*HEADER    ANTIMICROBIAL PROTEIN                   21-AUG-19   6KRA              
*TITLE     SOLUTION NMR STRUCTURE OF RMAD4 ALPHA DEFENSIN                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUTROPHIL DEFENSIN 4;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: RMAD-4;                                                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: MACACA MULATTA;                                 
*SOURCE   4 ORGANISM_COMMON: RHESUS MACAQUE;                                     
*SOURCE   5 ORGANISM_TAXID: 9544                                                 
*KEYWDS    DEFENSIN, BETA-SHEETS, DISULFIDE BONDS, ANTIMICROBIAL, ANTIMICROBIAL  
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    N.AGADI,A.KUMAR,V.K.SHUKLA                                            
*REVDAT   1   26-AUG-20 6KRA    0                                                
# Restraints file 1: R4-4.upl
 #6 CYSS  H      29 SER  H       4.50            #peak 639
  2 ARG  HA      3 THR  H       3.56            #peak 116
  2 ARG  HG2     3 THR  H       4.47            #peak 213
  2 ARG  HG2     3 THR  HB      5.24            #peak 419
  2 ARG  HG3     3 THR  H       4.47            #peak 214
  2 ARG  HG3     3 THR  HB      4.64            #peak 421
  2 ARG  QB      2 ARG  HE      4.56            #peak 118
  2 ARG  QB     32 CYSS  QB      5.52            #peak 569
  2 ARG  QB      3 THR  H       3.77            #peak 105
  2 ARG  QB      3 THR  HB      4.90            #peak 567
  2 ARG  QG      3 THR  HB      4.55            #peak 419
# 3 THR  H      30 LEU  HG      4.36            #peak 622
  3 THR  H      32 CYSS  H       6.97            #peak 227
  3 THR  H      32 CYSS  QB      4.92            #peak 271
  3 THR  H      33 ARG  H       4.56            #peak 226
  3 THR  H       3 THR  HB      3.83            #peak 250
  3 THR  H       3 THR  QG2     4.53            #peak 75
  3 THR  HA      4 CYSS  H       2.71            #peak 177
  3 THR  HB     33 ARG  H       5.84            #peak 270
  3 THR  HB      5 ARG  H       5.89            #peak 269
  3 THR  QG2    33 ARG  H       5.78            #peak 277
  3 THR  QG2     5 ARG  H       4.66            #peak 314
# 4 CYSS H      32 CYSS QB      3.52            #peak 667 
  4 CYSS  H      32 CYSS  HA      4.68            #peak 28
  4 CYSS  H      33 ARG  QD      5.12            #peak 208
  4 CYSS  H      33 ARG  QD      5.37            #peak 416
  4 CYSS  H       4 CYSS  HB2     4.04            #peak 175
  4 CYSS  H       4 CYSS  HB3     3.80            #peak 95
  4 CYSS  H       4 CYSS  QB      3.40            #peak 95
  4 CYSS  HA     32 CYSS  HA      3.38            #peak 173
  4 CYSS  HA     32 CYSS  HB2     5.10            #peak 200
  4 CYSS  HA     32 CYSS  HB3     5.43            #peak 201
  4 CYSS  HA     32 CYSS  QB      4.45            #peak 200
  4 CYSS  HA     33 ARG  H       4.65            #peak 171
  4 CYSS  HB2    30 LEU  HG      4.29            #peak 618
  4 CYSS  HB2    32 CYSS  HA      4.79            #peak 197
  4 CYSS  HB3    30 LEU  HG      5.33            #peak 616
  4 CYSS  HB3    32 CYSS  HA      4.79            #peak 198
  4 CYSS  QB     30 LEU  QQD     3.27            #peak 614
  4 CYSS  QB     32 CYSS  HA      4.21            #peak 198
  5 ARG  H      30 LEU  HG      4.77            #peak 315
  5 ARG  H       5 ARG  HG2     3.75            #peak 246
  5 ARG  H       5 ARG  HG3     3.75            #peak 245
  5 ARG  H       5 ARG  QB      3.58            #peak 104
  5 ARG  H       5 ARG  QG      4.85            #peak 246
  5 ARG  HA      5 ARG  QD      4.70            #peak 579
  5 ARG  HB2     5 ARG  HE      5.10            #peak 120
  5 ARG  HB3     5 ARG  HE      5.10            #peak 121
  5 ARG  HE      6 CYSS  H       4.58            #peak 598
  5 ARG  HE      6 CYSS  HB2     4.30            #peak 238
  5 ARG  HE      6 CYSS  HB3     4.87            #peak 239
  5 ARG  QB      5 ARG  HE      4.48            #peak 120
  5 ARG  QB      5 ARG  QG      2.35            #peak 443
# 5 ARG  QG      7 ARG  HE      5.53            #peak 612
  6 CYSS  H     21 CYSS  HA      7.15            #peak 156
  6 CYSS  H      6 CYSS  QB      3.57            #peak 13
  6 CYSS  HA     28 PHE  HA      5.84            #peak 538
  6 CYSS  HA     29 SER  H       4.02            #peak 30
  6 CYSS  HA      5 ARG  HE      4.96            #peak 482
# 6 CYSS  HA      9 GLY  H       7.27            #peak 237
  6 CYSS  HB2    21 CYSS HB3     4.50            #peak 643
  6 CYSS  HB2    22 ASN  H       5.48            #peak 282
  6 CYSS  HB2    29 SER  H       4.92            #peak 17
  6 CYSS  HB3    22 ASN  H       5.45            #peak 281
  6 CYSS  HB3    29 SER  H       5.17            #peak 16
  6 CYSS  QB     22 ASN  H       4.83            #peak 281
  6 CYSS  QB     29 SER  H       5.27            #peak 17
# 6 CYSS  QB     7 ARG  HE       4.19            #peak 7
  7 ARG  HE     11 CYSS  HA      7.11            #peak 33
# 7 ARG  HE     28 PHE  H       6.90            #peak 258
  7 ARG  HE     29 SER  H       4.22            #peak 220
  7 ARG  HE     29 SER  QB      4.81            #peak 6
  7 ARG  HE     30 LEU  HA      4.99            #peak 5
  7 ARG  HE     31 CYSS  H      4.61            #peak 219
  7 ARG  HE      7 ARG  HB2     4.48            #peak 242
  7 ARG  HE      7 ARG  HB3     3.99            #peak 243
  7 ARG  HE      7 ARG  QG      4.34            #peak 10
  7 ARG  HA     28 PHE  H       6.50            #peak 257
  7 ARG  HA     28 PHE  QE      5.48            #peak 354
# 7 ARG  HE     17 TYR  H       7.80            #peak 596
  7 ARG  QD     31 CYSS QB      3.76            #peak 532
  7 ARG  QG     31 CYSS QB      4.78            #peak 619
# 9 GLY  H      28 PHE  QD      5.00            #peak 677
  9 GLY  H      10 ARG  H       4.72            #peak 230
  9 GLY  H      28 PHE  HA      5.68            #peak 632
# 9 GLY  H      29 SER  H       6.69            #peak 229
  9 GLY  HA2    10 ARG  H       3.54            #peak 150
  9 GLY  HA3    10 ARG  H       3.54            #peak 149
