
   10   HG11  VAL   2          HG11      VAL   2   4.452  15.453  -2.165
   11   HG12  VAL   2          HG12      VAL   2   5.532  14.068  -2.015
   12   HG13  VAL   2          3HG1      VAL   2   6.124  15.579  -2.706
   13   HG21  VAL   2          HG21      VAL   2   6.153  17.467   0.452
   14   HG22  VAL   2          HG22      VAL   2   4.804  17.465  -0.683
   15   HG23  VAL   2          HG23      VAL   2   6.460  17.550  -1.282
   16    H    SER   3           H        SER   3   3.021  13.396   0.454
   17    HA   SER   3           HA       SER   3   4.747  11.078   0.141
   18    HB2  SER   3           HB2      SER   3   2.435  11.325   2.071
   19    HB3  SER   3           HB1      SER   3   3.398   9.868   1.795
   20    HG   SER   3           HG       SER   3   5.209  11.496   2.249
   21    HA   PRO   4           HA       PRO   4   1.784  10.700  -3.305
   22    HB2  PRO   4           HB2      PRO   4   3.709   8.478  -3.776
   23    HB3  PRO   4           HB1      PRO   4   3.092   9.675  -4.920
   24    HG2  PRO   4           HG2      PRO   4   5.563   9.868  -4.002
   25    HG3  PRO   4           HG1      PRO   4   4.563  11.325  -4.166
   26    HD2  PRO   4           HD2      PRO   4   5.254   9.764  -1.711
   27    HD3  PRO   4           HD1      PRO   4   5.148  11.523  -1.941
   28    H    CYS   5           H        CYS   5   0.114   9.280  -3.488
   29    HA   CYS   5           HA       CYS   5  -0.121   7.242  -1.438
   30    HB2  CYS   5           HB2      CYS   5  -1.989   8.848  -1.871
   31    HB3  CYS   5           HB1      CYS   5  -2.110   8.090  -3.474
   32    H    PHE   6           H        PHE   6  -0.377   5.075  -1.948
   33    HA   PHE   6           HA       PHE   6  -0.549   4.472  -4.788
   34    HB2  PHE   6           HB2      PHE   6   1.822   4.159  -3.869
   35    HB3  PHE   6           HB1      PHE   6   1.164   2.800  -2.955
   36    HD1  PHE   6           HD1      PHE   6   1.299   4.178  -6.378
   37    HD2  PHE   6           HD2      PHE   6   1.124   0.695  -3.953
   38    HE1  PHE   6           HE1      PHE   6   1.520   2.821  -8.366
   39    HE2  PHE   6           HE2      PHE   6   1.354  -0.712  -5.960
   40    HZ   PHE   6           HZ       PHE   6   1.553   0.341  -8.182
   41    H    CYS   7           H        CYS   7  -1.935   2.858  -5.283
   42    HA   CYS   7           HA       CYS   7  -3.277   1.528  -3.037
   43    HB2  CYS   7           HB2      CYS   7  -4.407   2.235  -5.732
   44    HB3  CYS   7           HB1      CYS   7  -5.258   1.418  -4.443
   45    H    VAL   8           H        VAL   8  -3.740  -0.581  -3.244
   46    HA   VAL   8           HA       VAL   8  -2.890  -2.054  -5.639
   47    HB   VAL   8           HB       VAL   8  -2.308  -3.020  -2.833
   48   HG11  VAL   8          HG11      VAL   8  -0.841  -4.664  -3.899
   49   HG12  VAL   8          HG12      VAL   8  -1.313  -4.036  -5.476
   50   HG13  VAL   8          3HG1      VAL   8  -2.519  -4.791  -4.432
   51   HG21  VAL   8          HG21      VAL   8   0.095  -2.564  -3.213
   52   HG22  VAL   8          HG22      VAL   8  -0.874  -1.090  -3.148
   53   HG23  VAL   8          HG23      VAL   8  -0.326  -1.719  -4.702
   54    H    GLU   9           H        GLU   9  -4.167  -3.926  -5.885
   55    HA   GLU   9           HA       GLU   9  -6.580  -3.922  -4.241
   56    HB2  GLU   9           HB2      GLU   9  -6.685  -3.941  -6.790
   57    HB3  GLU   9           HB1      GLU   9  -6.043  -5.575  -6.718
   58    HG2  GLU   9           HG2      GLU   9  -7.965  -6.358  -5.562
   59    HG3  GLU   9           HG1      GLU   9  -8.577  -4.719  -5.343
   60    H    ASP  10           H        ASP  10  -6.381  -5.048  -2.482
   61    HA   ASP  10           HA       ASP  10  -4.401  -7.182  -2.494
   62    HB2  ASP  10           HB2      ASP  10  -3.891  -5.337  -1.002
   63    HB3  ASP  10           HB1      ASP  10  -5.468  -5.536  -0.232
   64    H    GLU  11           H        GLU  11  -5.043  -9.125  -2.350
   65    HA   GLU  11           HA       GLU  11  -7.772  -9.816  -1.944
   66    HB2  GLU  11           HB2      GLU  11  -5.340 -11.608  -2.075
   67    HB3  GLU  11           HB1      GLU  11  -7.011 -12.138  -2.180
   68    HG2  GLU  11           HG2      GLU  11  -5.562 -10.385  -4.150
   69    HG3  GLU  11           HG1      GLU  11  -6.008 -12.076  -4.372
   70    H    THR  12           H        THR  12  -4.962  -9.577   0.102
   71    HA   THR  12           HA       THR  12  -5.918 -11.250   2.170
   72    HB   THR  12           HB       THR  12  -3.880  -9.016   2.279
   73    HG1  THR  12           HG1      THR  12  -3.879 -11.604   1.240
   74   HG21  THR  12          HG21      THR  12  -4.240 -11.493   3.996
   75   HG22  THR  12          HG22      THR  12  -4.597  -9.842   4.499
   76   HG23  THR  12          HG23      THR  12  -2.934 -10.317   4.151
   77    H    SER  13           H        SER  13  -5.981  -7.727   1.657
   78    HA   SER  13           HA       SER  13  -7.568  -7.255   3.991
   79    HB2  SER  13           HB2      SER  13  -7.157  -5.495   1.594
   80    HB3  SER  13           HB1      SER  13  -7.712  -4.967   3.185
   81    HG   SER  13           HG       SER  13  -5.186  -6.045   2.482
   82    H    GLY  14           H        GLY  14  -8.144  -8.054   0.681
   83    HA2  GLY  14           HA2      GLY  14 -10.095  -9.126  -0.017
   84    HA3  GLY  14           HA1      GLY  14 -10.975  -8.362   1.305
   85    H    ALA  15           H        ALA  15  -9.004  -6.123  -0.217
   86    HA   ALA  15           HA       ALA  15 -10.699  -5.410  -2.357
   87    HB1  ALA  15           HB1      ALA  15 -11.624  -3.349  -1.403
   88    HB2  ALA  15           HB2      ALA  15 -10.938  -3.767   0.166
   89    HB3  ALA  15           HB3      ALA  15 -12.208  -4.771  -0.537
   90    H    LYS  16           H        LYS  16 -10.173  -3.044  -2.938
   91    HA   LYS  16           HA       LYS  16  -7.358  -2.701  -3.149
   92    HB2  LYS  16           HB2      LYS  16  -8.997  -1.893  -4.846
   93    HB3  LYS  16           HB1      LYS  16  -9.584  -0.736  -3.662
   94    HG2  LYS  16           HG2      LYS  16  -7.299   0.272  -3.610
   95    HG3  LYS  16           HG1      LYS  16  -6.843  -0.813  -4.918
   96    HD2  LYS  16           HD2      LYS  16  -7.426   1.331  -5.874
   97    HD3  LYS  16           HD1      LYS  16  -8.672   0.162  -6.307
   98    HE2  LYS  16           HE2      LYS  16 -10.067   1.026  -4.423
   99    HE3  LYS  16           HE1      LYS  16  -8.825   2.231  -4.110
  100    HZ1  LYS  16           HZ1      LYS  16 -10.342   1.973  -6.643
  101    HZ2  LYS  16           HZ2      LYS  16  -9.255   3.211  -6.278
  102    HZ3  LYS  16           HZ3      LYS  16 -10.686   3.060  -5.414
  103    H    THR  17           H        THR  17  -6.072  -1.911  -1.725
  104    HA   THR  17           HA       THR  17  -7.173  -0.013   0.166
  105    HB   THR  17           HB       THR  17  -6.720  -2.161   1.327
  106    HG1  THR  17           HG1      THR  17  -6.216   0.069   2.201
  107   HG21  THR  17          HG21      THR  17  -3.851  -1.721   0.463
  108   HG22  THR  17          HG22      THR  17  -4.908  -3.019  -0.088
  109   HG23  THR  17          HG23      THR  17  -4.394  -2.957   1.598
  110    H    CYS  18           H        CYS  18  -5.665   1.588   0.828
  111    HA   CYS  18           HA       CYS  18  -3.470   1.939  -1.099
  112    HB2  CYS  18           HB2      CYS  18  -5.340   4.156  -0.242
  113    HB3  CYS  18           HB1      CYS  18  -4.065   4.233  -1.440
  114    H    VAL  19           H        VAL  19  -2.028   3.722  -0.350
  115    HA   VAL  19           HA       VAL  19  -2.132   4.244   2.529
  116    HB   VAL  19           HB       VAL  19   0.425   3.603   0.993
  117   HG11  VAL  19          HG11      VAL  19   1.519   3.675   3.178
  118   HG12  VAL  19          HG12      VAL  19  -0.008   4.144   3.922
  119   HG13  VAL  19          3HG1      VAL  19   0.776   5.222   2.765
  120   HG21  VAL  19          HG21      VAL  19   0.598   1.583   2.391
  121   HG22  VAL  19          HG22      VAL  19  -0.839   1.553   1.366
  122   HG23  VAL  19          HG23      VAL  19  -0.986   1.938   3.079
  123    HA   PRO  20           HA       PRO  20  -2.790   6.036   3.598
  124    HB2  PRO  20           HB2      PRO  20  -4.590   8.007   3.161
  125    HB3  PRO  20           HB1      PRO  20  -3.022   8.279   3.925
  126    HG2  PRO  20           HG2      PRO  20  -3.823   8.634   1.052
  127    HG3  PRO  20           HG1      PRO  20  -2.960   9.784   2.067
  128    HD2  PRO  20           HD2      PRO  20  -1.625   8.273   0.351
  129    HD3  PRO  20           HD1      PRO  20  -0.970   8.519   1.985
  130    H    ASP  21           H        ASP  21  -4.895   5.302   3.919
  131    HA   ASP  21           HA       ASP  21  -5.662   3.667   1.718
  132    HB2  ASP  21           HB2      ASP  21  -5.700   2.814   4.037
  133    HB3  ASP  21           HB1      ASP  21  -7.087   3.855   4.360
  134    H    ASN  22           H        ASN  22  -7.336   3.650   0.425
  135    HA   ASN  22           HA       ASN  22  -8.775   4.499  -0.954
  136    HB2  ASN  22           HB2      ASN  22 -10.092   5.077   1.665
  137    HB3  ASN  22           HB1      ASN  22 -10.817   5.552   0.128
  138   HD21  ASN  22          HD21      ASN  22 -11.666   3.528   2.125
  139   HD22  ASN  22          HD22      ASN  22 -11.831   2.069   1.241
  140    H    CYS  23           H        CYS  23  -6.530   6.254  -0.355
  141    HA   CYS  23           HA       CYS  23  -7.236   8.933  -0.559
  142    HB2  CYS  23           HB2      CYS  23  -4.944   9.169  -1.476
  143    HB3  CYS  23           HB1      CYS  23  -4.979   7.852  -0.330
  144    H    ASP  24           H        ASP  24  -7.413   6.333  -2.710
  145    HA   ASP  24           HA       ASP  24  -8.199   7.970  -4.993
  146    HB2  ASP  24           HB2      ASP  24  -6.541   6.226  -5.484
  147    HB3  ASP  24           HB1      ASP  24  -7.592   5.004  -4.789
  148    H    ALA  25           H        ALA  25  -9.944   8.584  -3.919
  149    HA   ALA  25           HA       ALA  25 -12.421   7.511  -4.531
  150    HB1  ALA  25           HB1      ALA  25 -13.281   6.895  -2.276
  151    HB2  ALA  25           HB2      ALA  25 -11.648   7.064  -1.628
  152    HB3  ALA  25           HB3      ALA  25 -12.004   5.795  -2.797
  153    H    SER  26           H        SER  26 -10.498   9.200  -2.317
  154    HA   SER  26           HA       SER  26 -12.327  11.474  -2.237
  155    HB2  SER  26           HB2      SER  26 -10.791  12.168  -0.371
  156    HB3  SER  26           HB1      SER  26 -11.644  10.657  -0.071
  157    HG   SER  26           HG       SER  26  -9.516  10.420   0.457
  158    H    ARG  27           H        ARG  27 -10.534  13.556  -1.874
  159    HA   ARG  27           HA       ARG  27  -9.024  13.440  -4.372
  160    HB2  ARG  27           HB2      ARG  27  -9.071  15.851  -4.437
  161    HB3  ARG  27           HB1      ARG  27 -10.698  15.239  -4.245
  162    HG2  ARG  27           HG2      ARG  27 -10.616  15.819  -1.859
  163    HG3  ARG  27           HG1      ARG  27  -8.976  16.447  -2.084
  164    HD2  ARG  27           HD2      ARG  27  -9.908  17.951  -3.849
  165    HD3  ARG  27           HD1      ARG  27 -11.510  17.424  -3.353
  166    HE   ARG  27           HE       ARG  27 -10.409  18.286  -1.058
  167   HH11  ARG  27          HH11      ARG  27 -10.858  19.718  -4.274
  168   HH12  ARG  27          HH12      ARG  27 -10.888  21.322  -3.728
  169   HH21  ARG  27          HH21      ARG  27 -10.426  20.538  -0.298
  170   HH22  ARG  27          HH22      ARG  27 -10.653  21.801  -1.406
  171    H    GLY  28           H        GLY  28  -8.320  12.582  -1.532
  172    HA2  GLY  28           HA2      GLY  28  -5.915  14.200  -1.145
  173    HA3  GLY  28           HA1      GLY  28  -6.558  13.009  -0.015
  174    H    THR  29           H        THR  29  -5.854  12.785  -3.475
  175    HA   THR  29           HA       THR  29  -4.545  10.255  -3.024
  176    HB   THR  29           HB       THR  29  -4.751  11.654  -5.690
  177    HG1  THR  29           HG1      THR  29  -6.834  10.327  -4.207
  178   HG21  THR  29          HG21      THR  29  -4.984   9.357  -6.498
  179   HG22  THR  29          HG22      THR  29  -5.015   8.762  -4.840
  180   HG23  THR  29          HG23      THR  29  -3.544   9.487  -5.484
  181    H    ASN  30           H        ASN  30  -3.696  13.338  -4.630
  182    HA   ASN  30           HA       ASN  30  -0.890  12.677  -4.186
  183    HB2  ASN  30           HB2      ASN  30  -0.315  14.306  -5.953
  184    HB3  ASN  30           HB1      ASN  30  -1.420  13.093  -6.569
  185   HD21  ASN  30          HD21      ASN  30  -0.973  16.451  -5.839
  186   HD22  ASN  30          HD22      ASN  30  -2.449  16.990  -6.538
  187    HA   PRO  31           HA       PRO  31  -0.729  16.096  -1.321
  188    HB2  PRO  31           HB2      PRO  31   2.136  16.328  -1.723
  189    HB3  PRO  31           HB1      PRO  31   1.283  15.660  -0.333
  190    HG2  PRO  31           HG2      PRO  31   2.771  14.137  -2.032
  191    HG3  PRO  31           HG1      PRO  31   1.371  13.519  -1.145
  192    HD2  PRO  31           HD2      PRO  31   1.561  14.424  -3.987
  193    HD3  PRO  31           HD1      PRO  31   0.740  13.007  -3.292
  Start of MODEL    2
    1    H1   ASP   1           HT1      ASP   1  -1.895  13.509   6.183
    2    H2   ASP   1           HT2      ASP   1  -1.739  12.989   4.582
    3    H3   ASP   1           HT3      ASP   1  -1.037  14.417   5.058
    4    HA   ASP   1           HA       ASP   1   0.496  13.299   6.490
    5    HB2  ASP   1           HB2      ASP   1  -0.860  10.811   5.417
    6    HB3  ASP   1           HB1      ASP   1   0.668  10.809   6.290
    7    H    VAL   2           H        VAL   2   2.529  12.889   5.623
    8    HA   VAL   2           HA       VAL   2   2.648  13.430   2.800
    9    HB   VAL   2           HB       VAL   2   4.923  13.117   4.789
   10   HG11  VAL   2          HG11      VAL   2   6.280  14.296   3.110
   11   HG12  VAL   2          HG12      VAL   2   4.907  14.283   2.002
   12   HG13  VAL   2          3HG1      VAL   2   5.657  12.765   2.495
   13   HG21  VAL   2          HG21      VAL   2   3.590  15.628   3.764
   14   HG22  VAL   2          HG22      VAL   2   5.018  15.574   4.798
   15   HG23  VAL   2          HG23      VAL   2   3.469  14.979   5.397
   16    H    SER   3           H        SER   3   1.981  11.600   1.850
   17    HA   SER   3           HA       SER   3   3.931   9.486   1.617
   18    HB2  SER   3           HB2      SER   3   1.065   8.920   2.439
   19    HB3  SER   3           HB1      SER   3   2.266   7.704   2.004
   20    HG   SER   3           HG       SER   3   3.207   9.396   3.866
   21    HA   PRO   4           HA       PRO   4   2.410  10.147  -2.595
   22    HB2  PRO   4           HB2      PRO   4   3.757   7.542  -3.062
   23    HB3  PRO   4           HB1      PRO   4   3.997   9.082  -3.893
   24    HG2  PRO   4           HG2      PRO   4   5.827   8.158  -2.192
   25    HG3  PRO   4           HG1      PRO   4   5.439   9.887  -2.266
   26    HD2  PRO   4           HD2      PRO   4   4.585   7.839  -0.256
   27    HD3  PRO   4           HD1      PRO   4   5.085   9.530  -0.021
   28    H    CYS   5           H        CYS   5   0.520   9.525  -3.427
   29    HA   CYS   5           HA       CYS   5  -0.951   7.467  -2.112
   30    HB2  CYS   5           HB2      CYS   5  -2.078   9.530  -2.675
   31    HB3  CYS   5           HB1      CYS   5  -1.675   9.324  -4.372
   32    H    PHE   6           H        PHE   6  -0.562   5.473  -2.577
   33    HA   PHE   6           HA       PHE   6  -0.842   4.627  -5.365
   34    HB2  PHE   6           HB2      PHE   6   0.864   2.854  -5.075
   35    HB3  PHE   6           HB1      PHE   6   1.567   4.446  -4.871
   36    HD1  PHE   6           HD1      PHE   6   2.341   5.177  -2.672
   37    HD2  PHE   6           HD2      PHE   6   0.746   1.278  -3.253
   38    HE1  PHE   6           HE1      PHE   6   3.313   4.471  -0.537
   39    HE2  PHE   6           HE2      PHE   6   1.713   0.558  -1.110
   40    HZ   PHE   6           HZ       PHE   6   3.001   2.155   0.254
   41    H    CYS   7           H        CYS   7  -1.732   2.436  -5.587
   42    HA   CYS   7           HA       CYS   7  -3.112   1.495  -3.150
   43    HB2  CYS   7           HB2      CYS   7  -4.403   1.730  -5.845
   44    HB3  CYS   7           HB1      CYS   7  -5.148   1.260  -4.336
   45    H    VAL   8           H        VAL   8  -3.426  -0.562  -2.943
   46    HA   VAL   8           HA       VAL   8  -2.516  -2.313  -5.038
   47    HB   VAL   8           HB       VAL   8  -1.708  -3.667  -3.080
   48   HG11  VAL   8          HG11      VAL   8  -0.142  -2.673  -4.716
   49   HG12  VAL   8          HG12      VAL   8   0.559  -2.535  -3.103
   50   HG13  VAL   8          3HG1      VAL   8  -0.207  -1.136  -3.856
   51   HG21  VAL   8          HG21      VAL   8  -0.837  -2.397  -1.124
   52   HG22  VAL   8          HG22      VAL   8  -2.596  -2.388  -1.251
   53   HG23  VAL   8          HG23      VAL   8  -1.671  -0.971  -1.742
   54    H    GLU   9           H        GLU   9  -3.744  -4.198  -5.152
   55    HA   GLU   9           HA       GLU   9  -6.111  -4.215  -3.454
   56    HB2  GLU   9           HB2      GLU   9  -6.530  -4.304  -5.888
   57    HB3  GLU   9           HB1      GLU   9  -5.600  -5.798  -5.978
   58    HG2  GLU   9           HG2      GLU   9  -7.181  -6.895  -4.487
   59    HG3  GLU   9           HG1      GLU   9  -8.106  -5.407  -4.352
   60    H    ASP  10           H        ASP  10  -5.804  -5.263  -1.677
   61    HA   ASP  10           HA       ASP  10  -4.109  -7.611  -1.693
   62    HB2  ASP  10           HB2      ASP  10  -3.860  -6.160   0.248
   63    HB3  ASP  10           HB1      ASP  10  -5.593  -6.287   0.564
   64    H    GLU  11           H        GLU  11  -4.912  -9.380  -2.360
   65    HA   GLU  11           HA       GLU  11  -7.693  -9.880  -2.494
   66    HB2  GLU  11           HB2      GLU  11  -5.342 -11.720  -2.906
   67    HB3  GLU  11           HB1      GLU  11  -7.008 -12.132  -3.277
   68    HG2  GLU  11           HG2      GLU  11  -7.086 -10.325  -4.927
   69    HG3  GLU  11           HG1      GLU  11  -5.418  -9.909  -4.551
   70    H    THR  12           H        THR  12  -5.308 -10.402  -0.057
   71    HA   THR  12           HA       THR  12  -6.434 -12.604   1.289
   72    HB   THR  12           HB       THR  12  -5.045 -10.344   2.717
   73    HG1  THR  12           HG1      THR  12  -3.674 -10.478   1.130
   74   HG21  THR  12          HG21      THR  12  -5.744 -12.325   4.001
   75   HG22  THR  12          HG22      THR  12  -3.985 -12.213   3.926
   76   HG23  THR  12          HG23      THR  12  -4.841 -13.361   2.897
   77    H    SER  13           H        SER  13  -6.690  -9.087   1.900
   78    HA   SER  13           HA       SER  13  -8.913  -9.377   3.680
   79    HB2  SER  13           HB2      SER  13  -7.930  -6.928   2.262
   80    HB3  SER  13           HB1      SER  13  -8.853  -6.983   3.765
   81    HG   SER  13           HG       SER  13  -6.164  -7.677   3.274
   82    H    GLY  14           H        GLY  14  -8.444  -9.073   0.286
   83    HA2  GLY  14           HA2      GLY  14  -9.942  -9.293  -1.449
   84    HA3  GLY  14           HA1      GLY  14 -11.253  -9.361  -0.277
   85    H    ALA  15           H        ALA  15  -8.947  -6.795  -0.190
   86    HA   ALA  15           HA       ALA  15 -10.794  -4.972  -1.463
   87    HB1  ALA  15           HB1      ALA  15 -10.022  -4.687   1.432
   88    HB2  ALA  15           HB2      ALA  15 -11.621  -5.118   0.827
   89    HB3  ALA  15           HB3      ALA  15 -10.947  -3.523   0.484
   90    H    LYS  16           H        LYS  16  -9.781  -3.304  -2.335
   91    HA   LYS  16           HA       LYS  16  -6.946  -3.131  -2.284
   92    HB2  LYS  16           HB2      LYS  16  -8.205  -2.700  -4.312
   93    HB3  LYS  16           HB1      LYS  16  -9.116  -1.444  -3.490
   94    HG2  LYS  16           HG2      LYS  16  -7.061  -0.123  -3.286
   95    HG3  LYS  16           HG1      LYS  16  -6.185  -1.382  -4.145
   96    HD2  LYS  16           HD2      LYS  16  -6.830   0.458  -5.654
   97    HD3  LYS  16           HD1      LYS  16  -7.565  -1.078  -6.110
   98    HE2  LYS  16           HE2      LYS  16  -9.674  -0.397  -5.072
   99    HE3  LYS  16           HE1      LYS  16  -8.938   1.113  -4.538
  100    HZ1  LYS  16           HZ1      LYS  16  -8.663   1.747  -6.824
  101    HZ2  LYS  16           HZ2      LYS  16 -10.281   1.348  -6.562
  102    HZ3  LYS  16           HZ3      LYS  16  -9.269   0.276  -7.365
  103    H    THR  17           H        THR  17  -5.701  -1.692  -1.338
  104    HA   THR  17           HA       THR  17  -6.964   0.320   0.321
  105    HB   THR  17           HB       THR  17  -4.641  -1.465   1.149
  106    HG1  THR  17           HG1      THR  17  -7.399  -1.418   1.666
  107   HG21  THR  17          HG21      THR  17  -4.871  -0.368   3.343
  108   HG22  THR  17          HG22      THR  17  -6.158   0.654   2.705
  109   HG23  THR  17          HG23      THR  17  -4.513   0.826   2.095
  110    H    CYS  18           H        CYS  18  -5.879   2.237   0.317
  111    HA   CYS  18           HA       CYS  18  -3.560   2.427  -1.445
  112    HB2  CYS  18           HB2      CYS  18  -5.537   4.583  -0.733
  113    HB3  CYS  18           HB1      CYS  18  -4.234   4.686  -1.886
  114    H    VAL  19           H        VAL  19  -2.146   4.122  -0.841
  115    HA   VAL  19           HA       VAL  19  -2.157   4.739   2.018
  116    HB   VAL  19           HB       VAL  19   0.302   4.161   0.307
  117   HG11  VAL  19          HG11      VAL  19   0.113   4.831   3.243
  118   HG12  VAL  19          HG12      VAL  19   0.737   5.887   1.978
  119   HG13  VAL  19          3HG1      VAL  19   1.588   4.394   2.380
  120   HG21  VAL  19          HG21      VAL  19  -0.888   2.107   0.890
  121   HG22  VAL  19          HG22      VAL  19  -0.872   2.569   2.592
  122   HG23  VAL  19          HG23      VAL  19   0.642   2.209   1.763
  123    HA   PRO  20           HA       PRO  20  -2.340   6.302   3.225
  124    HB2  PRO  20           HB2      PRO  20  -3.886   8.464   3.662
  125    HB3  PRO  20           HB1      PRO  20  -2.127   8.527   3.836
  126    HG2  PRO  20           HG2      PRO  20  -3.838   9.399   1.554
  127    HG3  PRO  20           HG1      PRO  20  -2.477  10.242   2.285
  128    HD2  PRO  20           HD2      PRO  20  -2.225   8.818  -0.010
  129    HD3  PRO  20           HD1      PRO  20  -0.903   8.970   1.162
  130    H    ASP  21           H        ASP  21  -4.548   6.087   4.136
  131    HA   ASP  21           HA       ASP  21  -6.153   4.425   2.631
  132    HB2  ASP  21           HB2      ASP  21  -6.188   4.415   5.065
  133    HB3  ASP  21           HB1      ASP  21  -6.850   6.046   5.056
  134    H    ASN  22           H        ASN  22  -7.574   4.709   1.153
  135    HA   ASN  22           HA       ASN  22  -8.946   5.537  -0.359
  136    HB2  ASN  22           HB2      ASN  22  -9.951   6.901   2.113
  137    HB3  ASN  22           HB1      ASN  22 -10.685   7.139   0.529
  138   HD21  ASN  22          HD21      ASN  22 -10.096   4.835   3.098
  139   HD22  ASN  22          HD22      ASN  22 -11.258   3.682   2.562
  140    H    CYS  23           H        CYS  23  -6.340   7.054  -0.092
  141    HA   CYS  23           HA       CYS  23  -6.845   9.739  -0.636
  142    HB2  CYS  23           HB2      CYS  23  -4.621   9.742  -1.792
  143    HB3  CYS  23           HB1      CYS  23  -4.587   9.032  -0.185
  144    H    ASP  24           H        ASP  24  -7.063   6.999  -2.620
  145    HA   ASP  24           HA       ASP  24  -7.685   8.690  -4.897
  146    HB2  ASP  24           HB2      ASP  24  -6.089   7.020  -5.499
  147    HB3  ASP  24           HB1      ASP  24  -7.105   5.736  -4.854
  148    H    ALA  25           H        ALA  25  -9.505   9.315  -3.847
  149    HA   ALA  25           HA       ALA  25 -11.768   7.768  -4.896
  150    HB1  ALA  25           HB1      ALA  25 -11.744   9.328  -2.292
  151    HB2  ALA  25           HB2      ALA  25 -11.804   7.572  -2.429
  152    HB3  ALA  25           HB3      ALA  25 -13.157   8.549  -3.003
  153    H    SER  26           H        SER  26  -9.859  10.115  -5.411
  154    HA   SER  26           HA       SER  26 -11.839  12.147  -6.091
  155    HB2  SER  26           HB2      SER  26  -8.933  12.568  -5.387
  156    HB3  SER  26           HB1      SER  26 -10.188  13.800  -5.552
  157    HG   SER  26           HG       SER  26 -11.052  13.209  -3.650
  158    H    ARG  27           H        ARG  27 -12.009  12.059  -8.261
  159    HA   ARG  27           HA       ARG  27  -9.619  11.508  -9.858
  160    HB2  ARG  27           HB2      ARG  27 -11.384   9.705  -9.835
  161    HB3  ARG  27           HB1      ARG  27 -12.499  10.868 -10.520
  162    HG2  ARG  27           HG2      ARG  27 -11.657   9.364 -12.211
  163    HG3  ARG  27           HG1      ARG  27 -11.106  11.011 -12.516
  164    HD2  ARG  27           HD2      ARG  27  -9.357   9.273 -12.860
  165    HD3  ARG  27           HD1      ARG  27  -8.923  10.507 -11.685
  166    HE   ARG  27           HE       ARG  27  -9.706   8.789  -9.988
  167   HH11  ARG  27          HH11      ARG  27  -8.295   7.799 -13.099
  168   HH12  ARG  27          HH12      ARG  27  -7.480   6.458 -12.461
  169   HH21  ARG  27          HH21      ARG  27  -8.556   6.915  -9.099
  170   HH22  ARG  27          HH22      ARG  27  -7.686   5.918 -10.155
  171    H    GLY  28           H        GLY  28  -9.056  13.554 -10.367
  172    HA2  GLY  28           HA2      GLY  28 -11.179  15.337 -11.343
  173    HA3  GLY  28           HA1      GLY  28  -9.662  15.885 -10.637
  174    H    THR  29           H        THR  29  -7.700  15.091 -11.810
  175    HA   THR  29           HA       THR  29  -7.925  14.532 -14.577
  176    HB   THR  29           HB       THR  29  -8.479  16.944 -14.652
  177    HG1  THR  29           HG1      THR  29  -7.386  16.509 -16.399
  178   HG21  THR  29          HG21      THR  29  -5.823  17.377 -13.273
  179   HG22  THR  29          HG22      THR  29  -7.415  17.677 -12.576
  180   HG23  THR  29          HG23      THR  29  -6.849  18.650 -13.934
  181    H    ASN  30           H        ASN  30  -5.707  14.357 -15.489
  182    HA   ASN  30           HA       ASN  30  -3.852  13.518 -13.402
  183    HB2  ASN  30           HB2      ASN  30  -4.281  11.894 -15.176
  184    HB3  ASN  30           HB1      ASN  30  -3.803  13.067 -16.395
  185   HD21  ASN  30          HD21      ASN  30  -2.167  12.431 -13.298
  186   HD22  ASN  30          HD22      ASN  30  -0.702  11.899 -14.035
  187    HA   PRO  31           HA       PRO  31  -1.796  17.440 -14.340
  188    HB2  PRO  31           HB2      PRO  31  -0.304  16.939 -11.877
  189    HB3  PRO  31           HB1      PRO  31  -1.447  18.241 -12.224
  190    HG2  PRO  31           HG2      PRO  31  -1.983  16.255 -10.469
  191    HG3  PRO  31           HG1      PRO  31  -3.243  17.032 -11.444
  192    HD2  PRO  31           HD2      PRO  31  -1.853  14.414 -11.891
  193    HD3  PRO  31           HD1      PRO  31  -3.578  14.836 -12.017
  Start of MODEL    3
    1    H1   ASP   1           HT1      ASP   1   6.877  14.416   5.240
    2    H2   ASP   1           HT2      ASP   1   6.486  13.002   4.355
    3    H3   ASP   1           HT3      ASP   1   5.645  13.386   5.744
    4    HA   ASP   1           HA       ASP   1   4.653  15.270   4.789
    5    HB2  ASP   1           HB2      ASP   1   6.676  15.748   3.276
    6    HB3  ASP   1           HB1      ASP   1   6.085  14.478   2.216
    7    H    VAL   2           H        VAL   2   3.255  14.791   2.374
    8    HA   VAL   2           HA       VAL   2   1.780  12.455   3.171
    9    HB   VAL   2           HB       VAL   2   1.335  14.344   0.833
   10   HG11  VAL   2          HG11      VAL   2   0.217  12.200   0.531
   11   HG12  VAL   2          HG12      VAL   2  -0.963  13.475   0.832
   12   HG13  VAL   2          3HG1      VAL   2  -0.532  12.352   2.121
   13   HG21  VAL   2          HG21      VAL   2   1.226  15.572   2.924
   14   HG22  VAL   2          HG22      VAL   2   0.113  14.378   3.590
   15   HG23  VAL   2          HG23      VAL   2  -0.394  15.397   2.243
   16    H    SER   3           H        SER   3   2.195  10.550   2.359
   17    HA   SER   3           HA       SER   3   4.261  10.081   0.513
   18    HB2  SER   3           HB2      SER   3   2.084   8.237   1.477
   19    HB3  SER   3           HB1      SER   3   3.639   7.766   0.790
   20    HG   SER   3           HG       SER   3   4.470   9.171   2.613
   21    HA   PRO   4           HA       PRO   4   1.972  10.137  -3.395
   22    HB2  PRO   4           HB2      PRO   4   3.678   7.762  -3.969
   23    HB3  PRO   4           HB1      PRO   4   3.436   9.225  -4.934
   24    HG2  PRO   4           HG2      PRO   4   5.712   8.859  -3.599
   25    HG3  PRO   4           HG1      PRO   4   4.953  10.459  -3.680
   26    HD2  PRO   4           HD2      PRO   4   4.975   8.485  -1.444
   27    HD3  PRO   4           HD1      PRO   4   5.096  10.259  -1.392
   28    H    CYS   5           H        CYS   5   0.081   9.134  -3.701
   29    HA   CYS   5           HA       CYS   5  -0.560   7.019  -1.895
   30    HB2  CYS   5           HB2      CYS   5  -2.216   8.808  -2.495
   31    HB3  CYS   5           HB1      CYS   5  -2.265   8.029  -4.095
   32    H    PHE   6           H        PHE   6  -0.382   4.982  -2.266
   33    HA   PHE   6           HA       PHE   6  -0.633   4.146  -5.032
   34    HB2  PHE   6           HB2      PHE   6   1.734   3.987  -3.999
   35    HB3  PHE   6           HB1      PHE   6   1.071   2.655  -3.049
   36    HD1  PHE   6           HD1      PHE   6   1.252   3.884  -6.522
   37    HD2  PHE   6           HD2      PHE   6   1.165   0.510  -3.944
   38    HE1  PHE   6           HE1      PHE   6   1.571   2.457  -8.440
   39    HE2  PHE   6           HE2      PHE   6   1.497  -0.975  -5.878
   40    HZ   PHE   6           HZ       PHE   6   1.704  -0.015  -8.144
   41    H    CYS   7           H        CYS   7  -2.122   2.672  -5.351
   42    HA   CYS   7           HA       CYS   7  -3.362   1.444  -3.003
   43    HB2  CYS   7           HB2      CYS   7  -4.590   2.129  -5.665
   44    HB3  CYS   7           HB1      CYS   7  -5.406   1.298  -4.354
   45    H    VAL   8           H        VAL   8  -3.966  -0.662  -3.154
   46    HA   VAL   8           HA       VAL   8  -3.066  -2.241  -5.434
   47    HB   VAL   8           HB       VAL   8  -2.380  -3.027  -2.598
   48   HG11  VAL   8          HG11      VAL   8  -0.868  -4.659  -3.617
   49   HG12  VAL   8          HG12      VAL   8  -1.392  -4.118  -5.211
   50   HG13  VAL   8          3HG1      VAL   8  -2.550  -4.868  -4.110
   51   HG21  VAL   8          HG21      VAL   8  -0.464  -1.749  -4.554
   52   HG22  VAL   8          HG22      VAL   8  -0.002  -2.492  -3.023
   53   HG23  VAL   8          HG23      VAL   8  -1.023  -1.053  -3.033
   54    H    GLU   9           H        GLU   9  -4.325  -4.131  -5.510
   55    HA   GLU   9           HA       GLU   9  -6.663  -4.083  -3.788
   56    HB2  GLU   9           HB2      GLU   9  -6.867  -4.508  -6.268
   57    HB3  GLU   9           HB1      GLU   9  -5.978  -6.004  -6.031
   58    HG2  GLU   9           HG2      GLU   9  -7.744  -6.847  -4.590
   59    HG3  GLU   9           HG1      GLU   9  -8.630  -5.334  -4.774
   60    H    ASP  10           H        ASP  10  -6.316  -4.922  -1.871
   61    HA   ASP  10           HA       ASP  10  -4.113  -6.673  -1.404
   62    HB2  ASP  10           HB2      ASP  10  -4.715  -4.916   0.210
   63    HB3  ASP  10           HB1      ASP  10  -6.270  -5.699   0.472
   64    H    GLU  11           H        GLU  11  -4.236  -8.680  -1.766
   65    HA   GLU  11           HA       GLU  11  -6.620 -10.087  -2.302
   66    HB2  GLU  11           HB2      GLU  11  -5.114 -12.056  -2.524
   67    HB3  GLU  11           HB1      GLU  11  -4.632 -10.618  -3.422
   68    HG2  GLU  11           HG2      GLU  11  -2.963 -10.093  -1.743
   69    HG3  GLU  11           HG1      GLU  11  -3.422 -11.527  -0.828
   70    H    THR  12           H        THR  12  -4.965  -9.514   0.602
   71    HA   THR  12           HA       THR  12  -5.895 -11.845   1.988
   72    HB   THR  12           HB       THR  12  -4.849  -9.244   3.133
   73    HG1  THR  12           HG1      THR  12  -3.035  -9.782   2.262
   74   HG21  THR  12          HG21      THR  12  -5.835 -10.806   4.773
   75   HG22  THR  12          HG22      THR  12  -4.090 -10.667   4.987
   76   HG23  THR  12          HG23      THR  12  -4.769 -12.083   4.190
   77    H    SER  13           H        SER  13  -6.804  -8.483   1.703
   78    HA   SER  13           HA       SER  13  -9.134  -8.781   3.401
   79    HB2  SER  13           HB2      SER  13  -8.289  -6.487   1.680
   80    HB3  SER  13           HB1      SER  13  -9.426  -6.426   3.028
   81    HG   SER  13           HG       SER  13  -6.666  -7.104   3.182
   82    H    GLY  14           H        GLY  14  -8.341  -8.767   0.010
   83    HA2  GLY  14           HA2      GLY  14  -9.618  -9.380  -1.801
   84    HA3  GLY  14           HA1      GLY  14 -11.007  -9.565  -0.728
   85    H    ALA  15           H        ALA  15  -9.035  -6.702  -0.761
   86    HA   ALA  15           HA       ALA  15 -10.825  -5.174  -2.372
   87    HB1  ALA  15           HB1      ALA  15 -12.134  -5.345  -0.304
   88    HB2  ALA  15           HB2      ALA  15 -11.593  -3.694  -0.599
   89    HB3  ALA  15           HB3      ALA  15 -10.774  -4.687   0.609
   90    H    LYS  16           H        LYS  16 -10.122  -2.899  -2.415
   91    HA   LYS  16           HA       LYS  16  -7.302  -2.720  -2.623
   92    HB2  LYS  16           HB2      LYS  16  -9.515  -0.730  -2.958
   93    HB3  LYS  16           HB1      LYS  16  -7.820  -0.313  -3.151
   94    HG2  LYS  16           HG2      LYS  16  -7.574  -1.578  -5.040
   95    HG3  LYS  16           HG1      LYS  16  -8.958  -2.599  -4.697
   96    HD2  LYS  16           HD2      LYS  16  -9.487  -1.068  -6.531
   97    HD3  LYS  16           HD1      LYS  16 -10.435  -0.635  -5.117
   98    HE2  LYS  16           HE2      LYS  16  -8.767   1.112  -4.578
   99    HE3  LYS  16           HE1      LYS  16  -7.912   0.717  -6.067
  100    HZ1  LYS  16           HZ1      LYS  16 -10.696   1.699  -5.870
  101    HZ2  LYS  16           HZ2      LYS  16  -9.894   1.353  -7.316
  102    HZ3  LYS  16           HZ3      LYS  16  -9.367   2.614  -6.336
  103    H    THR  17           H        THR  17  -5.869  -1.719  -1.512
  104    HA   THR  17           HA       THR  17  -6.643  -0.235   0.861