  9 GLY  QA     10 ARG  H       2.98            #peak 149
 #9 GLY  QA     28 PHE  QD      4.79            #peak 676
 10 ARG  H      10 ARG  HG2     3.63            #peak 57
 10 ARG  H      10 ARG  HG3     3.63            #peak 56
 10 ARG  H      10 ARG  QB      3.55            #peak 58
 10 ARG  H      10 ARG  QD      4.91            #peak 109
 10 ARG  HA     10 ARG  QD      4.90            #peak 291
 10 ARG  QB     10 ARG  QD      3.31            #peak 381
 10 ARG  QD     11 CYSS  QB      5.19            #peak 531
 11 CYSS H      11 CYSS  QB      3.32            #peak 94
 11 CYSS HA     31 CYSS  QB      4.82            #peak 199
 12 PHE  H      12 PHE  HB2     3.74            #peak 166
 12 PHE  H      12 PHE  HB3     3.74            #peak 165
#12 PHE  H      16 SER  HB2     4.70            #peak 170
#12 PHE  H      16 SER  HB3     4.70            #peak 169
#12 PHE  H      16 SER  QB      4.07            #peak 170
 13 ARG  H      13 ARG  HB2     3.80            #peak 159
 13 ARG  H      13 ARG  HB3     3.80            #peak 160
 13 ARG  H      13 ARG  HG2     4.52            #peak 162
 13 ARG  H      13 ARG  HG3     4.52            #peak 161
 13 ARG  H      13 ARG  QB      3.27            #peak 160
 13 ARG  H      15 GLU  H       5.00            #peak 252
 13 ARG  HA     14 ARG  H       3.56            #peak 157
 13 ARG  HA     15 GLU  H       5.54            #peak 180
 13 ARG  HB2    14 ARG  H       4.56            #peak 409
 13 ARG  HB3    14 ARG  H       4.56            #peak 408
 13 ARG  QB     14 ARG  H       3.92            #peak 409
 14 ARG  H      14 ARG  HB2     3.98            #peak 407
 14 ARG  H      14 ARG  HB3     3.98            #peak 62
 14 ARG  H      14 ARG  QB      3.47            #peak 62
 14 ARG  H      14 ARG  QD      4.38            #peak 138
 14 ARG  H      15 GLU  H       4.03            #peak 182
 14 ARG  QB     14 ARG  HE      4.77            #peak 608
 14 ARG  QB     14 ARG  QD      3.04            #peak 382
 15 GLU  H      15 GLU  HG2     4.01            #peak 128
 15 GLU  H      15 GLU  HG3     4.01            #peak 129
 15 GLU  H      15 GLU  QG      3.48            #peak 129
 15 GLU  HA     16 SER  H       3.37            #peak 48
 15 GLU  HB2    16 SER  H       4.57            #peak 86
 15 GLU  HB3    16 SER  H       4.57            #peak 85
 15 GLU  HG2    16 SER  H       5.03            #peak 87
 15 GLU  HG3    16 SER  H       5.03            #peak 88
 15 GLU  QB     16 SER  H       3.85            #peak 85
#15 GLU  QB     17 TYR  H       5.41            #peak 163
 15 GLU  QG     16 SER  H       4.20            #peak 88
#15 GLU  QG     17 TYR  H       4.69            #peak 406
 15 GLU  QG     32 CYSS QB      5.66            #peak 432
 16 SER  H      16 SER  QB      3.64            #peak 167
#16 SER  H      32 CYSS H       5.00            #peak 184
#16 SER  H      33 ARG  HA      6.11            #peak 241
 17 TYR  H      17 TYR  HB2     3.64            #peak 151
 17 TYR  H      17 TYR  HB3     3.64            #peak 285
 17 TYR  H      17 TYR  QB      3.18            #peak 285
 17 TYR  H      31 CYSS  QB      4.78            #peak 283
#17 TYR  HA     31 CYSS  H       4.83            #peak 107
#17 TYR  QB     31 CYSS  QB      4.80            #peak 533
#17 TYR  QD     18 SER  H       4.55            #peak 584
 17 TYR  QD     19 GLY  H       4.43            #peak 513
 17 TYR  QD     19 GLY  QA      4.94            #peak 587
 17 TYR  QD     29 SER  HB2     4.25            #peak 339
 17 TYR  QD     29 SER  HB3     4.64            #peak 338
 17 TYR  QD     29 SER  QB      3.40            #peak 338
 17 TYR  QE     18 SER  QB      4.35            #peak 671
 17 TYR  QE     19 GLY  H       4.35            #peak 514
 17 TYR  QE     19 GLY  QA      4.80            #peak 588
 17 TYR  QE     29 SER  HB2     4.43            #peak 340
 17 TYR  QE     29 SER  HB3     4.43            #peak 337
 17 TYR  QE     29 SER  QB      3.58            #peak 337
#17 TYR  QE     30 LEU  H       4.79            #peak 582
 18 SER  H      18 SER  QB      3.62            #peak 351
 18 SER  H      19 GLY  H       3.67            #peak 259
 18 SER  H      30 LEU  H       4.70            #peak 637
 18 SER  H      30 LEU  HG      5.60            #peak 278
 18 SER  H      30 LEU  QQD     5.15            #peak 522
 18 SER  H      31 CYSS  HA      4.68            #peak 172
 18 SER  QB     30 LEU  QQD     4.04            #peak 471
 19 GLY  H      30 LEU  H       5.30            #peak 581
 19 GLY  HA2    20 SER  H       3.57            #peak 114
 19 GLY  HA3    20 SER  H       3.57            #peak 115
 19 GLY  QA     20 SER  H       3.07            #peak 114
 20 SER  H      20 SER  QB      3.46            #peak 488
 20 SER  H      30 LEU  QQD     4.98            #peak 316
 20 SER  HA     29 SER  HA      4.88            #peak 490
 20 SER  HA     30 LEU  QQD     4.95            #peak 495
 20 SER  QB     22 ASN  H       6.30            #peak 508
 21 CYSS  H      21 CYSS  HB2     3.80            #peak 96
 21 CYSS  H      21 CYSS  HB3     3.80            #peak 92
 21 CYSS  H      21 CYSS  QB      3.13            #peak 92
 21 CYSS  H      23 ILE  H       6.61            #peak 224
 21 CYSS  H      29 SER  HA      4.50            #peak 634
 21 CYSS  H      29 SER  QB      5.22            #peak 353
 21 CYSS  H      30 LEU  QQD     6.15            #peak 317
 21 CYSS  HA     22 ASN  H       3.31            #peak 21
 21 CYSS  HA     23 ILE  H       5.83            #peak 260
 21 CYSS  HA     27 ILE  HG12    5.29            #peak 494
 21 CYSS  HA     27 ILE  HG13    4.95            #peak 493
 21 CYSS  HA     27 ILE  QD1     5.80            #peak 0
 21 CYSS  HB2    23 ILE  H       5.00            #peak 261
 21 CYSS  HB3    23 ILE  H       5.55            #peak 262
 21 CYSS  QB     22 ASN  HA      4.50            #peak 559
 21 CYSS  QB     23 ILE  H       4.77            #peak 261
 22 ASN  H      22 ASN  HB2     4.04            #peak 154
 22 ASN  H      22 ASN  HB3     4.04            #peak 153
 22 ASN  H      22 ASN  QB      3.32            #peak 153
 22 ASN  H      23 ILE  H       5.08            #peak 223
 22 ASN  H      23 ILE  QG1     4.35            #peak 249
 22 ASN  QD2    25 GLY  QA      5.27            #peak 502
 23 ILE  H      23 ILE  HB      3.91            #peak 66
 23 ILE  H      23 ILE  HG12    4.42            #peak 67
 23 ILE  H      23 ILE  HG13    4.42            #peak 68
 23 ILE  H      23 ILE  QD1     5.11            #peak 72
 23 ILE  H      23 ILE  QG2     4.15            #peak 71
 23 ILE  H      24 ASN  H       4.98            #peak 222
 23 ILE  H      25 GLY  H       5.21            #peak 251
 23 ILE  H      26 ARG  H       4.23            #peak 181
 23 ILE  H      27 ILE  HA      4.50            #peak 613
 23 ILE  H      28 PHE  QD      4.02            #peak 582
 23 ILE  H      28 PHE  QE      5.02            #peak 583
 23 ILE  HA     23 ILE  QD1     4.42            #peak 480
 23 ILE  HA     23 ILE  QG2     3.92            #peak 362
 23 ILE  HA     24 ASN  H       3.11            #peak 35
 23 ILE  HB     23 ILE  QD1     3.99            #peak 469
 23 ILE  HB     24 ASN  H       4.89            #peak 218
 23 ILE  HB     28 PHE  HZ      3.77            #peak 332
 23 ILE  HG12   28 PHE  QE      4.69            #peak 310
 23 ILE  HG13   28 PHE  QE      4.69            #peak 309
 23 ILE  QD1    28 PHE  HZ      5.05            #peak 318
 23 ILE  QD1    28 PHE  QE      4.48            #peak 308
 23 ILE  QG1    24 ASN  H       4.88            #peak 217
 23 ILE  QG1    28 PHE  HZ      5.04            #peak 320
 23 ILE  QG1    28 PHE  QE      4.03            #peak 310
 23 ILE  QG2    23 ILE  QD1     3.29            #peak 468
 23 ILE  QG2    24 ASN  H       4.08            #peak 216
 23 ILE  QG2    24 ASN  HD21    4.81            #peak 602
 23 ILE  QG2    24 ASN  HD22    4.81            #peak 601
 23 ILE  QG2    24 ASN  QB      4.66            #peak 620
 23 ILE  QG2    28 PHE  HZ      4.47            #peak 319
 23 ILE  QG2    28 PHE  QE      4.72            #peak 307
 24 ASN  QB     26 ARG  QG      4.38            #peak 435
 24 ASN  QB     28 PHE  HZ      4.62            #peak 328
 25 GLY  H      26 ARG  H       3.95            #peak 183
 26 ARG  H      26 ARG  HB2     4.03            #peak 54
 26 ARG  H      26 ARG  HB3     4.03            #peak 53
 26 ARG  H      26 ARG  HG2     4.69            #peak 52
 26 ARG  H      26 ARG  HG3     4.69            #peak 51
 26 ARG  H      26 ARG  QB      3.35            #peak 54
 26 ARG  H      26 ARG  QD      4.97            #peak 108
 26 ARG  H      26 ARG  QG      3.98            #peak 52
 26 ARG  H      27 ILE  H       5.06            #peak 253
 26 ARG  H      27 ILE  QG1     6.50            #peak 613
 26 ARG  HA     27 ILE  H       3.06            #peak 78
 26 ARG  HB2    27 ILE  H       4.59            #peak 414
 26 ARG  HB2    28 PHE  HZ      4.45            #peak 336
 26 ARG  HB3    27 ILE  H       4.08            #peak 413
 26 ARG  HB3    28 PHE  HZ      4.65            #peak 334
 26 ARG  QB     26 ARG  HE      4.70            #peak 122
 26 ARG  QB     27 ILE  H       3.67            #peak 414
 26 ARG  QB     28 PHE  HZ      4.03            #peak 336
 26 ARG  QB     28 PHE  QE      4.45            #peak 610
 26 ARG  QG     27 ILE  H       4.33            #peak 415
 27 ILE  H      27 ILE  HB      3.45            #peak 59
 27 ILE  H      27 ILE  HG12    4.84            #peak 60
 27 ILE  H      27 ILE  HG13    4.61            #peak 61
 27 ILE  H      27 ILE  QD1     4.53            #peak 73
 27 ILE  H      27 ILE  QG2     4.41            #peak 74
 27 ILE  HB     27 ILE  QD1     4.13            #peak 449
#27 ILE  HB     28 PHE  HZ      7.32            #peak 611
 27 ILE  HG12   28 PHE  H       4.95            #peak 275
 27 ILE  HG13   28 PHE  H       5.36            #peak 276
 27 ILE  QG1    29 SER  QB      6.35            #peak 524
 27 ILE  QG2    27 ILE  HG12    3.84            #peak 454
 27 ILE  QG2    27 ILE  HG13    3.84            #peak 460
 27 ILE  QG2    27 ILE  QD1     2.96            #peak 461
 27 ILE  QG2    27 ILE  QG1     3.27            #peak 454
 28 PHE  H      28 PHE  QD      5.00            #peak 678
 28 PHE  H      28 PHE  QE      4.86            #peak 630
 28 PHE  HA     28 PHE  QD      3.58            #peak 481
 28 PHE  HA     28 PHE  QE      4.83            #peak 679
 29 SER  H      29 SER  HB2     4.18            #peak 19
 29 SER  H      29 SER  HB3     4.18            #peak 18
 29 SER  H      29 SER  QB      3.55            #peak 19
 29 SER  HA     30 LEU  H       3.24            #peak 146
 29 SER  HB2    30 LEU  H       4.76            #peak 267
 29 SER  HB3    30 LEU  H       4.76            #peak 266
 29 SER  QB     30 LEU  H       3.88            #peak 266
 30 LEU  H      30 LEU  HG      4.94            #peak 63
 30 LEU  H      30 LEU  QD1     4.10            #peak 70
 30 LEU  H      30 LEU  QD2     4.42            #peak 69
 30 LEU  H      30 LEU  QQD     3.74            #peak 69
 30 LEU  H       6 CYSS  H       5.85            #peak 627
 30 LEU  HA     31 CYSS  H       2.72            #peak 37
 30 LEU  HB2    20 SER  HA      4.88            #peak 633
 30 LEU  QQD    31 CYSS  H       3.37            #peak 215
 31 CYSS  H      31 CYSS  HB2     3.68            #peak 176
 31 CYSS  H      31 CYSS  HB3     3.90            #peak 174
 31 CYSS  H      31 CYSS  QB      3.16            #peak 176
 31 CYSS  HA     19 GLY  H       5.08            #peak 638
 31 CYSS  HA     32 CYSS  H       3.49            #peak 22
 31 CYSS  HB2    32 CYSS  H       4.85            #peak 206
 31 CYSS  HB3    11 CYSS  HB3     4.85            #peak 642
 31 CYSS  HB3    32 CYSS  H       4.85            #peak 205
 31 CYSS  QB     32 CYSS  H       4.23            #peak 205
 32 CYSS  H      32 CYSS  QB      3.70            #peak 97
 32 CYSS  H      33 ARG  H       4.60            #peak 228
 32 CYSS  HA     33 ARG  H       3.23            #peak 26
 32 CYSS  HB2    33 ARG  H       4.49            #peak 210
 32 CYSS  HB2     4 CYSS HB2     4.50            #peak 629
 32 CYSS  HB3    33 ARG  H       4.49            #peak 209
 32 CYSS  QB     33 ARG  H       3.95            #peak 210