  105    HB   THR  17           HB       THR  17  -5.741  -2.437   1.547
  106    HG1  THR  17           HG1      THR  17  -5.098  -0.325   2.592
  107   HG21  THR  17          HG21      THR  17  -3.415  -3.091   1.065
  108   HG22  THR  17          HG22      THR  17  -3.228  -1.659   0.054
  109   HG23  THR  17          HG23      THR  17  -4.350  -2.930  -0.428
  110    H    CYS  18           H        CYS  18  -5.365   1.595   1.126
  111    HA   CYS  18           HA       CYS  18  -3.432   2.127  -1.011
  112    HB2  CYS  18           HB2      CYS  18  -5.502   4.123  -0.101
  113    HB3  CYS  18           HB1      CYS  18  -4.276   4.359  -1.318
  114    H    VAL  19           H        VAL  19  -2.119   3.939  -0.537
  115    HA   VAL  19           HA       VAL  19  -1.978   4.736   2.227
  116    HB   VAL  19           HB       VAL  19  -0.451   2.868   2.112
  117   HG11  VAL  19          HG11      VAL  19   0.937   4.209  -0.196
  118   HG12  VAL  19          HG12      VAL  19  -0.039   2.744  -0.260
  119   HG13  VAL  19          3HG1      VAL  19   1.484   2.744   0.625
  120   HG21  VAL  19          HG21      VAL  19   0.287   4.699   3.508
  121   HG22  VAL  19          HG22      VAL  19   1.079   5.467   2.133
  122   HG23  VAL  19          HG23      VAL  19   1.686   3.932   2.757
  123    HA   PRO  20           HA       PRO  20  -2.420   6.510   3.157
  124    HB2  PRO  20           HB2      PRO  20  -4.086   8.594   2.876
  125    HB3  PRO  20           HB1      PRO  20  -2.415   8.767   3.425
  126    HG2  PRO  20           HG2      PRO  20  -3.570   9.154   0.684
  127    HG3  PRO  20           HG1      PRO  20  -2.457  10.216   1.544
  128    HD2  PRO  20           HD2      PRO  20  -1.583   8.512  -0.331
  129    HD3  PRO  20           HD1      PRO  20  -0.625   8.832   1.129
  130    H    ASP  21           H        ASP  21  -4.400   5.900   3.750
  131    HA   ASP  21           HA       ASP  21  -5.840   4.261   1.967
  132    HB2  ASP  21           HB2      ASP  21  -5.746   3.691   4.308
  133    HB3  ASP  21           HB1      ASP  21  -6.527   5.209   4.738
  134    H    ASN  22           H        ASN  22  -7.562   4.581   0.760
  135    HA   ASN  22           HA       ASN  22  -9.018   5.600  -0.465
  136    HB2  ASN  22           HB2      ASN  22  -9.886   6.404   2.265
  137    HB3  ASN  22           HB1      ASN  22 -10.744   6.960   0.828
  138   HD21  ASN  22          HD21      ASN  22 -11.557   5.152   2.954
  139   HD22  ASN  22          HD22      ASN  22 -12.047   3.683   2.184
  140    H    CYS  23           H        CYS  23  -6.544   6.997  -0.396
  141    HA   CYS  23           HA       CYS  23  -6.830   9.749  -0.426
  142    HB2  CYS  23           HB2      CYS  23  -4.931   9.719  -1.993
  143    HB3  CYS  23           HB1      CYS  23  -4.728   8.479  -0.767
  144    H    ASP  24           H        ASP  24  -7.808   7.373  -2.641
  145    HA   ASP  24           HA       ASP  24  -8.999   9.300  -4.486
  146    HB2  ASP  24           HB2      ASP  24  -7.467   7.670  -5.539
  147    HB3  ASP  24           HB1      ASP  24  -8.390   6.344  -4.862
  148    H    ALA  25           H        ALA  25 -10.622   9.671  -2.974
  149    HA   ALA  25           HA       ALA  25 -12.587   7.482  -2.809
  150    HB1  ALA  25           HB1      ALA  25 -13.504   8.473  -0.797
  151    HB2  ALA  25           HB2      ALA  25 -12.409   9.843  -0.943
  152    HB3  ALA  25           HB3      ALA  25 -11.765   8.236  -0.610
  153    H    SER  26           H        SER  26 -12.005  10.327  -4.355
  154    HA   SER  26           HA       SER  26 -14.808  10.515  -5.101
  155    HB2  SER  26           HB2      SER  26 -12.988  12.875  -4.543
  156    HB3  SER  26           HB1      SER  26 -14.636  12.970  -5.168
  157    HG   SER  26           HG       SER  26 -13.748  12.084  -2.647
  158    H    ARG  27           H        ARG  27 -15.114  10.878  -7.274
  159    HA   ARG  27           HA       ARG  27 -12.746  10.485  -8.891
  160    HB2  ARG  27           HB2      ARG  27 -14.739   9.048  -9.244
  161    HB3  ARG  27           HB1      ARG  27 -15.657  10.479  -9.689
  162    HG2  ARG  27           HG2      ARG  27 -14.934   9.182 -11.652
  163    HG3  ARG  27           HG1      ARG  27 -14.262  10.816 -11.630
  164    HD2  ARG  27           HD2      ARG  27 -12.624   9.040 -12.279
  165    HD3  ARG  27           HD1      ARG  27 -12.130  10.009 -10.890
  166    HE   ARG  27           HE       ARG  27 -13.403   7.378 -10.612
  167   HH11  ARG  27          HH11      ARG  27 -10.690   9.568  -9.853
  168   HH12  ARG  27          HH12      ARG  27 -10.093   8.559  -8.615
  169   HH21  ARG  27          HH21      ARG  27 -12.510   6.043  -8.903
  170   HH22  ARG  27          HH22      ARG  27 -11.102   6.572  -8.073
  171    H    GLY  28           H        GLY  28 -11.732  12.239  -9.412
  172    HA2  GLY  28           HA2      GLY  28 -12.756  14.833  -9.499
  173    HA3  GLY  28           HA1      GLY  28 -11.256  14.297 -10.250
  174    H    THR  29           H        THR  29 -13.672  16.009 -11.035
  175    HA   THR  29           HA       THR  29 -14.854  14.635 -13.212
  176    HB   THR  29           HB       THR  29 -14.825  17.614 -12.671
  177    HG1  THR  29           HG1      THR  29 -16.288  15.440 -11.601
  178   HG21  THR  29          HG21      THR  29 -15.717  16.875 -14.862
  179   HG22  THR  29          HG22      THR  29 -16.963  17.560 -13.822
  180   HG23  THR  29          HG23      THR  29 -16.845  15.811 -14.020
  181    H    ASN  30           H        ASN  30 -12.063  16.678 -12.805
  182    HA   ASN  30           HA       ASN  30 -11.664  16.718 -15.696
  183    HB2  ASN  30           HB2      ASN  30 -10.244  18.231 -13.494
  184    HB3  ASN  30           HB1      ASN  30  -9.776  18.288 -15.187
  185   HD21  ASN  30          HD21      ASN  30 -10.634  20.443 -13.500
  186   HD22  ASN  30          HD22      ASN  30 -12.035  21.132 -14.236
  187    HA   PRO  31           HA       PRO  31  -8.743  13.444 -14.726
  188    HB2  PRO  31           HB2      PRO  31  -8.805  12.523 -17.400
  189    HB3  PRO  31           HB1      PRO  31  -9.697  11.859 -16.033
  190    HG2  PRO  31           HG2      PRO  31 -10.802  13.163 -18.250
  191    HG3  PRO  31           HG1      PRO  31 -11.635  12.807 -16.729
  192    HD2  PRO  31           HD2      PRO  31 -10.404  15.346 -17.677
  193    HD3  PRO  31           HD1      PRO  31 -11.829  15.068 -16.644
  Start of MODEL    4
    1    H1   ASP   1           HT1      ASP   1   6.202   9.047   8.109
    2    H2   ASP   1           HT2      ASP   1   6.939   7.579   8.526
    3    H3   ASP   1           HT3      ASP   1   5.429   7.606   7.735
    4    HA   ASP   1           HA       ASP   1   7.908   8.653   6.569
    5    HB2  ASP   1           HB2      ASP   1   6.459   6.041   6.037
    6    HB3  ASP   1           HB1      ASP   1   7.769   6.679   5.054
    7    H    VAL   2           H        VAL   2   7.573   9.029   4.243
    8    HA   VAL   2           HA       VAL   2   4.968  10.157   3.833
    9    HB   VAL   2           HB       VAL   2   5.846  10.990   1.680
   10   HG11  VAL   2          HG11      VAL   2   7.479  12.556   2.626
   11   HG12  VAL   2          HG12      VAL   2   7.576  11.547   4.073
   12   HG13  VAL   2          3HG1      VAL   2   6.063  12.344   3.651
   13   HG21  VAL   2          HG21      VAL   2   8.430   9.659   2.515
   14   HG22  VAL   2          HG22      VAL   2   8.227  10.735   1.133
   15   HG23  VAL   2          HG23      VAL   2   7.405   9.178   1.166
   16    H    SER   3           H        SER   3   3.517   9.575   2.229
   17    HA   SER   3           HA       SER   3   4.056   7.106   0.829
   18    HB2  SER   3           HB2      SER   3   1.656   7.597   2.595
   19    HB3  SER   3           HB1      SER   3   1.829   6.242   1.475
   20    HG   SER   3           HG       SER   3   3.824   5.814   2.614
   21    HA   PRO   4           HA       PRO   4   2.115   9.782  -2.328
   22    HB2  PRO   4           HB2      PRO   4   3.079   7.460  -3.910
   23    HB3  PRO   4           HB1      PRO   4   3.327   9.174  -4.231
   24    HG2  PRO   4           HG2      PRO   4   5.335   7.678  -3.367
   25    HG3  PRO   4           HG1      PRO   4   5.107   9.317  -2.726
   26    HD2  PRO   4           HD2      PRO   4   4.402   6.685  -1.482
   27    HD3  PRO   4           HD1      PRO   4   5.149   8.121  -0.742
   28    H    CYS   5           H        CYS   5   0.100   9.385  -3.285
   29    HA   CYS   5           HA       CYS   5  -1.506   7.379  -2.174
   30    HB2  CYS   5           HB2      CYS   5  -2.367   9.527  -3.171
   31    HB3  CYS   5           HB1      CYS   5  -1.989   8.806  -4.750
   32    H    PHE   6           H        PHE   6  -1.171   5.307  -2.522
   33    HA   PHE   6           HA       PHE   6  -1.117   4.439  -5.301
   34    HB2  PHE   6           HB2      PHE   6   1.190   4.417  -4.168
   35    HB3  PHE   6           HB1      PHE   6   0.555   3.096  -3.188
   36    HD1  PHE   6           HD1      PHE   6   1.115   4.196  -6.640
   37    HD2  PHE   6           HD2      PHE   6   0.537   0.906  -4.021
   38    HE1  PHE   6           HE1      PHE   6   1.628   2.707  -8.461
   39    HE2  PHE   6           HE2      PHE   6   1.053  -0.645  -5.840
   40    HZ   PHE   6           HZ       PHE   6   1.609   0.235  -8.093
   41    H    CYS   7           H        CYS   7  -2.332   2.608  -5.667
   42    HA   CYS   7           HA       CYS   7  -3.635   1.431  -3.317
   43    HB2  CYS   7           HB2      CYS   7  -4.894   1.873  -6.025
   44    HB3  CYS   7           HB1      CYS   7  -5.678   1.237  -4.590
   45    H    VAL   8           H        VAL   8  -4.087  -0.789  -3.455
   46    HA   VAL   8           HA       VAL   8  -3.145  -2.263  -5.723
   47    HB   VAL   8           HB       VAL   8  -1.140  -1.953  -4.473
   48   HG11  VAL   8          HG11      VAL   8  -2.534  -3.260  -2.131
   49   HG12  VAL   8          HG12      VAL   8  -1.978  -1.590  -2.228
   50   HG13  VAL   8          3HG1      VAL   8  -0.806  -2.907  -2.191
   51   HG21  VAL   8          HG21      VAL   8  -2.114  -4.796  -4.263
   52   HG22  VAL   8          HG22      VAL   8  -0.424  -4.312  -4.122
   53   HG23  VAL   8          HG23      VAL   8  -1.292  -4.049  -5.633
   54    H    GLU   9           H        GLU   9  -3.794  -4.381  -5.590
   55    HA   GLU   9           HA       GLU   9  -6.260  -4.648  -4.066
   56    HB2  GLU   9           HB2      GLU   9  -6.178  -5.222  -6.521
   57    HB3  GLU   9           HB1      GLU   9  -5.166  -6.597  -6.098
   58    HG2  GLU   9           HG2      GLU   9  -6.908  -7.586  -4.831
   59    HG3  GLU   9           HG1      GLU   9  -7.917  -6.148  -4.981
   60    H    ASP  10           H        ASP  10  -6.077  -5.300  -2.115
   61    HA   ASP  10           HA       ASP  10  -3.839  -6.952  -1.281
   62    HB2  ASP  10           HB2      ASP  10  -4.393  -4.913  -0.002
   63    HB3  ASP  10           HB1      ASP  10  -5.996  -5.572   0.307
   64    H    GLU  11           H        GLU  11  -4.013  -8.952  -1.127
   65    HA   GLU  11           HA       GLU  11  -6.414 -10.377  -1.554
   66    HB2  GLU  11           HB2      GLU  11  -3.661 -11.253  -0.784
   67    HB3  GLU  11           HB1      GLU  11  -4.987 -12.390  -0.967
   68    HG2  GLU  11           HG2      GLU  11  -3.909 -10.548  -3.076
   69    HG3  GLU  11           HG1      GLU  11  -3.679 -12.298  -2.987
   70    H    THR  12           H        THR  12  -5.043  -9.163   1.335
   71    HA   THR  12           HA       THR  12  -6.219 -11.203   2.977
   72    HB   THR  12           HB       THR  12  -5.158  -8.466   3.781
   73    HG1  THR  12           HG1      THR  12  -3.501  -9.686   2.965
   74   HG21  THR  12          HG21      THR  12  -5.720 -10.915   5.464
   75   HG22  THR  12          HG22      THR  12  -6.683  -9.439   5.455
   76   HG23  THR  12          HG23      THR  12  -5.021  -9.403   6.044
   77    H    SER  13           H        SER  13  -6.950  -7.815   2.193
   78    HA   SER  13           HA       SER  13  -9.564  -8.092   3.396
   79    HB2  SER  13           HB2      SER  13  -8.280  -5.814   1.942
   80    HB3  SER  13           HB1      SER  13  -9.849  -5.721   2.752
   81    HG   SER  13           HG       SER  13  -8.896  -5.522   4.553
   82    H    GLY  14           H        GLY  14  -8.244  -8.657   0.333
   83    HA2  GLY  14           HA2      GLY  14  -9.196  -9.563  -1.537
   84    HA3  GLY  14           HA1      GLY  14 -10.733  -9.613  -0.692
   85    H    ALA  15           H        ALA  15  -8.899  -6.710  -1.051
   86    HA   ALA  15           HA       ALA  15 -10.446  -5.710  -3.265
   87    HB1  ALA  15           HB1      ALA  15 -12.076  -5.464  -1.444
   88    HB2  ALA  15           HB2      ALA  15 -11.531  -3.890  -2.025
   89    HB3  ALA  15           HB3      ALA  15 -10.898  -4.539  -0.513
   90    H    LYS  16           H        LYS  16  -9.881  -3.427  -3.707
   91    HA   LYS  16           HA       LYS  16  -7.069  -3.075  -3.330
   92    HB2  LYS  16           HB2      LYS  16  -9.116  -1.462  -4.839
   93    HB3  LYS  16           HB1      LYS  16  -7.436  -0.967  -4.679
   94    HG2  LYS  16           HG2      LYS  16  -6.680  -2.909  -5.809
   95    HG3  LYS  16           HG1      LYS  16  -8.293  -3.594  -5.854
   96    HD2  LYS  16           HD2      LYS  16  -9.008  -1.688  -7.276
   97    HD3  LYS  16           HD1      LYS  16  -7.360  -1.062  -7.224
   98    HE2  LYS  16           HE2      LYS  16  -7.681  -2.229  -9.306
   99    HE3  LYS  16           HE1      LYS  16  -6.583  -3.156  -8.296
  100    HZ1  LYS  16           HZ1      LYS  16  -8.260  -4.485  -9.454
  101    HZ2  LYS  16           HZ2      LYS  16  -9.484  -3.762  -8.553
  102    HZ3  LYS  16           HZ3      LYS  16  -8.335  -4.724  -7.803
  103    H    THR  17           H        THR  17  -6.073  -1.959  -1.988
  104    HA   THR  17           HA       THR  17  -7.562  -0.123  -0.269
  105    HB   THR  17           HB       THR  17  -5.184  -1.857   0.486
  106    HG1  THR  17           HG1      THR  17  -7.308  -2.901  -0.086
  107   HG21  THR  17          HG21      THR  17  -5.551   0.159   1.859
  108   HG22  THR  17          HG22      THR  17  -5.873  -1.313   2.777
  109   HG23  THR  17          HG23      THR  17  -7.215  -0.350   2.152
  110    H    CYS  18           H        CYS  18  -6.310   1.804   0.252
  111    HA   CYS  18           HA       CYS  18  -4.010   2.120  -1.510
  112    HB2  CYS  18           HB2      CYS  18  -5.874   4.305  -0.654
  113    HB3  CYS  18           HB1      CYS  18  -4.593   4.391  -1.831
  114    H    VAL  19           H        VAL  19  -2.512   3.578  -0.850
  115    HA   VAL  19           HA       VAL  19  -2.333   4.105   2.029
  116    HB   VAL  19           HB       VAL  19   0.013   3.295   0.261
  117   HG11  VAL  19          HG11      VAL  19   1.274   3.122   2.345
  118   HG12  VAL  19          HG12      VAL  19  -0.153   3.615   3.251
  119   HG13  VAL  19          3HG1      VAL  19   0.608   4.744   2.133
  120   HG21  VAL  19          HG21      VAL  19  -1.407   1.601   2.324
  121   HG22  VAL  19          HG22      VAL  19   0.072   1.154   1.473
  122   HG23  VAL  19          HG23      VAL  19  -1.435   1.350   0.579
  123    HA   PRO  20           HA       PRO  20  -1.936   5.693   3.367
  124    HB2  PRO  20           HB2      PRO  20  -3.210   8.017   3.857
  125    HB3  PRO  20           HB1      PRO  20  -1.443   7.874   3.931
  126    HG2  PRO  20           HG2      PRO  20  -3.199   8.922   1.758
  127    HG3  PRO  20           HG1      PRO  20  -1.692   9.596   2.368
  128    HD2  PRO  20           HD2      PRO  20  -1.752   8.162   0.088
  129    HD3  PRO  20           HD1      PRO  20  -0.373   8.085   1.198
  130    H    ASP  21           H        ASP  21  -3.985   5.750   4.572
  131    HA   ASP  21           HA       ASP  21  -6.058   4.391   3.406
  132    HB2  ASP  21           HB2      ASP  21  -5.784   4.479   5.819
  133    HB3  ASP  21           HB1      ASP  21  -6.106   6.215   5.771
  134    H    ASN  22           H        ASN  22  -7.345   4.916   1.967
  135    HA   ASN  22           HA       ASN  22  -8.385   6.003   0.401
  136    HB2  ASN  22           HB2      ASN  22  -9.620   7.141   2.863
  137    HB3  ASN  22           HB1      ASN  22 -10.115   7.681   1.260
  138   HD21  ASN  22          HD21      ASN  22  -9.805   5.137  -0.061
  139   HD22  ASN  22          HD22      ASN  22 -11.045   4.120   0.543
  140    H    CYS  23           H        CYS  23  -6.011   6.885   0.203
  141    HA   CYS  23           HA       CYS  23  -5.999   9.725  -0.076
  142    HB2  CYS  23           HB2      CYS  23  -3.963   9.353  -1.376
  143    HB3  CYS  23           HB1      CYS  23  -3.936   8.347   0.069
  144    H    ASP  24           H        ASP  24  -7.550   7.215  -1.598
  145    HA   ASP  24           HA       ASP  24  -7.435   8.204  -4.228
  146    HB2  ASP  24           HB2      ASP  24  -8.873   6.294  -4.813
  147    HB3  ASP  24           HB1      ASP  24  -7.479   5.792  -3.880
  148    H    ALA  25           H        ALA  25  -8.156  10.150  -3.699
  149    HA   ALA  25           HA       ALA  25 -11.084  10.407  -3.808
  150    HB1  ALA  25           HB1      ALA  25 -11.069  12.237  -2.201
  151    HB2  ALA  25           HB2      ALA  25  -9.327  12.055  -2.000
  152    HB3  ALA  25           HB3      ALA  25 -10.413  10.762  -1.489
  153    H    SER  26           H        SER  26  -8.309  11.014  -5.372
  154    HA   SER  26           HA       SER  26  -9.207  13.631  -6.287
  155    HB2  SER  26           HB2      SER  26  -6.759  13.936  -6.891
  156    HB3  SER  26           HB1      SER  26  -7.164  13.937  -5.177
  157    HG   SER  26           HG       SER  26  -5.657  12.174  -6.638
  158    H    ARG  27           H        ARG  27  -9.711  10.748  -7.158
  159    HA   ARG  27           HA       ARG  27  -8.844  11.044  -9.913
  160    HB2  ARG  27           HB2      ARG  27  -9.175   8.593 -10.087
  161    HB3  ARG  27           HB1      ARG  27  -7.898   9.046  -8.969
  162    HG2  ARG  27           HG2      ARG  27  -9.423   8.646  -7.090
  163    HG3  ARG  27           HG1      ARG  27 -10.684   8.189  -8.233
  164    HD2  ARG  27           HD2      ARG  27  -9.356   6.342  -9.021
  165    HD3  ARG  27           HD1      ARG  27  -8.012   6.825  -7.988
  166    HE   ARG  27           HE       ARG  27 -10.120   6.467  -6.291
  167   HH11  ARG  27          HH11      ARG  27  -8.577   4.416  -8.711
  168   HH12  ARG  27          HH12      ARG  27  -8.701   2.986  -7.810
  169   HH21  ARG  27          HH21      ARG  27 -10.279   4.458  -4.996
  170   HH22  ARG  27          HH22      ARG  27  -9.729   3.005  -5.682
  171    H    GLY  28           H        GLY  28 -10.338  10.218 -11.412
  172    HA2  GLY  28           HA2      GLY  28 -12.760   9.510 -11.682
  173    HA3  GLY  28           HA1      GLY  28 -13.103  10.889 -10.638
  174    H    THR  29           H        THR  29 -12.572  13.001 -11.404
  175    HA   THR  29           HA       THR  29 -13.135  13.230 -14.202
  176    HB   THR  29           HB       THR  29 -13.041  15.706 -13.747
  177    HG1  THR  29           HG1      THR  29 -12.964  15.069 -10.994
  178   HG21  THR  29          HG21      THR  29 -15.150  14.488 -13.603
  179   HG22  THR  29          HG22      THR  29 -15.080  15.733 -12.353
  180   HG23  THR  29          HG23      THR  29 -14.796  14.044 -11.936
  181    H    ASN  30           H        ASN  30 -10.397  13.855 -12.092
  182    HA   ASN  30           HA       ASN  30  -8.767  14.605 -14.376
  183    HB2  ASN  30           HB2      ASN  30  -8.092  14.510 -11.418
  184    HB3  ASN  30           HB1      ASN  30  -6.935  14.924 -12.673
  185   HD21  ASN  30          HD21      ASN  30  -9.661  15.987 -10.839
  186   HD22  ASN  30          HD22      ASN  30  -9.619  17.631 -11.364
  187    HA   PRO  31           HA       PRO  31  -7.378  10.435 -15.056
  188    HB2  PRO  31           HB2      PRO  31  -4.882  11.729 -16.014
  189    HB3  PRO  31           HB1      PRO  31  -5.952  10.604 -16.854
  190    HG2  PRO  31           HG2      PRO  31  -5.927  13.186 -17.495
  191    HG3  PRO  31           HG1      PRO  31  -7.443  12.267 -17.464
  192    HD2  PRO  31           HD2      PRO  31  -6.369  14.216 -15.464
  193    HD3  PRO  31           HD1      PRO  31  -8.029  13.973 -16.054
  Start of MODEL    5
    1    H1   ASP   1           HT1      ASP   1  -1.142  14.026   4.559
    2    H2   ASP   1           HT2      ASP   1   0.138  13.791   5.603
    3    H3   ASP   1           HT3      ASP   1  -0.425  12.519   4.630
    4    HA   ASP   1           HA       ASP   1   0.797  15.012   3.612
    5    HB2  ASP   1           HB2      ASP   1   1.904  12.190   3.651
    6    HB3  ASP   1           HB1      ASP   1   2.634  13.545   2.807
    7    H    VAL   2           H        VAL   2   0.440  15.367   1.485
    8    HA   VAL   2           HA       VAL   2  -1.267  13.483   0.167
    9    HB   VAL   2           HB       VAL   2  -1.293  15.144  -1.770
   10   HG11  VAL   2          HG11      VAL   2  -2.134  16.146   0.942
   11   HG12  VAL   2          HG12      VAL   2  -3.067  15.073  -0.102
   12   HG13  VAL   2          3HG1      VAL   2  -2.748  16.735  -0.601
   13   HG21  VAL   2          HG21      VAL   2   0.176  16.892   0.222
   14   HG22  VAL   2          HG22      VAL   2  -0.510  17.433  -1.309
   15   HG23  VAL   2          HG23      VAL   2   0.830  16.287  -1.300
   16    H    SER   3           H        SER   3   0.416  11.853   0.297
   17    HA   SER   3           HA       SER   3   2.534  11.970  -1.620
   18    HB2  SER   3           HB2      SER   3   2.741   9.522  -0.870
   19    HB3  SER   3           HB1      SER   3   2.959  10.745   0.385
   20    HG   SER   3           HG       SER   3   0.708   9.123  -0.136
   21    HA   PRO   4           HA       PRO   4   0.383  10.425  -5.224
   22    HB2  PRO   4           HB2      PRO   4   2.357   8.186  -5.304
   23    HB3  PRO   4           HB1      PRO   4   1.892   9.328  -6.571
   24    HG2  PRO   4           HG2      PRO   4   4.219   9.595  -5.318
   25    HG3  PRO   4           HG1      PRO   4   3.246  11.013  -5.751
   26    HD2  PRO   4           HD2      PRO   4   3.619   9.714  -3.089
   27    HD3  PRO   4           HD1      PRO   4   3.444  11.431  -3.500
   28    H    CYS   5           H        CYS   5  -1.421   9.280  -5.281
   29    HA   CYS   5           HA       CYS   5  -2.193   7.525  -3.199
   30    HB2  CYS   5           HB2      CYS   5  -3.737   9.011  -4.574
   31    HB3  CYS   5           HB1      CYS   5  -3.408   7.846  -5.877
   32    H    PHE   6           H        PHE   6  -1.188   5.628  -3.093
   33    HA   PHE   6           HA       PHE   6  -1.240   4.012  -5.538
   34    HB2  PHE   6           HB2      PHE   6   1.057   4.684  -4.648
   35    HB3  PHE   6           HB1      PHE   6   0.720   3.619  -3.282
   36    HD1  PHE   6           HD1      PHE   6   1.262   1.351  -3.455
   37    HD2  PHE   6           HD2      PHE   6   0.754   3.701  -6.947
   38    HE1  PHE   6           HE1      PHE   6   1.970  -0.556  -4.838
   39    HE2  PHE   6           HE2      PHE   6   1.433   1.877  -8.332
   40    HZ   PHE   6           HZ       PHE   6   2.069  -0.317  -7.298
   41    H    CYS   7           H        CYS   7  -2.268   2.095  -5.372
   42    HA   CYS   7           HA       CYS   7  -3.183   1.385  -2.689
   43    HB2  CYS   7           HB2      CYS   7  -4.618   0.928  -5.287
   44    HB3  CYS   7           HB1      CYS   7  -5.180   0.461  -3.701
   45    H    VAL   8           H        VAL   8  -3.151  -0.662  -2.121
   46    HA   VAL   8           HA       VAL   8  -1.848  -2.587  -3.937
   47    HB   VAL   8           HB       VAL   8  -1.632  -2.685  -0.948
   48   HG11  VAL   8          HG11      VAL   8   0.293  -4.168  -1.353
   49   HG12  VAL   8          HG12      VAL   8  -0.011  -4.039  -3.084
   50   HG13  VAL   8          3HG1      VAL   8  -1.216  -4.778  -2.032
   51   HG21  VAL   8          HG21      VAL   8   0.670  -1.767  -1.088
   52   HG22  VAL   8          HG22      VAL   8  -0.550  -0.595  -1.586
   53   HG23  VAL   8          HG23      VAL   8   0.407  -1.439  -2.801
   54    H    GLU   9           H        GLU   9  -2.819  -4.496  -3.974
   55    HA   GLU   9           HA       GLU   9  -5.553  -4.588  -2.909
   56    HB2  GLU   9           HB2      GLU   9  -5.171  -5.011  -5.314
   57    HB3  GLU   9           HB1      GLU   9  -4.126  -6.361  -4.909
   58    HG2  GLU   9           HG2      GLU   9  -6.275  -7.200  -5.582
   59    HG3  GLU   9           HG1      GLU   9  -6.060  -7.496  -3.859
   60    H    ASP  10           H        ASP  10  -6.107  -5.901  -1.308
   61    HA   ASP  10           HA       ASP  10  -4.183  -7.947  -0.464
   62    HB2  ASP  10           HB2      ASP  10  -5.174  -6.539   1.367
   63    HB3  ASP  10           HB1      ASP  10  -6.776  -7.089   0.885
   64    H    GLU  11           H        GLU  11  -4.418  -9.682  -1.595
   65    HA   GLU  11           HA       GLU  11  -6.614 -10.158  -3.309
   66    HB2  GLU  11           HB2      GLU  11  -4.182 -10.752  -3.631
   67    HB3  GLU  11           HB1      GLU  11  -4.443 -12.077  -2.520
   68    HG2  GLU  11           HG2      GLU  11  -5.990 -13.111  -4.032
   69    HG3  GLU  11           HG1      GLU  11  -5.911 -11.713  -5.108
   70    H    THR  12           H        THR  12  -6.074 -10.957  -0.045
   71    HA   THR  12           HA       THR  12  -7.670 -13.353  -0.089
   72    HB   THR  12           HB       THR  12  -6.519 -11.851   2.271
   73    HG1  THR  12           HG1      THR  12  -5.434 -13.804   0.507
   74   HG21  THR  12          HG21      THR  12  -8.246 -13.549   2.791
   75   HG22  THR  12          HG22      THR  12  -6.656 -14.021   3.386
   76   HG23  THR  12          HG23      THR  12  -7.301 -14.756   1.916
   77    H    SER  13           H        SER  13  -7.859 -10.038   1.077
   78    HA   SER  13           HA       SER  13 -10.575 -10.399   2.062
   79    HB2  SER  13           HB2      SER  13  -8.988  -7.877   1.935
   80    HB3  SER  13           HB1      SER  13 -10.289  -8.287   3.056
   81    HG   SER  13           HG       SER  13  -7.688  -9.371   2.900
   82    H    GLY  14           H        GLY  14  -8.946  -9.211  -0.756
   83    HA2  GLY  14           HA2      GLY  14  -9.753  -8.365  -2.711
   84    HA3  GLY  14           HA1      GLY  14 -11.399  -8.552  -2.088
   85    H    ALA  15           H        ALA  15  -8.785  -6.903  -0.529
   86    HA   ALA  15           HA       ALA  15 -10.303  -4.398  -0.773
   87    HB1  ALA  15           HB1      ALA  15  -9.938  -3.886   1.561
   88    HB2  ALA  15           HB2      ALA  15  -9.055  -5.396   1.775
   89    HB3  ALA  15           HB3      ALA  15 -10.778  -5.428   1.393
   90    H    LYS  16           H        LYS  16  -9.068  -3.067  -1.880
   91    HA   LYS  16           HA       LYS  16  -6.225  -3.004  -1.679
   92    HB2  LYS  16           HB2      LYS  16  -8.248  -1.427  -3.219
   93    HB3  LYS  16           HB1      LYS  16  -6.606  -0.833  -3.077
   94    HG2  LYS  16           HG2      LYS  16  -5.766  -2.854  -4.117
   95    HG3  LYS  16           HG1      LYS  16  -7.396  -3.509  -4.222
   96    HD2  LYS  16           HD2      LYS  16  -6.527  -0.930  -5.530
   97    HD3  LYS  16           HD1      LYS  16  -6.465  -2.487  -6.344
   98    HE2  LYS  16           HE2      LYS  16  -8.965  -1.217  -5.212
   99    HE3  LYS  16           HE1      LYS  16  -8.480  -1.161  -6.900
  100    HZ1  LYS  16           HZ1      LYS  16 -10.124  -2.898  -6.434
  101    HZ2  LYS  16           HZ2      LYS  16  -9.043  -3.684  -5.415
  102    HZ3  LYS  16           HZ3      LYS  16  -8.700  -3.532  -7.053
  103    H    THR  17           H        THR  17  -5.167  -2.060  -0.188
  104    HA   THR  17           HA       THR  17  -6.349   0.168   1.266
  105    HB   THR  17           HB       THR  17  -5.266  -1.589   2.654
  106    HG1  THR  17           HG1      THR  17  -4.100  -0.292   3.924
  107   HG21  THR  17          HG21      THR  17  -2.822  -1.924   2.605
  108   HG22  THR  17          HG22      THR  17  -2.710  -0.845   1.215
  109   HG23  THR  17          HG23      THR  17  -3.566  -2.378   1.071
  110    H    CYS  18           H        CYS  18  -5.269   2.192   1.235
  111    HA   CYS  18           HA       CYS  18  -3.423   2.438  -1.026
  112    HB2  CYS  18           HB2      CYS  18  -5.665   4.321  -0.439
  113    HB3  CYS  18           HB1      CYS  18  -4.577   4.417  -1.787
  114    H    VAL  19           H        VAL  19  -2.274   4.350  -1.038
  115    HA   VAL  19           HA       VAL  19  -2.000   5.626   1.549
  116    HB   VAL  19           HB       VAL  19  -0.187   3.997   1.410
  117   HG11  VAL  19          HG11      VAL  19   0.015   3.704  -0.971
  118   HG12  VAL  19          HG12      VAL  19   1.585   4.124  -0.284
  119   HG13  VAL  19          3HG1      VAL  19   0.648   5.341  -1.149
  120   HG21  VAL  19          HG21      VAL  19   0.824   6.805   1.026
  121   HG22  VAL  19          HG22      VAL  19   1.752   5.472   1.711
  122   HG23  VAL  19          HG23      VAL  19   0.317   6.069   2.545
  123    HA   PRO  20           HA       PRO  20  -1.799   7.425   2.484
  124    HB2  PRO  20           HB2      PRO  20  -3.461   9.510   2.789
  125    HB3  PRO  20           HB1      PRO  20  -1.717   9.724   2.554
  126    HG2  PRO  20           HG2      PRO  20  -3.945   9.937   0.576
  127    HG3  PRO  20           HG1      PRO  20  -2.578  11.026   0.802
  128    HD2  PRO  20           HD2      PRO  20  -2.590   9.158  -1.151
  129    HD3  PRO  20           HD1      PRO  20  -1.104   9.634  -0.313
  130    H    ASP  21           H        ASP  21  -3.661   7.184   3.885
  131    HA   ASP  21           HA       ASP  21  -5.523   5.327   2.915
  132    HB2  ASP  21           HB2      ASP  21  -4.903   5.364   5.271
  133    HB3  ASP  21           HB1      ASP  21  -5.594   6.978   5.435
  134    H    ASN  22           H        ASN  22  -7.442   5.518   2.000
  135    HA   ASN  22           HA       ASN  22  -9.200   6.299   1.038
  136    HB2  ASN  22           HB2      ASN  22  -9.080   8.173   3.360
  137    HB3  ASN  22           HB1      ASN  22 -10.220   8.420   2.037
  138   HD21  ASN  22          HD21      ASN  22  -9.336   6.254   4.703
  139   HD22  ASN  22          HD22      ASN  22 -10.830   5.406   4.672
  140    H    CYS  23           H        CYS  23  -6.523   7.209   0.047
  141    HA   CYS  23           HA       CYS  23  -6.978   9.795  -1.002
  142    HB2  CYS  23           HB2      CYS  23  -5.145   9.270  -2.610
  143    HB3  CYS  23           HB1      CYS  23  -4.707   8.941  -0.941
  144    H    ASP  24           H        ASP  24  -8.003   6.703  -1.887
  145    HA   ASP  24           HA       ASP  24  -9.185   7.764  -4.331
  146    HB2  ASP  24           HB2      ASP  24  -7.886   5.627  -4.614
  147    HB3  ASP  24           HB1      ASP  24  -9.043   4.840  -3.540
  148    H    ALA  25           H        ALA  25 -10.603   8.901  -3.180
  149    HA   ALA  25           HA       ALA  25 -12.994   7.349  -2.572
  150    HB1  ALA  25           HB1      ALA  25 -11.991   7.860  -0.383
  151    HB2  ALA  25           HB2      ALA  25 -13.520   8.711  -0.601
  152    HB3  ALA  25           HB3      ALA  25 -11.996   9.577  -0.783
  153    H    SER  26           H        SER  26 -13.959   7.936  -4.387
  154    HA   SER  26           HA       SER  26 -14.068  10.722  -5.146
  155    HB2  SER  26           HB2      SER  26 -13.662   8.996  -6.867
  156    HB3  SER  26           HB1      SER  26 -15.211   8.258  -6.474
  157    HG   SER  26           HG       SER  26 -15.646   9.517  -8.155
  158    H    ARG  27           H        ARG  27 -15.719  11.981  -4.665
  159    HA   ARG  27           HA       ARG  27 -18.071  10.824  -3.384
  160    HB2  ARG  27           HB2      ARG  27 -18.668  13.097  -2.758
  161    HB3  ARG  27           HB1      ARG  27 -16.988  12.816  -2.341
  162    HG2  ARG  27           HG2      ARG  27 -16.263  14.061  -4.288
  163    HG3  ARG  27           HG1      ARG  27 -17.938  14.283  -4.796
  164    HD2  ARG  27           HD2      ARG  27 -17.187  16.292  -3.723
  165    HD3  ARG  27           HD1      ARG  27 -18.351  15.496  -2.674
  166    HE   ARG  27           HE       ARG  27 -15.837  14.611  -1.916
  167   HH11  ARG  27          HH11      ARG  27 -17.602  17.700  -1.966
  168   HH12  ARG  27          HH12      ARG  27 -16.796  18.336  -0.628
  169   HH21  ARG  27          HH21      ARG  27 -14.727  15.514  -0.055
  170   HH22  ARG  27          HH22      ARG  27 -15.110  17.075   0.478
  171    H    GLY  28           H        GLY  28 -16.982  11.966  -6.360
  172    HA2  GLY  28           HA2      GLY  28 -18.694  11.169  -8.106
  173    HA3  GLY  28           HA1      GLY  28 -19.682  12.427  -7.369
  174    H    THR  29           H        THR  29 -18.278  12.018 -10.046
  175    HA   THR  29           HA       THR  29 -16.507  14.290 -10.196
  176    HB   THR  29           HB       THR  29 -17.715  12.681 -12.479
  177    HG1  THR  29           HG1      THR  29 -16.491  11.436 -10.868
  178   HG21  THR  29          HG21      THR  29 -15.182  14.336 -12.299
  179   HG22  THR  29          HG22      THR  29 -16.660  14.821 -13.127
  180   HG23  THR  29          HG23      THR  29 -15.730  13.443 -13.718
  181    H    ASN  30           H        ASN  30 -17.139  16.314 -10.706
  182    HA   ASN  30           HA       ASN  30 -19.892  16.758 -11.614
  183    HB2  ASN  30           HB2      ASN  30 -20.128  18.572  -9.948
  184    HB3  ASN  30           HB1      ASN  30 -19.826  17.031  -9.153
  185   HD21  ASN  30          HD21      ASN  30 -18.625  20.205  -9.769
  186   HD22  ASN  30          HD22      ASN  30 -17.252  20.122  -8.746
  187    HA   PRO  31           HA       PRO  31 -17.810  19.806 -14.144
  188    HB2  PRO  31           HB2      PRO  31 -19.967  21.755 -13.912
  189    HB3  PRO  31           HB1      PRO  31 -19.544  20.757 -15.301
  190    HG2  PRO  31           HG2      PRO  31 -21.829  20.396 -13.875
  191    HG3  PRO  31           HG1      PRO  31 -20.988  19.075 -14.702
  192    HD2  PRO  31           HD2      PRO  31 -20.931  19.839 -11.808
  193    HD3  PRO  31           HD1      PRO  31 -21.038  18.225 -12.546
  Start of MODEL    6
    1    H1   ASP   1           HT1      ASP   1   1.899  14.748   6.751
    2    H2   ASP   1           HT2      ASP   1   2.511  14.053   8.165
    3    H3   ASP   1           HT3      ASP   1   1.674  13.111   7.023
    4    HA   ASP   1           HA       ASP   1   4.252  14.445   6.506
    5    HB2  ASP   1           HB2      ASP   1   5.195  12.198   6.460
    6    HB3  ASP   1           HB1      ASP   1   4.381  12.413   8.007
    7    H    VAL   2           H        VAL   2   5.121  13.264   4.428
    8    HA   VAL   2           HA       VAL   2   2.926  13.362   2.507
    9    HB   VAL   2           HB       VAL   2   5.923  13.462   2.011
   10   HG11  VAL   2          HG11      VAL   2   3.616  13.944   0.125
   11   HG12  VAL   2          HG12      VAL   2   4.708  12.561   0.103
   12   HG13  VAL   2          3HG1      VAL   2   5.322  14.174  -0.265
   13   HG21  VAL   2          HG21      VAL   2   3.891  15.696   1.987
   14   HG22  VAL   2          HG22      VAL   2   5.585  15.849   1.519
   15   HG23  VAL   2          HG23      VAL   2   5.160  15.459   3.187
   16    H    SER   3           H        SER   3   2.075  11.388   2.311
   17    HA   SER   3           HA       SER   3   3.865   9.084   2.221
   18    HB2  SER   3           HB2      SER   3   0.862   9.214   2.497
   19    HB3  SER   3           HB1      SER   3   1.854   7.759   2.616
   20    HG   SER   3           HG       SER   3   2.811   9.595   4.330
   21    HA   PRO   4           HA       PRO   4   3.050   8.964  -2.230
   22    HB2  PRO   4           HB2      PRO   4   3.946   6.162  -2.051
   23    HB3  PRO   4           HB1      PRO   4   4.626   7.492  -2.994
   24    HG2  PRO   4           HG2      PRO   4   5.894   6.498  -0.835
   25    HG3  PRO   4           HG1      PRO   4   5.963   8.219  -1.253
   26    HD2  PRO   4           HD2      PRO   4   4.309   6.840   0.830
   27    HD3  PRO   4           HD1      PRO   4   5.172   8.395   0.900
   28    H    CYS   5           H        CYS   5   1.198   8.474  -3.155
   29    HA   CYS   5           HA       CYS   5  -0.742   6.920  -1.713
   30    HB2  CYS   5           HB2      CYS   5  -1.510   8.987  -2.653
   31    HB3  CYS   5           HB1      CYS   5  -0.931   8.540  -4.249
   32    H    PHE   6           H        PHE   6  -0.626   4.868  -1.861
   33    HA   PHE   6           HA       PHE   6  -0.290   3.562  -4.486
   34    HB2  PHE   6           HB2      PHE   6   0.188   2.618  -1.676
   35    HB3  PHE   6           HB1      PHE   6  -0.044   1.488  -2.995
   36    HD1  PHE   6           HD1      PHE   6   2.183   3.981  -1.516
   37    HD2  PHE   6           HD2      PHE   6   1.613   1.165  -4.639
   38    HE1  PHE   6           HE1      PHE   6   4.580   4.053  -2.007
   39    HE2  PHE   6           HE2      PHE   6   3.972   1.211  -5.158
   40    HZ   PHE   6           HZ       PHE   6   5.506   2.672  -3.843
   41    H    CYS   7           H        CYS   7  -2.045   2.521  -5.286
   42    HA   CYS   7           HA       CYS   7  -3.893   1.384  -3.344
   43    HB2  CYS   7           HB2      CYS   7  -4.751   2.540  -5.967
   44    HB3  CYS   7           HB1      CYS   7  -5.773   1.718  -4.834
   45    H    VAL   8           H        VAL   8  -4.219  -0.579  -3.638
   46    HA   VAL   8           HA       VAL   8  -3.374  -1.886  -6.066
   47    HB   VAL   8           HB       VAL   8  -2.314  -3.512  -4.556
   48   HG11  VAL   8          HG11      VAL   8  -1.065  -0.750  -4.612
   49   HG12  VAL   8          HG12      VAL   8  -0.897  -1.989  -5.858
   50   HG13  VAL   8          3HG1      VAL   8  -0.171  -2.230  -4.269
   51   HG21  VAL   8          HG21      VAL   8  -2.522  -1.319  -2.511
   52   HG22  VAL   8          HG22      VAL   8  -1.498  -2.740  -2.331
   53   HG23  VAL   8          HG23      VAL   8  -3.250  -2.925  -2.433
   54    H    GLU   9           H        GLU   9  -4.364  -3.986  -6.224
   55    HA   GLU   9           HA       GLU   9  -6.788  -4.411  -4.722
   56    HB2  GLU   9           HB2      GLU   9  -6.483  -5.074  -7.134
   57    HB3  GLU   9           HB1      GLU   9  -5.249  -6.211  -6.621
   58    HG2  GLU   9           HG2      GLU   9  -7.245  -7.429  -7.045
   59    HG3  GLU   9           HG1      GLU   9  -6.977  -7.404  -5.307
   60    H    ASP  10           H        ASP  10  -6.488  -5.027  -2.620
   61    HA   ASP  10           HA       ASP  10  -4.038  -6.460  -1.988
   62    HB2  ASP  10           HB2      ASP  10  -4.253  -4.481  -0.684
   63    HB3  ASP  10           HB1      ASP  10  -5.911  -4.890  -0.246
   64    H    GLU  11           H        GLU  11  -4.057  -8.434  -1.742
   65    HA   GLU  11           HA       GLU  11  -6.346 -10.083  -1.675
   66    HB2  GLU  11           HB2      GLU  11  -4.719 -11.905  -1.452
   67    HB3  GLU  11           HB1      GLU  11  -4.259 -10.749  -2.694
   68    HG2  GLU  11           HG2      GLU  11  -2.770  -9.675  -0.934
   69    HG3  GLU  11           HG1      GLU  11  -3.062 -11.115   0.028
   70    H    THR  12           H        THR  12  -4.524  -8.574   0.813
   71    HA   THR  12           HA       THR  12  -5.070 -10.398   2.922
   72    HB   THR  12           HB       THR  12  -4.490  -7.455   3.203
   73    HG1  THR  12           HG1      THR  12  -2.841  -7.862   2.001
   74   HG21  THR  12          HG21      THR  12  -3.221  -8.196   5.171
   75   HG22  THR  12          HG22      THR  12  -3.604  -9.874   4.791
   76   HG23  THR  12          HG23      THR  12  -4.889  -8.762   5.266
   77    H    SER  13           H        SER  13  -6.432  -7.220   2.016
   78    HA   SER  13           HA       SER  13  -8.622  -7.401   3.854
   79    HB2  SER  13           HB2      SER  13  -8.276  -5.586   1.493
   80    HB3  SER  13           HB1      SER  13  -9.293  -5.297   2.906
   81    HG   SER  13           HG       SER  13  -6.482  -5.304   2.690
   82    H    GLY  14           H        GLY  14  -7.994  -8.250   0.544
   83    HA2  GLY  14           HA2      GLY  14  -9.236  -9.598  -0.855
   84    HA3  GLY  14           HA1      GLY  14 -10.567  -9.538   0.303
   85    H    ALA  15           H        ALA  15  -8.952  -6.663  -0.715
   86    HA   ALA  15           HA       ALA  15 -10.788  -5.884  -2.733
   87    HB1  ALA  15           HB1      ALA  15 -12.275  -5.633  -0.806
   88    HB2  ALA  15           HB2      ALA  15 -11.839  -4.048  -1.452
   89    HB3  ALA  15           HB3      ALA  15 -11.064  -4.648   0.013
   90    H    LYS  16           H        LYS  16 -10.353  -3.603  -3.341
   91    HA   LYS  16           HA       LYS  16  -7.622  -3.025  -3.516
   92    HB2  LYS  16           HB2      LYS  16  -9.313  -2.283  -5.175
   93    HB3  LYS  16           HB1      LYS  16  -9.977  -1.186  -3.975
   94    HG2  LYS  16           HG2      LYS  16  -7.891   0.078  -3.950
   95    HG3  LYS  16           HG1      LYS  16  -7.182  -1.044  -5.109
   96    HD2  LYS  16           HD2      LYS  16  -7.901   0.911  -6.303
   97    HD3  LYS  16           HD1      LYS  16  -8.980  -0.416  -6.720
   98    HE2  LYS  16           HE2      LYS  16 -10.286   1.580  -6.381
   99    HE3  LYS  16           HE1      LYS  16 -10.626   0.462  -5.068
  100    HZ1  LYS  16           HZ1      LYS  16  -9.115   1.783  -3.638
  101    HZ2  LYS  16           HZ2      LYS  16 -10.352   2.723  -4.292
  102    HZ3  LYS  16           HZ3      LYS  16  -8.825   2.814  -4.956
  103    H    THR  17           H        THR  17  -6.332  -2.043  -2.217
  104    HA   THR  17           HA       THR  17  -7.417  -0.498   0.027
  105    HB   THR  17           HB       THR  17  -5.019  -2.340  -0.049
  106    HG1  THR  17           HG1      THR  17  -7.081  -3.400  -0.025
  107   HG21  THR  17          HG21      THR  17  -4.925  -1.972   2.396
  108   HG22  THR  17          HG22      THR  17  -6.239  -0.794   2.262
  109   HG23  THR  17          HG23      THR  17  -4.680  -0.476   1.498
  110    H    CYS  18           H        CYS  18  -6.317   1.431   0.452
  111    HA   CYS  18           HA       CYS  18  -4.095   2.029  -1.336
  112    HB2  CYS  18           HB2      CYS  18  -6.069   4.031  -0.264
  113    HB3  CYS  18           HB1      CYS  18  -4.741   4.335  -1.338
  114    H    VAL  19           H        VAL  19  -2.667   3.516  -0.568
  115    HA   VAL  19           HA       VAL  19  -2.449   3.902   2.329
  116    HB   VAL  19           HB       VAL  19  -0.136   3.045   0.532
  117   HG11  VAL  19          HG11      VAL  19   0.575   4.552   2.291
  118   HG12  VAL  19          HG12      VAL  19   1.181   2.924   2.597
  119   HG13  VAL  19          3HG1      VAL  19  -0.201   3.535   3.504
  120   HG21  VAL  19          HG21      VAL  19  -1.590   1.133   0.980
  121   HG22  VAL  19          HG22      VAL  19  -1.506   1.462   2.711
  122   HG23  VAL  19          HG23      VAL  19  -0.058   0.960   1.839
  123    HA   PRO  20           HA       PRO  20  -2.392   5.546   3.544
  124    HB2  PRO  20           HB2      PRO  20  -3.689   7.913   3.838
  125    HB3  PRO  20           HB1      PRO  20  -1.956   7.732   4.144
  126    HG2  PRO  20           HG2      PRO  20  -3.363   8.795   1.738
  127    HG3  PRO  20           HG1      PRO  20  -1.922   9.421   2.546
  128    HD2  PRO  20           HD2      PRO  20  -1.769   7.945   0.285
  129    HD3  PRO  20           HD1      PRO  20  -0.523   7.883   1.543
  130    H    ASP  21           H        ASP  21  -4.614   5.627   4.431
  131    HA   ASP  21           HA       ASP  21  -6.397   4.127   2.955
  132    HB2  ASP  21           HB2      ASP  21  -6.421   4.317   5.426
  133    HB3  ASP  21           HB1      ASP  21  -7.014   5.968   5.231
  134    H    ASN  22           H        ASN  22  -7.501   4.615   1.281
  135    HA   ASN  22           HA       ASN  22  -8.476   5.653  -0.385
  136    HB2  ASN  22           HB2      ASN  22  -9.835   6.818   1.981
  137    HB3  ASN  22           HB1      ASN  22 -10.206   7.414   0.371
  138   HD21  ASN  22          HD21      ASN  22 -11.255   6.028  -1.098
  139   HD22  ASN  22          HD22      ASN  22 -12.006   4.567  -0.575
  140    H    CYS  23           H        CYS  23  -5.927   6.709  -0.130
  141    HA   CYS  23           HA       CYS  23  -5.998   9.498  -0.415
  142    HB2  CYS  23           HB2      CYS  23  -3.855   9.224  -1.697
  143    HB3  CYS  23           HB1      CYS  23  -3.855   8.405  -0.140
  144    H    ASP  24           H        ASP  24  -6.797   6.980  -2.513
  145    HA   ASP  24           HA       ASP  24  -7.471   8.916  -4.559
  146    HB2  ASP  24           HB2      ASP  24  -6.158   7.035  -5.422
  147    HB3  ASP  24           HB1      ASP  24  -7.351   5.899  -4.807
  148    H    ALA  25           H        ALA  25  -9.124   9.653  -3.224
  149    HA   ALA  25           HA       ALA  25 -11.589   8.068  -3.596
  150    HB1  ALA  25           HB1      ALA  25 -10.950   9.738  -1.160
  151    HB2  ALA  25           HB2      ALA  25 -11.034   7.972  -1.256
  152    HB3  ALA  25           HB3      ALA  25 -12.488   8.936  -1.482
  153    H    SER  26           H        SER  26 -10.034  10.659  -4.591
  154    HA   SER  26           HA       SER  26 -12.360  12.387  -4.715
  155    HB2  SER  26           HB2      SER  26  -9.542  12.804  -5.755
  156    HB3  SER  26           HB1      SER  26 -10.804  14.032  -5.600
  157    HG   SER  26           HG       SER  26 -10.507  12.760  -3.285
  158    H    ARG  27           H        ARG  27 -13.722  11.657  -6.185
  159    HA   ARG  27           HA       ARG  27 -14.643  11.068  -8.105
  160    HB2  ARG  27           HB2      ARG  27 -13.315  12.693  -9.312
  161    HB3  ARG  27           HB1      ARG  27 -11.924  11.624  -9.305
  162    HG2  ARG  27           HG2      ARG  27 -13.194  10.049 -10.744
  163    HG3  ARG  27           HG1      ARG  27 -14.496  11.239 -10.822
  164    HD2  ARG  27           HD2      ARG  27 -13.019  11.357 -12.773
  165    HD3  ARG  27           HD1      ARG  27 -13.002  12.850 -11.833
  166    HE   ARG  27           HE       ARG  27 -10.930  11.408 -10.832
  167   HH11  ARG  27          HH11      ARG  27 -11.777  12.473 -14.088
  168   HH12  ARG  27          HH12      ARG  27 -10.163  12.676 -14.596
  169   HH21  ARG  27          HH21      ARG  27  -8.731  11.657 -11.529
  170   HH22  ARG  27          HH22      ARG  27  -8.386  12.182 -13.114
  171    H    GLY  28           H        GLY  28 -15.183   9.100  -7.564
  172    HA2  GLY  28           HA2      GLY  28 -13.420   6.974  -8.554
  173    HA3  GLY  28           HA1      GLY  28 -14.175   6.833  -6.969
  174    H    THR  29           H        THR  29 -15.242   4.942  -7.725
  175    HA   THR  29           HA       THR  29 -17.210   5.295  -9.820
  176    HB   THR  29           HB       THR  29 -15.966   3.125  -9.617
  177    HG1  THR  29           HG1      THR  29 -18.205   3.301 -10.485
  178   HG21  THR  29          HG21      THR  29 -15.812   2.938  -7.190
  179   HG22  THR  29          HG22      THR  29 -16.618   1.515  -7.845
  180   HG23  THR  29          HG23      THR  29 -17.563   2.785  -7.070
  181    H    ASN  30           H        ASN  30 -16.972   5.529  -6.448
  182    HA   ASN  30           HA       ASN  30 -19.870   5.736  -6.245
  183    HB2  ASN  30           HB2      ASN  30 -19.076   3.972  -4.795
  184    HB3  ASN  30           HB1      ASN  30 -17.909   5.029  -4.028
  185   HD21  ASN  30          HD21      ASN  30 -18.582   6.350  -2.364
  186   HD22  ASN  30          HD22      ASN  30 -20.185   6.327  -1.746
  187    HA   PRO  31           HA       PRO  31 -18.372   9.812  -4.173
  188    HB2  PRO  31           HB2      PRO  31 -15.526  10.094  -4.823
  189    HB3  PRO  31           HB1      PRO  31 -16.316  10.244  -3.252
  190    HG2  PRO  31           HG2      PRO  31 -14.692   8.182  -3.836
  191    HG3  PRO  31           HG1      PRO  31 -16.107   7.994  -2.786
  192    HD2  PRO  31           HD2      PRO  31 -15.810   7.321  -5.691
  193    HD3  PRO  31           HD1      PRO  31 -16.536   6.362  -4.383
  Start of MODEL    7
    1    H1   ASP   1           HT1      ASP   1   0.088  16.398   4.235
    2    H2   ASP   1           HT2      ASP   1   0.615  15.502   5.577
    3    H3   ASP   1           HT3      ASP   1  -0.017  14.717   4.193
    4    HA   ASP   1           HA       ASP   1   2.426  16.349   4.222
    5    HB2  ASP   1           HB2      ASP   1   2.087  13.332   4.145
    6    HB3  ASP   1           HB1      ASP   1   3.607  14.193   3.969
    7    H    VAL   2           H        VAL   2   3.626  15.938   2.183
    8    HA   VAL   2           HA       VAL   2   1.750  15.835   0.016
    9    HB   VAL   2           HB       VAL   2   3.755  16.241  -1.501
   10   HG11  VAL   2          HG11      VAL   2   3.370  18.180   0.774
   11   HG12  VAL   2          HG12      VAL   2   2.405  18.094  -0.699
   12   HG13  VAL   2          3HG1      VAL   2   4.103  18.563  -0.782
   13   HG21  VAL   2          HG21      VAL   2   5.504  15.245  -0.072
   14   HG22  VAL   2          HG22      VAL   2   5.257  16.527   1.117
   15   HG23  VAL   2          HG23      VAL   2   5.885  16.917  -0.483
   16    H    SER   3           H        SER   3   0.948  13.860   0.108
   17    HA   SER   3           HA       SER   3   2.764  11.599  -0.330
   18    HB2  SER   3           HB2      SER   3   0.054  11.647   0.986
   19    HB3  SER   3           HB1      SER   3   1.155  10.277   0.910
   20    HG   SER   3           HG       SER   3   2.653  11.548   2.102
   21    HA   PRO   4           HA       PRO   4   0.232  11.285  -4.149
   22    HB2  PRO   4           HB2      PRO   4   2.266   9.288  -4.875
   23    HB3  PRO   4           HB1      PRO   4   1.841  10.776  -5.724
   24    HG2  PRO   4           HG2      PRO   4   4.195  10.486  -4.446
   25    HG3  PRO   4           HG1      PRO   4   3.354  12.043  -4.537
   26    HD2  PRO   4           HD2      PRO   4   3.456  10.075  -2.280
   27    HD3  PRO   4           HD1      PRO   4   3.586  11.849  -2.234
   28    H    CYS   5           H        CYS   5  -1.120   9.515  -4.777
   29    HA   CYS   5           HA       CYS   5  -1.251   7.545  -2.651
   30    HB2  CYS   5           HB2      CYS   5  -3.322   8.793  -3.103
   31    HB3  CYS   5           HB1      CYS   5  -3.349   8.130  -4.736
   32    H    PHE   6           H        PHE   6  -0.604   5.633  -2.833
   33    HA   PHE   6           HA       PHE   6  -0.755   4.306  -5.417
   34    HB2  PHE   6           HB2      PHE   6   1.254   2.911  -4.670
   35    HB3  PHE   6           HB1      PHE   6   1.593   4.571  -5.125
   36    HD1  PHE   6           HD1      PHE   6   1.352   2.209  -2.317
   37    HD2  PHE   6           HD2      PHE   6   2.458   6.126  -3.537
   38    HE1  PHE   6           HE1      PHE   6   2.540   2.538  -0.185
   39    HE2  PHE   6           HE2      PHE   6   3.643   6.458  -1.413
   40    HZ   PHE   6           HZ       PHE   6   3.683   4.663   0.265
   41    H    CYS   7           H        CYS   7  -1.404   2.134  -5.374
   42    HA   CYS   7           HA       CYS   7  -2.736   1.402  -2.859
   43    HB2  CYS   7           HB2      CYS   7  -3.880   1.310  -5.629
   44    HB3  CYS   7           HB1      CYS   7  -4.654   0.693  -4.179
   45    H    VAL   8           H        VAL   8  -3.248  -0.781  -2.632
   46    HA   VAL   8           HA       VAL   8  -2.349  -2.626  -4.645
   47    HB   VAL   8           HB       VAL   8  -0.506  -2.543  -3.241
   48   HG11  VAL   8          HG11      VAL   8  -0.565  -3.181  -0.798
   49   HG12  VAL   8          HG12      VAL   8  -2.325  -3.209  -0.905
   50   HG13  VAL   8          3HG1      VAL   8  -1.454  -1.697  -1.144
   51   HG21  VAL   8          HG21      VAL   8  -2.035  -5.085  -2.745
   52   HG22  VAL   8          HG22      VAL   8  -0.299  -4.914  -2.473
   53   HG23  VAL   8          HG23      VAL   8  -0.961  -4.725  -4.097
   54    H    GLU   9           H        GLU   9  -3.519  -4.272  -4.770
   55    HA   GLU   9           HA       GLU   9  -5.997  -4.266  -3.176
   56    HB2  GLU   9           HB2      GLU   9  -6.203  -4.210  -5.666
   57    HB3  GLU   9           HB1      GLU   9  -5.505  -5.826  -5.700
   58    HG2  GLU   9           HG2      GLU   9  -7.344  -6.704  -4.427
   59    HG3  GLU   9           HG1      GLU   9  -8.010  -5.090  -4.208
   60    H    ASP  10           H        ASP  10  -5.873  -5.289  -1.456
   61    HA   ASP  10           HA       ASP  10  -4.124  -7.509  -1.141
   62    HB2  ASP  10           HB2      ASP  10  -4.456  -6.142   0.809
   63    HB3  ASP  10           HB1      ASP  10  -6.203  -6.370   0.729
   64    H    GLU  11           H        GLU  11  -4.457  -9.335  -1.794
   65    HA   GLU  11           HA       GLU  11  -6.796 -10.389  -2.929
   66    HB2  GLU  11           HB2      GLU  11  -4.382 -11.826  -1.850
   67    HB3  GLU  11           HB1      GLU  11  -5.573 -12.493  -2.952
   68    HG2  GLU  11           HG2      GLU  11  -4.897 -11.009  -4.692
   69    HG3  GLU  11           HG1      GLU  11  -3.849 -10.116  -3.587
   70    H    THR  12           H        THR  12  -5.507 -10.472   0.322
   71    HA   THR  12           HA       THR  12  -6.911 -12.727   1.258
   72    HB   THR  12           HB       THR  12  -6.042 -10.445   2.993
   73    HG1  THR  12           HG1      THR  12  -4.216 -10.517   1.970
   74   HG21  THR  12          HG21      THR  12  -5.284 -12.293   4.440
   75   HG22  THR  12          HG22      THR  12  -5.766 -13.458   3.208
   76   HG23  THR  12          HG23      THR  12  -6.988 -12.483   4.025
   77    H    SER  13           H        SER  13  -7.410  -9.218   1.814
   78    HA   SER  13           HA       SER  13  -9.990  -9.602   2.996
   79    HB2  SER  13           HB2      SER  13  -8.705  -7.068   2.060
   80    HB3  SER  13           HB1      SER  13  -9.970  -7.229   3.281
   81    HG   SER  13           HG       SER  13  -7.248  -7.870   3.387
   82    H    GLY  14           H        GLY  14  -8.788  -9.048  -0.189
   83    HA2  GLY  14           HA2      GLY  14  -9.898  -8.915  -2.193
   84    HA3  GLY  14           HA1      GLY  14 -11.417  -9.152  -1.319
   85    H    ALA  15           H        ALA  15  -9.001  -6.765  -0.642
   86    HA   ALA  15           HA       ALA  15 -10.738  -4.617  -1.584
   87    HB1  ALA  15           HB1      ALA  15 -10.657  -3.479   0.564
   88    HB2  ALA  15           HB2      ALA  15  -9.727  -4.812   1.245
   89    HB3  ALA  15           HB3      ALA  15 -11.394  -5.074   0.740
   90    H    LYS  16           H        LYS  16  -9.618  -2.875  -2.262
   91    HA   LYS  16           HA       LYS  16  -6.728  -2.983  -2.235
   92    HB2  LYS  16           HB2      LYS  16  -7.897  -2.590  -4.367
   93    HB3  LYS  16           HB1      LYS  16  -8.668  -1.185  -3.653
   94    HG2  LYS  16           HG2      LYS  16  -6.510  -0.115  -3.418
   95    HG3  LYS  16           HG1      LYS  16  -5.737  -1.514  -4.133
   96    HD2  LYS  16           HD2      LYS  16  -6.058   0.261  -5.825
   97    HD3  LYS  16           HD1      LYS  16  -6.925  -1.211  -6.230
   98    HE2  LYS  16           HE2      LYS  16  -8.311   0.709  -6.717
   99    HE3  LYS  16           HE1      LYS  16  -9.016  -0.176  -5.383
  100    HZ1  LYS  16           HZ1      LYS  16  -9.083   2.180  -5.012
  101    HZ2  LYS  16           HZ2      LYS  16  -7.437   2.361  -5.140
  102    HZ3  LYS  16           HZ3      LYS  16  -8.120   1.487  -3.846
  103    H    THR  17           H        THR  17  -5.532  -2.103  -0.906
  104    HA   THR  17           HA       THR  17  -6.600   0.004   0.805
  105    HB   THR  17           HB       THR  17  -3.971  -1.466   1.068
  106    HG1  THR  17           HG1      THR  17  -6.565  -2.340   1.499
  107   HG21  THR  17          HG21      THR  17  -5.797  -0.137   3.084
  108   HG22  THR  17          HG22      THR  17  -4.298   0.542   2.448
  109   HG23  THR  17          HG23      THR  17  -4.254  -0.908   3.452
  110    H    CYS  18           H        CYS  18  -5.389   2.005   0.906
  111    HA   CYS  18           HA       CYS  18  -3.332   2.292  -1.136
  112    HB2  CYS  18           HB2      CYS  18  -5.578   4.231  -0.714
  113    HB3  CYS  18           HB1      CYS  18  -4.279   4.381  -1.855
  114    H    VAL  19           H        VAL  19  -2.121   4.165  -0.873
  115    HA   VAL  19           HA       VAL  19  -2.096   5.365   1.801
  116    HB   VAL  19           HB       VAL  19   0.387   4.556   0.230
  117   HG11  VAL  19          HG11      VAL  19   0.724   6.559   1.567
  118   HG12  VAL  19          HG12      VAL  19   1.631   5.206   2.243
  119   HG13  VAL  19          3HG1      VAL  19   0.125   5.723   3.000
  120   HG21  VAL  19          HG21      VAL  19   0.816   2.919   2.007
  121   HG22  VAL  19          HG22      VAL  19  -0.683   2.574   1.140
  122   HG23  VAL  19          HG23      VAL  19  -0.740   3.317   2.739
  123    HA   PRO  20           HA       PRO  20  -1.986   7.371   2.695
  124    HB2  PRO  20           HB2      PRO  20  -3.829   9.340   2.561
  125    HB3  PRO  20           HB1      PRO  20  -2.088   9.655   2.584
  126    HG2  PRO  20           HG2      PRO  20  -3.956   9.462   0.248
  127    HG3  PRO  20           HG1      PRO  20  -2.777  10.733   0.589
  128    HD2  PRO  20           HD2      PRO  20  -2.199   8.803  -1.139
  129    HD3  PRO  20           HD1      PRO  20  -0.962   9.363   0.007
  130    H    ASP  21           H        ASP  21  -3.753   6.901   3.913
  131    HA   ASP  21           HA       ASP  21  -5.394   4.835   3.120
  132    HB2  ASP  21           HB2      ASP  21  -4.849   5.402   5.478
  133    HB3  ASP  21           HB1      ASP  21  -5.951   6.773   5.343
  134    H    ASN  22           H        ASN  22  -7.033   4.756   1.867
  135    HA   ASN  22           HA       ASN  22  -8.724   5.251   0.542
  136    HB2  ASN  22           HB2      ASN  22  -9.602   6.668   3.049
  137    HB3  ASN  22           HB1      ASN  22 -10.593   6.513   1.602
  138   HD21  ASN  22          HD21      ASN  22  -9.194   4.829   4.312
  139   HD22  ASN  22          HD22      ASN  22 -10.130   3.403   4.102
  140    H    CYS  23           H        CYS  23  -6.628   6.818  -0.221
  141    HA   CYS  23           HA       CYS  23  -6.999   9.514  -0.398
  142    HB2  CYS  23           HB2      CYS  23  -5.771   9.399  -2.566
  143    HB3  CYS  23           HB1      CYS  23  -5.009   8.448  -1.294
  144    H    ASP  24           H        ASP  24  -8.516   7.095  -2.306
  145    HA   ASP  24           HA       ASP  24 -10.185   9.180  -3.494
  146    HB2  ASP  24           HB2      ASP  24  -9.914   6.296  -4.382
  147    HB3  ASP  24           HB1      ASP  24 -11.066   7.427  -5.071
  148    H    ALA  25           H        ALA  25 -11.104   9.482  -1.558
  149    HA   ALA  25           HA       ALA  25 -13.671   8.144  -1.342
  150    HB1  ALA  25           HB1      ALA  25 -11.782   8.155   1.014
  151    HB2  ALA  25           HB2      ALA  25 -12.265   6.727   0.096
  152    HB3  ALA  25           HB3      ALA  25 -13.460   7.616   1.043
  153    H    SER  26           H        SER  26 -12.342  10.807  -1.823
  154    HA   SER  26           HA       SER  26 -12.880  12.384   0.503
  155    HB2  SER  26           HB2      SER  26 -10.998  12.861  -1.037
  156    HB3  SER  26           HB1      SER  26 -12.154  13.230  -2.310
  157    HG   SER  26           HG       SER  26 -11.173  14.798  -0.472
  158    H    ARG  27           H        ARG  27 -14.696  13.439   0.938
  159    HA   ARG  27           HA       ARG  27 -16.688  13.744  -1.196
  160    HB2  ARG  27           HB2      ARG  27 -17.189  13.164   1.732
  161    HB3  ARG  27           HB1      ARG  27 -18.437  13.501   0.544
  162    HG2  ARG  27           HG2      ARG  27 -17.877  11.484  -0.671
  163    HG3  ARG  27           HG1      ARG  27 -16.538  11.170   0.435
  164    HD2  ARG  27           HD2      ARG  27 -19.455  11.284   1.196
  165    HD3  ARG  27           HD1      ARG  27 -18.524   9.808   0.956
  166    HE   ARG  27           HE       ARG  27 -17.565  11.710   2.956
  167   HH11  ARG  27          HH11      ARG  27 -19.135   8.563   2.306
  168   HH12  ARG  27          HH12      ARG  27 -19.001   8.066   3.921
  169   HH21  ARG  27          HH21      ARG  27 -17.393  10.952   5.119
  170   HH22  ARG  27          HH22      ARG  27 -18.012   9.408   5.538
  171    H    GLY  28           H        GLY  28 -16.142  15.846  -1.684
  172    HA2  GLY  28           HA2      GLY  28 -17.336  17.916  -0.405
  173    HA3  GLY  28           HA1      GLY  28 -15.748  17.807   0.353
  174    H    THR  29           H        THR  29 -14.715  19.528  -0.482
  175    HA   THR  29           HA       THR  29 -14.491  19.539  -3.392
  176    HB   THR  29           HB       THR  29 -15.748  21.521  -2.654
  177    HG1  THR  29           HG1      THR  29 -13.784  21.531  -4.260
  178   HG21  THR  29          HG21      THR  29 -14.857  21.774  -0.393
  179   HG22  THR  29          HG22      THR  29 -14.662  23.278  -1.296
  180   HG23  THR  29          HG23      THR  29 -13.279  22.210  -1.048
  181    H    ASN  30           H        ASN  30 -12.865  19.218  -0.446
  182    HA   ASN  30           HA       ASN  30 -10.284  19.715  -1.727
  183    HB2  ASN  30           HB2      ASN  30 -11.059  19.558   1.187
  184    HB3  ASN  30           HB1      ASN  30  -9.393  19.485   0.644
  185   HD21  ASN  30          HD21      ASN  30  -8.807  21.330   1.679
  186   HD22  ASN  30          HD22      ASN  30  -9.332  22.904   1.204
  187    HA   PRO  31           HA       PRO  31 -10.207  15.266  -2.247
  188    HB2  PRO  31           HB2      PRO  31  -7.327  15.801  -2.722
  189    HB3  PRO  31           HB1      PRO  31  -8.492  14.946  -3.734
  190    HG2  PRO  31           HG2      PRO  31  -7.665  17.395  -4.377
  191    HG3  PRO  31           HG1      PRO  31  -9.344  16.892  -4.641
  192    HD2  PRO  31           HD2      PRO  31  -8.195  18.638  -2.507
  193    HD3  PRO  31           HD1      PRO  31  -9.737  18.766  -3.378
  Start of MODEL    8
    1    H1   ASP   1           HT1      ASP   1  -2.415  20.368  -4.098
    2    H2   ASP   1           HT2      ASP   1  -2.183  21.054  -2.574
    3    H3   ASP   1           HT3      ASP   1  -2.872  19.519  -2.724
    4    HA   ASP   1           HA       ASP   1  -0.121  20.210  -3.514
    5    HB2  ASP   1           HB2      ASP   1  -0.436  20.175  -1.055
    6    HB3  ASP   1           HB1      ASP   1  -1.167  18.580  -1.177
    7    H    VAL   2           H        VAL   2   1.011  18.453  -4.452
    8    HA   VAL   2           HA       VAL   2  -0.761  16.411  -5.514
    9    HB   VAL   2           HB       VAL   2   2.141  16.934  -6.222
   10   HG11  VAL   2          HG11      VAL   2   0.024  15.295  -7.607
   11   HG12  VAL   2          HG12      VAL   2   1.414  14.669  -6.724
   12   HG13  VAL   2          3HG1      VAL   2   1.654  15.582  -8.214
   13   HG21  VAL   2          HG21      VAL   2   0.773  18.870  -6.782
   14   HG22  VAL   2          HG22      VAL   2  -0.363  17.830  -7.639
   15   HG23  VAL   2          HG23      VAL   2   1.282  18.025  -8.244
   16    H    SER   3           H        SER   3  -1.030  14.942  -3.999
   17    HA   SER   3           HA       SER   3   1.368  13.776  -2.790
   18    HB2  SER   3           HB2      SER   3  -1.498  13.621  -1.851
   19    HB3  SER   3           HB1      SER   3  -0.068  13.045  -0.994
   20    HG   SER   3           HG       SER   3   0.264  15.652  -1.607
   21    HA   PRO   4           HA       PRO   4   0.016  10.612  -5.834
   22    HB2  PRO   4           HB2      PRO   4   2.653   9.492  -5.083
   23    HB3  PRO   4           HB1      PRO   4   1.989   9.811  -6.684
   24    HG2  PRO   4           HG2      PRO   4   3.891  11.382  -5.700
   25    HG3  PRO   4           HG1      PRO   4   2.537  12.071  -6.613
   26    HD2  PRO   4           HD2      PRO   4   2.948  11.976  -3.640
   27    HD3  PRO   4           HD1      PRO   4   2.380  13.321  -4.655
   28    H    CYS   5           H        CYS   5  -1.174   8.977  -5.270
   29    HA   CYS   5           HA       CYS   5  -0.823   7.745  -2.645
   30    HB2  CYS   5           HB2      CYS   5  -3.087   8.670  -3.500
   31    HB3  CYS   5           HB1      CYS   5  -2.960   7.305  -4.630
   32    H    PHE   6           H        PHE   6  -0.452   5.522  -2.527
   33    HA   PHE   6           HA       PHE   6  -0.230   4.243  -5.135
   34    HB2  PHE   6           HB2      PHE   6   1.973   4.517  -3.871
   35    HB3  PHE   6           HB1      PHE   6   1.329   3.350  -2.707
   36    HD1  PHE   6           HD1      PHE   6   1.900   3.849  -6.298
   37    HD2  PHE   6           HD2      PHE   6   1.568   1.062  -3.116
   38    HE1  PHE   6           HE1      PHE   6   2.484   2.099  -7.826
   39    HE2  PHE   6           HE2      PHE   6   2.177  -0.758  -4.644
   40    HZ   PHE   6           HZ       PHE   6   2.644  -0.265  -7.021
   41    H    CYS   7           H        CYS   7  -1.519   2.564  -5.447
   42    HA   CYS   7           HA       CYS   7  -2.967   1.577  -3.101
   43    HB2  CYS   7           HB2      CYS   7  -3.893   1.808  -5.938
   44    HB3  CYS   7           HB1      CYS   7  -4.817   1.117  -4.616
   45    H    VAL   8           H        VAL   8  -3.490  -0.556  -2.993
   46    HA   VAL   8           HA       VAL   8  -2.395  -2.415  -4.968
   47    HB   VAL   8           HB       VAL   8  -2.059  -2.869  -2.001
   48   HG11  VAL   8          HG11      VAL   8  -0.502  -4.651  -2.626
   49   HG12  VAL   8          HG12      VAL   8  -0.824  -4.313  -4.324
   50   HG13  VAL   8          3HG1      VAL   8  -2.122  -4.891  -3.280
   51   HG21  VAL   8          HG21      VAL   8   0.369  -2.429  -2.216
   52   HG22  VAL   8          HG22      VAL   8  -0.599  -0.990  -2.533
   53   HG23  VAL   8          HG23      VAL   8   0.104  -1.891  -3.874
   54    H    GLU   9           H        GLU   9  -3.662  -4.249  -5.029
   55    HA   GLU   9           HA       GLU   9  -6.198  -4.143  -3.545
   56    HB2  GLU   9           HB2      GLU   9  -6.235  -4.513  -6.028
   57    HB3  GLU   9           HB1      GLU   9  -5.386  -6.027  -5.772
   58    HG2  GLU   9           HG2      GLU   9  -7.268  -6.886  -4.511
   59    HG3  GLU   9           HG1      GLU   9  -8.098  -5.338  -4.663
   60    H    ASP  10           H        ASP  10  -6.072  -4.933  -1.619
   61    HA   ASP  10           HA       ASP  10  -4.104  -6.878  -0.899
   62    HB2  ASP  10           HB2      ASP  10  -4.883  -5.190   0.744
   63    HB3  ASP  10           HB1      ASP  10  -6.474  -5.954   0.729
   64    H    GLU  11           H        GLU  11  -4.177  -8.810  -1.201
   65    HA   GLU  11           HA       GLU  11  -6.446 -10.098  -2.337
   66    HB2  GLU  11           HB2      GLU  11  -3.791 -11.236  -1.499
   67    HB3  GLU  11           HB1      GLU  11  -4.990 -12.061  -2.486
   68    HG2  GLU  11           HG2      GLU  11  -4.787 -10.275  -4.165
   69    HG3  GLU  11           HG1      GLU  11  -3.519  -9.535  -3.195
   70    H    THR  12           H        THR  12  -5.359  -9.755   0.889
   71    HA   THR  12           HA       THR  12  -6.532 -12.225   1.798
   72    HB   THR  12           HB       THR  12  -5.539  -9.858   3.407
   73    HG1  THR  12           HG1      THR  12  -3.959 -12.123   3.148
   74   HG21  THR  12          HG21      THR  12  -5.217 -11.534   5.188
   75   HG22  THR  12          HG22      THR  12  -5.866 -12.785   4.129
   76   HG23  THR  12          HG23      THR  12  -6.906 -11.471   4.682
   77    H    SER  13           H        SER  13  -7.203  -8.781   1.928
   78    HA   SER  13           HA       SER  13  -9.730  -9.124   3.287
   79    HB2  SER  13           HB2      SER  13  -8.657  -6.666   1.970
   80    HB3  SER  13           HB1      SER  13  -9.775  -6.764   3.332
   81    HG   SER  13           HG       SER  13  -7.034  -7.481   3.272
   82    H    GLY  14           H        GLY  14  -8.537  -8.772   0.035
   83    HA2  GLY  14           HA2      GLY  14  -9.614  -8.980  -1.981
   84    HA3  GLY  14           HA1      GLY  14 -11.135  -9.197  -1.111
   85    H    ALA  15           H        ALA  15  -8.955  -6.575  -0.562
   86    HA   ALA  15           HA       ALA  15 -10.906  -4.744  -1.748
   87    HB1  ALA  15           HB1      ALA  15 -11.458  -4.968   0.622
   88    HB2  ALA  15           HB2      ALA  15 -10.889  -3.343   0.237
   89    HB3  ALA  15           HB3      ALA  15  -9.817  -4.484   1.047
   90    H    LYS  16           H        LYS  16  -9.993  -3.216  -2.859
   91    HA   LYS  16           HA       LYS  16  -7.203  -2.761  -3.029
   92    HB2  LYS  16           HB2      LYS  16  -8.844  -2.228  -4.849
   93    HB3  LYS  16           HB1      LYS  16  -9.470  -0.942  -3.824
   94    HG2  LYS  16           HG2      LYS  16  -7.189   0.050  -3.815
   95    HG3  LYS  16           HG1      LYS  16  -6.729  -1.143  -5.014
   96    HD2  LYS  16           HD2      LYS  16  -8.429  -0.339  -6.566
   97    HD3  LYS  16           HD1      LYS  16  -8.977   0.847  -5.379
   98    HE2  LYS  16           HE2      LYS  16  -6.776   1.916  -5.438
   99    HE3  LYS  16           HE1      LYS  16  -6.237   0.729  -6.618
  100    HZ1  LYS  16           HZ1      LYS  16  -6.838   2.801  -7.661
  101    HZ2  LYS  16           HZ2      LYS  16  -8.388   2.728  -7.016
  102    HZ3  LYS  16           HZ3      LYS  16  -7.890   1.586  -8.158