 33 ARG  H      33 ARG  HB2     4.01            #peak 212
 33 ARG  H      33 ARG  HB3     4.01            #peak 211
 33 ARG  H      33 ARG  HG2     4.33            #peak 99
 33 ARG  H      33 ARG  HG3     4.33            #peak 98
 33 ARG  H      33 ARG  QB      3.52            #peak 211
 33 ARG  H      33 ARG  QD      5.00            #peak 90
 33 ARG  H      33 ARG  QG      3.75            #peak 99
 33 ARG  HB2    33 ARG  HE      4.33            #peak 124
 33 ARG  HB3    33 ARG  HE      4.33            #peak 123
 33 ARG  QB     33 ARG  QD      3.24            #peak 204
#Hbond
  5 ARG  H      31 CYSS  O       2.0
  5 ARG  N      31 CYSS  O       3.0
  5 ARG  O      31 CYSS  H       2.0
  5 ARG  O      31 CYSS  N       3.0
  7 ARG  H      29 SER  O       2.0 
  7 ARG  N      29 SER  O       3.0
  7 ARG  O      29 SER  H       2.0
  7 ARG  O      29 PHE  N       3.0
 19 GLY  H      30 LEU  O       2.85
 19 GLY  N      30 LEU  O       3.85
 19 GLY  O      30 LEU  H       2.5
 19 GLY  O      30 LEU  N       3.5
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           HT1      ARG   1   2.946  -0.420  -0.061
    2    H2   ARG   1           HT2      ARG   1   1.870  -1.603  -0.643
    3    H3   ARG   1           HT3      ARG   1   1.322  -0.034  -0.333
    4    HA   ARG   1           HA       ARG   1   1.631  -0.508  -2.712
    5    HB2  ARG   1           HB2      ARG   1   3.429   1.629  -1.534
    6    HB3  ARG   1           HB1      ARG   1   2.825   1.597  -3.188
    7    HG2  ARG   1           HG2      ARG   1   0.544   1.791  -2.385
    8    HG3  ARG   1           HG1      ARG   1   1.114   1.755  -0.718
    9    HD2  ARG   1           HD2      ARG   1   2.364   3.845  -1.135
   10    HD3  ARG   1           HD1      ARG   1   1.694   3.894  -2.768
   11    HE   ARG   1           HE       ARG   1  -0.416   3.650  -0.930
   12   HH11  ARG   1          HH11      ARG   1   1.978   6.049  -1.877
   13   HH12  ARG   1          HH12      ARG   1   0.958   7.393  -1.447
   14   HH21  ARG   1          HH21      ARG   1  -1.721   5.385  -0.380
   15   HH22  ARG   1          HH22      ARG   1  -1.156   7.019  -0.597
   16    H    ARG   2           HN       ARG   2   2.922  -2.647  -1.890
   17    HA   ARG   2           HA       ARG   2   5.771  -2.491  -2.339
   18    HB2  ARG   2           HB2      ARG   2   5.076  -3.928  -0.589
   19    HB3  ARG   2           HB1      ARG   2   3.843  -4.675  -1.585
   20    HG2  ARG   2           HG2      ARG   2   5.614  -6.226  -1.244
   21    HG3  ARG   2           HG1      ARG   2   5.626  -5.723  -2.934
   22    HD2  ARG   2           HD2      ARG   2   7.524  -4.370  -2.620
   23    HD3  ARG   2           HD1      ARG   2   7.377  -4.434  -0.862
   24    HE   ARG   2           HE       ARG   2   8.258  -6.605  -0.870
   25   HH11  ARG   2          HH11      ARG   2   8.151  -5.214  -4.080
   26   HH12  ARG   2          HH12      ARG   2   9.097  -6.477  -4.796
   27   HH21  ARG   2          HH21      ARG   2   9.523  -8.251  -1.794
   28   HH22  ARG   2          HH22      ARG   2   9.891  -8.210  -3.490
   29    H    THR   3           HN       THR   3   2.906  -3.713  -4.034
   30    HA   THR   3           HA       THR   3   4.430  -3.693  -6.504
   31    HB   THR   3           HB       THR   3   3.145  -6.258  -5.527
   32    HG1  THR   3           HG1      THR   3   5.611  -5.275  -5.223
   33   HG21  THR   3          HG21      THR   3   4.552  -5.646  -8.132
   34   HG22  THR   3          HG22      THR   3   2.824  -5.947  -7.932
   35   HG23  THR   3          HG23      THR   3   3.988  -7.236  -7.616
   36    H    CYS   4           HN       CYS   4   3.170  -2.726  -7.948
   37    HA   CYS   4           HA       CYS   4   0.260  -2.857  -7.617
   38    HB2  CYS   4           HB2      CYS   4   1.608  -1.177  -9.704
   39    HB3  CYS   4           HB1      CYS   4   0.126  -0.863  -8.812
   40    H    ARG   5           HN       ARG   5  -1.041  -3.866  -9.158
   41    HA   ARG   5           HA       ARG   5  -0.021  -4.474 -11.765
   42    HB2  ARG   5           HB2      ARG   5   0.068  -6.838 -11.668
   43    HB3  ARG   5           HB1      ARG   5   1.030  -6.246 -10.323
   44    HG2  ARG   5           HG2      ARG   5  -0.690  -6.787  -8.761
   45    HG3  ARG   5           HG1      ARG   5  -1.820  -7.171 -10.063
   46    HD2  ARG   5           HD2      ARG   5   0.687  -8.654  -9.304
   47    HD3  ARG   5           HD1      ARG   5  -0.977  -9.229  -9.185
   48    HE   ARG   5           HE       ARG   5  -0.108  -8.512 -11.860
   49   HH11  ARG   5          HH11      ARG   5  -0.487 -11.085  -9.504
   50   HH12  ARG   5          HH12      ARG   5  -0.353 -12.345 -10.687
   51   HH21  ARG   5          HH21      ARG   5   0.017 -10.163 -13.407
   52   HH22  ARG   5          HH22      ARG   5  -0.077 -11.828 -12.912
   53    H    CYS   6           HN       CYS   6  -1.555  -5.158 -13.213
   54    HA   CYS   6           HA       CYS   6  -4.306  -4.778 -12.571
   55    HB2  CYS   6           HB2      CYS   6  -3.417  -6.111 -15.078
   56    HB3  CYS   6           HB1      CYS   6  -4.558  -4.786 -14.849
   57    H    ARG   7           HN       ARG   7  -5.649  -6.314 -11.740
   58    HA   ARG   7           HA       ARG   7  -5.019  -9.115 -12.364
   59    HB2  ARG   7           HB2      ARG   7  -5.785  -9.734 -10.083
   60    HB3  ARG   7           HB1      ARG   7  -4.349  -8.718 -10.071
   61    HG2  ARG   7           HG2      ARG   7  -5.746  -6.766  -9.564
   62    HG3  ARG   7           HG1      ARG   7  -7.172  -7.804  -9.544
   63    HD2  ARG   7           HD2      ARG   7  -4.789  -8.037  -7.709
   64    HD3  ARG   7           HD1      ARG   7  -6.354  -7.344  -7.284
   65    HE   ARG   7           HE       ARG   7  -6.826  -9.917  -8.214
   66   HH11  ARG   7          HH11      ARG   7  -5.218  -8.357  -5.515
   67   HH12  ARG   7          HH12      ARG   7  -5.382  -9.735  -4.465
   68   HH21  ARG   7          HH21      ARG   7  -7.064 -11.718  -6.815
   69   HH22  ARG   7          HH22      ARG   7  -6.432 -11.626  -5.202