  103    H    THR  17           H        THR  17  -5.982  -1.781  -1.683
  104    HA   THR  17           HA       THR  17  -7.152   0.189   0.107
  105    HB   THR  17           HB       THR  17  -6.555  -1.903   1.307
  106    HG1  THR  17           HG1      THR  17  -6.055  -0.665   2.856
  107   HG21  THR  17          HG21      THR  17  -4.776  -2.708  -0.162
  108   HG22  THR  17          HG22      THR  17  -4.217  -2.606   1.506
  109   HG23  THR  17          HG23      THR  17  -3.742  -1.369   0.341
  110    H    CYS  18           H        CYS  18  -5.686   1.942   0.568
  111    HA   CYS  18           HA       CYS  18  -3.532   2.152  -1.392
  112    HB2  CYS  18           HB2      CYS  18  -5.531   4.306  -0.801
  113    HB3  CYS  18           HB1      CYS  18  -4.179   4.425  -1.886
  114    H    VAL  19           H        VAL  19  -2.119   3.871  -0.948
  115    HA   VAL  19           HA       VAL  19  -1.932   4.603   1.891
  116    HB   VAL  19           HB       VAL  19   0.405   4.044   0.018
  117   HG11  VAL  19          HG11      VAL  19   0.384   4.688   2.966
  118   HG12  VAL  19          HG12      VAL  19   0.925   5.752   1.668
  119   HG13  VAL  19          3HG1      VAL  19   1.812   4.267   2.018
  120   HG21  VAL  19          HG21      VAL  19   0.870   2.077   1.424
  121   HG22  VAL  19          HG22      VAL  19  -0.706   1.959   0.639
  122   HG23  VAL  19          HG23      VAL  19  -0.601   2.395   2.344
  123    HA   PRO  20           HA       PRO  20  -2.101   6.272   3.072
  124    HB2  PRO  20           HB2      PRO  20  -3.803   8.299   3.403
  125    HB3  PRO  20           HB1      PRO  20  -2.046   8.509   3.496
  126    HG2  PRO  20           HG2      PRO  20  -3.905   9.052   1.213
  127    HG3  PRO  20           HG1      PRO  20  -2.630  10.092   1.849
  128    HD2  PRO  20           HD2      PRO  20  -2.248   8.551  -0.337
  129    HD3  PRO  20           HD1      PRO  20  -0.940   8.872   0.822
  130    H    ASP  21           H        ASP  21  -4.055   5.716   4.065
  131    HA   ASP  21           HA       ASP  21  -5.705   4.083   2.533
  132    HB2  ASP  21           HB2      ASP  21  -5.394   3.706   4.921
  133    HB3  ASP  21           HB1      ASP  21  -6.231   5.216   5.274
  134    H    ASN  22           H        ASN  22  -7.443   4.389   1.392
  135    HA   ASN  22           HA       ASN  22  -8.995   5.353   0.205
  136    HB2  ASN  22           HB2      ASN  22  -9.759   6.225   2.972
  137    HB3  ASN  22           HB1      ASN  22 -10.708   6.664   1.550
  138   HD21  ASN  22          HD21      ASN  22  -9.666   4.016   3.585
  139   HD22  ASN  22          HD22      ASN  22 -10.809   2.875   2.962
  140    H    CYS  23           H        CYS  23  -6.619   6.713  -0.001
  141    HA   CYS  23           HA       CYS  23  -6.733   9.454   0.121
  142    HB2  CYS  23           HB2      CYS  23  -5.127   9.368  -1.787
  143    HB3  CYS  23           HB1      CYS  23  -4.710   8.284  -0.457
  144    H    ASP  24           H        ASP  24  -7.984   7.335  -2.255
  145    HA   ASP  24           HA       ASP  24  -8.885   9.574  -3.874
  146    HB2  ASP  24           HB2      ASP  24  -7.771   7.795  -5.107
  147    HB3  ASP  24           HB1      ASP  24  -8.916   6.618  -4.485
  148    H    ALA  25           H        ALA  25 -10.244  10.172  -2.281
  149    HA   ALA  25           HA       ALA  25 -12.915   9.046  -2.659
  150    HB1  ALA  25           HB1      ALA  25 -12.138   8.276  -0.459
  151    HB2  ALA  25           HB2      ALA  25 -13.459   9.434  -0.291
  152    HB3  ALA  25           HB3      ALA  25 -11.798   9.943   0.006
  153    H    SER  26           H        SER  26 -13.458  10.656  -4.057
  154    HA   SER  26           HA       SER  26 -13.839  13.273  -2.858
  155    HB2  SER  26           HB2      SER  26 -11.739  13.347  -4.225
  156    HB3  SER  26           HB1      SER  26 -12.670  12.838  -5.630
  157    HG   SER  26           HG       SER  26 -12.267  15.142  -5.365
  158    H    ARG  27           H        ARG  27 -15.397  14.525  -4.259
  159    HA   ARG  27           HA       ARG  27 -17.616  12.760  -4.837
  160    HB2  ARG  27           HB2      ARG  27 -17.436  15.758  -4.836
  161    HB3  ARG  27           HB1      ARG  27 -18.929  14.837  -4.991
  162    HG2  ARG  27           HG2      ARG  27 -18.576  13.921  -2.757
  163    HG3  ARG  27           HG1      ARG  27 -17.078  14.835  -2.624
  164    HD2  ARG  27           HD2      ARG  27 -19.846  15.996  -2.937
  165    HD3  ARG  27           HD1      ARG  27 -18.882  15.946  -1.459
  166    HE   ARG  27           HE       ARG  27 -17.732  17.308  -3.750
  167   HH11  ARG  27          HH11      ARG  27 -19.418  17.614  -0.647
  168   HH12  ARG  27          HH12      ARG  27 -19.004  19.242  -0.416
  169   HH21  ARG  27          HH21      ARG  27 -17.201  19.590  -3.434
  170   HH22  ARG  27          HH22      ARG  27 -17.739  20.392  -2.035
  171    H    GLY  28           H        GLY  28 -15.203  14.399  -6.561
  172    HA2  GLY  28           HA2      GLY  28 -16.226  13.389  -9.032
  173    HA3  GLY  28           HA1      GLY  28 -16.256  15.147  -8.922
  174    H    THR  29           H        THR  29 -14.639  13.486 -10.698
  175    HA   THR  29           HA       THR  29 -11.977  13.718  -9.635
  176    HB   THR  29           HB       THR  29 -12.722  13.146 -12.500
  177    HG1  THR  29           HG1      THR  29 -13.223  11.669 -10.272
  178   HG21  THR  29          HG21      THR  29 -10.368  12.329 -10.782
  179   HG22  THR  29          HG22      THR  29 -10.351  13.582 -12.022
  180   HG23  THR  29          HG23      THR  29 -10.599  11.896 -12.476
  181    H    ASN  30           H        ASN  30 -11.748  15.881  -9.292
  182    HA   ASN  30           HA       ASN  30 -11.784  17.525 -11.712
  183    HB2  ASN  30           HB2      ASN  30 -12.100  18.367  -8.819
  184    HB3  ASN  30           HB1      ASN  30 -11.845  19.500 -10.139
  185   HD21  ASN  30          HD21      ASN  30 -13.502  19.839 -11.633
  186   HD22  ASN  30          HD22      ASN  30 -15.119  19.351 -11.332
  187    HA   PRO  31           HA       PRO  31  -7.411  17.552 -11.203
  188    HB2  PRO  31           HB2      PRO  31  -6.851  19.477 -13.071
  189    HB3  PRO  31           HB1      PRO  31  -7.199  17.799 -13.486
  190    HG2  PRO  31           HG2      PRO  31  -8.965  20.189 -13.623
  191    HG3  PRO  31           HG1      PRO  31  -8.883  18.793 -14.709
  192    HD2  PRO  31           HD2      PRO  31 -10.806  19.143 -12.789
  193    HD3  PRO  31           HD1      PRO  31 -10.305  17.561 -13.414
  Start of MODEL    9
    1    H1   ASP   1           HT1      ASP   1   4.112  17.119   5.326
    2    H2   ASP   1           HT2      ASP   1   4.449  17.499   3.733
    3    H3   ASP   1           HT3      ASP   1   5.696  17.535   4.869
    4    HA   ASP   1           HA       ASP   1   5.839  15.592   3.492
    5    HB2  ASP   1           HB2      ASP   1   4.950  15.042   6.336
    6    HB3  ASP   1           HB1      ASP   1   5.622  13.806   5.284
    7    H    VAL   2           H        VAL   2   4.812  14.053   2.300
    8    HA   VAL   2           HA       VAL   2   2.149  13.271   3.050
    9    HB   VAL   2           HB       VAL   2   1.777  15.268   1.602
   10   HG11  VAL   2          HG11      VAL   2   3.722  15.158   0.181
   11   HG12  VAL   2          HG12      VAL   2   2.250  15.211  -0.787
   12   HG13  VAL   2          3HG1      VAL   2   3.110  13.687  -0.574
   13   HG21  VAL   2          HG21      VAL   2   0.059  13.563   1.640
   14   HG22  VAL   2          HG22      VAL   2   0.887  12.664   0.370
   15   HG23  VAL   2          HG23      VAL   2   0.183  14.241   0.016
   16    H    SER   3           H        SER   3   1.703  11.235   2.499
   17    HA   SER   3           HA       SER   3   3.833   9.661   1.376
   18    HB2  SER   3           HB2      SER   3   1.107   8.841   2.429
   19    HB3  SER   3           HB1      SER   3   2.492   7.786   2.143
   20    HG   SER   3           HG       SER   3   3.432   9.593   3.656
   21    HA   PRO   4           HA       PRO   4   2.035   9.822  -2.741
   22    HB2  PRO   4           HB2      PRO   4   3.032   7.046  -3.010
   23    HB3  PRO   4           HB1      PRO   4   3.364   8.459  -4.018
   24    HG2  PRO   4           HG2      PRO   4   5.186   7.493  -2.365
   25    HG3  PRO   4           HG1      PRO   4   5.007   9.241  -2.611
   26    HD2  PRO   4           HD2      PRO   4   4.128   7.545  -0.311
   27    HD3  PRO   4           HD1      PRO   4   4.800   9.192  -0.323
   28    H    CYS   5           H        CYS   5   0.162   9.179  -3.640
   29    HA   CYS   5           HA       CYS   5  -1.431   7.317  -2.101
   30    HB2  CYS   5           HB2      CYS   5  -2.357   9.543  -2.552
   31    HB3  CYS   5           HB1      CYS   5  -2.177   9.272  -4.277
   32    H    PHE   6           H        PHE   6  -1.064   5.298  -2.754
   33    HA   PHE   6           HA       PHE   6  -1.556   4.746  -5.566
   34    HB2  PHE   6           HB2      PHE   6   0.167   2.930  -5.528
   35    HB3  PHE   6           HB1      PHE   6   0.852   4.536  -5.370
   36    HD1  PHE   6           HD1      PHE   6   0.189   1.359  -3.657
   37    HD2  PHE   6           HD2      PHE   6   1.975   5.204  -3.347
   38    HE1  PHE   6           HE1      PHE   6   1.420   0.620  -1.660
   39    HE2  PHE   6           HE2      PHE   6   3.208   4.474  -1.350
   40    HZ   PHE   6           HZ       PHE   6   2.931   2.179  -0.502
   41    H    CYS   7           H        CYS   7  -2.624   2.808  -5.973
   42    HA   CYS   7           HA       CYS   7  -3.744   1.630  -3.559
   43    HB2  CYS   7           HB2      CYS   7  -5.060   1.831  -6.262
   44    HB3  CYS   7           HB1      CYS   7  -5.790   1.224  -4.784
   45    H    VAL   8           H        VAL   8  -4.078  -0.581  -3.501
   46    HA   VAL   8           HA       VAL   8  -2.608  -2.169  -5.479
   47    HB   VAL   8           HB       VAL   8  -2.281  -2.514  -2.488
   48   HG11  VAL   8          HG11      VAL   8  -0.360  -3.917  -3.040
   49   HG12  VAL   8          HG12      VAL   8  -0.692  -3.673  -4.753
   50   HG13  VAL   8          3HG1      VAL   8  -1.865  -4.514  -3.740
   51   HG21  VAL   8          HG21      VAL   8  -0.312  -1.121  -4.306
   52   HG22  VAL   8          HG22      VAL   8  -0.020  -1.553  -2.621
   53   HG23  VAL   8          HG23      VAL   8  -1.262  -0.368  -3.026
   54    H    GLU   9           H        GLU   9  -3.401  -4.368  -5.417
   55    HA   GLU   9           HA       GLU   9  -6.030  -4.614  -4.298
   56    HB2  GLU   9           HB2      GLU   9  -5.438  -5.669  -6.473
   57    HB3  GLU   9           HB1      GLU   9  -4.290  -6.700  -5.629
   58    HG2  GLU   9           HG2      GLU   9  -6.101  -7.709  -4.361
   59    HG3  GLU   9           HG1      GLU   9  -7.263  -6.657  -5.167
   60    H    ASP  10           H        ASP  10  -6.168  -4.878  -2.177
   61    HA   ASP  10           HA       ASP  10  -3.972  -6.095  -0.798
   62    HB2  ASP  10           HB2      ASP  10  -4.811  -4.151   0.292
   63    HB3  ASP  10           HB1      ASP  10  -6.469  -4.748   0.208
   64    H    GLU  11           H        GLU  11  -3.863  -8.062  -0.506
   65    HA   GLU  11           HA       GLU  11  -5.944  -9.896  -1.070
   66    HB2  GLU  11           HB2      GLU  11  -4.268 -11.589  -0.349
   67    HB3  GLU  11           HB1      GLU  11  -3.709 -10.447  -1.567
   68    HG2  GLU  11           HG2      GLU  11  -2.473  -9.208   0.077
   69    HG3  GLU  11           HG1      GLU  11  -3.096 -10.240   1.364
   70    H    THR  12           H        THR  12  -4.972  -8.273   1.755
   71    HA   THR  12           HA       THR  12  -5.911 -10.145   3.682
   72    HB   THR  12           HB       THR  12  -5.805  -7.162   4.112
   73    HG1  THR  12           HG1      THR  12  -3.901  -7.354   3.267
   74   HG21  THR  12          HG21      THR  12  -5.024  -9.529   5.837
   75   HG22  THR  12          HG22      THR  12  -6.530  -8.624   5.973
   76   HG23  THR  12          HG23      THR  12  -4.994  -7.835   6.331
   77    H    SER  13           H        SER  13  -7.258  -7.167   2.272
   78    HA   SER  13           HA       SER  13  -9.858  -7.603   3.404
   79    HB2  SER  13           HB2      SER  13  -9.003  -5.683   1.270
   80    HB3  SER  13           HB1      SER  13 -10.448  -5.558   2.279
   81    HG   SER  13           HG       SER  13  -7.727  -5.305   3.012
   82    H    GLY  14           H        GLY  14  -8.264  -8.232   0.333
   83    HA2  GLY  14           HA2      GLY  14  -8.970  -9.867  -1.184
   84    HA3  GLY  14           HA1      GLY  14 -10.596  -9.761  -0.519
   85    H    ALA  15           H        ALA  15  -9.038  -6.786  -1.135
   86    HA   ALA  15           HA       ALA  15 -10.001  -6.416  -3.808
   87    HB1  ALA  15           HB1      ALA  15 -11.422  -4.983  -1.551
   88    HB2  ALA  15           HB2      ALA  15 -12.129  -6.221  -2.590
   89    HB3  ALA  15           HB3      ALA  15 -11.647  -4.666  -3.270
   90    H    LYS  16           H        LYS  16  -9.779  -3.961  -4.348
   91    HA   LYS  16           HA       LYS  16  -7.164  -3.227  -3.588
   92    HB2  LYS  16           HB2      LYS  16  -9.182  -1.954  -5.377
   93    HB3  LYS  16           HB1      LYS  16  -7.762  -1.046  -4.879
   94    HG2  LYS  16           HG2      LYS  16  -6.321  -2.766  -5.813
   95    HG3  LYS  16           HG1      LYS  16  -7.715  -3.702  -6.318
   96    HD2  LYS  16           HD2      LYS  16  -7.061  -0.894  -7.252
   97    HD3  LYS  16           HD1      LYS  16  -6.680  -2.356  -8.152
   98    HE2  LYS  16           HE2      LYS  16  -9.466  -1.448  -7.390
   99    HE3  LYS  16           HE1      LYS  16  -8.720  -1.234  -8.969
  100    HZ1  LYS  16           HZ1      LYS  16 -10.186  -3.162  -8.897
  101    HZ2  LYS  16           HZ2      LYS  16  -9.260  -3.869  -7.697
  102    HZ3  LYS  16           HZ3      LYS  16  -8.613  -3.631  -9.222
  103    H    THR  17           H        THR  17  -6.373  -1.917  -2.321
  104    HA   THR  17           HA       THR  17  -8.042  -0.080  -0.810
  105    HB   THR  17           HB       THR  17  -5.864  -1.887   0.334
  106    HG1  THR  17           HG1      THR  17  -8.233  -2.576  -0.277
  107   HG21  THR  17          HG21      THR  17  -7.822  -0.026   1.702
  108   HG22  THR  17          HG22      THR  17  -6.100   0.287   1.488
  109   HG23  THR  17          HG23      THR  17  -6.634  -1.049   2.514
  110    H    CYS  18           H        CYS  18  -6.706   1.800  -0.183
  111    HA   CYS  18           HA       CYS  18  -4.340   1.910  -1.866
  112    HB2  CYS  18           HB2      CYS  18  -5.959   4.248  -0.908
  113    HB3  CYS  18           HB1      CYS  18  -4.703   4.240  -2.121
  114    H    VAL  19           H        VAL  19  -2.678   3.247  -1.124
  115    HA   VAL  19           HA       VAL  19  -2.431   3.283   1.793
  116    HB   VAL  19           HB       VAL  19  -0.288   2.442  -0.198
  117   HG11  VAL  19          HG11      VAL  19   0.652   3.622   1.696
  118   HG12  VAL  19          HG12      VAL  19   1.070   1.909   1.761
  119   HG13  VAL  19          3HG1      VAL  19  -0.197   2.549   2.808
  120   HG21  VAL  19          HG21      VAL  19  -1.949   0.676   0.084
  121   HG22  VAL  19          HG22      VAL  19  -1.769   0.766   1.835
  122   HG23  VAL  19          HG23      VAL  19  -0.423   0.216   0.839
  123    HA   PRO  20           HA       PRO  20  -1.976   4.611   3.344
  124    HB2  PRO  20           HB2      PRO  20  -3.022   6.964   4.171
  125    HB3  PRO  20           HB1      PRO  20  -1.283   6.622   4.251
  126    HG2  PRO  20           HG2      PRO  20  -2.844   8.154   2.217
  127    HG3  PRO  20           HG1      PRO  20  -1.316   8.586   2.978
  128    HD2  PRO  20           HD2      PRO  20  -1.374   7.530   0.509
  129    HD3  PRO  20           HD1      PRO  20  -0.085   7.132   1.659
  130    H    ASP  21           H        ASP  21  -4.101   4.735   4.466
  131    HA   ASP  21           HA       ASP  21  -6.178   3.765   2.871
  132    HB2  ASP  21           HB2      ASP  21  -5.948   3.320   5.308
  133    HB3  ASP  21           HB1      ASP  21  -6.342   5.010   5.597
  134    H    ASN  22           H        ASN  22  -7.516   4.751   1.577
  135    HA   ASN  22           HA       ASN  22  -8.592   6.263   0.403
  136    HB2  ASN  22           HB2      ASN  22  -9.234   7.241   3.181
  137    HB3  ASN  22           HB1      ASN  22  -9.920   7.935   1.713
  138   HD21  ASN  22          HD21      ASN  22  -9.834   5.086   3.756
  139   HD22  ASN  22          HD22      ASN  22 -11.216   4.342   3.064
  140    H    CYS  23           H        CYS  23  -5.896   6.762   0.436
  141    HA   CYS  23           HA       CYS  23  -5.058   9.301   1.016
  142    HB2  CYS  23           HB2      CYS  23  -3.310   8.905  -0.713
  143    HB3  CYS  23           HB1      CYS  23  -3.506   7.597   0.451
  144    H    ASP  24           H        ASP  24  -7.069   8.397  -1.568
  145    HA   ASP  24           HA       ASP  24  -6.765  11.096  -2.605
  146    HB2  ASP  24           HB2      ASP  24  -7.968  10.414  -4.721
  147    HB3  ASP  24           HB1      ASP  24  -6.422   9.630  -4.486
  148    H    ALA  25           H        ALA  25  -7.723  11.902  -0.962
  149    HA   ALA  25           HA       ALA  25 -10.497  12.478  -1.398
  150    HB1  ALA  25           HB1      ALA  25 -10.703  10.484   0.032
  151    HB2  ALA  25           HB2      ALA  25 -11.212  11.928   0.908
  152    HB3  ALA  25           HB3      ALA  25  -9.630  11.219   1.222
  153    H    SER  26           H        SER  26 -10.213  14.607  -1.478
  154    HA   SER  26           HA       SER  26  -8.285  15.916   0.169
  155    HB2  SER  26           HB2      SER  26 -10.389  17.102  -1.666
  156    HB3  SER  26           HB1      SER  26  -9.027  17.977  -0.964
  157    HG   SER  26           HG       SER  26  -8.636  15.658  -2.518
  158    H    ARG  27           H        ARG  27  -8.674  16.348   2.248
  159    HA   ARG  27           HA       ARG  27 -11.343  16.188   3.207
  160    HB2  ARG  27           HB2      ARG  27 -10.417  16.494   5.485
  161    HB3  ARG  27           HB1      ARG  27  -9.676  15.178   4.598
  162    HG2  ARG  27           HG2      ARG  27  -7.709  16.581   4.172
  163    HG3  ARG  27           HG1      ARG  27  -8.482  17.901   5.049
  164    HD2  ARG  27           HD2      ARG  27  -8.514  16.580   7.084
  165    HD3  ARG  27           HD1      ARG  27  -7.828  15.200   6.227
  166    HE   ARG  27           HE       ARG  27  -6.109  17.328   5.864
  167   HH11  ARG  27          HH11      ARG  27  -7.273  15.447   8.632
  168   HH12  ARG  27          HH12      ARG  27  -5.819  15.591   9.507
  169   HH21  ARG  27          HH21      ARG  27  -4.098  17.515   7.076
  170   HH22  ARG  27          HH22      ARG  27  -3.976  16.787   8.596
  171    H    GLY  28           H        GLY  28 -12.644  17.702   2.752
  172    HA2  GLY  28           HA2      GLY  28 -11.921  20.483   2.979
  173    HA3  GLY  28           HA1      GLY  28 -13.514  19.839   2.561
  174    H    THR  29           H        THR  29 -13.786  18.072   4.691
  175    HA   THR  29           HA       THR  29 -14.226  19.923   6.892
  176    HB   THR  29           HB       THR  29 -15.239  17.089   6.505
  177    HG1  THR  29           HG1      THR  29 -15.867  19.172   5.080
  178   HG21  THR  29          HG21      THR  29 -16.210  19.349   8.278
  179   HG22  THR  29          HG22      THR  29 -15.312  17.935   8.826
  180   HG23  THR  29          HG23      THR  29 -16.935  17.745   8.164
  181    H    ASN  30           H        ASN  30 -12.724  19.816   8.504
  182    HA   ASN  30           HA       ASN  30 -11.245  17.311   8.840
  183    HB2  ASN  30           HB2      ASN  30  -9.826  18.912   7.594
  184    HB3  ASN  30           HB1      ASN  30 -10.038  20.092   8.879
  185   HD21  ASN  30          HD21      ASN  30  -7.798  20.179   9.228
  186   HD22  ASN  30          HD22      ASN  30  -6.951  18.902  10.017
  187    HA   PRO  31           HA       PRO  31 -12.972  18.176  12.968
  188    HB2  PRO  31           HB2      PRO  31 -11.816  15.464  13.357
  189    HB3  PRO  31           HB1      PRO  31 -13.435  16.053  13.749
  190    HG2  PRO  31           HG2      PRO  31 -13.061  14.438  11.676
  191    HG3  PRO  31           HG1      PRO  31 -14.198  15.795  11.570
  192    HD2  PRO  31           HD2      PRO  31 -11.421  15.564  10.475
  193    HD3  PRO  31           HD1      PRO  31 -12.874  16.266   9.735
  Start of MODEL   10
    1    H1   ASP   1           HT1      ASP   1   2.298  16.552   4.367
    2    H2   ASP   1           HT2      ASP   1   2.590  17.915   3.409
    3    H3   ASP   1           HT3      ASP   1   3.776  17.373   4.467
    4    HA   ASP   1           HA       ASP   1   4.291  16.807   2.213
    5    HB2  ASP   1           HB2      ASP   1   5.126  15.296   3.908
    6    HB3  ASP   1           HB1      ASP   1   3.574  14.470   3.995
    7    H    VAL   2           H        VAL   2   3.539  16.403   0.229
    8    HA   VAL   2           HA       VAL   2   0.782  15.600  -0.027
    9    HB   VAL   2           HB       VAL   2   2.783  16.277  -2.224
   10   HG11  VAL   2          HG11      VAL   2   0.934  14.922  -3.030
   11   HG12  VAL   2          HG12      VAL   2   0.811  16.568  -3.655
   12   HG13  VAL   2          3HG1      VAL   2  -0.224  16.050  -2.325
   13   HG21  VAL   2          HG21      VAL   2   0.676  18.028  -0.953
   14   HG22  VAL   2          HG22      VAL   2   1.646  18.456  -2.362
   15   HG23  VAL   2          HG23      VAL   2   2.424  18.214  -0.799
   16    H    SER   3           H        SER   3   0.917  13.544   0.708
   17    HA   SER   3           HA       SER   3   2.834  11.659  -0.153
   18    HB2  SER   3           HB2      SER   3   0.164  11.193   1.156
   19    HB3  SER   3           HB1      SER   3   1.558  10.111   1.181
   20    HG   SER   3           HG       SER   3   2.577  12.242   2.104
   21    HA   PRO   4           HA       PRO   4   0.843  10.748  -4.125
   22    HB2  PRO   4           HB2      PRO   4   2.670   8.419  -3.993
   23    HB3  PRO   4           HB1      PRO   4   2.499   9.625  -5.269
   24    HG2  PRO   4           HG2      PRO   4   4.615   9.622  -3.653
   25    HG3  PRO   4           HG1      PRO   4   3.882  11.143  -4.194
   26    HD2  PRO   4           HD2      PRO   4   3.660   9.757  -1.560
   27    HD3  PRO   4           HD1      PRO   4   3.788  11.492  -1.927
   28    H    CYS   5           H        CYS   5  -0.836   9.480  -4.567
   29    HA   CYS   5           HA       CYS   5  -1.763   7.614  -2.586
   30    HB2  CYS   5           HB2      CYS   5  -3.262   9.257  -3.788
   31    HB3  CYS   5           HB1      CYS   5  -2.909   8.325  -5.250
   32    H    PHE   6           H        PHE   6  -1.161   5.542  -2.694
   33    HA   PHE   6           HA       PHE   6  -1.040   4.426  -5.369
   34    HB2  PHE   6           HB2      PHE   6   1.272   4.699  -4.310
   35    HB3  PHE   6           HB1      PHE   6   0.772   3.462  -3.154
   36    HD1  PHE   6           HD1      PHE   6   1.022   1.200  -3.700
   37    HD2  PHE   6           HD2      PHE   6   1.023   4.139  -6.765
   38    HE1  PHE   6           HE1      PHE   6   1.550  -0.532  -5.361
   39    HE2  PHE   6           HE2      PHE   6   1.544   2.458  -8.421
   40    HZ   PHE   6           HZ       PHE   6   1.817   0.081  -7.736
   41    H    CYS   7           H        CYS   7  -2.235   2.682  -5.624
   42    HA   CYS   7           HA       CYS   7  -3.486   1.578  -3.230
   43    HB2  CYS   7           HB2      CYS   7  -4.580   1.727  -6.020
   44    HB3  CYS   7           HB1      CYS   7  -5.394   1.073  -4.618
   45    H    VAL   8           H        VAL   8  -3.737  -0.575  -3.086
   46    HA   VAL   8           HA       VAL   8  -2.528  -2.325  -5.108
   47    HB   VAL   8           HB       VAL   8  -2.033  -2.703  -2.151
   48   HG11  VAL   8          HG11      VAL   8  -0.694  -3.950  -4.526
   49   HG12  VAL   8          HG12      VAL   8  -1.868  -4.707  -3.452
   50   HG13  VAL   8          3HG1      VAL   8  -0.276  -4.255  -2.840
   51   HG21  VAL   8          HG21      VAL   8   0.294  -1.924  -2.435
   52   HG22  VAL   8          HG22      VAL   8  -0.874  -0.636  -2.737
   53   HG23  VAL   8          HG23      VAL   8  -0.086  -1.446  -4.090
   54    H    GLU   9           H        GLU   9  -3.536  -4.362  -5.064
   55    HA   GLU   9           HA       GLU   9  -6.098  -4.361  -3.699
   56    HB2  GLU   9           HB2      GLU   9  -5.941  -4.985  -6.117
   57    HB3  GLU   9           HB1      GLU   9  -5.021  -6.406  -5.636
   58    HG2  GLU   9           HG2      GLU   9  -6.885  -7.278  -4.423
   59    HG3  GLU   9           HG1      GLU   9  -7.807  -5.803  -4.688
   60    H    ASP  10           H        ASP  10  -6.063  -4.933  -1.698
   61    HA   ASP  10           HA       ASP  10  -4.103  -6.596  -0.519
   62    HB2  ASP  10           HB2      ASP  10  -5.128  -4.947   0.896
   63    HB3  ASP  10           HB1      ASP  10  -6.736  -5.552   0.513
   64    H    GLU  11           H        GLU  11  -3.937  -8.518  -0.518
   65    HA   GLU  11           HA       GLU  11  -5.693 -10.362  -1.738
   66    HB2  GLU  11           HB2      GLU  11  -3.230 -10.610  -1.627
   67    HB3  GLU  11           HB1      GLU  11  -3.335 -10.832   0.102
   68    HG2  GLU  11           HG2      GLU  11  -4.593 -12.723  -1.876
   69    HG3  GLU  11           HG1      GLU  11  -2.944 -12.899  -1.306
   70    H    THR  12           H        THR  12  -5.217  -9.345   1.565
   71    HA   THR  12           HA       THR  12  -6.422 -11.532   2.864
   72    HB   THR  12           HB       THR  12  -6.479  -8.731   3.929
   73    HG1  THR  12           HG1      THR  12  -4.465  -8.687   3.337
   74   HG21  THR  12          HG21      THR  12  -5.889  -9.889   6.025
   75   HG22  THR  12          HG22      THR  12  -5.836 -11.425   5.162
   76   HG23  THR  12          HG23      THR  12  -7.363 -10.558   5.328
   77    H    SER  13           H        SER  13  -7.710  -8.313   2.009
   78    HA   SER  13           HA       SER  13 -10.406  -9.100   2.748
   79    HB2  SER  13           HB2      SER  13  -9.478  -6.549   1.510
   80    HB3  SER  13           HB1      SER  13 -10.930  -6.815   2.478
   81    HG   SER  13           HG       SER  13  -8.235  -6.752   3.255
   82    H    GLY  14           H        GLY  14  -8.456  -8.967  -0.094
   83    HA2  GLY  14           HA2      GLY  14  -8.950  -9.383  -2.287
   84    HA3  GLY  14           HA1      GLY  14 -10.592  -9.803  -1.782
   85    H    ALA  15           H        ALA  15  -8.950  -6.816  -1.083
   86    HA   ALA  15           HA       ALA  15 -10.661  -5.354  -2.937
   87    HB1  ALA  15           HB1      ALA  15 -10.678  -4.854   0.036
   88    HB2  ALA  15           HB2      ALA  15 -12.006  -5.537  -0.902
   89    HB3  ALA  15           HB3      ALA  15 -11.497  -3.869  -1.175
   90    H    LYS  16           H        LYS  16  -9.889  -3.326  -3.414
   91    HA   LYS  16           HA       LYS  16  -7.084  -3.018  -3.031
   92    HB2  LYS  16           HB2      LYS  16  -8.140  -2.639  -5.198
   93    HB3  LYS  16           HB1      LYS  16  -9.068  -1.315  -4.508
   94    HG2  LYS  16           HG2      LYS  16  -7.071  -0.059  -4.128
   95    HG3  LYS  16           HG1      LYS  16  -6.073  -1.409  -4.644
   96    HD2  LYS  16           HD2      LYS  16  -6.245   0.203  -6.460
   97    HD3  LYS  16           HD1      LYS  16  -7.046  -1.299  -6.892
   98    HE2  LYS  16           HE2      LYS  16  -9.226  -0.252  -6.300
   99    HE3  LYS  16           HE1      LYS  16  -8.362   1.252  -5.976
  100    HZ1  LYS  16           HZ1      LYS  16  -8.519  -0.148  -8.585
  101    HZ2  LYS  16           HZ2      LYS  16  -7.592   1.211  -8.285
  102    HZ3  LYS  16           HZ3      LYS  16  -9.272   1.312  -8.180
  103    H    THR  17           H        THR  17  -6.112  -2.056  -1.583
  104    HA   THR  17           HA       THR  17  -7.465   0.006  -0.005
  105    HB   THR  17           HB       THR  17  -5.176  -1.830   0.773
  106    HG1  THR  17           HG1      THR  17  -7.503  -2.605   0.461
  107   HG21  THR  17          HG21      THR  17  -5.642  -1.027   3.068
  108   HG22  THR  17          HG22      THR  17  -6.870   0.065   2.420
  109   HG23  THR  17          HG23      THR  17  -5.177   0.298   2.000
  110    H    CYS  18           H        CYS  18  -6.285   1.950   0.241
  111    HA   CYS  18           HA       CYS  18  -3.931   2.105  -1.478
  112    HB2  CYS  18           HB2      CYS  18  -5.811   4.335  -0.832
  113    HB3  CYS  18           HB1      CYS  18  -4.525   4.319  -2.009
  114    H    VAL  19           H        VAL  19  -2.440   3.685  -0.946
  115    HA   VAL  19           HA       VAL  19  -2.338   4.494   1.831
  116    HB   VAL  19           HB       VAL  19  -0.994   2.453   1.713
  117   HG11  VAL  19          HG11      VAL  19   1.019   2.252   0.323
  118   HG12  VAL  19          HG12      VAL  19   0.588   3.759  -0.486
  119   HG13  VAL  19          3HG1      VAL  19  -0.464   2.352  -0.629
  120   HG21  VAL  19          HG21      VAL  19  -0.181   4.163   3.202
  121   HG22  VAL  19          HG22      VAL  19   0.743   4.906   1.897
  122   HG23  VAL  19          HG23      VAL  19   1.187   3.305   2.493
  123    HA   PRO  20           HA       PRO  20  -1.568   6.218   3.113
  124    HB2  PRO  20           HB2      PRO  20  -2.990   8.550   3.309
  125    HB3  PRO  20           HB1      PRO  20  -1.232   8.465   3.445
  126    HG2  PRO  20           HG2      PRO  20  -2.932   9.199   1.118
  127    HG3  PRO  20           HG1      PRO  20  -1.450   9.951   1.676
  128    HD2  PRO  20           HD2      PRO  20  -1.420   8.277  -0.415
  129    HD3  PRO  20           HD1      PRO  20  -0.086   8.298   0.756
  130    H    ASP  21           H        ASP  21  -3.445   5.971   4.336
  131    HA   ASP  21           HA       ASP  21  -5.425   4.408   3.256
  132    HB2  ASP  21           HB2      ASP  21  -4.904   4.460   5.647
  133    HB3  ASP  21           HB1      ASP  21  -5.567   6.093   5.727
  134    H    ASN  22           H        ASN  22  -7.017   4.779   2.023
  135    HA   ASN  22           HA       ASN  22  -8.601   5.656   0.824
  136    HB2  ASN  22           HB2      ASN  22  -9.075   7.194   3.355
  137    HB3  ASN  22           HB1      ASN  22 -10.062   7.368   1.903
  138   HD21  ASN  22          HD21      ASN  22  -9.225   5.245   4.546
  139   HD22  ASN  22          HD22      ASN  22 -10.469   4.103   4.230
  140    H    CYS  23           H        CYS  23  -5.930   6.889   0.466
  141    HA   CYS  23           HA       CYS  23  -6.301   9.570  -0.190
  142    HB2  CYS  23           HB2      CYS  23  -4.441   9.225  -1.827
  143    HB3  CYS  23           HB1      CYS  23  -4.084   8.608  -0.217
  144    H    ASP  24           H        ASP  24  -7.108   6.724  -1.868
  145    HA   ASP  24           HA       ASP  24  -8.379   8.321  -3.938
  146    HB2  ASP  24           HB2      ASP  24  -7.040   6.499  -4.855
  147    HB3  ASP  24           HB1      ASP  24  -7.925   5.327  -3.878
  148    H    ALA  25           H        ALA  25  -9.788   9.046  -2.441
  149    HA   ALA  25           HA       ALA  25 -12.287   7.589  -2.562
  150    HB1  ALA  25           HB1      ALA  25 -11.127   8.514   0.079
  151    HB2  ALA  25           HB2      ALA  25 -11.376   6.837  -0.405
  152    HB3  ALA  25           HB3      ALA  25 -12.765   7.900  -0.159
  153    H    SER  26           H        SER  26 -10.936   9.934  -3.660
  154    HA   SER  26           HA       SER  26 -12.911  11.914  -3.217
  155    HB2  SER  26           HB2      SER  26 -11.443  12.348  -1.291
  156    HB3  SER  26           HB1      SER  26 -10.039  12.407  -2.354
  157    HG   SER  26           HG       SER  26 -11.978  14.266  -1.828
  158    H    ARG  27           H        ARG  27 -12.447  13.727  -4.704
  159    HA   ARG  27           HA       ARG  27 -10.609  13.146  -6.866
  160    HB2  ARG  27           HB2      ARG  27 -12.684  12.007  -7.485
  161    HB3  ARG  27           HB1      ARG  27 -13.589  13.484  -7.209
  162    HG2  ARG  27           HG2      ARG  27 -12.462  14.551  -9.062
  163    HG3  ARG  27           HG1      ARG  27 -11.476  13.110  -9.320
  164    HD2  ARG  27           HD2      ARG  27 -13.479  11.812  -9.740
  165    HD3  ARG  27           HD1      ARG  27 -14.476  13.238  -9.476
  166    HE   ARG  27           HE       ARG  27 -12.566  13.737 -11.480
  167   HH11  ARG  27          HH11      ARG  27 -15.556  11.952 -10.927
  168   HH12  ARG  27          HH12      ARG  27 -16.066  11.999 -12.548
  169   HH21  ARG  27          HH21      ARG  27 -13.229  13.815 -13.674
  170   HH22  ARG  27          HH22      ARG  27 -14.705  13.087 -14.173
  171    H    GLY  28           H        GLY  28  -9.729  15.001  -7.555
  172    HA2  GLY  28           HA2      GLY  28  -9.803  17.294  -8.152
  173    HA3  GLY  28           HA1      GLY  28 -11.174  17.486  -7.064
  174    H    THR  29           H        THR  29  -9.377  15.732  -5.197
  175    HA   THR  29           HA       THR  29  -8.375  17.933  -3.698
  176    HB   THR  29           HB       THR  29  -8.086  14.938  -3.340
  177    HG1  THR  29           HG1      THR  29 -10.047  15.110  -2.506
  178   HG21  THR  29          HG21      THR  29  -6.308  16.168  -2.134
  179   HG22  THR  29          HG22      THR  29  -7.466  15.446  -1.017
  180   HG23  THR  29          HG23      THR  29  -7.538  17.171  -1.366
  181    H    ASN  30           H        ASN  30  -6.931  15.225  -5.415
  182    HA   ASN  30           HA       ASN  30  -4.760  16.908  -6.224
  183    HB2  ASN  30           HB2      ASN  30  -3.983  15.901  -4.033
  184    HB3  ASN  30           HB1      ASN  30  -4.141  14.314  -4.776
  185   HD21  ASN  30          HD21      ASN  30  -2.299  17.227  -4.635
  186   HD22  ASN  30          HD22      ASN  30  -0.971  16.683  -5.594
  187    HA   PRO  31           HA       PRO  31  -6.348  14.077  -9.407
  188    HB2  PRO  31           HB2      PRO  31  -5.719  16.290 -11.213
  189    HB3  PRO  31           HB1      PRO  31  -7.270  15.515 -10.918
  190    HG2  PRO  31           HG2      PRO  31  -6.749  18.035 -10.091
  191    HG3  PRO  31           HG1      PRO  31  -7.815  16.943  -9.192
  192    HD2  PRO  31           HD2      PRO  31  -4.954  17.650  -8.663
  193    HD3  PRO  31           HD1      PRO  31  -6.308  17.473  -7.525
  Start of MODEL   11
    1    H1   ASP   1           HT1      ASP   1  10.210   8.600   6.411
    2    H2   ASP   1           HT2      ASP   1  10.788   9.170   4.930
    3    H3   ASP   1           HT3      ASP   1  11.356   7.709   5.539
    4    HA   ASP   1           HA       ASP   1   9.743   7.420   3.753
    5    HB2  ASP   1           HB2      ASP   1   9.910   5.695   5.535
    6    HB3  ASP   1           HB1      ASP   1   8.685   6.558   6.460
    7    H    VAL   2           H        VAL   2   7.830   7.947   2.819
    8    HA   VAL   2           HA       VAL   2   5.968   9.626   4.285
    9    HB   VAL   2           HB       VAL   2   5.661  11.033   2.215
   10   HG11  VAL   2          HG11      VAL   2   7.642  12.448   2.525
   11   HG12  VAL   2          HG12      VAL   2   8.422  11.142   3.418
   12   HG13  VAL   2          3HG1      VAL   2   6.973  11.908   4.067
   13   HG21  VAL   2          HG21      VAL   2   8.209   9.684   1.315
   14   HG22  VAL   2          HG22      VAL   2   7.449  11.065   0.525
   15   HG23  VAL   2          HG23      VAL   2   6.618   9.508   0.573
   16    H    SER   3           H        SER   3   3.856   9.700   3.002
   17    HA   SER   3           HA       SER   3   3.545   7.151   1.613
   18    HB2  SER   3           HB2      SER   3   1.606   8.467   3.513
   19    HB3  SER   3           HB1      SER   3   1.317   6.968   2.624
   20    HG   SER   3           HG       SER   3   3.440   6.373   3.663
   21    HA   PRO   4           HA       PRO   4   1.790  10.072  -1.416
   22    HB2  PRO   4           HB2      PRO   4   2.926   8.351  -3.429
   23    HB3  PRO   4           HB1      PRO   4   3.408  10.003  -3.039
   24    HG2  PRO   4           HG2      PRO   4   4.991   7.792  -2.608
   25    HG3  PRO   4           HG1      PRO   4   5.132   9.309  -1.708
   26    HD2  PRO   4           HD2      PRO   4   3.781   6.762  -0.927
   27    HD3  PRO   4           HD1      PRO   4   4.768   7.873   0.053
   28    H    CYS   5           H        CYS   5  -0.097   9.605  -2.592
   29    HA   CYS   5           HA       CYS   5  -1.417   7.244  -1.829
   30    HB2  CYS   5           HB2      CYS   5  -2.657   9.273  -2.151
   31    HB3  CYS   5           HB1      CYS   5  -2.201   9.325  -3.850
   32    H    PHE   6           H        PHE   6  -0.861   5.359  -2.543
   33    HA   PHE   6           HA       PHE   6  -1.196   4.889  -5.393
   34    HB2  PHE   6           HB2      PHE   6   0.582   3.142  -5.370
   35    HB3  PHE   6           HB1      PHE   6   1.213   4.753  -5.075
   36    HD1  PHE   6           HD1      PHE   6   2.297   5.285  -3.018
   37    HD2  PHE   6           HD2      PHE   6   0.471   1.483  -3.551
   38    HE1  PHE   6           HE1      PHE   6   3.442   4.460  -1.012
   39    HE2  PHE   6           HE2      PHE   6   1.608   0.654  -1.540
   40    HZ   PHE   6           HZ       PHE   6   3.094   2.147  -0.266
   41    H    CYS   7           H        CYS   7  -2.054   2.780  -5.874
   42    HA   CYS   7           HA       CYS   7  -3.317   1.603  -3.519
   43    HB2  CYS   7           HB2      CYS   7  -4.562   2.011  -6.209
   44    HB3  CYS   7           HB1      CYS   7  -5.304   1.200  -4.848
   45    H    VAL   8           H        VAL   8  -3.627  -0.520  -3.486
   46    HA   VAL   8           HA       VAL   8  -2.480  -2.161  -5.633
   47    HB   VAL   8           HB       VAL   8  -1.978  -2.663  -2.683
   48   HG11  VAL   8          HG11      VAL   8  -0.248  -4.213  -3.430
   49   HG12  VAL   8          HG12      VAL   8  -0.678  -3.866  -5.104
   50   HG13  VAL   8          3HG1      VAL   8  -1.850  -4.640  -4.035
   51   HG21  VAL   8          HG21      VAL   8   0.356  -1.916  -2.987
   52   HG22  VAL   8          HG22      VAL   8  -0.798  -0.604  -3.232
   53   HG23  VAL   8          HG23      VAL   8  -0.044  -1.385  -4.622
   54    H    GLU   9           H        GLU   9  -3.437  -4.269  -5.626
   55    HA   GLU   9           HA       GLU   9  -6.084  -4.371  -4.402
   56    HB2  GLU   9           HB2      GLU   9  -5.751  -4.954  -6.811
   57    HB3  GLU   9           HB1      GLU   9  -4.713  -6.276  -6.311
   58    HG2  GLU   9           HG2      GLU   9  -6.571  -7.363  -5.224
   59    HG3  GLU   9           HG1      GLU   9  -7.622  -6.000  -5.612
   60    H    ASP  10           H        ASP  10  -6.084  -5.061  -2.380
   61    HA   ASP  10           HA       ASP  10  -3.964  -6.893  -1.506
   62    HB2  ASP  10           HB2      ASP  10  -4.199  -4.688  -0.352
   63    HB3  ASP  10           HB1      ASP  10  -5.820  -5.211   0.130
   64    H    GLU  11           H        GLU  11  -4.442  -8.853  -1.215
   65    HA   GLU  11           HA       GLU  11  -7.115  -9.819  -1.369
   66    HB2  GLU  11           HB2      GLU  11  -4.511 -11.208  -0.866
   67    HB3  GLU  11           HB1      GLU  11  -6.056 -12.048  -0.941
   68    HG2  GLU  11           HG2      GLU  11  -4.788 -10.440  -3.129
   69    HG3  GLU  11           HG1      GLU  11  -4.929 -12.199  -3.058
   70    H    THR  12           H        THR  12  -5.119  -8.919   1.271
   71    HA   THR  12           HA       THR  12  -6.435 -10.632   3.160
   72    HB   THR  12           HB       THR  12  -4.738  -8.163   3.665
   73    HG1  THR  12           HG1      THR  12  -4.145 -10.775   2.874
   74   HG21  THR  12          HG21      THR  12  -5.956  -9.010   5.641
   75   HG22  THR  12          HG22      THR  12  -4.220  -9.287   5.803
   76   HG23  THR  12          HG23      THR  12  -5.290 -10.617   5.361
   77    H    SER  13           H        SER  13  -6.645  -7.355   2.040
   78    HA   SER  13           HA       SER  13  -8.843  -6.578   3.695
   79    HB2  SER  13           HB2      SER  13  -7.096  -5.048   2.684
   80    HB3  SER  13           HB1      SER  13  -7.854  -5.379   1.131
   81    HG   SER  13           HG       SER  13  -8.561  -3.470   1.995
   82    H    GLY  14           H        GLY  14  -8.360  -7.925   0.484
   83    HA2  GLY  14           HA2      GLY  14  -9.872  -9.317  -0.631
   84    HA3  GLY  14           HA1      GLY  14 -11.170  -8.683   0.374
   85    H    ALA  15           H        ALA  15  -9.072  -6.327  -0.952
   86    HA   ALA  15           HA       ALA  15 -10.398  -5.828  -3.392
   87    HB1  ALA  15           HB1      ALA  15 -11.238  -4.133  -1.026
   88    HB2  ALA  15           HB2      ALA  15 -12.283  -5.223  -1.938
   89    HB3  ALA  15           HB3      ALA  15 -11.609  -3.787  -2.714
   90    H    LYS  16           H        LYS  16  -9.894  -3.407  -3.977
   91    HA   LYS  16           HA       LYS  16  -7.157  -2.920  -3.776
   92    HB2  LYS  16           HB2      LYS  16  -8.683  -2.038  -5.540
   93    HB3  LYS  16           HB1      LYS  16  -9.370  -0.945  -4.347
   94    HG2  LYS  16           HG2      LYS  16  -7.150   0.077  -4.065
   95    HG3  LYS  16           HG1      LYS  16  -6.527  -0.976  -5.330
   96    HD2  LYS  16           HD2      LYS  16  -6.986   0.961  -6.516
   97    HD3  LYS  16           HD1      LYS  16  -8.456   0.030  -6.764
   98    HE2  LYS  16           HE2      LYS  16  -8.066   2.256  -4.749
   99    HE3  LYS  16           HE1      LYS  16  -8.902   2.401  -6.282
  100    HZ1  LYS  16           HZ1      LYS  16 -10.410   2.239  -4.500
  101    HZ2  LYS  16           HZ2      LYS  16  -9.761   0.823  -3.918
  102    HZ3  LYS  16           HZ3      LYS  16 -10.590   0.820  -5.408
  103    H    THR  17           H        THR  17  -5.989  -1.909  -2.322
  104    HA   THR  17           HA       THR  17  -7.277  -0.247  -0.324
  105    HB   THR  17           HB       THR  17  -5.123  -2.318   0.256
  106    HG1  THR  17           HG1      THR  17  -7.493  -2.871  -0.243
  107   HG21  THR  17          HG21      THR  17  -5.124  -0.332   1.742
  108   HG22  THR  17          HG22      THR  17  -5.606  -1.793   2.607
  109   HG23  THR  17          HG23      THR  17  -6.824  -0.620   2.100
  110    H    CYS  18           H        CYS  18  -6.021   1.554   0.126
  111    HA   CYS  18           HA       CYS  18  -3.694   1.785  -1.632
  112    HB2  CYS  18           HB2      CYS  18  -5.503   3.994  -0.694
  113    HB3  CYS  18           HB1      CYS  18  -4.243   4.089  -1.911
  114    H    VAL  19           H        VAL  19  -2.169   3.450  -0.939
  115    HA   VAL  19           HA       VAL  19  -1.999   3.742   1.961
  116    HB   VAL  19           HB       VAL  19   0.345   3.355   0.046
  117   HG11  VAL  19          HG11      VAL  19   0.329   3.693   3.047
  118   HG12  VAL  19          HG12      VAL  19   0.896   4.873   1.866
  119   HG13  VAL  19          3HG1      VAL  19   1.750   3.342   2.062
  120   HG21  VAL  19          HG21      VAL  19  -0.663   1.508   2.209
  121   HG22  VAL  19          HG22      VAL  19   0.773   1.249   1.217
  122   HG23  VAL  19          HG23      VAL  19  -0.828   1.243   0.474
  123    HA   PRO  20           HA       PRO  20  -2.050   5.201   3.335
  124    HB2  PRO  20           HB2      PRO  20  -3.607   7.286   4.011
  125    HB3  PRO  20           HB1      PRO  20  -1.845   7.359   4.126
  126    HG2  PRO  20           HG2      PRO  20  -3.652   8.367   1.970
  127    HG3  PRO  20           HG1      PRO  20  -2.310   9.213   2.723
  128    HD2  PRO  20           HD2      PRO  20  -2.041   8.005   0.334
  129    HD3  PRO  20           HD1      PRO  20  -0.711   8.019   1.509
  130    H    ASP  21           H        ASP  21  -4.103   4.718   4.268
  131    HA   ASP  21           HA       ASP  21  -5.845   3.428   2.504
  132    HB2  ASP  21           HB2      ASP  21  -5.540   2.641   4.768
  133    HB3  ASP  21           HB1      ASP  21  -6.161   4.163   5.399
  134    H    ASN  22           H        ASN  22  -7.609   4.023   1.489
  135    HA   ASN  22           HA       ASN  22  -9.219   5.175   0.593
  136    HB2  ASN  22           HB2      ASN  22  -9.400   6.415   3.337
  137    HB3  ASN  22           HB1      ASN  22 -10.502   6.753   2.000
  138   HD21  ASN  22          HD21      ASN  22 -10.678   4.149   0.925
  139   HD22  ASN  22          HD22      ASN  22 -11.511   3.152   2.045
  140    H    CYS  23           H        CYS  23  -6.416   6.237   0.400
  141    HA   CYS  23           HA       CYS  23  -6.760   9.029   0.073
  142    HB2  CYS  23           HB2      CYS  23  -4.630   9.001  -1.049
  143    HB3  CYS  23           HB1      CYS  23  -4.540   7.914   0.338
  144    H    ASP  24           H        ASP  24  -7.824   6.367  -1.683
  145    HA   ASP  24           HA       ASP  24  -7.735   7.622  -4.246
  146    HB2  ASP  24           HB2      ASP  24  -8.777   5.593  -5.150
  147    HB3  ASP  24           HB1      ASP  24  -7.437   5.164  -4.110
  148    H    ALA  25           H        ALA  25  -8.672   9.301  -3.656
  149    HA   ALA  25           HA       ALA  25 -11.323   9.755  -4.505
  150    HB1  ALA  25           HB1      ALA  25 -10.937  10.113  -1.523
  151    HB2  ALA  25           HB2      ALA  25 -11.934   8.869  -2.271
  152    HB3  ALA  25           HB3      ALA  25 -12.377  10.569  -2.436
  153    H    SER  26           H        SER  26  -8.645  10.772  -2.686
  154    HA   SER  26           HA       SER  26  -8.936  13.589  -3.402
  155    HB2  SER  26           HB2      SER  26  -6.713  12.237  -1.865
  156    HB3  SER  26           HB1      SER  26  -7.179  13.940  -1.814
  157    HG   SER  26           HG       SER  26  -9.303  13.026  -1.080
  158    H    ARG  27           H        ARG  27  -8.221  11.170  -5.161
  159    HA   ARG  27           HA       ARG  27  -6.352  12.424  -6.860
  160    HB2  ARG  27           HB2      ARG  27  -4.823  11.525  -5.122
  161    HB3  ARG  27           HB1      ARG  27  -5.492   9.925  -5.385
  162    HG2  ARG  27           HG2      ARG  27  -4.619   9.886  -7.622
  163    HG3  ARG  27           HG1      ARG  27  -4.048  11.550  -7.445
  164    HD2  ARG  27           HD2      ARG  27  -2.555  10.876  -5.666
  165    HD3  ARG  27           HD1      ARG  27  -3.159   9.223  -5.761
  166    HE   ARG  27           HE       ARG  27  -2.309   9.451  -8.184
  167   HH11  ARG  27          HH11      ARG  27  -0.718  10.942  -5.406
  168   HH12  ARG  27          HH12      ARG  27   0.860  10.646  -5.920
  169   HH21  ARG  27          HH21      ARG  27  -0.128   8.981  -8.934
  170   HH22  ARG  27          HH22      ARG  27   1.196   9.501  -8.006
  171    H    GLY  28           H        GLY  28  -6.531  11.532  -8.881
  172    HA2  GLY  28           HA2      GLY  28  -8.016   9.029  -9.158
  173    HA3  GLY  28           HA1      GLY  28  -8.625  10.488  -9.933
  174    H    THR  29           H        THR  29  -5.476   8.937  -9.563
  175    HA   THR  29           HA       THR  29  -4.592   9.828 -12.140
  176    HB   THR  29           HB       THR  29  -3.293   7.694 -10.438
  177    HG1  THR  29           HG1      THR  29  -3.354  10.518 -10.168
  178   HG21  THR  29          HG21      THR  29  -2.209   9.804 -12.319
  179   HG22  THR  29          HG22      THR  29  -2.337   8.079 -12.670
  180   HG23  THR  29          HG23      THR  29  -1.237   8.648 -11.413
  181    H    ASN  30           H        ASN  30  -5.343   6.662 -10.697
  182    HA   ASN  30           HA       ASN  30  -6.019   5.717 -13.354
  183    HB2  ASN  30           HB2      ASN  30  -3.786   4.795 -12.942
  184    HB3  ASN  30           HB1      ASN  30  -4.291   4.146 -11.393
  185   HD21  ASN  30          HD21      ASN  30  -3.795   2.059 -11.915
  186   HD22  ASN  30          HD22      ASN  30  -4.669   1.120 -13.066
  187    HA   PRO  31           HA       PRO  31  -8.920   3.546 -10.302
  188    HB2  PRO  31           HB2      PRO  31  -8.607   4.016  -7.614
  189    HB3  PRO  31           HB1      PRO  31  -8.007   2.567  -8.427
  190    HG2  PRO  31           HG2      PRO  31  -6.561   4.987  -7.534
  191    HG3  PRO  31           HG1      PRO  31  -6.003   3.311  -7.610
  192    HD2  PRO  31           HD2      PRO  31  -5.301   5.233  -9.440
  193    HD3  PRO  31           HD1      PRO  31  -5.347   3.494  -9.772
  Start of MODEL   12
    1    H1   ASP   1           HT1      ASP   1   1.005  17.578   5.001
    2    H2   ASP   1           HT2      ASP   1   0.189  16.235   4.373
    3    H3   ASP   1           HT3      ASP   1   0.137  17.686   3.552
    4    HA   ASP   1           HA       ASP   1   2.437  17.577   3.062
    5    HB2  ASP   1           HB2      ASP   1   3.749  15.599   3.583
    6    HB3  ASP   1           HB1      ASP   1   3.112  16.270   5.076
    7    H    VAL   2           H        VAL   2   3.040  16.636   1.129
    8    HA   VAL   2           HA       VAL   2   0.877  15.477  -0.342
    9    HB   VAL   2           HB       VAL   2   3.716  16.105  -1.229
   10   HG11  VAL   2          HG11      VAL   2   1.261  15.475  -2.862
   11   HG12  VAL   2          HG12      VAL   2   2.676  14.441  -2.673
   12   HG13  VAL   2          3HG1      VAL   2   2.816  15.987  -3.515
   13   HG21  VAL   2          HG21      VAL   2   2.541  18.108  -0.534
   14   HG22  VAL   2          HG22      VAL   2   1.168  17.687  -1.556
   15   HG23  VAL   2          HG23      VAL   2   2.719  18.091  -2.289
   16    H    SER   3           H        SER   3   0.541  13.485   0.267
   17    HA   SER   3           HA       SER   3   2.773  11.646   0.536
   18    HB2  SER   3           HB2      SER   3   1.049  11.826   2.354
   19    HB3  SER   3           HB1      SER   3  -0.163  11.269   1.204
   20    HG   SER   3           HG       SER   3   1.226   9.816   2.750
   21    HA   PRO   4           HA       PRO   4   1.869  10.236  -3.662
   22    HB2  PRO   4           HB2      PRO   4   3.184   7.761  -2.693
   23    HB3  PRO   4           HB1      PRO   4   3.572   8.762  -4.097
   24    HG2  PRO   4           HG2      PRO   4   5.113   8.766  -1.907
   25    HG3  PRO   4           HG1      PRO   4   4.847  10.231  -2.864
   26    HD2  PRO   4           HD2      PRO   4   3.674   9.446  -0.238
   27    HD3  PRO   4           HD1      PRO   4   4.143  11.048  -0.847
   28    H    CYS   5           H        CYS   5   0.048   9.237  -4.335
   29    HA   CYS   5           HA       CYS   5  -1.347   7.557  -2.401
   30    HB2  CYS   5           HB2      CYS   5  -2.556   9.489  -3.466
   31    HB3  CYS   5           HB1      CYS   5  -2.279   8.668  -5.012
   32    H    PHE   6           H        PHE   6  -0.960   5.440  -2.620
   33    HA   PHE   6           HA       PHE   6  -0.981   4.424  -5.347
   34    HB2  PHE   6           HB2      PHE   6   1.363   4.523  -4.271
   35    HB3  PHE   6           HB1      PHE   6   0.790   3.221  -3.230
   36    HD1  PHE   6           HD1      PHE   6   0.896   1.000  -3.975
   37    HD2  PHE   6           HD2      PHE   6   1.148   4.196  -6.760
   38    HE1  PHE   6           HE1      PHE   6   1.387  -0.606  -5.773
   39    HE2  PHE   6           HE2      PHE   6   1.633   2.642  -8.549
   40    HZ   PHE   6           HZ       PHE   6   1.763   0.202  -8.074
   41    H    CYS   7           H        CYS   7  -2.174   2.607  -5.590
   42    HA   CYS   7           HA       CYS   7  -3.415   1.541  -3.160
   43    HB2  CYS   7           HB2      CYS   7  -4.714   1.842  -5.857
   44    HB3  CYS   7           HB1      CYS   7  -5.480   1.283  -4.377
   45    H    VAL   8           H        VAL   8  -3.856  -0.654  -3.150
   46    HA   VAL   8           HA       VAL   8  -2.764  -2.268  -5.319
   47    HB   VAL   8           HB       VAL   8  -2.107  -2.827  -2.409
   48   HG11  VAL   8          HG11      VAL   8  -0.958  -3.991  -4.930
   49   HG12  VAL   8          HG12      VAL   8  -2.077  -4.774  -3.817
   50   HG13  VAL   8          3HG1      VAL   8  -0.438  -4.385  -3.292
   51   HG21  VAL   8          HG21      VAL   8  -0.252  -1.534  -4.415
   52   HG22  VAL   8          HG22      VAL   8   0.218  -2.104  -2.813
   53   HG23  VAL   8          HG23      VAL   8  -0.925  -0.770  -2.975
   54    H    GLU   9           H        GLU   9  -3.765  -4.331  -5.286
   55    HA   GLU   9           HA       GLU   9  -6.283  -4.341  -3.863
   56    HB2  GLU   9           HB2      GLU   9  -6.064  -4.972  -6.315
   57    HB3  GLU   9           HB1      GLU   9  -5.216  -6.417  -5.784
   58    HG2  GLU   9           HG2      GLU   9  -7.165  -7.183  -4.605
   59    HG3  GLU   9           HG1      GLU   9  -8.013  -5.685  -4.970
   60    H    ASP  10           H        ASP  10  -6.177  -4.963  -1.833
   61    HA   ASP  10           HA       ASP  10  -4.034  -6.573  -0.848
   62    HB2  ASP  10           HB2      ASP  10  -5.066  -4.740   0.495
   63    HB3  ASP  10           HB1      ASP  10  -6.551  -5.687   0.577
   64    H    GLU  11           H        GLU  11  -3.939  -8.513  -0.832
   65    HA   GLU  11           HA       GLU  11  -5.899 -10.221  -1.994
   66    HB2  GLU  11           HB2      GLU  11  -3.318 -10.881  -0.610
   67    HB3  GLU  11           HB1      GLU  11  -4.244 -11.962  -1.641
   68    HG2  GLU  11           HG2      GLU  11  -3.825 -10.627  -3.554
   69    HG3  GLU  11           HG1      GLU  11  -3.119  -9.341  -2.576
   70    H    THR  12           H        THR  12  -5.287  -9.268   1.221
   71    HA   THR  12           HA       THR  12  -6.405 -11.715   2.322
   72    HB   THR  12           HB       THR  12  -5.366  -9.258   3.748
   73    HG1  THR  12           HG1      THR  12  -3.413 -10.069   3.475
   74   HG21  THR  12          HG21      THR  12  -5.682 -12.134   4.636
   75   HG22  THR  12          HG22      THR  12  -6.742 -10.807   5.106
   76   HG23  THR  12          HG23      THR  12  -5.051 -10.811   5.617
   77    H    SER  13           H        SER  13  -7.007  -8.267   2.141
   78    HA   SER  13           HA       SER  13  -9.546  -8.353   3.451
   79    HB2  SER  13           HB2      SER  13  -7.867  -6.409   3.327
   80    HB3  SER  13           HB1      SER  13  -8.431  -6.218   1.671
   81    HG   SER  13           HG       SER  13  -9.591  -5.579   4.047
   82    H    GLY  14           H        GLY  14  -8.328  -8.560   0.177
   83    HA2  GLY  14           HA2      GLY  14  -9.367  -9.344  -1.705
   84    HA3  GLY  14           HA1      GLY  14 -10.876  -9.477  -0.801
   85    H    ALA  15           H        ALA  15  -8.935  -6.622  -0.886
   86    HA   ALA  15           HA       ALA  15 -10.679  -5.318  -2.796
   87    HB1  ALA  15           HB1      ALA  15 -12.019  -5.228  -0.743
   88    HB2  ALA  15           HB2      ALA  15 -11.502  -3.620  -1.251
   89    HB3  ALA  15           HB3      ALA  15 -10.686  -4.428   0.088
   90    H    LYS  16           H        LYS  16  -9.929  -3.336  -3.447
   91    HA   LYS  16           HA       LYS  16  -7.143  -2.832  -3.127
   92    HB2  LYS  16           HB2      LYS  16  -9.350  -1.461  -4.610
   93    HB3  LYS  16           HB1      LYS  16  -7.800  -0.660  -4.400
   94    HG2  LYS  16           HG2      LYS  16  -6.657  -2.337  -5.572
   95    HG3  LYS  16           HG1      LYS  16  -8.038  -3.414  -5.572
   96    HD2  LYS  16           HD2      LYS  16  -7.928  -0.733  -6.970
   97    HD3  LYS  16           HD1      LYS  16  -7.596  -2.268  -7.768
   98    HE2  LYS  16           HE2      LYS  16  -9.903  -3.006  -7.134
   99    HE3  LYS  16           HE1      LYS  16 -10.206  -1.385  -6.512
  100    HZ1  LYS  16           HZ1      LYS  16 -11.050  -1.684  -8.738
  101    HZ2  LYS  16           HZ2      LYS  16  -9.520  -2.065  -9.318
  102    HZ3  LYS  16           HZ3      LYS  16  -9.841  -0.514  -8.733
  103    H    THR  17           H        THR  17  -6.164  -1.730  -1.770
  104    HA   THR  17           HA       THR  17  -7.587   0.283  -0.253
  105    HB   THR  17           HB       THR  17  -7.276  -1.762   1.149
  106    HG1  THR  17           HG1      THR  17  -7.177   0.266   2.106
  107   HG21  THR  17          HG21      THR  17  -5.272  -2.666   0.067
  108   HG22  THR  17          HG22      THR  17  -5.015  -2.490   1.805
  109   HG23  THR  17          HG23      THR  17  -4.321  -1.316   0.684
  110    H    CYS  18           H        CYS  18  -6.139   2.018   0.368
  111    HA   CYS  18           HA       CYS  18  -3.831   2.106  -1.436
  112    HB2  CYS  18           HB2      CYS  18  -5.497   4.452  -0.578
  113    HB3  CYS  18           HB1      CYS  18  -4.240   4.420  -1.793
  114    H    VAL  19           H        VAL  19  -2.204   3.621  -0.816
  115    HA   VAL  19           HA       VAL  19  -1.987   4.046   2.072
  116    HB   VAL  19           HB       VAL  19   0.316   3.426   0.178
  117   HG11  VAL  19          HG11      VAL  19   1.676   3.267   2.217
  118   HG12  VAL  19          HG12      VAL  19   0.277   3.750   3.176
  119   HG13  VAL  19          3HG1      VAL  19   0.975   4.873   2.007
  120   HG21  VAL  19          HG21      VAL  19  -0.904   1.642   2.292
  121   HG22  VAL  19          HG22      VAL  19   0.541   1.276   1.351
  122   HG23  VAL  19          HG23      VAL  19  -1.023   1.412   0.548
  123    HA   PRO  20           HA       PRO  20  -2.053   5.584   3.350
  124    HB2  PRO  20           HB2      PRO  20  -3.502   7.798   3.856
  125    HB3  PRO  20           HB1      PRO  20  -1.754   7.729   4.091
  126    HG2  PRO  20           HG2      PRO  20  -3.332   8.893   1.839
  127    HG3  PRO  20           HG1      PRO  20  -1.892   9.543   2.626
  128    HD2  PRO  20           HD2      PRO  20  -1.802   8.236   0.233
  129    HD3  PRO  20           HD1      PRO  20  -0.460   8.233   1.392
  130    H    ASP  21           H        ASP  21  -4.165   5.219   4.226
  131    HA   ASP  21           HA       ASP  21  -5.890   3.991   2.378
  132    HB2  ASP  21           HB2      ASP  21  -5.776   3.191   4.670
  133    HB3  ASP  21           HB1      ASP  21  -6.349   4.747   5.258
  134    H    ASN  22           H        ASN  22  -7.568   4.657   1.282
  135    HA   ASN  22           HA       ASN  22  -9.046   5.873   0.297
  136    HB2  ASN  22           HB2      ASN  22  -9.301   7.270   2.958
  137    HB3  ASN  22           HB1      ASN  22 -10.326   7.542   1.554
  138   HD21  ASN  22          HD21      ASN  22 -11.061   6.558   4.190
  139   HD22  ASN  22          HD22      ASN  22 -11.783   5.015   3.927
  140    H    CYS  23           H        CYS  23  -6.121   6.852   0.307
  141    HA   CYS  23           HA       CYS  23  -6.336   9.632  -0.162
  142    HB2  CYS  23           HB2      CYS  23  -4.263   9.422  -1.531
  143    HB3  CYS  23           HB1      CYS  23  -4.096   8.630   0.030
  144    H    ASP  24           H        ASP  24  -6.630   6.924  -2.193
  145    HA   ASP  24           HA       ASP  24  -8.005   8.509  -4.211
  146    HB2  ASP  24           HB2      ASP  24  -6.232   7.103  -5.140
  147    HB3  ASP  24           HB1      ASP  24  -6.914   5.684  -4.356
  148    H    ALA  25           H        ALA  25  -9.692   8.744  -2.852
  149    HA   ALA  25           HA       ALA  25 -11.331   6.352  -2.389
  150    HB1  ALA  25           HB1      ALA  25 -10.871   7.774  -0.435
  151    HB2  ALA  25           HB2      ALA  25 -12.588   7.637  -0.791
  152    HB3  ALA  25           HB3      ALA  25 -11.712   9.106  -1.231
  153    H    SER  26           H        SER  26 -11.508   9.534  -3.554
  154    HA   SER  26           HA       SER  26 -13.461   8.757  -5.569
  155    HB2  SER  26           HB2      SER  26 -14.750   9.559  -3.559
  156    HB3  SER  26           HB1      SER  26 -13.928  11.110  -3.702
  157    HG   SER  26           HG       SER  26 -15.550  11.556  -4.884
  158    H    ARG  27           H        ARG  27 -10.806   9.232  -5.795
  159    HA   ARG  27           HA       ARG  27 -10.235  11.935  -6.570
  160    HB2  ARG  27           HB2      ARG  27  -8.468  10.505  -5.696
  161    HB3  ARG  27           HB1      ARG  27  -8.738   9.342  -6.979
  162    HG2  ARG  27           HG2      ARG  27  -7.947  10.948  -8.619
  163    HG3  ARG  27           HG1      ARG  27  -7.707  12.143  -7.342
  164    HD2  ARG  27           HD2      ARG  27  -5.612  11.030  -7.951
  165    HD3  ARG  27           HD1      ARG  27  -6.062  10.703  -6.279
  166    HE   ARG  27           HE       ARG  27  -7.083   8.567  -7.503
  167   HH11  ARG  27          HH11      ARG  27  -3.865  10.056  -7.767
  168   HH12  ARG  27          HH12      ARG  27  -3.088   8.584  -8.133
  169   HH21  ARG  27          HH21      ARG  27  -6.001   6.591  -8.069
  170   HH22  ARG  27          HH22      ARG  27  -4.315   6.596  -8.294
  171    H    GLY  28           H        GLY  28 -11.310   9.062  -8.012
  172    HA2  GLY  28           HA2      GLY  28 -11.900  10.476 -10.497
  173    HA3  GLY  28           HA1      GLY  28 -11.114   8.893 -10.563
  174    H    THR  29           H        THR  29 -12.366   7.164 -10.583
  175    HA   THR  29           HA       THR  29 -15.005   7.472  -9.462
  176    HB   THR  29           HB       THR  29 -15.342   7.485 -11.834
  177    HG1  THR  29           HG1      THR  29 -16.965   6.327 -11.363
  178   HG21  THR  29          HG21      THR  29 -13.255   6.526 -12.604
  179   HG22  THR  29          HG22      THR  29 -14.605   5.636 -13.311
  180   HG23  THR  29          HG23      THR  29 -13.708   4.955 -11.953
  181    H    ASN  30           H        ASN  30 -15.383   6.191  -7.866
  182    HA   ASN  30           HA       ASN  30 -14.386   3.540  -7.743
  183    HB2  ASN  30           HB2      ASN  30 -12.374   4.428  -6.894
  184    HB3  ASN  30           HB1      ASN  30 -13.177   5.623  -5.899
  185   HD21  ASN  30          HD21      ASN  30 -13.725   5.086  -3.831
  186   HD22  ASN  30          HD22      ASN  30 -13.381   3.569  -3.103
  187    HA   PRO  31           HA       PRO  31 -17.758   3.894  -4.581
  188    HB2  PRO  31           HB2      PRO  31 -18.330   6.153  -3.224
  189    HB3  PRO  31           HB1      PRO  31 -16.946   5.139  -2.807
  190    HG2  PRO  31           HG2      PRO  31 -16.978   7.806  -4.026
  191    HG3  PRO  31           HG1      PRO  31 -15.636   6.944  -3.264
  192    HD2  PRO  31           HD2      PRO  31 -16.278   7.186  -6.106
  193    HD3  PRO  31           HD1      PRO  31 -14.817   6.549  -5.338
  Start of MODEL   13
    1    H1   ASP   1           HT1      ASP   1  -2.690  10.069   8.346
    2    H2   ASP   1           HT2      ASP   1  -2.432   9.245   6.893
    3    H3   ASP   1           HT3      ASP   1  -3.719  10.307   7.018
    4    HA   ASP   1           HA       ASP   1  -2.175  12.172   7.238
    5    HB2  ASP   1           HB2      ASP   1   0.187  11.807   6.853
    6    HB3  ASP   1           HB1      ASP   1  -0.295  10.754   8.178
    7    H    VAL   2           H        VAL   2  -0.949  12.949   5.183
    8    HA   VAL   2           HA       VAL   2  -2.008  11.461   2.922
    9    HB   VAL   2           HB       VAL   2  -3.169  13.620   3.091
   10   HG11  VAL   2          HG11      VAL   2  -1.992  15.749   2.728
   11   HG12  VAL   2          HG12      VAL   2  -0.453  14.897   2.890
   12   HG13  VAL   2          3HG1      VAL   2  -1.579  14.965   4.247
   13   HG21  VAL   2          HG21      VAL   2  -1.261  13.541   0.758
   14   HG22  VAL   2          HG22      VAL   2  -2.758  14.473   0.823
   15   HG23  VAL   2          HG23      VAL   2  -2.813  12.712   0.869
   16    H    SER   3           H        SER   3  -0.626  10.667   1.570
   17    HA   SER   3           HA       SER   3   1.975  11.786   1.125
   18    HB2  SER   3           HB2      SER   3   1.503   9.016   2.317
   19    HB3  SER   3           HB1      SER   3   3.045   9.538   1.640
   20    HG   SER   3           HG       SER   3   1.866  10.183   4.087
   21    HA   PRO   4           HA       PRO   4   1.265  10.260  -3.023
   22    HB2  PRO   4           HB2      PRO   4   3.479   8.282  -2.720
   23    HB3  PRO   4           HB1      PRO   4   3.143   9.418  -4.034
   24    HG2  PRO   4           HG2      PRO   4   5.057   9.968  -2.270
   25    HG3  PRO   4           HG1      PRO   4   3.973  11.248  -2.842
   26    HD2  PRO   4           HD2      PRO   4   3.978   9.793  -0.234
   27    HD3  PRO   4           HD1      PRO   4   3.594  11.492  -0.569
   28    H    CYS   5           H        CYS   5  -0.382   9.060  -3.433
   29    HA   CYS   5           HA       CYS   5  -0.972   6.774  -1.789
   30    HB2  CYS   5           HB2      CYS   5  -2.704   8.465  -2.319
   31    HB3  CYS   5           HB1      CYS   5  -2.555   7.961  -4.013
   32    H    PHE   6           H        PHE   6  -0.899   4.745  -2.375
   33    HA   PHE   6           HA       PHE   6  -0.838   4.159  -5.212
   34    HB2  PHE   6           HB2      PHE   6   1.466   4.004  -3.983
   35    HB3  PHE   6           HB1      PHE   6   0.791   2.533  -3.278
   36    HD1  PHE   6           HD1      PHE   6   1.388   4.231  -6.482
   37    HD2  PHE   6           HD2      PHE   6   0.891   0.526  -4.473
   38    HE1  PHE   6           HE1      PHE   6   1.955   3.091  -8.528
   39    HE2  PHE   6           HE2      PHE   6   1.467  -0.675  -6.535
   40    HZ   PHE   6           HZ       PHE   6   2.007   0.595  -8.590
   41    H    CYS   7           H        CYS   7  -2.165   2.458  -5.729
   42    HA   CYS   7           HA       CYS   7  -3.473   1.089  -3.478
   43    HB2  CYS   7           HB2      CYS   7  -4.747   1.731  -6.124
   44    HB3  CYS   7           HB1      CYS   7  -5.527   1.098  -4.696
   45    H    VAL   8           H        VAL   8  -3.765  -1.072  -3.710
   46    HA   VAL   8           HA       VAL   8  -3.119  -2.441  -6.209
   47    HB   VAL   8           HB       VAL   8  -1.875  -3.326  -3.579
   48   HG11  VAL   8          HG11      VAL   8  -2.215  -5.123  -5.121
   49   HG12  VAL   8          HG12      VAL   8  -0.488  -4.804  -4.952
   50   HG13  VAL   8          3HG1      VAL   8  -1.350  -4.249  -6.386
   51   HG21  VAL   8          HG21      VAL   8  -0.428  -1.888  -5.805
   52   HG22  VAL   8          HG22      VAL   8   0.338  -2.615  -4.392
   53   HG23  VAL   8          HG23      VAL   8  -0.755  -1.243  -4.197
   54    H    GLU   9           H        GLU   9  -4.134  -4.549  -6.178
   55    HA   GLU   9           HA       GLU   9  -6.354  -4.719  -4.367
   56    HB2  GLU   9           HB2      GLU   9  -6.468  -5.488  -6.759
   57    HB3  GLU   9           HB1      GLU   9  -5.400  -6.817  -6.322
   58    HG2  GLU   9           HG2      GLU   9  -7.045  -7.633  -4.728
   59    HG3  GLU   9           HG1      GLU   9  -8.113  -6.295  -5.134
   60    H    ASP  10           H        ASP  10  -6.005  -5.232  -2.380
   61    HA   ASP  10           HA       ASP  10  -3.792  -6.973  -1.608
   62    HB2  ASP  10           HB2      ASP  10  -4.106  -4.726  -0.561
   63    HB3  ASP  10           HB1      ASP  10  -5.677  -5.263   0.012
   64    H    GLU  11           H        GLU  11  -4.204  -8.974  -1.195
   65    HA   GLU  11           HA       GLU  11  -6.877  -9.972  -1.373
   66    HB2  GLU  11           HB2      GLU  11  -4.896 -11.212  -2.255
   67    HB3  GLU  11           HB1      GLU  11  -4.378 -11.495  -0.600
   68    HG2  GLU  11           HG2      GLU  11  -6.399 -12.773  -0.168
   69    HG3  GLU  11           HG1      GLU  11  -6.962 -12.446  -1.804
   70    H    THR  12           H        THR  12  -4.843  -8.999   1.209
   71    HA   THR  12           HA       THR  12  -6.075 -10.536   3.279
   72    HB   THR  12           HB       THR  12  -4.496  -7.950   3.434
   73    HG1  THR  12           HG1      THR  12  -3.586 -10.630   3.710
   74   HG21  THR  12          HG21      THR  12  -5.685  -8.431   5.520
   75   HG22  THR  12          HG22      THR  12  -3.954  -8.691   5.745
   76   HG23  THR  12          HG23      THR  12  -5.038 -10.067   5.540
   77    H    SER  13           H        SER  13  -6.422  -7.311   1.964
   78    HA   SER  13           HA       SER  13  -8.639  -6.602   3.633
   79    HB2  SER  13           HB2      SER  13  -7.034  -4.961   2.650
   80    HB3  SER  13           HB1      SER  13  -7.671  -5.390   1.066
   81    HG   SER  13           HG       SER  13  -8.499  -3.550   2.645
   82    H    GLY  14           H        GLY  14  -8.173  -7.831   0.356
   83    HA2  GLY  14           HA2      GLY  14  -9.663  -9.302  -0.700
   84    HA3  GLY  14           HA1      GLY  14 -10.963  -8.704   0.327
   85    H    ALA  15           H        ALA  15  -8.894  -6.353  -1.037
   86    HA   ALA  15           HA       ALA  15 -10.185  -5.860  -3.498
   87    HB1  ALA  15           HB1      ALA  15 -11.070  -4.137  -1.166
   88    HB2  ALA  15           HB2      ALA  15 -12.096  -5.234  -2.088
   89    HB3  ALA  15           HB3      ALA  15 -11.412  -3.806  -2.864
   90    H    LYS  16           H        LYS  16  -9.680  -3.373  -4.048
   91    HA   LYS  16           HA       LYS  16  -6.882  -3.075  -3.639
   92    HB2  LYS  16           HB2      LYS  16  -8.903  -1.340  -5.030
   93    HB3  LYS  16           HB1      LYS  16  -7.238  -0.819  -4.807
   94    HG2  LYS  16           HG2      LYS  16  -6.480  -2.801  -6.034
   95    HG3  LYS  16           HG1      LYS  16  -8.151  -3.278  -6.286
   96    HD2  LYS  16           HD2      LYS  16  -6.927  -0.679  -7.248
   97    HD3  LYS  16           HD1      LYS  16  -7.106  -2.118  -8.243
   98    HE2  LYS  16           HE2      LYS  16  -9.379  -0.582  -6.965
   99    HE3  LYS  16           HE1      LYS  16  -8.877  -0.449  -8.645
  100    HZ1  LYS  16           HZ1      LYS  16  -9.986  -2.879  -7.333