   70    H    PHE   8           HN       PHE   8  -6.719 -10.558 -12.575
   71    HA   PHE   8           HA       PHE   8  -9.149  -9.384 -13.555
   72    HB2  PHE   8           HB2      PHE   8  -8.102 -11.378 -14.595
   73    HB3  PHE   8           HB1      PHE   8  -8.448 -12.298 -13.136
   74    HD1  PHE   8           HD1      PHE   8 -10.103 -10.333 -15.823
   75    HD2  PHE   8           HD2      PHE   8 -10.456 -13.438 -12.933
   76    HE1  PHE   8           HE1      PHE   8 -12.304 -10.931 -16.742
   77    HE2  PHE   8           HE2      PHE   8 -12.660 -14.039 -13.844
   78    HZ   PHE   8           HZ       PHE   8 -13.585 -12.787 -15.754
   79    H    GLY   9           HN       GLY   9 -11.004  -9.099 -12.514
   80    HA2  GLY   9           HA2      GLY   9 -12.688  -9.626 -10.931
   81    HA3  GLY   9           HA1      GLY   9 -11.491 -10.524 -10.004
   82    H    ARG  10           HN       ARG  10 -12.353  -9.297  -8.168
   83    HA   ARG  10           HA       ARG  10 -11.546  -6.497  -8.117
   84    HB2  ARG  10           HB2      ARG  10 -12.635  -6.449  -5.882
   85    HB3  ARG  10           HB1      ARG  10 -13.719  -6.906  -7.182
   86    HG2  ARG  10           HG2      ARG  10 -14.294  -8.353  -5.479
   87    HG3  ARG  10           HG1      ARG  10 -13.199  -9.328  -6.460
   88    HD2  ARG  10           HD2      ARG  10 -11.388  -8.922  -4.928
   89    HD3  ARG  10           HD1      ARG  10 -12.372  -7.785  -4.005
   90    HE   ARG  10           HE       ARG  10 -13.634 -10.315  -4.127
   91   HH11  ARG  10          HH11      ARG  10 -10.967  -8.653  -2.576
   92   HH12  ARG  10          HH12      ARG  10 -11.007  -9.656  -1.153
   93   HH21  ARG  10          HH21      ARG  10 -13.700 -11.612  -2.271
   94   HH22  ARG  10          HH22      ARG  10 -12.567 -11.346  -0.983
   95    H    CYS  11           HN       CYS  11 -10.435  -5.766  -6.033
   96    HA   CYS  11           HA       CYS  11  -8.061  -7.461  -5.802
   97    HB2  CYS  11           HB2      CYS  11  -8.385  -4.538  -5.099
   98    HB3  CYS  11           HB1      CYS  11  -6.875  -5.439  -5.195
   99    H    PHE  12           HN       PHE  12  -6.841  -6.895  -3.623
  100    HA   PHE  12           HA       PHE  12  -8.599  -7.693  -1.452
  101    HB2  PHE  12           HB2      PHE  12  -6.266  -8.618  -1.829
  102    HB3  PHE  12           HB1      PHE  12  -5.640  -7.046  -1.346
  103    HD1  PHE  12           HD1      PHE  12  -7.764  -9.853  -0.157
  104    HD2  PHE  12           HD2      PHE  12  -5.230  -6.598   0.889
  105    HE1  PHE  12           HE1      PHE  12  -7.801 -10.582   2.193
  106    HE2  PHE  12           HE2      PHE  12  -5.266  -7.319   3.239
  107    HZ   PHE  12           HZ       PHE  12  -6.549  -9.314   3.894
  108    H    ARG  13           HN       ARG  13  -8.812  -6.435   0.525
  109    HA   ARG  13           HA       ARG  13  -9.510  -3.790  -0.005
  110    HB2  ARG  13           HB2      ARG  13 -10.399  -5.233   1.850
  111    HB3  ARG  13           HB1      ARG  13  -8.919  -4.896   2.739
  112    HG2  ARG  13           HG2      ARG  13  -9.432  -2.522   2.745
  113    HG3  ARG  13           HG1      ARG  13 -10.883  -2.817   1.788
  114    HD2  ARG  13           HD2      ARG  13 -11.707  -4.274   3.649
  115    HD3  ARG  13           HD1      ARG  13 -10.327  -3.734   4.604
  116    HE   ARG  13           HE       ARG  13 -11.759  -1.501   3.601
  117   HH11  ARG  13          HH11      ARG  13 -11.928  -4.013   6.056
  118   HH12  ARG  13          HH12      ARG  13 -12.977  -3.087   7.096
  119   HH21  ARG  13          HH21      ARG  13 -13.108  -0.301   4.964
  120   HH22  ARG  13          HH22      ARG  13 -13.637  -0.969   6.476
  121    H    ARG  14           HN       ARG  14  -6.463  -5.081   1.121
  122    HA   ARG  14           HA       ARG  14  -5.496  -2.493   1.978
  123    HB2  ARG  14           HB2      ARG  14  -4.086  -5.155   1.748
  124    HB3  ARG  14           HB1      ARG  14  -3.375  -3.699   2.435
  125    HG2  ARG  14           HG2      ARG  14  -5.132  -3.686   4.159
  126    HG3  ARG  14           HG1      ARG  14  -5.774  -5.186   3.491
  127    HD2  ARG  14           HD2      ARG  14  -4.393  -5.721   5.374
  128    HD3  ARG  14           HD1      ARG  14  -3.573  -6.248   3.906
  129    HE   ARG  14           HE       ARG  14  -2.523  -3.800   4.293
  130   HH11  ARG  14          HH11      ARG  14  -2.952  -6.536   6.427
  131   HH12  ARG  14          HH12      ARG  14  -1.564  -6.166   7.403
  132   HH21  ARG  14          HH21      ARG  14  -0.692  -3.306   5.551
  133   HH22  ARG  14          HH22      ARG  14  -0.269  -4.326   6.889
  134    H    GLU  15           HN       GLU  15  -5.776  -4.057  -0.977
  135    HA   GLU  15           HA       GLU  15  -3.381  -2.916  -2.149
  136    HB2  GLU  15           HB2      GLU  15  -5.712  -4.326  -3.469
  137    HB3  GLU  15           HB1      GLU  15  -4.208  -3.878  -4.259
  138    HG2  GLU  15           HG2      GLU  15  -2.986  -5.395  -2.779
  139    HG3  GLU  15           HG1      GLU  15  -4.503  -5.858  -2.009
  140    H    SER  16           HN       SER  16  -3.292  -0.867  -2.758
  141    HA   SER  16           HA       SER  16  -5.637   0.775  -2.847
  142    HB2  SER  16           HB2      SER  16  -2.799   1.428  -3.681
  143    HB3  SER  16           HB1      SER  16  -4.081   2.589  -3.326
  144    HG   SER  16           HG       SER  16  -4.133   1.527  -1.177
  145    H    TYR  17           HN       TYR  17  -6.948   1.046  -4.550
  146    HA   TYR  17           HA       TYR  17  -6.410  -0.080  -7.096
  147    HB2  TYR  17           HB2      TYR  17  -8.699   0.290  -6.144
  148    HB3  TYR  17           HB1      TYR  17  -8.481   2.017  -6.394
  149    HD1  TYR  17           HD1      TYR  17  -8.901   3.001  -8.503
  150    HD2  TYR  17           HD2      TYR  17  -8.742  -1.236  -8.149
  151    HE1  TYR  17           HE1      TYR  17  -9.799   2.782 -10.783
  152    HE2  TYR  17           HE2      TYR  17  -9.635  -1.467 -10.427