  101    HZ2  LYS  16           HZ2      LYS  16  -9.400  -2.852  -8.887
  102    HZ3  LYS  16           HZ3      LYS  16 -10.748  -1.932  -8.495
  103    H    THR  17           H        THR  17  -5.844  -2.218  -2.207
  104    HA   THR  17           HA       THR  17  -7.170  -0.462  -0.290
  105    HB   THR  17           HB       THR  17  -4.729  -2.224   0.016
  106    HG1  THR  17           HG1      THR  17  -7.127  -2.952  -0.180
  107   HG21  THR  17          HG21      THR  17  -4.973  -1.773   2.414
  108   HG22  THR  17          HG22      THR  17  -6.371  -0.748   2.084
  109   HG23  THR  17          HG23      THR  17  -4.767  -0.260   1.527
  110    H    CYS  18           H        CYS  18  -6.198   1.522   0.026
  111    HA   CYS  18           HA       CYS  18  -3.876   2.040  -1.648
  112    HB2  CYS  18           HB2      CYS  18  -5.882   4.040  -0.680
  113    HB3  CYS  18           HB1      CYS  18  -4.592   4.290  -1.814
  114    H    VAL  19           H        VAL  19  -2.455   3.455  -0.823
  115    HA   VAL  19           HA       VAL  19  -2.450   3.797   2.098
  116    HB   VAL  19           HB       VAL  19   0.029   3.337   0.398
  117   HG11  VAL  19          HG11      VAL  19   0.423   4.603   2.427
  118   HG12  VAL  19          HG12      VAL  19   1.171   3.009   2.533
  119   HG13  VAL  19          3HG1      VAL  19  -0.339   3.334   3.386
  120   HG21  VAL  19          HG21      VAL  19  -1.277   1.273   0.409
  121   HG22  VAL  19          HG22      VAL  19  -1.356   1.321   2.169
  122   HG23  VAL  19          HG23      VAL  19   0.194   1.088   1.364
  123    HA   PRO  20           HA       PRO  20  -2.410   5.340   3.482
  124    HB2  PRO  20           HB2      PRO  20  -3.811   7.559   4.002
  125    HB3  PRO  20           HB1      PRO  20  -2.048   7.508   4.178
  126    HG2  PRO  20           HG2      PRO  20  -3.720   8.592   1.940
  127    HG3  PRO  20           HG1      PRO  20  -2.284   9.299   2.701
  128    HD2  PRO  20           HD2      PRO  20  -2.182   7.980   0.340
  129    HD3  PRO  20           HD1      PRO  20  -0.841   7.983   1.499
  130    H    ASP  21           H        ASP  21  -4.495   5.080   4.452
  131    HA   ASP  21           HA       ASP  21  -6.475   3.899   2.921
  132    HB2  ASP  21           HB2      ASP  21  -6.260   3.521   5.328
  133    HB3  ASP  21           HB1      ASP  21  -6.709   5.202   5.618
  134    H    ASN  22           H        ASN  22  -7.832   4.729   1.616
  135    HA   ASN  22           HA       ASN  22  -8.965   6.157   0.383
  136    HB2  ASN  22           HB2      ASN  22  -9.850   7.020   3.133
  137    HB3  ASN  22           HB1      ASN  22 -10.523   7.666   1.636
  138   HD21  ASN  22          HD21      ASN  22 -10.236   4.811   3.651
  139   HD22  ASN  22          HD22      ASN  22 -11.506   3.934   2.893
  140    H    CYS  23           H        CYS  23  -6.517   6.857   0.195
  141    HA   CYS  23           HA       CYS  23  -5.800   9.475   0.693
  142    HB2  CYS  23           HB2      CYS  23  -4.474   9.298  -1.420
  143    HB3  CYS  23           HB1      CYS  23  -4.257   7.926  -0.334
  144    H    ASP  24           H        ASP  24  -7.849   8.132  -1.651
  145    HA   ASP  24           HA       ASP  24  -8.669  10.711  -2.704
  146    HB2  ASP  24           HB2      ASP  24  -8.394   8.890  -4.355
  147    HB3  ASP  24           HB1      ASP  24  -9.527   7.894  -3.457
  148    H    ALA  25           H        ALA  25  -9.343  11.294  -0.688
  149    HA   ALA  25           HA       ALA  25 -11.637   9.991   0.467
  150    HB1  ALA  25           HB1      ALA  25  -9.983  10.999   1.973
  151    HB2  ALA  25           HB2      ALA  25 -11.555  11.777   2.162
  152    HB3  ALA  25           HB3      ALA  25 -10.277  12.581   1.249
  153    H    SER  26           H        SER  26 -12.815  10.137  -1.414
  154    HA   SER  26           HA       SER  26 -13.566  12.675  -2.379
  155    HB2  SER  26           HB2      SER  26 -15.154  11.073  -3.749
  156    HB3  SER  26           HB1      SER  26 -13.439  11.255  -4.126
  157    HG   SER  26           HG       SER  26 -13.094   9.292  -3.568
  158    H    ARG  27           H        ARG  27 -14.260  13.374  -0.374
  159    HA   ARG  27           HA       ARG  27 -17.096  13.549  -0.315
  160    HB2  ARG  27           HB2      ARG  27 -16.529  11.612   1.242
  161    HB3  ARG  27           HB1      ARG  27 -15.583  12.742   2.193
  162    HG2  ARG  27           HG2      ARG  27 -17.539  13.968   2.806
  163    HG3  ARG  27           HG1      ARG  27 -18.528  13.036   1.676
  164    HD2  ARG  27           HD2      ARG  27 -17.099  11.947   4.097
  165    HD3  ARG  27           HD1      ARG  27 -18.836  12.228   3.949
  166    HE   ARG  27           HE       ARG  27 -18.220  10.605   1.851
  167   HH11  ARG  27          HH11      ARG  27 -17.959  10.314   5.375
  168   HH12  ARG  27          HH12      ARG  27 -18.006   8.611   5.368
  169   HH21  ARG  27          HH21      ARG  27 -18.259   8.279   1.857
  170   HH22  ARG  27          HH22      ARG  27 -18.172   7.439   3.336
  171    H    GLY  28           H        GLY  28 -16.940  15.650  -0.764
  172    HA2  GLY  28           HA2      GLY  28 -16.330  17.869  -0.486
  173    HA3  GLY  28           HA1      GLY  28 -15.281  17.404   0.870
  174    H    THR  29           H        THR  29 -15.597  16.277  -2.413
  175    HA   THR  29           HA       THR  29 -12.939  15.477  -2.681
  176    HB   THR  29           HB       THR  29 -14.922  15.870  -4.904
  177    HG1  THR  29           HG1      THR  29 -15.987  14.163  -4.182
  178   HG21  THR  29          HG21      THR  29 -12.784  13.775  -4.404
  179   HG22  THR  29          HG22      THR  29 -12.661  15.104  -5.557
  180   HG23  THR  29          HG23      THR  29 -13.860  13.834  -5.800
  181    H    ASN  30           H        ASN  30 -14.283  18.608  -3.169
  182    HA   ASN  30           HA       ASN  30 -12.334  19.296  -5.218
  183    HB2  ASN  30           HB2      ASN  30 -14.506  20.980  -3.938
  184    HB3  ASN  30           HB1      ASN  30 -13.394  21.571  -5.163
  185   HD21  ASN  30          HD21      ASN  30 -16.262  21.418  -5.282
  186   HD22  ASN  30          HD22      ASN  30 -16.670  20.416  -6.624
  187    HA   PRO  31           HA       PRO  31  -9.765  20.642  -1.759
  188    HB2  PRO  31           HB2      PRO  31  -7.441  20.413  -3.384
  189    HB3  PRO  31           HB1      PRO  31  -8.008  19.256  -2.181
  190    HG2  PRO  31           HG2      PRO  31  -7.906  18.803  -4.928
  191    HG3  PRO  31           HG1      PRO  31  -8.862  17.871  -3.765
  192    HD2  PRO  31           HD2      PRO  31  -9.722  20.075  -5.591
  193    HD3  PRO  31           HD1      PRO  31 -10.573  18.591  -5.091
  Start of MODEL   14
    1    H1   ASP   1           HT1      ASP   1   6.649  14.950   6.873
    2    H2   ASP   1           HT2      ASP   1   5.114  14.213   6.835
    3    H3   ASP   1           HT3      ASP   1   5.348  15.694   6.092
    4    HA   ASP   1           HA       ASP   1   6.719  14.786   4.444
    5    HB2  ASP   1           HB2      ASP   1   6.193  12.143   5.858
    6    HB3  ASP   1           HB1      ASP   1   6.924  12.295   4.270
    7    H    VAL   2           H        VAL   2   5.740  13.538   2.591
    8    HA   VAL   2           HA       VAL   2   2.829  13.499   2.888
    9    HB   VAL   2           HB       VAL   2   2.661  14.024   0.478
   10   HG11  VAL   2          HG11      VAL   2   2.562  15.870   2.040
   11   HG12  VAL   2          HG12      VAL   2   3.368  16.372   0.553
   12   HG13  VAL   2          3HG1      VAL   2   4.317  16.026   1.998
   13   HG21  VAL   2          HG21      VAL   2   4.644  14.782  -0.781
   14   HG22  VAL   2          HG22      VAL   2   4.765  13.088  -0.305
   15   HG23  VAL   2          HG23      VAL   2   5.664  14.320   0.578
   16    H    SER   3           H        SER   3   1.852  12.020   1.137
   17    HA   SER   3           HA       SER   3   3.578   9.731   0.655
   18    HB2  SER   3           HB2      SER   3   0.846   9.559   1.945
   19    HB3  SER   3           HB1      SER   3   1.861   8.187   1.490
   20    HG   SER   3           HG       SER   3   3.412   9.645   2.859
   21    HA   PRO   4           HA       PRO   4   1.514  10.443  -3.339
   22    HB2  PRO   4           HB2      PRO   4   3.179   8.054  -3.932
   23    HB3  PRO   4           HB1      PRO   4   3.067   9.571  -4.827
   24    HG2  PRO   4           HG2      PRO   4   5.214   8.994  -3.348
   25    HG3  PRO   4           HG1      PRO   4   4.587  10.646  -3.442
   26    HD2  PRO   4           HD2      PRO   4   4.343   8.650  -1.240
   27    HD3  PRO   4           HD1      PRO   4   4.520  10.414  -1.160
   28    H    CYS   5           H        CYS   5  -0.357   9.491  -3.891
   29    HA   CYS   5           HA       CYS   5  -1.536   7.474  -2.363
   30    HB2  CYS   5           HB2      CYS   5  -2.770   9.189  -3.744
   31    HB3  CYS   5           HB1      CYS   5  -2.239   8.223  -5.141
   32    H    PHE   6           H        PHE   6  -0.867   5.470  -2.328
   33    HA   PHE   6           HA       PHE   6  -0.475   4.169  -4.911
   34    HB2  PHE   6           HB2      PHE   6   1.620   4.486  -3.459
   35    HB3  PHE   6           HB1      PHE   6   0.900   3.292  -2.378
   36    HD1  PHE   6           HD1      PHE   6   1.301   1.030  -2.773
   37    HD2  PHE   6           HD2      PHE   6   1.727   3.854  -5.904
   38    HE1  PHE   6           HE1      PHE   6   2.131  -0.746  -4.259
   39    HE2  PHE   6           HE2      PHE   6   2.542   2.154  -7.386
   40    HZ   PHE   6           HZ       PHE   6   2.766  -0.206  -6.579
   41    H    CYS   7           H        CYS   7  -1.689   2.395  -5.209
   42    HA   CYS   7           HA       CYS   7  -3.180   1.381  -2.901
   43    HB2  CYS   7           HB2      CYS   7  -4.242   1.775  -5.689
   44    HB3  CYS   7           HB1      CYS   7  -5.096   1.034  -4.358
   45    H    VAL   8           H        VAL   8  -3.581  -0.754  -2.911
   46    HA   VAL   8           HA       VAL   8  -2.584  -2.385  -5.138
   47    HB   VAL   8           HB       VAL   8  -2.109  -3.198  -2.303
   48   HG11  VAL   8          HG11      VAL   8  -0.464  -4.755  -3.255
   49   HG12  VAL   8          HG12      VAL   8  -0.884  -4.170  -4.863
   50   HG13  VAL   8          3HG1      VAL   8  -2.098  -4.987  -3.878
   51   HG21  VAL   8          HG21      VAL   8   0.274  -2.554  -2.461
   52   HG22  VAL   8          HG22      VAL   8  -0.791  -1.152  -2.567
   53   HG23  VAL   8          HG23      VAL   8  -0.049  -1.807  -4.026
   54    H    GLU   9           H        GLU   9  -3.894  -4.079  -5.442
   55    HA   GLU   9           HA       GLU   9  -6.238  -4.287  -3.712
   56    HB2  GLU   9           HB2      GLU   9  -6.554  -4.199  -6.191
   57    HB3  GLU   9           HB1      GLU   9  -5.700  -5.735  -6.305
   58    HG2  GLU   9           HG2      GLU   9  -7.377  -6.856  -5.057
   59    HG3  GLU   9           HG1      GLU   9  -8.176  -5.339  -4.661
   60    H    ASP  10           H        ASP  10  -6.051  -5.483  -2.051
   61    HA   ASP  10           HA       ASP  10  -4.147  -7.689  -2.089
   62    HB2  ASP  10           HB2      ASP  10  -3.811  -6.168  -0.261
   63    HB3  ASP  10           HB1      ASP  10  -5.512  -6.280   0.197
   64    H    GLU  11           H        GLU  11  -4.722  -9.561  -2.354
   65    HA   GLU  11           HA       GLU  11  -7.369 -10.460  -2.677
   66    HB2  GLU  11           HB2      GLU  11  -5.317 -11.394  -3.771
   67    HB3  GLU  11           HB1      GLU  11  -4.876 -12.097  -2.226
   68    HG2  GLU  11           HG2      GLU  11  -5.888 -13.721  -3.717
   69    HG3  GLU  11           HG1      GLU  11  -6.866 -13.475  -2.268
   70    H    THR  12           H        THR  12  -5.179 -10.414   0.056
   71    HA   THR  12           HA       THR  12  -6.495 -12.439   1.550
   72    HB   THR  12           HB       THR  12  -4.685 -10.235   2.551
   73    HG1  THR  12           HG1      THR  12  -4.199 -12.772   1.376
   74   HG21  THR  12          HG21      THR  12  -5.845 -11.507   4.325
   75   HG22  THR  12          HG22      THR  12  -4.118 -11.865   4.314
   76   HG23  THR  12          HG23      THR  12  -5.261 -13.015   3.620
   77    H    SER  13           H        SER  13  -6.552  -8.910   1.652
   78    HA   SER  13           HA       SER  13  -8.630  -8.784   3.620
   79    HB2  SER  13           HB2      SER  13  -7.649  -6.675   1.730
   80    HB3  SER  13           HB1      SER  13  -8.527  -6.401   3.236
   81    HG   SER  13           HG       SER  13  -5.923  -7.491   2.900
   82    H    GLY  14           H        GLY  14  -8.433  -8.993   0.178
   83    HA2  GLY  14           HA2      GLY  14 -10.036  -9.241  -1.412
   84    HA3  GLY  14           HA1      GLY  14 -11.242  -9.335  -0.124
   85    H    ALA  15           H        ALA  15  -8.931  -6.778  -0.632
   86    HA   ALA  15           HA       ALA  15 -10.828  -4.956  -1.783
   87    HB1  ALA  15           HB1      ALA  15  -9.915  -4.535   1.063
   88    HB2  ALA  15           HB2      ALA  15 -11.558  -4.922   0.553
   89    HB3  ALA  15           HB3      ALA  15 -10.830  -3.382   0.094
   90    H    LYS  16           H        LYS  16  -9.833  -3.084  -2.511
   91    HA   LYS  16           HA       LYS  16  -6.967  -3.074  -2.616
   92    HB2  LYS  16           HB2      LYS  16  -8.354  -2.546  -4.603
   93    HB3  LYS  16           HB1      LYS  16  -8.986  -1.138  -3.762
   94    HG2  LYS  16           HG2      LYS  16  -6.706  -0.227  -3.650
   95    HG3  LYS  16           HG1      LYS  16  -6.127  -1.612  -4.562
   96    HD2  LYS  16           HD2      LYS  16  -8.175   0.385  -5.554
   97    HD3  LYS  16           HD1      LYS  16  -6.479   0.340  -6.031
   98    HE2  LYS  16           HE2      LYS  16  -6.828  -1.932  -6.939
   99    HE3  LYS  16           HE1      LYS  16  -8.531  -1.822  -6.514
  100    HZ1  LYS  16           HZ1      LYS  16  -7.105  -0.079  -8.448
  101    HZ2  LYS  16           HZ2      LYS  16  -8.744   0.059  -8.020
  102    HZ3  LYS  16           HZ3      LYS  16  -8.206  -1.306  -8.817
  103    H    THR  17           H        THR  17  -5.794  -2.258  -1.240
  104    HA   THR  17           HA       THR  17  -6.820  -0.282   0.638
  105    HB   THR  17           HB       THR  17  -5.908  -2.312   1.642
  106    HG1  THR  17           HG1      THR  17  -4.275  -1.402   2.962
  107   HG21  THR  17          HG21      THR  17  -3.526  -2.945   1.425
  108   HG22  THR  17          HG22      THR  17  -3.313  -1.670   0.225
  109   HG23  THR  17          HG23      THR  17  -4.374  -3.035  -0.119
  110    H    CYS  18           H        CYS  18  -5.681   1.673   0.911
  111    HA   CYS  18           HA       CYS  18  -3.597   2.193  -1.081
  112    HB2  CYS  18           HB2      CYS  18  -5.802   4.113  -0.414
  113    HB3  CYS  18           HB1      CYS  18  -4.498   4.361  -1.534
  114    H    VAL  19           H        VAL  19  -2.354   3.961  -0.645
  115    HA   VAL  19           HA       VAL  19  -2.372   4.962   2.060
  116    HB   VAL  19           HB       VAL  19  -0.725   3.158   2.096
  117   HG11  VAL  19          HG11      VAL  19  -0.122   2.998  -0.227
  118   HG12  VAL  19          HG12      VAL  19   1.333   3.221   0.749
  119   HG13  VAL  19          3HG1      VAL  19   0.666   4.574  -0.163
  120   HG21  VAL  19          HG21      VAL  19   0.587   5.869   2.137
  121   HG22  VAL  19          HG22      VAL  19   1.257   4.404   2.855
  122   HG23  VAL  19          HG23      VAL  19  -0.249   5.083   3.477
  123    HA   PRO  20           HA       PRO  20  -2.175   6.646   3.137
  124    HB2  PRO  20           HB2      PRO  20  -3.629   8.898   3.356
  125    HB3  PRO  20           HB1      PRO  20  -1.861   8.925   3.418
  126    HG2  PRO  20           HG2      PRO  20  -3.690   9.523   1.140
  127    HG3  PRO  20           HG1      PRO  20  -2.278  10.427   1.668
  128    HD2  PRO  20           HD2      PRO  20  -2.160   8.696  -0.411
  129    HD3  PRO  20           HD1      PRO  20  -0.783   8.953   0.674
  130    H    ASP  21           H        ASP  21  -4.268   6.564   4.157
  131    HA   ASP  21           HA       ASP  21  -6.139   4.939   2.910
  132    HB2  ASP  21           HB2      ASP  21  -5.873   5.088   5.332
  133    HB3  ASP  21           HB1      ASP  21  -6.418   6.759   5.284
  134    H    ASN  22           H        ASN  22  -7.821   5.330   1.625
  135    HA   ASN  22           HA       ASN  22  -9.410   6.249   0.423
  136    HB2  ASN  22           HB2      ASN  22  -9.347   8.443   2.494
  137    HB3  ASN  22           HB1      ASN  22 -10.466   8.325   1.141
  138   HD21  ASN  22          HD21      ASN  22 -10.810   5.440   1.322
  139   HD22  ASN  22          HD22      ASN  22 -11.726   5.138   2.723
  140    H    CYS  23           H        CYS  23  -6.427   7.134   0.015
  141    HA   CYS  23           HA       CYS  23  -6.579   9.721  -1.082
  142    HB2  CYS  23           HB2      CYS  23  -4.401   9.284  -2.080
  143    HB3  CYS  23           HB1      CYS  23  -4.460   8.713  -0.418
  144    H    ASP  24           H        ASP  24  -7.436   6.708  -2.389
  145    HA   ASP  24           HA       ASP  24  -7.290   7.799  -5.074
  146    HB2  ASP  24           HB2      ASP  24  -6.471   5.471  -4.764
  147    HB3  ASP  24           HB1      ASP  24  -8.100   4.986  -4.308
  148    H    ALA  25           H        ALA  25  -8.720   9.280  -4.527
  149    HA   ALA  25           HA       ALA  25 -11.325   8.748  -5.626
  150    HB1  ALA  25           HB1      ALA  25 -12.541   9.798  -3.711
  151    HB2  ALA  25           HB2      ALA  25 -11.035   9.765  -2.787
  152    HB3  ALA  25           HB3      ALA  25 -11.800   8.256  -3.282
  153    H    SER  26           H        SER  26  -8.832  10.132  -6.099
  154    HA   SER  26           HA       SER  26  -9.834  12.843  -6.264
  155    HB2  SER  26           HB2      SER  26  -7.044  12.028  -5.411
  156    HB3  SER  26           HB1      SER  26  -7.565  13.685  -5.711
  157    HG   SER  26           HG       SER  26  -9.079  13.442  -4.004
  158    H    ARG  27           H        ARG  27 -10.327  12.553  -8.370
  159    HA   ARG  27           HA       ARG  27  -8.465  11.516 -10.288
  160    HB2  ARG  27           HB2      ARG  27 -10.891  11.393 -10.676
  161    HB3  ARG  27           HB1      ARG  27 -10.985  13.147 -10.654
  162    HG2  ARG  27           HG2      ARG  27  -9.474  13.185 -12.638
  163    HG3  ARG  27           HG1      ARG  27  -9.604  11.428 -12.698
  164    HD2  ARG  27           HD2      ARG  27 -11.160  12.468 -14.254
  165    HD3  ARG  27           HD1      ARG  27 -12.025  11.621 -12.975
  166    HE   ARG  27           HE       ARG  27 -12.255  13.873 -11.897
  167   HH11  ARG  27          HH11      ARG  27 -11.824  13.700 -15.403
  168   HH12  ARG  27          HH12      ARG  27 -12.769  15.066 -15.733
  169   HH21  ARG  27          HH21      ARG  27 -13.553  15.735 -12.340
  170   HH22  ARG  27          HH22      ARG  27 -13.760  16.293 -13.940
  171    H    GLY  28           H        GLY  28  -9.426  14.553  -9.047
  172    HA2  GLY  28           HA2      GLY  28  -8.076  16.479  -9.007
  173    HA3  GLY  28           HA1      GLY  28  -7.195  15.854 -10.404
  174    H    THR  29           H        THR  29 -10.084  17.443  -9.320
  175    HA   THR  29           HA       THR  29 -11.425  17.627 -11.773
  176    HB   THR  29           HB       THR  29 -11.478  19.549  -9.433
  177    HG1  THR  29           HG1      THR  29 -13.392  18.124  -8.985
  178   HG21  THR  29          HG21      THR  29 -13.538  18.913 -11.563
  179   HG22  THR  29          HG22      THR  29 -12.610  20.409 -11.447
  180   HG23  THR  29          HG23      THR  29 -13.785  20.000 -10.196
  181    H    ASN  30           H        ASN  30  -9.224  19.853 -10.109
  182    HA   ASN  30           HA       ASN  30  -8.596  20.953 -12.737
  183    HB2  ASN  30           HB2      ASN  30  -9.778  22.642 -11.352
  184    HB3  ASN  30           HB1      ASN  30  -8.549  22.459 -10.110
  185   HD21  ASN  30          HD21      ASN  30  -6.525  23.392 -10.410
  186   HD22  ASN  30          HD22      ASN  30  -6.210  24.513 -11.678
  187    HA   PRO  31           HA       PRO  31  -4.760  19.034 -11.307
  188    HB2  PRO  31           HB2      PRO  31  -4.143  19.362 -14.184
  189    HB3  PRO  31           HB1      PRO  31  -4.055  17.904 -13.190
  190    HG2  PRO  31           HG2      PRO  31  -5.975  18.212 -15.026
  191    HG3  PRO  31           HG1      PRO  31  -6.300  17.416 -13.476
  192    HD2  PRO  31           HD2      PRO  31  -6.939  20.211 -14.334
  193    HD3  PRO  31           HD1      PRO  31  -7.928  19.055 -13.414
  Start of MODEL   15
    1    H1   ASP   1           HT1      ASP   1   8.114  13.834   5.151
    2    H2   ASP   1           HT2      ASP   1   9.208  12.874   6.033
    3    H3   ASP   1           HT3      ASP   1   7.661  13.223   6.660
    4    HA   ASP   1           HA       ASP   1   8.180  11.704   4.209
    5    HB2  ASP   1           HB2      ASP   1   8.887  10.428   6.181
    6    HB3  ASP   1           HB1      ASP   1   7.331  10.756   6.942
    7    H    VAL   2           H        VAL   2   6.568  11.988   2.890
    8    HA   VAL   2           HA       VAL   2   3.885  12.189   4.027
    9    HB   VAL   2           HB       VAL   2   4.577  14.262   2.800
   10   HG11  VAL   2          HG11      VAL   2   4.867  14.241   0.363
   11   HG12  VAL   2          HG12      VAL   2   4.870  12.477   0.405
   12   HG13  VAL   2          3HG1      VAL   2   6.142  13.380   1.225
   13   HG21  VAL   2          HG21      VAL   2   2.414  12.692   1.397
   14   HG22  VAL   2          HG22      VAL   2   2.640  14.437   1.280
   15   HG23  VAL   2          HG23      VAL   2   2.216  13.704   2.828
   16    H    SER   3           H        SER   3   2.320  10.823   3.019
   17    HA   SER   3           HA       SER   3   3.559   8.500   1.832
   18    HB2  SER   3           HB2      SER   3   0.714   8.959   2.741
   19    HB3  SER   3           HB1      SER   3   1.476   7.406   2.386
   20    HG   SER   3           HG       SER   3   1.340   8.028   4.640
   21    HA   PRO   4           HA       PRO   4   2.205  10.077  -2.272
   22    HB2  PRO   4           HB2      PRO   4   3.289   7.435  -3.056
   23    HB3  PRO   4           HB1      PRO   4   3.702   9.021  -3.705
   24    HG2  PRO   4           HG2      PRO   4   5.411   7.717  -2.150
   25    HG3  PRO   4           HG1      PRO   4   5.193   9.465  -1.965
   26    HD2  PRO   4           HD2      PRO   4   4.089   7.239  -0.295
   27    HD3  PRO   4           HD1      PRO   4   4.796   8.792   0.206
   28    H    CYS   5           H        CYS   5   0.510   9.392  -3.676
   29    HA   CYS   5           HA       CYS   5  -1.415   7.705  -2.428
   30    HB2  CYS   5           HB2      CYS   5  -2.083   9.680  -3.767
   31    HB3  CYS   5           HB1      CYS   5  -1.431   8.869  -5.192
   32    H    PHE   6           H        PHE   6  -0.991   5.563  -2.371
   33    HA   PHE   6           HA       PHE   6  -0.773   4.322  -4.995
   34    HB2  PHE   6           HB2      PHE   6   1.436   4.439  -3.656
   35    HB3  PHE   6           HB1      PHE   6   0.704   3.210  -2.630
   36    HD1  PHE   6           HD1      PHE   6   1.622   3.997  -6.101
   37    HD2  PHE   6           HD2      PHE   6   0.734   0.946  -3.280
   38    HE1  PHE   6           HE1      PHE   6   2.318   2.334  -7.724
   39    HE2  PHE   6           HE2      PHE   6   1.435  -0.761  -4.906
   40    HZ   PHE   6           HZ       PHE   6   2.232  -0.081  -7.139
   41    H    CYS   7           H        CYS   7  -2.344   2.886  -5.276
   42    HA   CYS   7           HA       CYS   7  -3.602   1.734  -2.896
   43    HB2  CYS   7           HB2      CYS   7  -4.768   2.153  -5.638
   44    HB3  CYS   7           HB1      CYS   7  -5.574   1.335  -4.320
   45    H    VAL   8           H        VAL   8  -4.067  -0.418  -2.892
   46    HA   VAL   8           HA       VAL   8  -2.933  -2.071  -5.040
   47    HB   VAL   8           HB       VAL   8  -2.632  -2.769  -2.139
   48   HG11  VAL   8          HG11      VAL   8  -0.923  -4.344  -2.897
   49   HG12  VAL   8          HG12      VAL   8  -1.239  -3.853  -4.560
   50   HG13  VAL   8          3HG1      VAL   8  -2.508  -4.635  -3.617
   51   HG21  VAL   8          HG21      VAL   8  -1.321  -0.732  -2.413
   52   HG22  VAL   8          HG22      VAL   8  -0.498  -1.428  -3.809
   53   HG23  VAL   8          HG23      VAL   8  -0.247  -2.114  -2.204
   54    H    GLU   9           H        GLU   9  -4.135  -3.883  -5.333
   55    HA   GLU   9           HA       GLU   9  -6.611  -4.154  -3.787
   56    HB2  GLU   9           HB2      GLU   9  -6.667  -4.312  -6.307
   57    HB3  GLU   9           HB1      GLU   9  -5.659  -5.750  -6.179
   58    HG2  GLU   9           HG2      GLU   9  -7.373  -6.871  -4.900
   59    HG3  GLU   9           HG1      GLU   9  -8.374  -5.426  -4.951
   60    H    ASP  10           H        ASP  10  -6.302  -5.180  -1.950
   61    HA   ASP  10           HA       ASP  10  -4.070  -6.985  -1.742
   62    HB2  ASP  10           HB2      ASP  10  -4.236  -5.377   0.029
   63    HB3  ASP  10           HB1      ASP  10  -5.908  -5.823   0.344
   64    H    GLU  11           H        GLU  11  -4.217  -8.953  -1.911
   65    HA   GLU  11           HA       GLU  11  -6.664 -10.324  -2.360
   66    HB2  GLU  11           HB2      GLU  11  -5.283 -12.325  -2.550
   67    HB3  GLU  11           HB1      GLU  11  -4.628 -10.995  -3.486
   68    HG2  GLU  11           HG2      GLU  11  -2.933 -10.585  -1.818
   69    HG3  GLU  11           HG1      GLU  11  -3.637 -11.806  -0.760
   70    H    THR  12           H        THR  12  -4.674  -9.792   0.413
   71    HA   THR  12           HA       THR  12  -5.433 -11.981   2.002
   72    HB   THR  12           HB       THR  12  -4.614  -9.272   3.008
   73    HG1  THR  12           HG1      THR  12  -3.049  -9.448   1.636
   74   HG21  THR  12          HG21      THR  12  -3.345 -10.610   4.634
   75   HG22  THR  12          HG22      THR  12  -3.880 -12.088   3.835
   76   HG23  THR  12          HG23      THR  12  -5.053 -11.054   4.654
   77    H    SER  13           H        SER  13  -6.486  -8.586   1.930
   78    HA   SER  13           HA       SER  13  -8.713  -8.998   3.691
   79    HB2  SER  13           HB2      SER  13  -8.184  -6.715   1.830
   80    HB3  SER  13           HB1      SER  13  -9.169  -6.688   3.295
   81    HG   SER  13           HG       SER  13  -6.368  -6.910   3.028
   82    H    GLY  14           H        GLY  14  -8.154  -8.858   0.244
   83    HA2  GLY  14           HA2      GLY  14  -9.515  -9.737  -1.406
   84    HA3  GLY  14           HA1      GLY  14 -10.803  -9.903  -0.214
   85    H    ALA  15           H        ALA  15  -9.004  -6.961  -0.550
   86    HA   ALA  15           HA       ALA  15 -10.961  -5.660  -2.218
   87    HB1  ALA  15           HB1      ALA  15 -12.134  -5.645  -0.086
   88    HB2  ALA  15           HB2      ALA  15 -11.611  -4.006  -0.495
   89    HB3  ALA  15           HB3      ALA  15 -10.719  -4.953   0.696
   90    H    LYS  16           H        LYS  16 -10.359  -3.426  -2.640
   91    HA   LYS  16           HA       LYS  16  -7.556  -2.962  -2.810
   92    HB2  LYS  16           HB2      LYS  16  -9.125  -2.179  -4.540
   93    HB3  LYS  16           HB1      LYS  16  -9.898  -1.130  -3.362
   94    HG2  LYS  16           HG2      LYS  16  -7.679   0.025  -3.076
   95    HG3  LYS  16           HG1      LYS  16  -7.094  -0.915  -4.445
   96    HD2  LYS  16           HD2      LYS  16  -9.425   1.009  -4.488
   97    HD3  LYS  16           HD1      LYS  16  -7.812   1.339  -5.112
   98    HE2  LYS  16           HE2      LYS  16  -8.094  -0.503  -6.723
   99    HE3  LYS  16           HE1      LYS  16  -9.727  -0.765  -6.110
  100    HZ1  LYS  16           HZ1      LYS  16 -10.279   1.507  -6.791
  101    HZ2  LYS  16           HZ2      LYS  16  -9.777   0.603  -8.108
  102    HZ3  LYS  16           HZ3      LYS  16  -8.735   1.714  -7.401
  103    H    THR  17           H        THR  17  -6.307  -1.960  -1.501
  104    HA   THR  17           HA       THR  17  -7.448  -0.249   0.546
  105    HB   THR  17           HB       THR  17  -6.785  -2.284   1.667
  106    HG1  THR  17           HG1      THR  17  -4.490  -0.982   2.337
  107   HG21  THR  17          HG21      THR  17  -4.498  -3.206   1.546
  108   HG22  THR  17          HG22      THR  17  -4.097  -2.004   0.317
  109   HG23  THR  17          HG23      THR  17  -5.309  -3.238  -0.021
  110    H    CYS  18           H        CYS  18  -6.267   1.628   0.852
  111    HA   CYS  18           HA       CYS  18  -4.045   1.956  -1.039
  112    HB2  CYS  18           HB2      CYS  18  -5.881   4.160  -0.188
  113    HB3  CYS  18           HB1      CYS  18  -4.624   4.227  -1.381
  114    H    VAL  19           H        VAL  19  -2.504   3.401  -0.495
  115    HA   VAL  19           HA       VAL  19  -2.253   4.046   2.352
  116    HB   VAL  19           HB       VAL  19   0.024   3.081   0.583
  117   HG11  VAL  19          HG11      VAL  19   0.748   4.639   2.289
  118   HG12  VAL  19          HG12      VAL  19   1.334   3.016   2.655
  119   HG13  VAL  19          3HG1      VAL  19  -0.044   3.675   3.535
  120   HG21  VAL  19          HG21      VAL  19   0.068   1.047   1.970
  121   HG22  VAL  19          HG22      VAL  19  -1.447   1.208   1.082
  122   HG23  VAL  19          HG23      VAL  19  -1.387   1.598   2.800
  123    HA   PRO  20           HA       PRO  20  -2.538   5.720   3.318
  124    HB2  PRO  20           HB2      PRO  20  -3.746   8.112   3.394
  125    HB3  PRO  20           HB1      PRO  20  -2.045   7.907   3.852
  126    HG2  PRO  20           HG2      PRO  20  -3.243   8.924   1.310
  127    HG3  PRO  20           HG1      PRO  20  -1.840   9.532   2.200
  128    HD2  PRO  20           HD2      PRO  20  -1.609   7.949  -0.010
  129    HD3  PRO  20           HD1      PRO  20  -0.427   7.961   1.299
  130    H    ASP  21           H        ASP  21  -4.830   5.849   3.937
  131    HA   ASP  21           HA       ASP  21  -6.527   4.692   2.013
  132    HB2  ASP  21           HB2      ASP  21  -6.868   4.279   4.414
  133    HB3  ASP  21           HB1      ASP  21  -7.249   5.986   4.642
  134    H    ASN  22           H        ASN  22  -7.724   5.535   0.530
  135    HA   ASN  22           HA       ASN  22  -8.560   6.936  -0.906
  136    HB2  ASN  22           HB2      ASN  22  -9.446   8.260   1.638
  137    HB3  ASN  22           HB1      ASN  22  -9.855   8.872   0.036
  138   HD21  ASN  22          HD21      ASN  22 -10.235   6.216   2.242
  139   HD22  ASN  22          HD22      ASN  22 -11.603   5.532   1.474
  140    H    CYS  23           H        CYS  23  -5.915   7.208  -0.701
  141    HA   CYS  23           HA       CYS  23  -5.059   9.832  -0.494
  142    HB2  CYS  23           HB2      CYS  23  -3.178   9.138  -1.955
  143    HB3  CYS  23           HB1      CYS  23  -3.498   8.010  -0.640
  144    H    ASP  24           H        ASP  24  -6.708   8.220  -3.009
  145    HA   ASP  24           HA       ASP  24  -6.724  10.704  -4.506
  146    HB2  ASP  24           HB2      ASP  24  -7.363   7.920  -5.428
  147    HB3  ASP  24           HB1      ASP  24  -8.123   9.276  -6.249
  148    H    ALA  25           H        ALA  25  -7.849  11.648  -2.964
  149    HA   ALA  25           HA       ALA  25 -10.763  11.258  -3.224
  150    HB1  ALA  25           HB1      ALA  25 -11.048  11.931  -0.902
  151    HB2  ALA  25           HB2      ALA  25  -9.301  12.093  -0.724
  152    HB3  ALA  25           HB3      ALA  25 -10.014  10.507  -1.025
  153    H    SER  26           H        SER  26  -8.437  13.129  -4.235
  154    HA   SER  26           HA       SER  26  -9.829  15.597  -3.583
  155    HB2  SER  26           HB2      SER  26  -7.001  15.241  -4.605
  156    HB3  SER  26           HB1      SER  26  -7.741  16.771  -4.126
  157    HG   SER  26           HG       SER  26  -6.453  15.086  -2.579
  158    H    ARG  27           H        ARG  27  -9.638  13.368  -5.809
  159    HA   ARG  27           HA       ARG  27 -10.907  14.940  -7.897
  160    HB2  ARG  27           HB2      ARG  27  -8.389  13.349  -8.472
  161    HB3  ARG  27           HB1      ARG  27  -9.477  13.951  -9.701
  162    HG2  ARG  27           HG2      ARG  27  -8.912  16.244  -9.058
  163    HG3  ARG  27           HG1      ARG  27  -7.828  15.612  -7.814
  164    HD2  ARG  27           HD2      ARG  27  -6.564  14.423  -9.566
  165    HD3  ARG  27           HD1      ARG  27  -7.595  15.151 -10.790
  166    HE   ARG  27           HE       ARG  27  -6.568  17.242  -9.339
  167   HH11  ARG  27          HH11      ARG  27  -5.334  14.661 -11.392
  168   HH12  ARG  27          HH12      ARG  27  -3.849  15.397 -11.727
  169   HH21  ARG  27          HH21      ARG  27  -4.548  18.346  -9.852
  170   HH22  ARG  27          HH22      ARG  27  -3.389  17.582 -10.822
  171    H    GLY  28           H        GLY  28 -12.590  13.745  -8.551
  172    HA2  GLY  28           HA2      GLY  28 -13.366  11.778  -9.679
  173    HA3  GLY  28           HA1      GLY  28 -12.253  10.832  -8.703
  174    H    THR  29           H        THR  29 -14.290   9.605  -8.444
  175    HA   THR  29           HA       THR  29 -16.006  10.722  -6.361
  176    HB   THR  29           HB       THR  29 -16.494   8.404  -8.254
  177    HG1  THR  29           HG1      THR  29 -17.742  10.955  -8.291
  178   HG21  THR  29          HG21      THR  29 -17.748   8.208  -6.156
  179   HG22  THR  29          HG22      THR  29 -18.837   8.579  -7.494
  180   HG23  THR  29          HG23      THR  29 -18.371   9.843  -6.356
  181    H    ASN  30           H        ASN  30 -15.336  10.050  -4.402
  182    HA   ASN  30           HA       ASN  30 -14.565   7.249  -4.088
  183    HB2  ASN  30           HB2      ASN  30 -12.856   7.855  -2.451
  184    HB3  ASN  30           HB1      ASN  30 -12.536   8.724  -3.945
  185   HD21  ASN  30          HD21      ASN  30 -13.361   8.997  -0.595
  186   HD22  ASN  30          HD22      ASN  30 -13.304  10.716  -0.504
  187    HA   PRO  31           HA       PRO  31 -17.649   7.599  -0.838
  188    HB2  PRO  31           HB2      PRO  31 -16.586   5.221   0.436
  189    HB3  PRO  31           HB1      PRO  31 -18.096   5.401  -0.454
  190    HG2  PRO  31           HG2      PRO  31 -15.956   3.937  -1.348
  191    HG3  PRO  31           HG1      PRO  31 -17.180   4.657  -2.401
  192    HD2  PRO  31           HD2      PRO  31 -14.403   5.581  -1.827
  193    HD3  PRO  31           HD1      PRO  31 -15.367   5.670  -3.311
  Start of MODEL   16
    1    H1   ASP   1           HT1      ASP   1  -1.052  17.841   5.152
    2    H2   ASP   1           HT2      ASP   1  -1.611  16.291   4.689