  153    HH   TYR  17           HH       TYR  17 -10.986  -0.130 -12.021
  154    H    SER  18           HN       SER  18  -4.874   0.670  -8.372
  155    HA   SER  18           HA       SER  18  -4.015   3.424  -8.226
  156    HB2  SER  18           HB2      SER  18  -2.993   1.227 -10.034
  157    HB3  SER  18           HB1      SER  18  -2.169   2.728  -9.602
  158    HG   SER  18           HG       SER  18  -2.882   1.380  -7.379
  159    H    GLY  19           HN       GLY  19  -5.531   1.277 -10.599
  160    HA2  GLY  19           HA2      GLY  19  -6.910   3.327 -11.928
  161    HA3  GLY  19           HA1      GLY  19  -5.408   3.033 -12.794
  162    H    SER  20           HN       SER  20  -6.532   2.295 -14.610
  163    HA   SER  20           HA       SER  20  -7.859  -0.306 -14.256
  164    HB2  SER  20           HB2      SER  20  -8.544   1.789 -16.330
  165    HB3  SER  20           HB1      SER  20  -9.396   0.271 -16.034
  166    HG   SER  20           HG       SER  20  -9.619   1.237 -13.777
  167    H    CYS  21           HN       CYS  21  -6.996  -1.931 -15.353
  168    HA   CYS  21           HA       CYS  21  -5.107  -1.354 -17.533
  169    HB2  CYS  21           HB2      CYS  21  -5.363  -3.656 -15.635
  170    HB3  CYS  21           HB1      CYS  21  -4.391  -3.750 -17.102
  171    H    ASN  22           HN       ASN  22  -5.681  -1.944 -19.572
  172    HA   ASN  22           HA       ASN  22  -7.759  -4.010 -19.817
  173    HB2  ASN  22           HB2      ASN  22  -8.597  -2.865 -21.840
  174    HB3  ASN  22           HB1      ASN  22  -8.762  -1.885 -20.392
  175   HD21  ASN  22          HD21      ASN  22  -8.782  -1.035 -23.112
  176   HD22  ASN  22          HD22      ASN  22  -7.478   0.087 -23.302
  177    H    ILE  23           HN       ILE  23  -6.915  -5.782 -20.588
  178    HA   ILE  23           HA       ILE  23  -4.789  -5.575 -22.623
  179    HB   ILE  23           HB       ILE  23  -5.063  -7.667 -20.453
  180   HG12  ILE  23          HG12      ILE  23  -2.943  -5.543 -20.863
  181   HG13  ILE  23          HG11      ILE  23  -4.232  -5.463 -19.665
  182   HG21  ILE  23          HG21      ILE  23  -2.989  -8.593 -21.298
  183   HG22  ILE  23          HG22      ILE  23  -2.929  -7.368 -22.563
  184   HG23  ILE  23          HG23      ILE  23  -4.210  -8.581 -22.567
  185   HD11  ILE  23          HD11      ILE  23  -3.321  -7.473 -18.591
  186   HD12  ILE  23          HD12      ILE  23  -2.159  -6.148 -18.639
  187   HD13  ILE  23          HD13      ILE  23  -2.010  -7.494 -19.770
  188    H    ASN  24           HN       ASN  24  -5.392  -6.349 -24.499
  189    HA   ASN  24           HA       ASN  24  -6.252  -7.675 -26.121
  190    HB2  ASN  24           HB2      ASN  24  -6.506  -9.564 -23.788
  191    HB3  ASN  24           HB1      ASN  24  -7.047 -10.008 -25.402
  192   HD21  ASN  24          HD21      ASN  24  -5.518 -11.680 -25.426
  193   HD22  ASN  24          HD22      ASN  24  -3.835 -11.360 -25.711
  194    H    GLY  25           HN       GLY  25  -7.974  -5.956 -24.207
  195    HA2  GLY  25           HA2      GLY  25 -10.111  -5.168 -24.905
  196    HA3  GLY  25           HA1      GLY  25 -10.485  -6.782 -25.484
  197    H    ARG  26           HN       ARG  26  -9.056  -7.055 -22.480
  198    HA   ARG  26           HA       ARG  26 -11.655  -6.867 -21.118
  199    HB2  ARG  26           HB2      ARG  26  -9.582  -9.047 -20.790
  200    HB3  ARG  26           HB1      ARG  26 -10.951  -8.818 -19.711
  201    HG2  ARG  26           HG2      ARG  26 -12.441  -9.075 -21.721
  202    HG3  ARG  26           HG1      ARG  26 -11.007  -9.573 -22.619
  203    HD2  ARG  26           HD2      ARG  26 -12.067 -10.910 -20.131
  204    HD3  ARG  26           HD1      ARG  26 -12.308 -11.486 -21.778
  205    HE   ARG  26           HE       ARG  26  -9.616 -11.323 -21.590
  206   HH11  ARG  26          HH11      ARG  26 -12.067 -12.873 -19.608
  207   HH12  ARG  26          HH12      ARG  26 -11.002 -14.134 -19.059
  208   HH21  ARG  26          HH21      ARG  26  -8.231 -12.962 -20.871
  209   HH22  ARG  26          HH22      ARG  26  -8.811 -14.175 -19.770
  210    H    ILE  27           HN       ILE  27 -11.666  -5.954 -19.123
  211    HA   ILE  27           HA       ILE  27  -9.212  -4.528 -18.465
  212    HB   ILE  27           HB       ILE  27 -11.158  -3.144 -18.782
  213   HG12  ILE  27          HG12      ILE  27 -10.440  -3.277 -15.846
  214   HG13  ILE  27          HG11      ILE  27  -9.483  -2.478 -17.088
  215   HG21  ILE  27          HG21      ILE  27 -12.884  -4.784 -18.207
  216   HG22  ILE  27          HG22      ILE  27 -13.117  -3.257 -17.354
  217   HG23  ILE  27          HG23      ILE  27 -12.436  -4.647 -16.505
  218   HD11  ILE  27          HD11      ILE  27 -11.316  -0.933 -17.513
  219   HD12  ILE  27          HD12      ILE  27 -10.799  -0.880 -15.828
  220   HD13  ILE  27          HD13      ILE  27 -12.280  -1.730 -16.270
  221    H    PHE  28           HN       PHE  28  -7.967  -5.109 -16.887
  222    HA   PHE  28           HA       PHE  28  -9.020  -6.707 -14.672
  223    HB2  PHE  28           HB2      PHE  28  -6.120  -6.202 -15.390
  224    HB3  PHE  28           HB1      PHE  28  -6.750  -7.410 -14.275
  225    HD1  PHE  28           HD1      PHE  28  -8.191  -9.274 -15.238
  226    HD2  PHE  28           HD2      PHE  28  -5.779  -6.717 -17.630
  227    HE1  PHE  28           HE1      PHE  28  -8.263 -10.923 -17.064
  228    HE2  PHE  28           HE2      PHE  28  -5.844  -8.357 -19.462
  229    HZ   PHE  28           HZ       PHE  28  -7.089 -10.464 -19.178
  230    H    SER  29           HN       SER  29  -8.660  -6.012 -12.546
  231    HA   SER  29           HA       SER  29  -8.657  -3.167 -12.239
  232    HB2  SER  29           HB2      SER  29  -8.558  -5.282 -10.076
  233    HB3  SER  29           HB1      SER  29  -9.121  -3.616  -9.916
  234    HG   SER  29           HG       SER  29 -10.526  -5.762 -10.592
  235    H    LEU  30           HN       LEU  30  -6.892  -1.941 -12.079