    3    H3   ASP   1           HT3      ASP   1  -2.318  17.648   4.063
    4    HA   ASP   1           HA       ASP   1  -0.448  18.228   2.808
    5    HB2  ASP   1           HB2      ASP   1   0.801  15.798   4.102
    6    HB3  ASP   1           HB1      ASP   1   1.457  16.597   2.679
    7    H    VAL   2           H        VAL   2  -0.316  17.423   0.714
    8    HA   VAL   2           HA       VAL   2  -2.209  15.302   0.192
    9    HB   VAL   2           HB       VAL   2  -0.557  16.824  -1.847
   10   HG11  VAL   2          HG11      VAL   2  -1.548  14.761  -2.654
   11   HG12  VAL   2          HG12      VAL   2  -2.316  16.162  -3.404
   12   HG13  VAL   2          3HG1      VAL   2  -3.139  15.292  -2.108
   13   HG21  VAL   2          HG21      VAL   2  -3.324  17.474  -0.847
   14   HG22  VAL   2          HG22      VAL   2  -2.482  18.300  -2.159
   15   HG23  VAL   2          HG23      VAL   2  -1.866  18.405  -0.511
   16    H    SER   3           H        SER   3  -1.231  13.504   0.890
   17    HA   SER   3           HA       SER   3   1.500  12.922   0.319
   18    HB2  SER   3           HB2      SER   3   0.241  12.235   2.407
   19    HB3  SER   3           HB1      SER   3  -0.644  11.086   1.415
   20    HG   SER   3           HG       SER   3   2.065  11.132   2.131
   21    HA   PRO   4           HA       PRO   4   0.756  11.141  -3.769
   22    HB2  PRO   4           HB2      PRO   4   3.201   9.585  -3.112
   23    HB3  PRO   4           HB1      PRO   4   2.864  10.602  -4.517
   24    HG2  PRO   4           HG2      PRO   4   4.522  11.438  -2.606
   25    HG3  PRO   4           HG1      PRO   4   3.397  12.561  -3.391
   26    HD2  PRO   4           HD2      PRO   4   3.218  11.265  -0.702
   27    HD3  PRO   4           HD1      PRO   4   2.797  12.919  -1.205
   28    H    CYS   5           H        CYS   5  -0.502   9.468  -4.211
   29    HA   CYS   5           HA       CYS   5  -0.647   7.392  -2.178
   30    HB2  CYS   5           HB2      CYS   5  -2.644   8.707  -2.411
   31    HB3  CYS   5           HB1      CYS   5  -2.741   8.296  -4.120
   32    H    PHE   6           H        PHE   6  -0.597   5.334  -2.613
   33    HA   PHE   6           HA       PHE   6  -0.717   4.426  -5.356
   34    HB2  PHE   6           HB2      PHE   6   1.099   2.765  -4.928
   35    HB3  PHE   6           HB1      PHE   6   1.684   4.416  -4.849
   36    HD1  PHE   6           HD1      PHE   6   1.240   1.296  -3.077
   37    HD2  PHE   6           HD2      PHE   6   2.238   5.411  -2.632
   38    HE1  PHE   6           HE1      PHE   6   2.256   0.811  -0.891
   39    HE2  PHE   6           HE2      PHE   6   3.249   4.933  -0.445
   40    HZ   PHE   6           HZ       PHE   6   3.262   2.631   0.428
   41    H    CYS   7           H        CYS   7  -1.799   2.464  -5.563
   42    HA   CYS   7           HA       CYS   7  -3.036   1.516  -3.079
   43    HB2  CYS   7           HB2      CYS   7  -4.282   1.651  -5.819
   44    HB3  CYS   7           HB1      CYS   7  -5.045   1.051  -4.361
   45    H    VAL   8           H        VAL   8  -3.463  -0.646  -2.917
   46    HA   VAL   8           HA       VAL   8  -2.454  -2.440  -5.023
   47    HB   VAL   8           HB       VAL   8  -2.040  -3.039  -2.118
   48   HG11  VAL   8          HG11      VAL   8  -0.363  -4.643  -2.905
   49   HG12  VAL   8          HG12      VAL   8  -0.746  -4.184  -4.564
   50   HG13  VAL   8          3HG1      VAL   8  -1.979  -4.933  -3.550
   51   HG21  VAL   8          HG21      VAL   8   0.046  -1.733  -3.878
   52   HG22  VAL   8          HG22      VAL   8   0.357  -2.405  -2.278
   53   HG23  VAL   8          HG23      VAL   8  -0.719  -1.019  -2.461
   54    H    GLU   9           H        GLU   9  -3.736  -4.251  -5.173
   55    HA   GLU   9           HA       GLU   9  -6.148  -4.264  -3.527
   56    HB2  GLU   9           HB2      GLU   9  -6.368  -4.538  -6.010
   57    HB3  GLU   9           HB1      GLU   9  -5.482  -6.054  -5.864
   58    HG2  GLU   9           HG2      GLU   9  -7.212  -6.980  -4.457
   59    HG3  GLU   9           HG1      GLU   9  -8.089  -5.456  -4.483
   60    H    ASP  10           H        ASP  10  -6.026  -5.270  -1.677
   61    HA   ASP  10           HA       ASP  10  -4.079  -7.387  -1.412
   62    HB2  ASP  10           HB2      ASP  10  -4.300  -5.746   0.445
   63    HB3  ASP  10           HB1      ASP  10  -5.957  -6.304   0.694
   64    H    GLU  11           H        GLU  11  -4.557  -9.292  -1.872
   65    HA   GLU  11           HA       GLU  11  -7.219 -10.031  -2.553
   66    HB2  GLU  11           HB2      GLU  11  -5.059 -10.768  -3.683
   67    HB3  GLU  11           HB1      GLU  11  -4.836 -11.857  -2.326
   68    HG2  GLU  11           HG2      GLU  11  -5.789 -13.070  -4.148
   69    HG3  GLU  11           HG1      GLU  11  -7.003 -12.914  -2.878
   70    H    THR  12           H        THR  12  -5.288 -10.258   0.361
   71    HA   THR  12           HA       THR  12  -6.573 -12.586   1.404
   72    HB   THR  12           HB       THR  12  -5.034 -10.411   2.840
   73    HG1  THR  12           HG1      THR  12  -3.248 -11.880   2.568
   74   HG21  THR  12          HG21      THR  12  -5.537 -13.299   3.577
   75   HG22  THR  12          HG22      THR  12  -6.290 -11.896   4.336
   76   HG23  THR  12          HG23      THR  12  -4.553 -12.160   4.494
   77    H    SER  13           H        SER  13  -6.836  -9.113   1.794
   78    HA   SER  13           HA       SER  13  -9.086  -9.273   3.596
   79    HB2  SER  13           HB2      SER  13  -7.957  -6.889   2.192
   80    HB3  SER  13           HB1      SER  13  -8.860  -6.915   3.712
   81    HG   SER  13           HG       SER  13  -6.253  -7.925   3.198
   82    H    GLY  14           H        GLY  14  -8.507  -9.098   0.223
   83    HA2  GLY  14           HA2      GLY  14  -9.952  -9.329  -1.532
   84    HA3  GLY  14           HA1      GLY  14 -11.288  -9.353  -0.386
   85    H    ALA  15           H        ALA  15  -8.987  -6.760  -0.343
   86    HA   ALA  15           HA       ALA  15 -10.775  -5.019  -1.818
   87    HB1  ALA  15           HB1      ALA  15 -11.755  -5.038   0.420
   88    HB2  ALA  15           HB2      ALA  15 -11.080  -3.456   0.025
   89    HB3  ALA  15           HB3      ALA  15 -10.204  -4.545   1.100
   90    H    LYS  16           H        LYS  16  -9.819  -3.174  -2.541
   91    HA   LYS  16           HA       LYS  16  -6.957  -3.058  -2.511
   92    HB2  LYS  16           HB2      LYS  16  -8.293  -2.561  -4.542
   93    HB3  LYS  16           HB1      LYS  16  -9.012  -1.189  -3.714
   94    HG2  LYS  16           HG2      LYS  16  -6.792  -0.154  -3.562
   95    HG3  LYS  16           HG1      LYS  16  -6.100  -1.536  -4.401
   96    HD2  LYS  16           HD2      LYS  16  -6.349   0.079  -6.087
   97    HD3  LYS  16           HD1      LYS  16  -7.732  -0.982  -6.300
   98    HE2  LYS  16           HE2      LYS  16  -7.800   1.672  -4.845
   99    HE3  LYS  16           HE1      LYS  16  -8.246   1.456  -6.525
  100    HZ1  LYS  16           HZ1      LYS  16 -10.190   1.517  -5.219
  101    HZ2  LYS  16           HZ2      LYS  16  -9.636   0.403  -4.125
  102    HZ3  LYS  16           HZ3      LYS  16 -10.030  -0.091  -5.704
  103    H    THR  17           H        THR  17  -5.714  -1.917  -1.345
  104    HA   THR  17           HA       THR  17  -6.936   0.120   0.330
  105    HB   THR  17           HB       THR  17  -6.235  -1.831   1.685
  106    HG1  THR  17           HG1      THR  17  -6.061  -0.057   2.811
  107   HG21  THR  17          HG21      THR  17  -3.450  -1.271   0.636
  108   HG22  THR  17          HG22      THR  17  -4.421  -2.698   0.276
  109   HG23  THR  17          HG23      THR  17  -3.844  -2.414   1.919
  110    H    CYS  18           H        CYS  18  -5.719   1.998   0.554
  111    HA   CYS  18           HA       CYS  18  -3.535   2.266  -1.377
  112    HB2  CYS  18           HB2      CYS  18  -5.586   4.333  -0.647
  113    HB3  CYS  18           HB1      CYS  18  -4.316   4.519  -1.815
  114    H    VAL  19           H        VAL  19  -2.173   4.061  -0.879
  115    HA   VAL  19           HA       VAL  19  -2.067   4.727   1.970
  116    HB   VAL  19           HB       VAL  19   0.359   4.154   0.226
  117   HG11  VAL  19          HG11      VAL  19   0.179   4.768   3.175
  118   HG12  VAL  19          HG12      VAL  19   0.787   5.845   1.921
  119   HG13  VAL  19          3HG1      VAL  19   1.654   4.356   2.296
  120   HG21  VAL  19          HG21      VAL  19  -0.796   2.505   2.475
  121   HG22  VAL  19          HG22      VAL  19   0.723   2.172   1.638
  122   HG23  VAL  19          HG23      VAL  19  -0.807   2.077   0.765
  123    HA   PRO  20           HA       PRO  20  -2.418   6.337   3.082
  124    HB2  PRO  20           HB2      PRO  20  -4.102   8.421   3.300
  125    HB3  PRO  20           HB1      PRO  20  -2.373   8.563   3.628
  126    HG2  PRO  20           HG2      PRO  20  -3.910   9.306   1.169
  127    HG3  PRO  20           HG1      PRO  20  -2.639  10.219   1.987
  128    HD2  PRO  20           HD2      PRO  20  -2.162   8.738  -0.236
  129    HD3  PRO  20           HD1      PRO  20  -0.945   8.961   1.036
  130    H    ASP  21           H        ASP  21  -4.485   5.801   3.832
  131    HA   ASP  21           HA       ASP  21  -6.067   4.415   1.925
  132    HB2  ASP  21           HB2      ASP  21  -5.681   3.560   4.196
  133    HB3  ASP  21           HB1      ASP  21  -6.501   4.975   4.843
  134    H    ASN  22           H        ASN  22  -7.802   5.067   0.871
  135    HA   ASN  22           HA       ASN  22  -9.425   6.270   0.007
  136    HB2  ASN  22           HB2      ASN  22  -9.578   7.382   2.786
  137    HB3  ASN  22           HB1      ASN  22 -10.542   7.992   1.435
  138   HD21  ASN  22          HD21      ASN  22 -12.142   6.752   0.618
  139   HD22  ASN  22          HD22      ASN  22 -12.765   5.357   1.415
  140    H    CYS  23           H        CYS  23  -6.662   7.093  -0.163
  141    HA   CYS  23           HA       CYS  23  -6.212   9.803  -0.067
  142    HB2  CYS  23           HB2      CYS  23  -4.563   9.364  -1.853
  143    HB3  CYS  23           HB1      CYS  23  -4.479   8.213  -0.523
  144    H    ASP  24           H        ASP  24  -7.639   7.984  -2.603
  145    HA   ASP  24           HA       ASP  24  -8.010  10.405  -4.165
  146    HB2  ASP  24           HB2      ASP  24  -7.012   8.525  -5.402
  147    HB3  ASP  24           HB1      ASP  24  -8.439   7.548  -5.078
  148    H    ALA  25           H        ALA  25  -9.430  11.137  -2.796
  149    HA   ALA  25           HA       ALA  25 -12.121   9.995  -2.703
  150    HB1  ALA  25           HB1      ALA  25 -10.923  12.460  -1.422
  151    HB2  ALA  25           HB2      ALA  25 -11.165  10.899  -0.637
  152    HB3  ALA  25           HB3      ALA  25 -12.557  11.862  -1.136
  153    H    SER  26           H        SER  26 -11.032  10.849  -5.214
  154    HA   SER  26           HA       SER  26 -12.218  13.426  -5.808
  155    HB2  SER  26           HB2      SER  26 -10.949  11.589  -7.800
  156    HB3  SER  26           HB1      SER  26 -10.957  13.350  -7.767
  157    HG   SER  26           HG       SER  26  -9.131  11.684  -6.823
  158    H    ARG  27           H        ARG  27 -13.372  10.531  -5.438
  159    HA   ARG  27           HA       ARG  27 -15.636  10.981  -7.137
  160    HB2  ARG  27           HB2      ARG  27 -14.237   9.907  -8.750
  161    HB3  ARG  27           HB1      ARG  27 -13.817   8.632  -7.617
  162    HG2  ARG  27           HG2      ARG  27 -16.054   7.795  -7.661
  163    HG3  ARG  27           HG1      ARG  27 -16.567   9.131  -8.692
  164    HD2  ARG  27           HD2      ARG  27 -15.175   8.371 -10.477
  165    HD3  ARG  27           HD1      ARG  27 -14.436   7.144  -9.447
  166    HE   ARG  27           HE       ARG  27 -17.243   6.823  -9.634
  167   HH11  ARG  27          HH11      ARG  27 -14.310   6.378 -11.553
  168   HH12  ARG  27          HH12      ARG  27 -14.823   4.932 -12.280
  169   HH21  ARG  27          HH21      ARG  27 -17.989   4.889 -10.662
  170   HH22  ARG  27          HH22      ARG  27 -16.970   4.056 -11.777
  171    H    GLY  28           H        GLY  28 -17.397  10.327  -6.139
  172    HA2  GLY  28           HA2      GLY  28 -18.807   8.894  -4.976
  173    HA3  GLY  28           HA1      GLY  28 -17.420   7.903  -4.559
  174    H    THR  29           H        THR  29 -16.726  11.092  -3.853
  175    HA   THR  29           HA       THR  29 -17.151  10.528  -1.053
  176    HB   THR  29           HB       THR  29 -15.619  12.762  -2.404
  177    HG1  THR  29           HG1      THR  29 -15.067  10.138  -1.640
  178   HG21  THR  29          HG21      THR  29 -16.280  13.279  -0.087
  179   HG22  THR  29          HG22      THR  29 -14.540  13.003  -0.194
  180   HG23  THR  29          HG23      THR  29 -15.599  11.747   0.455
  181    H    ASN  30           H        ASN  30 -19.181  10.971  -0.521
  182    HA   ASN  30           HA       ASN  30 -20.367  13.477  -1.435
  183    HB2  ASN  30           HB2      ASN  30 -21.690  10.983  -0.307
  184    HB3  ASN  30           HB1      ASN  30 -22.538  12.441  -0.799
  185   HD21  ASN  30          HD21      ASN  30 -22.689   9.664  -1.769
  186   HD22  ASN  30          HD22      ASN  30 -22.406   9.743  -3.465
  187    HA   PRO  31           HA       PRO  31 -19.830  15.047   2.689
  188    HB2  PRO  31           HB2      PRO  31 -22.256  16.647   2.358
  189    HB3  PRO  31           HB1      PRO  31 -20.587  17.178   2.543
  190    HG2  PRO  31           HG2      PRO  31 -21.947  17.382   0.217
  191    HG3  PRO  31           HG1      PRO  31 -20.191  17.168   0.291
  192    HD2  PRO  31           HD2      PRO  31 -22.326  15.189  -0.352
  193    HD3  PRO  31           HD1      PRO  31 -20.682  15.349  -1.004
  Start of MODEL   17
    1    H1   ASP   1           HT1      ASP   1  10.050  12.159   4.451
    2    H2   ASP   1           HT2      ASP   1   9.583  12.594   6.037
    3    H3   ASP   1           HT3      ASP   1   8.855  13.317   4.678
    4    HA   ASP   1           HA       ASP   1   8.688  10.456   5.266
    5    HB2  ASP   1           HB2      ASP   1   7.429  11.639   6.968
    6    HB3  ASP   1           HB1      ASP   1   6.686  12.672   5.751
    7    H    VAL   2           H        VAL   2   8.295   9.368   3.514
    8    HA   VAL   2           HA       VAL   2   7.197  10.817   1.260
    9    HB   VAL   2           HB       VAL   2   9.289   9.706   0.720
   10   HG11  VAL   2          HG11      VAL   2   9.319   7.984   2.426
   11   HG12  VAL   2          HG12      VAL   2   9.616   7.294   0.832
   12   HG13  VAL   2          3HG1      VAL   2   8.034   7.112   1.592
   13   HG21  VAL   2          HG21      VAL   2   8.602   8.287  -1.170
   14   HG22  VAL   2          HG22      VAL   2   7.633   9.758  -1.054
   15   HG23  VAL   2          HG23      VAL   2   6.969   8.219  -0.507
   16    H    SER   3           H        SER   3   5.100  10.808   1.297
   17    HA   SER   3           HA       SER   3   3.765   8.237   1.481
   18    HB2  SER   3           HB2      SER   3   2.884  10.797   2.824
   19    HB3  SER   3           HB1      SER   3   1.871   9.365   2.664
   20    HG   SER   3           HG       SER   3   4.079   9.837   4.307
   21    HA   PRO   4           HA       PRO   4   2.124  10.256  -2.282
   22    HB2  PRO   4           HB2      PRO   4   2.691   7.887  -3.750
   23    HB3  PRO   4           HB1      PRO   4   3.584   9.408  -3.832
   24    HG2  PRO   4           HG2      PRO   4   4.600   7.005  -2.869
   25    HG3  PRO   4           HG1      PRO   4   5.265   8.608  -2.515
   26    HD2  PRO   4           HD2      PRO   4   3.429   6.911  -0.882
   27    HD3  PRO   4           HD1      PRO   4   4.800   7.917  -0.351
   28    H    CYS   5           H        CYS   5   0.595   8.890  -3.945
   29    HA   CYS   5           HA       CYS   5  -1.282   7.478  -2.196
   30    HB2  CYS   5           HB2      CYS   5  -2.098   9.506  -3.480
   31    HB3  CYS   5           HB1      CYS   5  -1.658   8.577  -4.926
   32    H    PHE   6           H        PHE   6  -0.916   5.358  -2.331
   33    HA   PHE   6           HA       PHE   6  -0.499   4.295  -5.028
   34    HB2  PHE   6           HB2      PHE   6   1.528   4.312  -3.399
   35    HB3  PHE   6           HB1      PHE   6   0.665   3.020  -2.567
   36    HD1  PHE   6           HD1      PHE   6   0.580   0.816  -3.483
   37    HD2  PHE   6           HD2      PHE   6   2.222   4.044  -5.690
   38    HE1  PHE   6           HE1      PHE   6   1.474  -0.774  -5.136
   39    HE2  PHE   6           HE2      PHE   6   3.110   2.522  -7.326
   40    HZ   PHE   6           HZ       PHE   6   2.752   0.064  -7.076
   41    H    CYS   7           H        CYS   7  -1.993   2.779  -5.533
   42    HA   CYS   7           HA       CYS   7  -3.529   1.707  -3.295
   43    HB2  CYS   7           HB2      CYS   7  -4.422   2.011  -6.144
   44    HB3  CYS   7           HB1      CYS   7  -5.375   1.360  -4.833
   45    H    VAL   8           H        VAL   8  -3.917  -0.388  -3.178
   46    HA   VAL   8           HA       VAL   8  -2.517  -2.123  -5.094
   47    HB   VAL   8           HB       VAL   8  -2.565  -2.653  -2.147
   48   HG11  VAL   8          HG11      VAL   8  -0.850  -3.785  -4.325
   49   HG12  VAL   8          HG12      VAL   8  -2.180  -4.580  -3.483
   50   HG13  VAL   8          3HG1      VAL   8  -0.700  -4.174  -2.611
   51   HG21  VAL   8          HG21      VAL   8  -1.313  -0.576  -2.364
   52   HG22  VAL   8          HG22      VAL   8  -0.305  -1.293  -3.620
   53   HG23  VAL   8          HG23      VAL   8  -0.212  -1.897  -1.966
   54    H    GLU   9           H        GLU   9  -3.579  -3.962  -5.459
   55    HA   GLU   9           HA       GLU   9  -6.317  -4.246  -4.476
   56    HB2  GLU   9           HB2      GLU   9  -5.640  -4.591  -6.894
   57    HB3  GLU   9           HB1      GLU   9  -4.670  -5.960  -6.380
   58    HG2  GLU   9           HG2      GLU   9  -6.754  -6.692  -7.332
   59    HG3  GLU   9           HG1      GLU   9  -6.689  -7.087  -5.614
   60    H    ASP  10           H        ASP  10  -6.343  -5.100  -2.452
   61    HA   ASP  10           HA       ASP  10  -4.098  -6.760  -1.692
   62    HB2  ASP  10           HB2      ASP  10  -4.429  -4.874  -0.225
   63    HB3  ASP  10           HB1      ASP  10  -6.110  -5.346   0.038
   64    H    GLU  11           H        GLU  11  -4.202  -8.710  -1.470
   65    HA   GLU  11           HA       GLU  11  -6.675 -10.147  -1.802
   66    HB2  GLU  11           HB2      GLU  11  -3.849 -11.119  -1.455
   67    HB3  GLU  11           HB1      GLU  11  -5.229 -12.121  -1.877
   68    HG2  GLU  11           HG2      GLU  11  -5.534 -10.909  -3.946
   69    HG3  GLU  11           HG1      GLU  11  -4.246  -9.795  -3.511
   70    H    THR  12           H        THR  12  -4.899  -9.009   0.828
   71    HA   THR  12           HA       THR  12  -5.488 -11.076   2.710
   72    HB   THR  12           HB       THR  12  -4.917  -8.165   3.325
   73    HG1  THR  12           HG1      THR  12  -3.247  -8.596   2.124
   74   HG21  THR  12          HG21      THR  12  -4.276 -10.724   4.819
   75   HG22  THR  12          HG22      THR  12  -5.564  -9.594   5.228
   76   HG23  THR  12          HG23      THR  12  -3.880  -9.090   5.357
   77    H    SER  13           H        SER  13  -6.777  -7.791   2.143
   78    HA   SER  13           HA       SER  13  -9.080  -8.266   3.786
   79    HB2  SER  13           HB2      SER  13  -7.956  -6.044   3.583
   80    HB3  SER  13           HB1      SER  13  -8.450  -6.018   1.892
   81    HG   SER  13           HG       SER  13 -10.422  -6.388   3.843
   82    H    GLY  14           H        GLY  14  -8.239  -8.609   0.434
   83    HA2  GLY  14           HA2      GLY  14  -9.446  -9.707  -1.222
   84    HA3  GLY  14           HA1      GLY  14 -10.844  -9.743  -0.148
   85    H    ALA  15           H        ALA  15  -9.134  -6.811  -0.585
   86    HA   ALA  15           HA       ALA  15 -10.875  -5.753  -2.589
   87    HB1  ALA  15           HB1      ALA  15 -10.994  -4.748   0.262
   88    HB2  ALA  15           HB2      ALA  15 -12.297  -5.564  -0.602
   89    HB3  ALA  15           HB3      ALA  15 -11.750  -3.971  -1.128
   90    H    LYS  16           H        LYS  16 -10.071  -3.768  -3.318
   91    HA   LYS  16           HA       LYS  16  -7.319  -3.306  -2.995
   92    HB2  LYS  16           HB2      LYS  16  -8.521  -2.834  -5.072
   93    HB3  LYS  16           HB1      LYS  16  -9.477  -1.606  -4.255
   94    HG2  LYS  16           HG2      LYS  16  -7.428  -0.312  -3.839
   95    HG3  LYS  16           HG1      LYS  16  -6.499  -1.531  -4.704
   96    HD2  LYS  16           HD2      LYS  16  -8.710   0.164  -5.852
   97    HD3  LYS  16           HD1      LYS  16  -6.982   0.405  -6.106
   98    HE2  LYS  16           HE2      LYS  16  -6.896  -1.882  -7.128
   99    HE3  LYS  16           HE1      LYS  16  -8.650  -1.939  -6.996
  100    HZ1  LYS  16           HZ1      LYS  16  -7.091   0.045  -8.523
  101    HZ2  LYS  16           HZ2      LYS  16  -8.759   0.055  -8.401
  102    HZ3  LYS  16           HZ3      LYS  16  -7.976  -1.209  -9.196
  103    H    THR  17           H        THR  17  -6.277  -1.861  -1.796
  104    HA   THR  17           HA       THR  17  -7.773   0.109  -0.299
  105    HB   THR  17           HB       THR  17  -7.390  -1.777   1.233
  106    HG1  THR  17           HG1      THR  17  -7.238   0.221   2.210
  107   HG21  THR  17          HG21      THR  17  -4.448  -1.428   0.625
  108   HG22  THR  17          HG22      THR  17  -5.450  -2.796   0.147
  109   HG23  THR  17          HG23      THR  17  -5.120  -2.503   1.854
  110    H    CYS  18           H        CYS  18  -6.468   1.980   0.110
  111    HA   CYS  18           HA       CYS  18  -4.075   1.991  -1.549
  112    HB2  CYS  18           HB2      CYS  18  -5.765   4.399  -0.876
  113    HB3  CYS  18           HB1      CYS  18  -4.417   4.327  -1.978
  114    H    VAL  19           H        VAL  19  -2.470   3.468  -0.885
  115    HA   VAL  19           HA       VAL  19  -2.296   3.780   2.021
  116    HB   VAL  19           HB       VAL  19  -0.027   3.066   0.119
  117   HG11  VAL  19          HG11      VAL  19   1.321   2.728   2.114
  118   HG12  VAL  19          HG12      VAL  19  -0.051   3.160   3.124
  119   HG13  VAL  19          3HG1      VAL  19   0.679   4.375   2.074
  120   HG21  VAL  19          HG21      VAL  19  -0.005   0.849   1.184
  121   HG22  VAL  19          HG22      VAL  19  -1.539   1.162   0.373
  122   HG23  VAL  19          HG23      VAL  19  -1.427   1.294   2.127
  123    HA   PRO  20           HA       PRO  20  -2.286   5.260   3.330
  124    HB2  PRO  20           HB2      PRO  20  -3.504   7.558   3.984
  125    HB3  PRO  20           HB1      PRO  20  -1.762   7.341   4.175
  126    HG2  PRO  20           HG2      PRO  20  -3.273   8.708   1.985
  127    HG3  PRO  20           HG1      PRO  20  -1.801   9.233   2.819
  128    HD2  PRO  20           HD2      PRO  20  -1.745   8.044   0.373
  129    HD3  PRO  20           HD1      PRO  20  -0.444   7.873   1.562
  130    H    ASP  21           H        ASP  21  -4.416   5.100   4.167
  131    HA   ASP  21           HA       ASP  21  -6.261   4.126   2.327
  132    HB2  ASP  21           HB2      ASP  21  -6.297   3.387   4.649
  133    HB3  ASP  21           HB1      ASP  21  -6.723   5.017   5.163
  134    H    ASN  22           H        ASN  22  -7.593   5.018   1.084
  135    HA   ASN  22           HA       ASN  22  -8.853   6.392  -0.023
  136    HB2  ASN  22           HB2      ASN  22  -9.361   7.620   2.684
  137    HB3  ASN  22           HB1      ASN  22 -10.149   8.099   1.180
  138   HD21  ASN  22          HD21      ASN  22 -10.350   5.378   0.089
  139   HD22  ASN  22          HD22      ASN  22 -11.568   4.615   1.022
  140    H    CYS  23           H        CYS  23  -6.008   6.996   0.066
  141    HA   CYS  23           HA       CYS  23  -5.806   9.818  -0.212
  142    HB2  CYS  23           HB2      CYS  23  -3.760   9.369  -1.566
  143    HB3  CYS  23           HB1      CYS  23  -3.767   8.409  -0.092
  144    H    ASP  24           H        ASP  24  -6.908   7.273  -2.089
  145    HA   ASP  24           HA       ASP  24  -7.757   8.960  -4.314
  146    HB2  ASP  24           HB2      ASP  24  -6.685   6.823  -4.944
  147    HB3  ASP  24           HB1      ASP  24  -7.798   5.941  -3.913
  148    H    ALA  25           H        ALA  25  -9.112  10.017  -2.868
  149    HA   ALA  25           HA       ALA  25 -11.392   8.514  -1.786
  150    HB1  ALA  25           HB1      ALA  25 -10.609  11.387  -1.311
  151    HB2  ALA  25           HB2      ALA  25 -10.221  10.031  -0.254
  152    HB3  ALA  25           HB3      ALA  25 -11.901  10.516  -0.488
  153    H    SER  26           H        SER  26 -10.563  10.401  -4.373
  154    HA   SER  26           HA       SER  26 -13.345  10.680  -5.134
  155    HB2  SER  26           HB2      SER  26 -12.776  12.977  -6.043
  156    HB3  SER  26           HB1      SER  26 -12.826  12.854  -4.285
  157    HG   SER  26           HG       SER  26 -10.681  13.276  -5.999
  158    H    ARG  27           H        ARG  27 -13.645  10.736  -7.380
  159    HA   ARG  27           HA       ARG  27 -11.757   9.185  -8.862
  160    HB2  ARG  27           HB2      ARG  27 -14.172   8.852  -9.055
  161    HB3  ARG  27           HB1      ARG  27 -14.367  10.501  -9.606
  162    HG2  ARG  27           HG2      ARG  27 -13.140   9.961 -11.641
  163    HG3  ARG  27           HG1      ARG  27 -12.934   8.302 -11.062
  164    HD2  ARG  27           HD2      ARG  27 -14.821   8.534 -12.637
  165    HD3  ARG  27           HD1      ARG  27 -15.313   7.955 -11.044
  166    HE   ARG  27           HE       ARG  27 -15.529  10.802 -11.740
  167   HH11  ARG  27          HH11      ARG  27 -17.140   7.772 -10.785
  168   HH12  ARG  27          HH12      ARG  27 -18.618   8.521 -10.400
  169   HH21  ARG  27          HH21      ARG  27 -17.560  11.795 -11.216
  170   HH22  ARG  27          HH22      ARG  27 -18.876  10.858 -10.684
  171    H    GLY  28           H        GLY  28  -9.911  10.334  -9.328
  172    HA2  GLY  28           HA2      GLY  28 -10.312  12.928 -10.659
  173    HA3  GLY  28           HA1      GLY  28  -8.899  12.520  -9.692
  174    H    THR  29           H        THR  29  -8.908  13.441 -12.404
  175    HA   THR  29           HA       THR  29  -8.255  11.087 -13.919
  176    HB   THR  29           HB       THR  29  -8.133  13.994 -14.771
  177    HG1  THR  29           HG1      THR  29 -10.186  12.277 -14.326
  178   HG21  THR  29          HG21      THR  29  -8.244  11.422 -16.379
  179   HG22  THR  29          HG22      THR  29  -6.820  12.443 -16.188
  180   HG23  THR  29          HG23      THR  29  -8.233  13.054 -17.050
  181    H    ASN  30           H        ASN  30  -6.552  10.536 -12.471
  182    HA   ASN  30           HA       ASN  30  -4.041  11.420 -13.465
  183    HB2  ASN  30           HB2      ASN  30  -3.030  12.017 -11.310
  184    HB3  ASN  30           HB1      ASN  30  -4.423  13.049 -11.578
  185   HD21  ASN  30          HD21      ASN  30  -6.189  12.854 -10.214
  186   HD22  ASN  30          HD22      ASN  30  -6.128  11.954  -8.736
  187    HA   PRO  31           HA       PRO  31  -3.536   7.125 -12.391
  188    HB2  PRO  31           HB2      PRO  31  -0.650   7.337 -12.516
  189    HB3  PRO  31           HB1      PRO  31  -1.739   6.638 -13.716
  190    HG2  PRO  31           HG2      PRO  31  -0.324   8.922 -14.155
  191    HG3  PRO  31           HG1      PRO  31  -1.899   8.604 -14.900
  192    HD2  PRO  31           HD2      PRO  31  -1.259  10.242 -12.469
  193    HD3  PRO  31           HD1      PRO  31  -2.323  10.631 -13.844
  Start of MODEL   18
    1    H1   ASP   1           HT1      ASP   1   4.477  17.851   1.490
    2    H2   ASP   1           HT2      ASP   1   5.910  18.574   0.946
    3    H3   ASP   1           HT3      ASP   1   5.936  17.059   1.701
    4    HA   ASP   1           HA       ASP   1   4.585  17.602  -0.850
    5    HB2  ASP   1           HB2      ASP   1   6.998  17.726  -1.171
    6    HB3  ASP   1           HB1      ASP   1   7.226  16.242  -0.256
    7    H    VAL   2           H        VAL   2   3.008  16.195  -1.160
    8    HA   VAL   2           HA       VAL   2   2.929  13.834   0.500
    9    HB   VAL   2           HB       VAL   2   0.888  15.231   0.252
   10   HG11  VAL   2          HG11      VAL   2   1.104  15.918  -2.065
   11   HG12  VAL   2          HG12      VAL   2  -0.458  15.156  -1.783
   12   HG13  VAL   2          3HG1      VAL   2   0.824  14.260  -2.596
   13   HG21  VAL   2          HG21      VAL   2   0.597  12.405  -0.760
   14   HG22  VAL   2          HG22      VAL   2  -0.715  13.386  -0.108
   15   HG23  VAL   2          HG23      VAL   2   0.632  12.917   0.926
   16    H    SER   3           H        SER   3   3.083  11.804  -0.195
   17    HA   SER   3           HA       SER   3   4.288  11.301  -2.734
   18    HB2  SER   3           HB2      SER   3   5.057  10.126  -0.716
   19    HB3  SER   3           HB1      SER   3   3.441   9.480  -0.461
   20    HG   SER   3           HG       SER   3   4.001   7.919  -1.621
   21    HA   PRO   4           HA       PRO   4   0.478  10.397  -4.943
   22    HB2  PRO   4           HB2      PRO   4   2.160   8.315  -6.253
   23    HB3  PRO   4           HB1      PRO   4   1.157   9.577  -6.981
   24    HG2  PRO   4           HG2      PRO   4   3.797   9.809  -6.953
   25    HG3  PRO   4           HG1      PRO   4   2.757  11.216  -6.666
   26    HD2  PRO   4           HD2      PRO   4   4.309   9.580  -4.706
   27    HD3  PRO   4           HD1      PRO   4   4.026  11.333  -4.758
   28    H    CYS   5           H        CYS   5  -1.099   9.075  -4.425
   29    HA   CYS   5           HA       CYS   5  -0.862   7.287  -2.332
   30    HB2  CYS   5           HB2      CYS   5  -2.884   8.533  -2.797
   31    HB3  CYS   5           HB1      CYS   5  -3.093   7.644  -4.302
   32    H    PHE   6           H        PHE   6  -0.312   5.303  -2.225
   33    HA   PHE   6           HA       PHE   6   0.044   3.687  -4.603
   34    HB2  PHE   6           HB2      PHE   6   0.790   3.370  -1.724
   35    HB3  PHE   6           HB1      PHE   6   0.801   1.985  -2.807
   36    HD1  PHE   6           HD1      PHE   6   2.331   1.825  -4.565
   37    HD2  PHE   6           HD2      PHE   6   2.404   5.149  -1.949
   38    HE1  PHE   6           HE1      PHE   6   4.521   2.350  -5.379
   39    HE2  PHE   6           HE2      PHE   6   4.645   5.742  -2.746
   40    HZ   PHE   6           HZ       PHE   6   5.740   4.352  -4.481
   41    H    CYS   7           H        CYS   7  -1.712   2.664  -5.345
   42    HA   CYS   7           HA       CYS   7  -3.282   1.280  -3.306
   43    HB2  CYS   7           HB2      CYS   7  -4.282   2.158  -5.974
   44    HB3  CYS   7           HB1      CYS   7  -5.204   1.370  -4.728
   45    H    VAL   8           H        VAL   8  -3.374  -0.714  -3.512
   46    HA   VAL   8           HA       VAL   8  -2.840  -2.109  -6.009
   47    HB   VAL   8           HB       VAL   8  -1.296  -2.766  -3.457
   48   HG11  VAL   8          HG11      VAL   8  -0.069  -4.429  -4.788
   49   HG12  VAL   8          HG12      VAL   8  -1.104  -4.066  -6.169
   50   HG13  VAL   8          3HG1      VAL   8  -1.796  -4.781  -4.714
   51   HG21  VAL   8          HG21      VAL   8   0.763  -2.170  -4.665
   52   HG22  VAL   8          HG22      VAL   8  -0.327  -0.792  -4.504
   53   HG23  VAL   8          HG23      VAL   8  -0.209  -1.649  -6.041
   54    H    GLU   9           H        GLU   9  -3.677  -4.223  -5.912
   55    HA   GLU   9           HA       GLU   9  -6.052  -4.398  -4.279
   56    HB2  GLU   9           HB2      GLU   9  -5.957  -5.069  -6.683
   57    HB3  GLU   9           HB1      GLU   9  -4.948  -6.427  -6.196
   58    HG2  GLU   9           HG2      GLU   9  -6.720  -7.337  -4.868
   59    HG3  GLU   9           HG1      GLU   9  -7.728  -5.924  -5.180
   60    H    ASP  10           H        ASP  10  -6.056  -5.203  -2.302
   61    HA   ASP  10           HA       ASP  10  -3.921  -7.074  -1.589
   62    HB2  ASP  10           HB2      ASP  10  -4.083  -5.003  -0.211
   63    HB3  ASP  10           HB1      ASP  10  -5.722  -5.466   0.235
   64    H    GLU  11           H        GLU  11  -4.529  -9.063  -1.750
   65    HA   GLU  11           HA       GLU  11  -7.223  -9.869  -1.959
   66    HB2  GLU  11           HB2      GLU  11  -5.302 -10.954  -3.076
   67    HB3  GLU  11           HB1      GLU  11  -4.781 -11.575  -1.523
   68    HG2  GLU  11           HG2      GLU  11  -6.877 -12.824  -1.313
   69    HG3  GLU  11           HG1      GLU  11  -7.378 -12.232  -2.893
   70    H    THR  12           H        THR  12  -5.203  -9.435   0.785
   71    HA   THR  12           HA       THR  12  -6.531 -11.407   2.415
   72    HB   THR  12           HB       THR  12  -4.737  -9.103   3.241
   73    HG1  THR  12           HG1      THR  12  -3.590 -10.458   1.899
   74   HG21  THR  12          HG21      THR  12  -5.465 -11.659   4.701
   75   HG22  THR  12          HG22      THR  12  -6.048 -10.046   5.111
   76   HG23  THR  12          HG23      THR  12  -4.335 -10.433   5.276
   77    H    SER  13           H        SER  13  -6.622  -7.948   1.925
   78    HA   SER  13           HA       SER  13  -8.717  -7.473   3.818
   79    HB2  SER  13           HB2      SER  13  -7.759  -5.734   1.577
   80    HB3  SER  13           HB1      SER  13  -8.577  -5.213   3.054
   81    HG   SER  13           HG       SER  13  -5.979  -6.297   2.764
   82    H    GLY  14           H        GLY  14  -8.464  -8.331   0.482
   83    HA2  GLY  14           HA2      GLY  14 -10.089  -9.057  -0.975
   84    HA3  GLY  14           HA1      GLY  14 -11.296  -8.760   0.275
   85    H    ALA  15           H        ALA  15  -8.989  -6.384  -0.733
   86    HA   ALA  15           HA       ALA  15 -10.708  -5.037  -2.562
   87    HB1  ALA  15           HB1      ALA  15 -11.064  -3.024  -1.202
   88    HB2  ALA  15           HB2      ALA  15 -10.321  -3.826   0.181
   89    HB3  ALA  15           HB3      ALA  15 -11.842  -4.431  -0.475
   90    H    LYS  16           H        LYS  16  -9.706  -3.113  -3.359
   91    HA   LYS  16           HA       LYS  16  -6.847  -3.137  -3.334
   92    HB2  LYS  16           HB2      LYS  16  -8.245  -2.696  -5.364
   93    HB3  LYS  16           HB1      LYS  16  -8.846  -1.251  -4.581
   94    HG2  LYS  16           HG2      LYS  16  -6.648  -0.258  -4.660
   95    HG3  LYS  16           HG1      LYS  16  -5.979  -1.739  -5.353
   96    HD2  LYS  16           HD2      LYS  16  -7.441  -1.517  -7.297
   97    HD3  LYS  16           HD1      LYS  16  -8.148  -0.057  -6.614