  236    HA   LEU  30           HA       LEU  30  -4.317  -3.146 -11.494
  237    HB2  LEU  30           HB2      LEU  30  -4.371  -1.569 -13.302
  238    HB3  LEU  30           HB1      LEU  30  -5.150  -0.363 -12.300
  239    HG   LEU  30           HG       LEU  30  -3.070  -0.249 -10.919
  240   HD11  LEU  30          HD11      LEU  30  -2.140  -2.427 -11.433
  241   HD12  LEU  30          HD12      LEU  30  -1.005  -1.149 -11.871
  242   HD13  LEU  30          HD13      LEU  30  -1.945  -1.963 -13.123
  243   HD21  LEU  30          HD21      LEU  30  -2.767   0.358 -13.854
  244   HD22  LEU  30          HD22      LEU  30  -1.818   1.064 -12.547
  245   HD23  LEU  30          HD23      LEU  30  -3.548   1.390 -12.655
  246    H    CYS  31           HN       CYS  31  -4.088  -3.573  -9.378
  247    HA   CYS  31           HA       CYS  31  -4.502  -1.331  -7.511
  248    HB2  CYS  31           HB2      CYS  31  -4.974  -4.272  -6.974
  249    HB3  CYS  31           HB1      CYS  31  -5.122  -2.982  -5.783
  250    H    CYS  32           HN       CYS  32  -3.029  -1.224  -5.735
  251    HA   CYS  32           HA       CYS  32  -0.513  -2.629  -6.282
  252    HB2  CYS  32           HB2      CYS  32  -0.631  -0.122  -6.791
  253    HB3  CYS  32           HB1      CYS  32  -0.718   0.112  -5.050
  254    H    ARG  33           HN       ARG  33  -0.066  -4.009  -4.769
  255    HA   ARG  33           HA       ARG  33  -1.125  -3.665  -2.068
  256    HB2  ARG  33           HB2      ARG  33  -0.268  -6.057  -1.823
  257    HB3  ARG  33           HB1      ARG  33  -1.610  -5.816  -2.935
  258    HG2  ARG  33           HG2      ARG  33   0.164  -5.675  -4.768
  259    HG3  ARG  33           HG1      ARG  33   1.276  -6.333  -3.569
  260    HD2  ARG  33           HD2      ARG  33  -1.321  -7.633  -4.354
  261    HD3  ARG  33           HD1      ARG  33   0.234  -8.024  -5.084
  262    HE   ARG  33           HE       ARG  33   0.937  -8.685  -2.787
  263   HH11  ARG  33          HH11      ARG  33  -2.466  -8.532  -3.549
  264   HH12  ARG  33          HH12      ARG  33  -2.883  -9.886  -2.539
  265   HH21  ARG  33          HH21      ARG  33   0.413 -10.453  -1.454
  266   HH22  ARG  33          HH22      ARG  33  -1.241 -10.995  -1.347
  Start of MODEL    2
    1    H1   ARG   1           HT1      ARG   1   0.750   1.261  -3.393
    2    H2   ARG   1           HT2      ARG   1   1.464   1.075  -1.869
    3    H3   ARG   1           HT3      ARG   1   1.458  -0.218  -2.963
    4    HA   ARG   1           HA       ARG   1   2.824   1.102  -4.494
    5    HB2  ARG   1           HB2      ARG   1   2.160   3.302  -3.536
    6    HB3  ARG   1           HB1      ARG   1   3.092   2.929  -2.094
    7    HG2  ARG   1           HG2      ARG   1   5.126   2.794  -3.493
    8    HG3  ARG   1           HG1      ARG   1   4.163   3.295  -4.885
    9    HD2  ARG   1           HD2      ARG   1   5.329   5.201  -3.922
   10    HD3  ARG   1           HD1      ARG   1   3.585   5.378  -3.720
   11    HE   ARG   1           HE       ARG   1   4.504   4.166  -1.413
   12   HH11  ARG   1          HH11      ARG   1   5.063   7.202  -3.080
   13   HH12  ARG   1          HH12      ARG   1   5.406   8.077  -1.615
   14   HH21  ARG   1          HH21      ARG   1   4.985   5.317   0.496
   15   HH22  ARG   1          HH22      ARG   1   5.397   7.004   0.400
   16    H    ARG   2           HN       ARG   2   3.724  -0.929  -4.210
   17    HA   ARG   2           HA       ARG   2   6.208  -1.162  -2.999
   18    HB2  ARG   2           HB2      ARG   2   5.040  -1.113  -0.847
   19    HB3  ARG   2           HB1      ARG   2   3.971  -2.401  -1.374
   20    HG2  ARG   2           HG2      ARG   2   5.545  -3.378   0.081
   21    HG3  ARG   2           HG1      ARG   2   5.994  -3.876  -1.549
   22    HD2  ARG   2           HD2      ARG   2   7.244  -1.500  -0.203
   23    HD3  ARG   2           HD1      ARG   2   7.861  -3.133   0.026
   24    HE   ARG   2           HE       ARG   2   7.773  -1.725  -2.566
   25   HH11  ARG   2          HH11      ARG   2   9.148  -4.088  -0.400
   26   HH12  ARG   2          HH12      ARG   2  10.508  -4.448  -1.425
   27   HH21  ARG   2          HH21      ARG   2   9.548  -2.200  -3.951
   28   HH22  ARG   2          HH22      ARG   2  10.722  -3.390  -3.448
   29    H    THR   3           HN       THR   3   3.229  -3.042  -3.468
   30    HA   THR   3           HA       THR   3   4.703  -4.740  -5.376
   31    HB   THR   3           HB       THR   3   2.538  -5.807  -3.560
   32    HG1  THR   3           HG1      THR   3   5.361  -5.711  -3.188
   33   HG21  THR   3          HG21      THR   3   2.971  -7.032  -5.655
   34   HG22  THR   3          HG22      THR   3   3.416  -7.977  -4.234
   35   HG23  THR   3          HG23      THR   3   4.665  -7.189  -5.199
   36    H    CYS   4           HN       CYS   4   3.859  -3.877  -7.234
   37    HA   CYS   4           HA       CYS   4   0.955  -3.345  -7.267
   38    HB2  CYS   4           HB2      CYS   4   2.950  -2.098  -9.148
   39    HB3  CYS   4           HB1      CYS   4   1.333  -1.541  -8.737
   40    H    ARG   5           HN       ARG   5  -0.309  -4.306  -8.751
   41    HA   ARG   5           HA       ARG   5   0.538  -4.787 -11.395
   42    HB2  ARG   5           HB2      ARG   5   0.327  -7.203 -11.529
   43    HB3  ARG   5           HB1      ARG   5   1.612  -6.767 -10.416
   44    HG2  ARG   5           HG2      ARG   5   0.306  -7.356  -8.534
   45    HG3  ARG   5           HG1      ARG   5  -1.160  -7.481  -9.511
   46    HD2  ARG   5           HD2      ARG   5   1.273  -9.235  -9.830
   47    HD3  ARG   5           HD1      ARG   5  -0.178  -9.686  -8.933
   48    HE   ARG   5           HE       ARG   5  -1.374  -9.363 -11.124
   49   HH11  ARG   5          HH11      ARG   5   2.045 -10.145 -11.060
   50   HH12  ARG   5          HH12      ARG   5   1.996 -11.009 -12.565
   51   HH21  ARG   5          HH21      ARG   5  -1.431 -10.514 -13.106
   52   HH22  ARG   5          HH22      ARG   5   0.042 -11.217 -13.720