   98    HE2  LYS  16           HE2      LYS  16  -6.009   1.071  -6.767
   99    HE3  LYS  16           HE1      LYS  16  -5.249  -0.396  -7.377
  100    HZ1  LYS  16           HZ1      LYS  16  -5.811   1.177  -9.152
  101    HZ2  LYS  16           HZ2      LYS  16  -7.439   1.085  -8.736
  102    HZ3  LYS  16           HZ3      LYS  16  -6.644  -0.277  -9.325
  103    H    THR  17           H        THR  17  -5.749  -2.375  -1.816
  104    HA   THR  17           HA       THR  17  -6.945  -0.413  -0.051
  105    HB   THR  17           HB       THR  17  -5.984  -2.533   0.919
  106    HG1  THR  17           HG1      THR  17  -5.743  -1.340   2.569
  107   HG21  THR  17          HG21      THR  17  -3.540  -2.786   1.069
  108   HG22  THR  17          HG22      THR  17  -3.330  -1.363   0.049
  109   HG23  THR  17          HG23      THR  17  -4.075  -2.817  -0.613
  110    H    CYS  18           H        CYS  18  -5.750   1.456   0.512
  111    HA   CYS  18           HA       CYS  18  -3.692   2.144  -1.436
  112    HB2  CYS  18           HB2      CYS  18  -5.839   3.981  -0.440
  113    HB3  CYS  18           HB1      CYS  18  -4.524   4.402  -1.492
  114    H    VAL  19           H        VAL  19  -2.400   3.834  -0.791
  115    HA   VAL  19           HA       VAL  19  -2.193   4.353   2.083
  116    HB   VAL  19           HB       VAL  19   0.208   3.894   0.280
  117   HG11  VAL  19          HG11      VAL  19   1.478   3.897   2.383
  118   HG12  VAL  19          HG12      VAL  19  -0.004   4.278   3.257
  119   HG13  VAL  19          3HG1      VAL  19   0.649   5.424   2.084
  120   HG21  VAL  19          HG21      VAL  19   0.608   1.802   1.514
  121   HG22  VAL  19          HG22      VAL  19  -0.918   1.752   0.628
  122   HG23  VAL  19          HG23      VAL  19  -0.918   2.028   2.370
  123    HA   PRO  20           HA       PRO  20  -2.333   5.993   3.307
  124    HB2  PRO  20           HB2      PRO  20  -4.067   8.026   3.581
  125    HB3  PRO  20           HB1      PRO  20  -2.329   8.215   3.841
  126    HG2  PRO  20           HG2      PRO  20  -3.987   8.895   1.447
  127    HG3  PRO  20           HG1      PRO  20  -2.700   9.844   2.195
  128    HD2  PRO  20           HD2      PRO  20  -2.292   8.373  -0.029
  129    HD3  PRO  20           HD1      PRO  20  -1.026   8.596   1.194
  130    H    ASP  21           H        ASP  21  -4.376   5.432   4.254
  131    HA   ASP  21           HA       ASP  21  -5.947   3.829   2.577
  132    HB2  ASP  21           HB2      ASP  21  -5.714   3.391   4.988
  133    HB3  ASP  21           HB1      ASP  21  -6.651   4.840   5.335
  134    H    ASN  22           H        ASN  22  -7.590   4.223   1.342
  135    HA   ASN  22           HA       ASN  22  -8.971   5.367   0.043
  136    HB2  ASN  22           HB2      ASN  22 -10.033   6.098   2.770
  137    HB3  ASN  22           HB1      ASN  22 -10.819   6.544   1.260
  138   HD21  ASN  22          HD21      ASN  22 -10.030   3.887   3.413
  139   HD22  ASN  22          HD22      ASN  22 -11.085   2.764   2.663
  140    H    CYS  23           H        CYS  23  -6.641   6.622   0.032
  141    HA   CYS  23           HA       CYS  23  -6.394   9.271   0.583
  142    HB2  CYS  23           HB2      CYS  23  -5.025   9.315  -1.552
  143    HB3  CYS  23           HB1      CYS  23  -4.581   8.093  -0.357
  144    H    ASP  24           H        ASP  24  -7.952   7.908  -2.138
  145    HA   ASP  24           HA       ASP  24  -8.876  10.535  -2.953
  146    HB2  ASP  24           HB2      ASP  24  -8.951   7.885  -4.381
  147    HB3  ASP  24           HB1      ASP  24  -9.927   9.241  -4.924
  148    H    ALA  25           H        ALA  25 -10.029  10.686  -1.094
  149    HA   ALA  25           HA       ALA  25 -12.703   9.467  -1.300
  150    HB1  ALA  25           HB1      ALA  25 -13.044  10.127   1.049
  151    HB2  ALA  25           HB2      ALA  25 -11.427  10.833   1.081
  152    HB3  ALA  25           HB3      ALA  25 -11.626   9.097   0.867
  153    H    SER  26           H        SER  26 -10.910  12.251  -1.569
  154    HA   SER  26           HA       SER  26 -13.279  13.843  -2.216
  155    HB2  SER  26           HB2      SER  26 -10.648  14.798  -1.045
  156    HB3  SER  26           HB1      SER  26 -12.035  15.810  -1.454
  157    HG   SER  26           HG       SER  26 -13.198  14.877   0.124
  158    H    ARG  27           H        ARG  27 -13.127  14.862  -4.202
  159    HA   ARG  27           HA       ARG  27 -12.503  15.268  -6.326
  160    HB2  ARG  27           HB2      ARG  27  -9.702  15.067  -5.198
  161    HB3  ARG  27           HB1      ARG  27 -10.065  15.609  -6.838
  162    HG2  ARG  27           HG2      ARG  27 -11.288  17.497  -5.937
  163    HG3  ARG  27           HG1      ARG  27 -10.989  16.925  -4.297
  164    HD2  ARG  27           HD2      ARG  27  -8.569  17.175  -4.688
  165    HD3  ARG  27           HD1      ARG  27  -8.914  17.814  -6.295
  166    HE   ARG  27           HE       ARG  27 -10.381  19.364  -4.629
  167   HH11  ARG  27          HH11      ARG  27  -6.915  18.603  -4.892
  168   HH12  ARG  27          HH12      ARG  27  -6.410  20.051  -4.181
  169   HH21  ARG  27          HH21      ARG  27  -9.650  21.385  -3.650
  170   HH22  ARG  27          HH22      ARG  27  -7.992  21.669  -3.472
  171    H    GLY  28           H        GLY  28 -12.774  12.619  -5.131
  172    HA2  GLY  28           HA2      GLY  28 -12.438  11.057  -7.437
  173    HA3  GLY  28           HA1      GLY  28 -11.240  10.631  -6.206
  174    H    THR  29           H        THR  29 -13.878   9.409  -7.258
  175    HA   THR  29           HA       THR  29 -15.273   9.314  -4.730
  176    HB   THR  29           HB       THR  29 -17.047   8.126  -6.173
  177    HG1  THR  29           HG1      THR  29 -15.302   8.008  -7.930
  178   HG21  THR  29          HG21      THR  29 -17.908  10.284  -6.991
  179   HG22  THR  29          HG22      THR  29 -16.328  11.017  -6.713
  180   HG23  THR  29          HG23      THR  29 -17.281  10.430  -5.351
  181    H    ASN  30           H        ASN  30 -14.785   7.725  -3.433
  182    HA   ASN  30           HA       ASN  30 -14.530   5.051  -4.475
  183    HB2  ASN  30           HB2      ASN  30 -12.278   6.401  -3.009
  184    HB3  ASN  30           HB1      ASN  30 -12.529   4.675  -2.781
  185   HD21  ASN  30          HD21      ASN  30 -10.431   6.360  -4.087
  186   HD22  ASN  30          HD22      ASN  30 -10.222   5.681  -5.659
  187    HA   PRO  31           HA       PRO  31 -15.751   4.405  -0.031
  188    HB2  PRO  31           HB2      PRO  31 -15.466   6.582   1.760
  189    HB3  PRO  31           HB1      PRO  31 -14.396   5.188   1.620
  190    HG2  PRO  31           HG2      PRO  31 -13.712   7.824   0.994
  191    HG3  PRO  31           HG1      PRO  31 -12.834   6.376   0.476
  192    HD2  PRO  31           HD2      PRO  31 -14.848   8.008  -1.009
  193    HD3  PRO  31           HD1      PRO  31 -13.363   7.241  -1.609
  Start of MODEL   19
    1    H1   ASP   1           HT1      ASP   1   0.865  12.618   7.912
    2    H2   ASP   1           HT2      ASP   1  -0.291  12.187   6.726
    3    H3   ASP   1           HT3      ASP   1   0.465  13.663   6.647
    4    HA   ASP   1           HA       ASP   1   2.535  12.723   6.144
    5    HB2  ASP   1           HB2      ASP   1   2.337  10.651   7.442
    6    HB3  ASP   1           HB1      ASP   1   1.072  10.080   6.358
    7    H    VAL   2           H        VAL   2   2.471  13.622   4.192
    8    HA   VAL   2           HA       VAL   2   0.468  12.597   2.383
    9    HB   VAL   2           HB       VAL   2   0.324  15.005   2.646
   10   HG11  VAL   2          HG11      VAL   2   2.079  16.553   1.905
   11   HG12  VAL   2          HG12      VAL   2   3.163  15.182   1.672
   12   HG13  VAL   2          3HG1      VAL   2   2.572  15.572   3.286
   13   HG21  VAL   2          HG21      VAL   2   0.452  15.727   0.291
   14   HG22  VAL   2          HG22      VAL   2  -0.283  14.134   0.466
   15   HG23  VAL   2          HG23      VAL   2   1.386  14.278  -0.083
   16    H    SER   3           H        SER   3   1.448  10.733   1.925
   17    HA   SER   3           HA       SER   3   3.855  10.877   0.284
   18    HB2  SER   3           HB2      SER   3   2.368   8.495   1.433
   19    HB3  SER   3           HB1      SER   3   3.845   8.393   0.478
   20    HG   SER   3           HG       SER   3   3.454   9.278   3.106
   21    HA   PRO   4           HA       PRO   4   1.609  10.420  -3.519
   22    HB2  PRO   4           HB2      PRO   4   3.274   8.038  -4.148
   23    HB3  PRO   4           HB1      PRO   4   3.032   9.510  -5.102
   24    HG2  PRO   4           HG2      PRO   4   5.314   9.151  -3.833
   25    HG3  PRO   4           HG1      PRO   4   4.525  10.738  -3.790
   26    HD2  PRO   4           HD2      PRO   4   4.539   8.592  -1.701
   27    HD3  PRO   4           HD1      PRO   4   4.787  10.341  -1.515
   28    H    CYS   5           H        CYS   5  -0.095   9.322  -4.330
   29    HA   CYS   5           HA       CYS   5  -1.410   7.526  -2.578
   30    HB2  CYS   5           HB2      CYS   5  -2.515   9.256  -4.080
   31    HB3  CYS   5           HB1      CYS   5  -2.091   8.151  -5.402
   32    H    PHE   6           H        PHE   6  -1.001   5.417  -2.509
   33    HA   PHE   6           HA       PHE   6  -0.704   4.087  -5.079
   34    HB2  PHE   6           HB2      PHE   6   1.494   4.378  -3.740
   35    HB3  PHE   6           HB1      PHE   6   0.816   3.165  -2.658
   36    HD1  PHE   6           HD1      PHE   6   0.423   0.869  -3.459
   37    HD2  PHE   6           HD2      PHE   6   2.224   3.839  -5.900
   38    HE1  PHE   6           HE1      PHE   6   1.178  -0.867  -5.003
   39    HE2  PHE   6           HE2      PHE   6   2.981   2.142  -7.444
   40    HZ   PHE   6           HZ       PHE   6   2.465  -0.252  -7.007
   41    H    CYS   7           H        CYS   7  -2.141   2.480  -5.274
   42    HA   CYS   7           HA       CYS   7  -3.469   1.595  -2.817
   43    HB2  CYS   7           HB2      CYS   7  -4.623   1.592  -5.592
   44    HB3  CYS   7           HB1      CYS   7  -5.460   1.193  -4.108
   45    H    VAL   8           H        VAL   8  -3.802  -0.501  -2.510
   46    HA   VAL   8           HA       VAL   8  -2.595  -2.372  -4.437
   47    HB   VAL   8           HB       VAL   8  -2.455  -2.693  -1.453
   48   HG11  VAL   8          HG11      VAL   8  -2.309  -4.768  -2.636
   49   HG12  VAL   8          HG12      VAL   8  -0.745  -4.392  -1.912
   50   HG13  VAL   8          3HG1      VAL   8  -1.002  -4.138  -3.639
   51   HG21  VAL   8          HG21      VAL   8  -0.058  -2.099  -1.534
   52   HG22  VAL   8          HG22      VAL   8  -1.101  -0.749  -1.989
   53   HG23  VAL   8          HG23      VAL   8  -0.246  -1.662  -3.232
   54    H    GLU   9           H        GLU   9  -3.687  -4.214  -4.611
   55    HA   GLU   9           HA       GLU   9  -6.316  -4.388  -3.275
   56    HB2  GLU   9           HB2      GLU   9  -6.208  -4.438  -5.805
   57    HB3  GLU   9           HB1      GLU   9  -5.278  -5.923  -5.670
   58    HG2  GLU   9           HG2      GLU   9  -7.170  -6.975  -4.509
   59    HG3  GLU   9           HG1      GLU   9  -8.100  -5.493  -4.722
   60    H    ASP  10           H        ASP  10  -5.998  -5.396  -1.447
   61    HA   ASP  10           HA       ASP  10  -3.943  -7.405  -1.161
   62    HB2  ASP  10           HB2      ASP  10  -4.540  -5.927   0.759
   63    HB3  ASP  10           HB1      ASP  10  -6.149  -6.639   0.770
   64    H    GLU  11           H        GLU  11  -4.282  -9.269  -2.070
   65    HA   GLU  11           HA       GLU  11  -6.879 -10.182  -2.752
   66    HB2  GLU  11           HB2      GLU  11  -4.728 -10.626  -3.983
   67    HB3  GLU  11           HB1      GLU  11  -4.370 -11.831  -2.759
   68    HG2  GLU  11           HG2      GLU  11  -5.333 -12.921  -4.672
   69    HG3  GLU  11           HG1      GLU  11  -6.464 -12.994  -3.320
   70    H    THR  12           H        THR  12  -5.130 -10.445   0.137
   71    HA   THR  12           HA       THR  12  -6.163 -13.004   0.885
   72    HB   THR  12           HB       THR  12  -4.891 -10.863   2.611
   73    HG1  THR  12           HG1      THR  12  -3.791 -12.994   1.088
   74   HG21  THR  12          HG21      THR  12  -4.278 -12.753   4.064
   75   HG22  THR  12          HG22      THR  12  -5.093 -13.868   2.969
   76   HG23  THR  12          HG23      THR  12  -6.030 -12.677   3.870
   77    H    SER  13           H        SER  13  -6.821  -9.623   1.770
   78    HA   SER  13           HA       SER  13  -9.265 -10.365   3.138
   79    HB2  SER  13           HB2      SER  13  -7.842  -8.526   4.012
   80    HB3  SER  13           HB1      SER  13  -8.110  -7.661   2.498
   81    HG   SER  13           HG       SER  13 -10.477  -8.175   3.304
   82    H    GLY  14           H        GLY  14  -8.268  -9.660   0.004
   83    HA2  GLY  14           HA2      GLY  14  -9.415  -9.513  -1.964
   84    HA3  GLY  14           HA1      GLY  14 -10.890  -9.874  -1.070
   85    H    ALA  15           H        ALA  15  -8.731  -7.239  -0.325
   86    HA   ALA  15           HA       ALA  15 -10.784  -5.395  -1.274
   87    HB1  ALA  15           HB1      ALA  15 -11.264  -5.796   1.060
   88    HB2  ALA  15           HB2      ALA  15 -10.711  -4.135   0.822
   89    HB3  ALA  15           HB3      ALA  15  -9.620  -5.347   1.496
   90    H    LYS  16           H        LYS  16 -10.068  -3.621  -2.149
   91    HA   LYS  16           HA       LYS  16  -7.229  -3.111  -2.384
   92    HB2  LYS  16           HB2      LYS  16  -8.838  -3.155  -4.319
   93    HB3  LYS  16           HB1      LYS  16  -9.598  -1.726  -3.642
   94    HG2  LYS  16           HG2      LYS  16  -7.372  -0.581  -3.836
   95    HG3  LYS  16           HG1      LYS  16  -6.807  -1.988  -4.721
   96    HD2  LYS  16           HD2      LYS  16  -9.180  -0.303  -5.540
   97    HD3  LYS  16           HD1      LYS  16  -7.578  -0.200  -6.264
   98    HE2  LYS  16           HE2      LYS  16  -7.767  -2.482  -7.084
   99    HE3  LYS  16           HE1      LYS  16  -9.292  -2.691  -6.232
  100    HZ1  LYS  16           HZ1      LYS  16 -10.280  -1.011  -7.647
  101    HZ2  LYS  16           HZ2      LYS  16  -9.667  -2.235  -8.596
  102    HZ3  LYS  16           HZ3      LYS  16  -8.842  -0.777  -8.466
  103    H    THR  17           H        THR  17  -6.237  -1.681  -1.249
  104    HA   THR  17           HA       THR  17  -7.749   0.418   0.109
  105    HB   THR  17           HB       THR  17  -7.274  -1.370   1.759
  106    HG1  THR  17           HG1      THR  17  -7.210   0.582   2.721
  107   HG21  THR  17          HG21      THR  17  -4.963  -1.940   2.374
  108   HG22  THR  17          HG22      THR  17  -4.361  -0.906   1.078
  109   HG23  THR  17          HG23      THR  17  -5.292  -2.354   0.691
  110    H    CYS  18           H        CYS  18  -6.435   2.337   0.523
  111    HA   CYS  18           HA       CYS  18  -4.081   2.396  -1.216
  112    HB2  CYS  18           HB2      CYS  18  -5.883   4.706  -0.653
  113    HB3  CYS  18           HB1      CYS  18  -4.559   4.679  -1.764
  114    H    VAL  19           H        VAL  19  -2.519   3.836  -0.683
  115    HA   VAL  19           HA       VAL  19  -2.414   4.696   2.099
  116    HB   VAL  19           HB       VAL  19  -0.074   3.444   0.608
  117   HG11  VAL  19          HG11      VAL  19  -0.353   4.236   3.498
  118   HG12  VAL  19          HG12      VAL  19   0.561   5.095   2.263
  119   HG13  VAL  19          3HG1      VAL  19   1.063   3.477   2.766
  120   HG21  VAL  19          HG21      VAL  19  -0.265   1.508   2.093
  121   HG22  VAL  19          HG22      VAL  19  -1.732   1.702   1.131
  122   HG23  VAL  19          HG23      VAL  19  -1.714   2.192   2.824
  123    HA   PRO  20           HA       PRO  20  -2.097   6.366   3.161
  124    HB2  PRO  20           HB2      PRO  20  -3.102   8.869   3.294
  125    HB3  PRO  20           HB1      PRO  20  -1.382   8.530   3.518
  126    HG2  PRO  20           HG2      PRO  20  -2.825   9.468   1.078
  127    HG3  PRO  20           HG1      PRO  20  -1.319  10.086   1.757
  128    HD2  PRO  20           HD2      PRO  20  -1.358   8.387  -0.331
  129    HD3  PRO  20           HD1      PRO  20  -0.074   8.329   0.893
  130    H    ASP  21           H        ASP  21  -4.267   6.695   4.060
  131    HA   ASP  21           HA       ASP  21  -6.222   5.444   2.454
  132    HB2  ASP  21           HB2      ASP  21  -6.157   5.164   4.892
  133    HB3  ASP  21           HB1      ASP  21  -6.562   6.865   5.092
  134    H    ASN  22           H        ASN  22  -7.775   6.185   1.180
  135    HA   ASN  22           HA       ASN  22  -9.050   7.436  -0.016
  136    HB2  ASN  22           HB2      ASN  22  -9.069   9.079   2.483
  137    HB3  ASN  22           HB1      ASN  22  -9.832   9.634   0.992
  138   HD21  ASN  22          HD21      ASN  22 -11.745   8.735   0.348
  139   HD22  ASN  22          HD22      ASN  22 -12.591   7.541   1.262
  140    H    CYS  23           H        CYS  23  -6.031   7.868  -0.162
  141    HA   CYS  23           HA       CYS  23  -5.723  10.498  -1.138
  142    HB2  CYS  23           HB2      CYS  23  -3.729   9.588  -2.326
  143    HB3  CYS  23           HB1      CYS  23  -3.770   9.114  -0.633
  144    H    ASP  24           H        ASP  24  -6.861   7.606  -2.457
  145    HA   ASP  24           HA       ASP  24  -7.507   8.818  -5.029
  146    HB2  ASP  24           HB2      ASP  24  -6.287   6.661  -5.161
  147    HB3  ASP  24           HB1      ASP  24  -7.534   5.903  -4.180
  148    H    ALA  25           H        ALA  25  -9.116   9.986  -4.115
  149    HA   ALA  25           HA       ALA  25 -11.483   8.408  -3.349
  150    HB1  ALA  25           HB1      ALA  25 -10.802  11.170  -2.366
  151    HB2  ALA  25           HB2      ALA  25 -10.582   9.673  -1.462
  152    HB3  ALA  25           HB3      ALA  25 -12.204  10.208  -1.901
  153    H    SER  26           H        SER  26 -10.308  10.248  -5.795
  154    HA   SER  26           HA       SER  26 -12.752  11.689  -6.348
  155    HB2  SER  26           HB2      SER  26 -10.216  11.458  -7.983
  156    HB3  SER  26           HB1      SER  26 -11.544  12.580  -8.274
  157    HG   SER  26           HG       SER  26 -10.902  12.897  -5.781
  158    H    ARG  27           H        ARG  27 -14.395  10.759  -7.340
  159    HA   ARG  27           HA       ARG  27 -13.953   8.311  -8.830
  160    HB2  ARG  27           HB2      ARG  27 -16.564   9.686  -8.107
  161    HB3  ARG  27           HB1      ARG  27 -16.453   8.197  -9.023
  162    HG2  ARG  27           HG2      ARG  27 -17.016   7.542  -6.841
  163    HG3  ARG  27           HG1      ARG  27 -15.294   7.208  -6.980
  164    HD2  ARG  27           HD2      ARG  27 -15.754   8.221  -4.839
  165    HD3  ARG  27           HD1      ARG  27 -14.827   9.348  -5.828
  166    HE   ARG  27           HE       ARG  27 -17.613   9.774  -6.103
  167   HH11  ARG  27          HH11      ARG  27 -14.871  10.453  -3.977
  168   HH12  ARG  27          HH12      ARG  27 -15.625  11.745  -3.173
  169   HH21  ARG  27          HH21      ARG  27 -18.655  11.599  -5.003
  170   HH22  ARG  27          HH22      ARG  27 -17.811  12.409  -3.762
  171    H    GLY  28           H        GLY  28 -13.070   8.840 -10.709
  172    HA2  GLY  28           HA2      GLY  28 -14.729  10.160 -12.644
  173    HA3  GLY  28           HA1      GLY  28 -13.252  11.029 -12.238
  174    H    THR  29           H        THR  29 -12.832  10.612 -14.539
  175    HA   THR  29           HA       THR  29 -12.120   7.901 -15.228
  176    HB   THR  29           HB       THR  29 -11.713  10.440 -16.832
  177    HG1  THR  29           HG1      THR  29 -13.843  10.459 -16.620
  178   HG21  THR  29          HG21      THR  29 -12.075   7.545 -17.666
  179   HG22  THR  29          HG22      THR  29 -10.548   8.427 -17.683
  180   HG23  THR  29          HG23      THR  29 -11.859   8.911 -18.760
  181    H    ASN  30           H        ASN  30 -10.592  10.834 -14.182
  182    HA   ASN  30           HA       ASN  30  -7.931   9.717 -14.664
  183    HB2  ASN  30           HB2      ASN  30  -8.842  12.540 -14.125
  184    HB3  ASN  30           HB1      ASN  30  -7.158  12.053 -14.053
  185   HD21  ASN  30          HD21      ASN  30  -6.640  13.475 -15.704
  186   HD22  ASN  30          HD22      ASN  30  -7.028  13.157 -17.353
  187    HA   PRO  31           HA       PRO  31  -7.732   9.329 -10.199
  188    HB2  PRO  31           HB2      PRO  31  -5.783   7.475 -10.137
  189    HB3  PRO  31           HB1      PRO  31  -7.434   7.083 -10.631
  190    HG2  PRO  31           HG2      PRO  31  -4.994   7.292 -12.272
  191    HG3  PRO  31           HG1      PRO  31  -6.494   6.415 -12.600
  192    HD2  PRO  31           HD2      PRO  31  -5.685   9.005 -13.586
  193    HD3  PRO  31           HD1      PRO  31  -7.163   8.083 -13.943
  Start of MODEL   20
    1    H1   ASP   1           HT1      ASP   1   1.363  11.406   8.467
    2    H2   ASP   1           HT2      ASP   1   1.943  10.150   9.431
    3    H3   ASP   1           HT3      ASP   1   0.964   9.817   8.081
    4    HA   ASP   1           HA       ASP   1   3.666  11.009   7.995
    5    HB2  ASP   1           HB2      ASP   1   3.601   8.560   8.542
    6    HB3  ASP   1           HB1      ASP   1   2.673   8.294   7.071
    7    H    VAL   2           H        VAL   2   4.150  11.933   6.017
    8    HA   VAL   2           HA       VAL   2   1.962  12.167   4.152
    9    HB   VAL   2           HB       VAL   2   4.768  13.342   3.972
   10   HG11  VAL   2          HG11      VAL   2   3.807  14.899   2.352
   11   HG12  VAL   2          HG12      VAL   2   2.258  14.066   2.477
   12   HG13  VAL   2          3HG1      VAL   2   3.659  13.224   1.812
   13   HG21  VAL   2          HG21      VAL   2   3.617  14.172   5.955
   14   HG22  VAL   2          HG22      VAL   2   2.223  14.622   4.974
   15   HG23  VAL   2          HG23      VAL   2   3.765  15.446   4.745
   16    H    SER   3           H        SER   3   1.746  10.203   3.284
   17    HA   SER   3           HA       SER   3   4.063   8.894   2.093
   18    HB2  SER   3           HB2      SER   3   1.273   7.838   2.491
   19    HB3  SER   3           HB1      SER   3   2.734   6.911   2.150
   20    HG   SER   3           HG       SER   3   3.327   8.228   4.321
   21    HA   PRO   4           HA       PRO   4   2.491   9.969  -2.026
   22    HB2  PRO   4           HB2      PRO   4   3.761   7.428  -2.837
   23    HB3  PRO   4           HB1      PRO   4   4.062   9.047  -3.463
   24    HG2  PRO   4           HG2      PRO   4   5.860   7.835  -1.926
   25    HG3  PRO   4           HG1      PRO   4   5.531   9.569  -1.741
   26    HD2  PRO   4           HD2      PRO   4   4.585   7.278  -0.053
   27    HD3  PRO   4           HD1      PRO   4   5.187   8.877   0.436
   28    H    CYS   5           H        CYS   5   0.641   9.401  -3.027
   29    HA   CYS   5           HA       CYS   5  -1.106   7.498  -1.973
   30    HB2  CYS   5           HB2      CYS   5  -1.799   9.521  -3.280
   31    HB3  CYS   5           HB1      CYS   5  -1.137   8.702  -4.705
   32    H    PHE   6           H        PHE   6  -0.743   5.392  -2.089
   33    HA   PHE   6           HA       PHE   6  -0.304   4.298  -4.764
   34    HB2  PHE   6           HB2      PHE   6   1.792   4.277  -3.265
   35    HB3  PHE   6           HB1      PHE   6   0.942   3.058  -2.317
   36    HD1  PHE   6           HD1      PHE   6   2.115   3.881  -5.667
   37    HD2  PHE   6           HD2      PHE   6   0.936   0.807  -3.007
   38    HE1  PHE   6           HE1      PHE   6   2.846   2.252  -7.290
   39    HE2  PHE   6           HE2      PHE   6   1.674  -0.885  -4.627
   40    HZ   PHE   6           HZ       PHE   6   2.633  -0.181  -6.785
   41    H    CYS   7           H        CYS   7  -1.691   2.634  -5.229
   42    HA   CYS   7           HA       CYS   7  -3.268   1.566  -2.999
   43    HB2  CYS   7           HB2      CYS   7  -4.295   2.259  -5.739
   44    HB3  CYS   7           HB1      CYS   7  -5.214   1.490  -4.467
   45    H    VAL   8           H        VAL   8  -3.840  -0.507  -3.147
   46    HA   VAL   8           HA       VAL   8  -3.033  -2.099  -5.472
   47    HB   VAL   8           HB       VAL   8  -2.460  -3.072  -2.679
   48   HG11  VAL   8          HG11      VAL   8  -2.608  -4.781  -4.319
   49   HG12  VAL   8          HG12      VAL   8  -0.930  -4.636  -3.791
   50   HG13  VAL   8          3HG1      VAL   8  -1.426  -3.967  -5.343
   51   HG21  VAL   8          HG21      VAL   8  -0.057  -2.564  -2.940
   52   HG22  VAL   8          HG22      VAL   8  -1.042  -1.100  -2.902
   53   HG23  VAL   8          HG23      VAL   8  -0.419  -1.703  -4.436
   54    H    GLU   9           H        GLU   9  -4.410  -3.951  -5.641
   55    HA   GLU   9           HA       GLU   9  -6.687  -3.924  -3.824
   56    HB2  GLU   9           HB2      GLU   9  -6.995  -4.084  -6.352
   57    HB3  GLU   9           HB1      GLU   9  -6.276  -5.687  -6.242
   58    HG2  GLU   9           HG2      GLU   9  -8.058  -6.388  -4.726
   59    HG3  GLU   9           HG1      GLU   9  -8.770  -4.784  -4.827
   60    H    ASP  10           H        ASP  10  -6.323  -4.982  -2.019
   61    HA   ASP  10           HA       ASP  10  -4.287  -7.032  -2.018
   62    HB2  ASP  10           HB2      ASP  10  -4.373  -5.210  -0.285
   63    HB3  ASP  10           HB1      ASP  10  -5.848  -5.952   0.326
   64    H    GLU  11           H        GLU  11  -4.889  -8.988  -2.442
   65    HA   GLU  11           HA       GLU  11  -7.634  -9.827  -2.359
   66    HB2  GLU  11           HB2      GLU  11  -5.932 -10.528  -4.098
   67    HB3  GLU  11           HB1      GLU  11  -5.195 -11.535  -2.868
   68    HG2  GLU  11           HG2      GLU  11  -6.626 -12.861  -4.318
   69    HG3  GLU  11           HG1      GLU  11  -7.260 -12.834  -2.674
   70    H    THR  12           H        THR  12  -5.057  -9.861  -0.122
   71    HA   THR  12           HA       THR  12  -5.941 -12.191   1.296
   72    HB   THR  12           HB       THR  12  -4.064  -9.998   2.208
   73    HG1  THR  12           HG1      THR  12  -2.607 -10.860   0.970
   74   HG21  THR  12          HG21      THR  12  -3.122 -11.757   3.655
   75   HG22  THR  12          HG22      THR  12  -4.310 -12.904   3.036
   76   HG23  THR  12          HG23      THR  12  -4.838 -11.523   3.997
   77    H    SER  13           H        SER  13  -6.165  -8.697   1.632
   78    HA   SER  13           HA       SER  13  -7.916  -8.781   3.905
   79    HB2  SER  13           HB2      SER  13  -6.347  -6.879   3.402
   80    HB3  SER  13           HB1      SER  13  -7.328  -6.549   1.978
   81    HG   SER  13           HG       SER  13  -8.121  -6.375   4.695
   82    H    GLY  14           H        GLY  14  -8.210  -8.597   0.424
   83    HA2  GLY  14           HA2      GLY  14 -10.036  -9.373  -0.800
   84    HA3  GLY  14           HA1      GLY  14 -11.025  -9.285   0.653
   85    H    ALA  15           H        ALA  15  -8.996  -6.623  -0.128
   86    HA   ALA  15           HA       ALA  15 -11.015  -5.176  -1.546
   87    HB1  ALA  15           HB1      ALA  15 -10.372  -4.361   1.288
   88    HB2  ALA  15           HB2      ALA  15 -11.909  -5.021   0.726
   89    HB3  ALA  15           HB3      ALA  15 -11.358  -3.448   0.146
   90    H    LYS  16           H        LYS  16 -10.263  -3.175  -2.294
   91    HA   LYS  16           HA       LYS  16  -7.484  -2.844  -2.647
   92    HB2  LYS  16           HB2      LYS  16  -9.198  -1.979  -4.243
   93    HB3  LYS  16           HB1      LYS  16  -9.740  -0.885  -2.978
   94    HG2  LYS  16           HG2      LYS  16  -7.624   0.275  -3.024
   95    HG3  LYS  16           HG1      LYS  16  -7.032  -0.829  -4.257
   96    HD2  LYS  16           HD2      LYS  16  -7.714   1.252  -5.308
   97    HD3  LYS  16           HD1      LYS  16  -8.806  -0.034  -5.796
   98    HE2  LYS  16           HE2      LYS  16  -9.474   1.867  -3.540
   99    HE3  LYS  16           HE1      LYS  16  -9.804   2.259  -5.220
  100    HZ1  LYS  16           HZ1      LYS  16 -10.984  -0.065  -3.728
  101    HZ2  LYS  16           HZ2      LYS  16 -11.229   0.294  -5.342
  102    HZ3  LYS  16           HZ3      LYS  16 -11.762   1.353  -4.170
  103    H    THR  17           H        THR  17  -6.059  -1.586  -1.689
  104    HA   THR  17           HA       THR  17  -6.948  -0.001   0.548
  105    HB   THR  17           HB       THR  17  -6.160  -2.147   1.473
  106    HG1  THR  17           HG1      THR  17  -5.699  -0.504   2.810
  107   HG21  THR  17          HG21      THR  17  -4.639  -2.839  -0.323
  108   HG22  THR  17          HG22      THR  17  -3.805  -2.851   1.231
  109   HG23  THR  17          HG23      THR  17  -3.536  -1.529   0.094
  110    H    CYS  18           H        CYS  18  -5.604   1.783   0.876
  111    HA   CYS  18           HA       CYS  18  -3.543   2.250  -1.151
  112    HB2  CYS  18           HB2      CYS  18  -5.624   4.258  -0.285
  113    HB3  CYS  18           HB1      CYS  18  -4.309   4.541  -1.396
  114    H    VAL  19           H        VAL  19  -2.247   4.144  -0.516
  115    HA   VAL  19           HA       VAL  19  -2.334   4.710   2.307
  116    HB   VAL  19           HB       VAL  19  -0.584   3.015   2.067
  117   HG11  VAL  19          HG11      VAL  19   0.765   4.863   0.119
  118   HG12  VAL  19          HG12      VAL  19   0.030   3.303  -0.243
  119   HG13  VAL  19          3HG1      VAL  19   1.462   3.385   0.785
  120   HG21  VAL  19          HG21      VAL  19   0.566   5.747   2.589
  121   HG22  VAL  19          HG22      VAL  19   1.310   4.221   3.067
  122   HG23  VAL  19          HG23      VAL  19  -0.238   4.701   3.759
  123    HA   PRO  20           HA       PRO  20  -2.761   6.245   3.492
  124    HB2  PRO  20           HB2      PRO  20  -4.571   8.268   3.551
  125    HB3  PRO  20           HB1      PRO  20  -2.908   8.464   4.112
  126    HG2  PRO  20           HG2      PRO  20  -4.137   9.227   1.497
  127    HG3  PRO  20           HG1      PRO  20  -3.014  10.154   2.493
  128    HD2  PRO  20           HD2      PRO  20  -2.178   8.782   0.319
  129    HD3  PRO  20           HD1      PRO  20  -1.159   8.946   1.755
  130    H    ASP  21           H        ASP  21  -5.005   5.696   3.982
  131    HA   ASP  21           HA       ASP  21  -6.149   4.036   2.091
  132    HB2  ASP  21           HB2      ASP  21  -6.633   3.748   4.442
  133    HB3  ASP  21           HB1      ASP  21  -7.446   5.313   4.479
  134    H    ASN  22           H        ASN  22  -7.397   4.256   0.446
  135    HA   ASN  22           HA       ASN  22  -8.352   5.164  -1.294
  136    HB2  ASN  22           HB2      ASN  22 -10.076   6.074   0.961
  137    HB3  ASN  22           HB1      ASN  22 -10.414   6.583  -0.695
  138   HD21  ASN  22          HD21      ASN  22 -11.142   5.098  -2.177
  139   HD22  ASN  22          HD22      ASN  22 -11.613   3.494  -1.735
  140    H    CYS  23           H        CYS  23  -6.040   6.635  -0.524
  141    HA   CYS  23           HA       CYS  23  -6.354   9.369  -0.856
  142    HB2  CYS  23           HB2      CYS  23  -4.042   9.330  -1.809
  143    HB3  CYS  23           HB1      CYS  23  -4.186   8.384  -0.333
  144    H    ASP  24           H        ASP  24  -6.368   6.817  -3.095
  145    HA   ASP  24           HA       ASP  24  -6.696   8.562  -5.344
  146    HB2  ASP  24           HB2      ASP  24  -5.352   6.643  -5.800
  147    HB3  ASP  24           HB1      ASP  24  -6.598   5.557  -5.197
  148    H    ALA  25           H        ALA  25  -8.368   9.469  -4.516
  149    HA   ALA  25           HA       ALA  25 -10.913   8.284  -5.416
  150    HB1  ALA  25           HB1      ALA  25 -10.440  10.304  -3.197
  151    HB2  ALA  25           HB2      ALA  25 -10.993   8.644  -2.982
  152    HB3  ALA  25           HB3      ALA  25 -12.028   9.822  -3.791
  153    H    SER  26           H        SER  26  -8.629   9.689  -6.570
  154    HA   SER  26           HA       SER  26  -9.415  12.381  -7.159
  155    HB2  SER  26           HB2      SER  26  -7.126  10.636  -8.067
  156    HB3  SER  26           HB1      SER  26  -7.229  12.375  -8.329
  157    HG   SER  26           HG       SER  26  -7.630  12.282  -5.890
  158    H    ARG  27           H        ARG  27  -9.760  13.095  -9.402
  159    HA   ARG  27           HA       ARG  27 -10.637  10.947 -11.156
  160    HB2  ARG  27           HB2      ARG  27 -12.165  13.511 -10.694
  161    HB3  ARG  27           HB1      ARG  27 -12.592  12.233 -11.814
  162    HG2  ARG  27           HG2      ARG  27 -12.878  10.712  -9.860
  163    HG3  ARG  27           HG1      ARG  27 -12.626  12.108  -8.810
  164    HD2  ARG  27           HD2      ARG  27 -14.825  11.715 -10.833
  165    HD3  ARG  27           HD1      ARG  27 -14.983  11.778  -9.077
  166    HE   ARG  27           HE       ARG  27 -13.917  14.159  -9.602
  167   HH11  ARG  27          HH11      ARG  27 -16.703  12.514 -11.049
  168   HH12  ARG  27          HH12      ARG  27 -17.466  13.953 -11.533
  169   HH21  ARG  27          HH21      ARG  27 -14.974  16.110 -10.252
  170   HH22  ARG  27          HH22      ARG  27 -16.478  16.036 -11.063
  171    H    GLY  28           H        GLY  28 -10.959  11.798 -13.333
  172    HA2  GLY  28           HA2      GLY  28 -10.312  13.076 -15.171
  173    HA3  GLY  28           HA1      GLY  28  -9.406  14.133 -14.083
  174    H    THR  29           H        THR  29  -7.622  12.982 -12.950
  175    HA   THR  29           HA       THR  29  -6.139  11.447 -14.909
  176    HB   THR  29           HB       THR  29  -4.982  13.486 -14.224
  177    HG1  THR  29           HG1      THR  29  -3.555  11.567 -12.783
  178   HG21  THR  29          HG21      THR  29  -5.175  12.484 -11.371
  179   HG22  THR  29          HG22      THR  29  -6.006  13.890 -12.037
  180   HG23  THR  29          HG23      THR  29  -4.248  13.892 -11.895
  181    H    ASN  30           H        ASN  30  -6.124   9.345 -14.600
  182    HA   ASN  30           HA       ASN  30  -6.928   8.351 -11.969
  183    HB2  ASN  30           HB2      ASN  30  -7.239   7.125 -14.715
  184    HB3  ASN  30           HB1      ASN  30  -7.509   6.223 -13.234
  185   HD21  ASN  30          HD21      ASN  30  -9.661   5.864 -13.737
  186   HD22  ASN  30          HD22      ASN  30 -10.853   7.109 -13.610
  187    HA   PRO  31           HA       PRO  31  -2.718   6.777 -11.905
  188    HB2  PRO  31           HB2      PRO  31  -3.169   6.121  -9.129
  189    HB3  PRO  31           HB1      PRO  31  -2.122   7.372  -9.795
  190    HG2  PRO  31           HG2      PRO  31  -4.438   7.842  -8.364
  191    HG3  PRO  31           HG1      PRO  31  -3.672   9.001  -9.455
  192    HD2  PRO  31           HD2      PRO  31  -6.067   7.298  -9.874
  193    HD3  PRO  31           HD1      PRO  31  -5.666   8.897 -10.532