   53    H    CYS   6           HN       CYS   6  -1.182  -5.306 -12.775
   54    HA   CYS   6           HA       CYS   6  -3.756  -4.539 -11.803
   55    HB2  CYS   6           HB2      CYS   6  -3.432  -5.693 -14.498
   56    HB3  CYS   6           HB1      CYS   6  -4.124  -4.147 -14.005
   57    H    ARG   7           HN       ARG   7  -5.388  -5.861 -11.167
   58    HA   ARG   7           HA       ARG   7  -5.180  -8.718 -11.854
   59    HB2  ARG   7           HB2      ARG   7  -6.216  -9.218  -9.652
   60    HB3  ARG   7           HB1      ARG   7  -4.627  -8.478  -9.518
   61    HG2  ARG   7           HG2      ARG   7  -5.530  -6.411  -8.843
   62    HG3  ARG   7           HG1      ARG   7  -7.161  -6.877  -9.332
   63    HD2  ARG   7           HD2      ARG   7  -5.587  -8.183  -7.118
   64    HD3  ARG   7           HD1      ARG   7  -6.815  -6.939  -6.883
   65    HE   ARG   7           HE       ARG   7  -8.058  -8.899  -8.342
   66   HH11  ARG   7          HH11      ARG   7  -6.496  -8.665  -5.220
   67   HH12  ARG   7          HH12      ARG   7  -7.383 -10.002  -4.544
   68   HH21  ARG   7          HH21      ARG   7  -9.262 -10.628  -7.436
   69   HH22  ARG   7          HH22      ARG   7  -8.960 -11.097  -5.785
   70    H    PHE   8           HN       PHE   8  -7.105  -9.838 -12.201
   71    HA   PHE   8           HA       PHE   8  -9.132  -8.258 -13.427
   72    HB2  PHE   8           HB2      PHE   8 -10.237 -10.428 -13.889
   73    HB3  PHE   8           HB1      PHE   8  -8.550 -10.404 -14.387
   74    HD1  PHE   8           HD1      PHE   8  -6.897 -11.743 -13.238
   75    HD2  PHE   8           HD2      PHE   8 -10.983 -11.827 -12.067
   76    HE1  PHE   8           HE1      PHE   8  -6.481 -13.797 -11.950
   77    HE2  PHE   8           HE2      PHE   8 -10.575 -13.876 -10.773
   78    HZ   PHE   8           HZ       PHE   8  -8.323 -14.865 -10.711
   79    H    GLY   9           HN       GLY   9 -11.324  -8.115 -12.906
   80    HA2  GLY   9           HA2      GLY   9 -13.167  -7.964 -11.547
   81    HA3  GLY   9           HA1      GLY   9 -12.451  -9.207 -10.533
   82    H    ARG  10           HN       ARG  10 -13.268  -8.055  -8.711
   83    HA   ARG  10           HA       ARG  10 -12.299  -5.454  -8.041
   84    HB2  ARG  10           HB2      ARG  10 -13.138  -5.990  -5.751
   85    HB3  ARG  10           HB1      ARG  10 -14.345  -6.224  -7.007
   86    HG2  ARG  10           HG2      ARG  10 -14.449  -8.457  -6.685
   87    HG3  ARG  10           HG1      ARG  10 -12.736  -8.591  -6.289
   88    HD2  ARG  10           HD2      ARG  10 -14.221  -9.100  -4.379
   89    HD3  ARG  10           HD1      ARG  10 -13.132  -7.751  -4.069
   90    HE   ARG  10           HE       ARG  10 -15.700  -6.916  -5.037
   91   HH11  ARG  10          HH11      ARG  10 -13.968  -7.961  -2.184
   92   HH12  ARG  10          HH12      ARG  10 -14.943  -7.031  -1.084
   93   HH21  ARG  10          HH21      ARG  10 -17.006  -5.702  -3.590
   94   HH22  ARG  10          HH22      ARG  10 -16.674  -5.758  -1.884
   95    H    CYS  11           HN       CYS  11 -10.841  -4.987  -6.258
   96    HA   CYS  11           HA       CYS  11  -8.656  -6.928  -6.102
   97    HB2  CYS  11           HB2      CYS  11  -8.733  -4.008  -5.308
   98    HB3  CYS  11           HB1      CYS  11  -7.312  -5.045  -5.264
   99    H    PHE  12           HN       PHE  12  -7.520  -6.992  -3.912
  100    HA   PHE  12           HA       PHE  12  -9.498  -7.547  -1.889
  101    HB2  PHE  12           HB2      PHE  12  -7.395  -8.911  -2.276
  102    HB3  PHE  12           HB1      PHE  12  -6.491  -7.573  -1.577
  103    HD1  PHE  12           HD1      PHE  12  -9.436  -9.721  -0.787
  104    HD2  PHE  12           HD2      PHE  12  -5.992  -7.682   0.666
  105    HE1  PHE  12           HE1      PHE  12  -9.845 -10.635   1.460
  106    HE2  PHE  12           HE2      PHE  12  -6.398  -8.594   2.913
  107    HZ   PHE  12           HZ       PHE  12  -8.323 -10.071   3.312
  108    H    ARG  13           HN       ARG  13  -9.405  -6.558   0.274
  109    HA   ARG  13           HA       ARG  13  -9.623  -3.768  -0.048
  110    HB2  ARG  13           HB2      ARG  13 -10.346  -3.690   2.214
  111    HB3  ARG  13           HB1      ARG  13 -10.986  -5.163   1.503
  112    HG2  ARG  13           HG2      ARG  13  -9.147  -6.425   2.584
  113    HG3  ARG  13           HG1      ARG  13  -8.644  -4.930   3.378
  114    HD2  ARG  13           HD2      ARG  13 -11.070  -4.809   4.221
  115    HD3  ARG  13           HD1      ARG  13 -11.167  -6.508   3.758
  116    HE   ARG  13           HE       ARG  13  -8.955  -5.737   5.491
  117   HH11  ARG  13          HH11      ARG  13 -12.115  -7.221   5.177
  118   HH12  ARG  13          HH12      ARG  13 -12.067  -7.938   6.757
  119   HH21  ARG  13          HH21      ARG  13  -8.881  -6.686   7.560
  120   HH22  ARG  13          HH22      ARG  13 -10.232  -7.620   8.130
  121    H    ARG  14           HN       ARG  14  -6.893  -5.657   0.685
  122    HA   ARG  14           HA       ARG  14  -5.505  -3.549   2.126
  123    HB2  ARG  14           HB2      ARG  14  -4.540  -6.215   1.080
  124    HB3  ARG  14           HB1      ARG  14  -3.547  -5.089   1.991
  125    HG2  ARG  14           HG2      ARG  14  -5.129  -5.304   3.889
  126    HG3  ARG  14           HG1      ARG  14  -5.995  -6.541   2.970
  127    HD2  ARG  14           HD2      ARG  14  -3.935  -7.876   2.855
  128    HD3  ARG  14           HD1      ARG  14  -3.097  -6.649   3.802
  129    HE   ARG  14           HE       ARG  14  -5.465  -7.790   5.041
  130   HH11  ARG  14          HH11      ARG  14  -1.975  -7.875   4.699
  131   HH12  ARG  14          HH12      ARG  14  -1.721  -8.765   6.172
  132   HH21  ARG  14          HH21      ARG  14  -5.136  -8.959   6.976
  133   HH22  ARG  14          HH22      ARG  14  -3.524  -9.399   7.460
  134    H    GLU  15           HN       GLU  15  -6.144  -4.296  -1.085
  135    HA   GLU  15           HA       GLU  15  -3.580  -3.330  -2.091
  136    HB2  GLU  15           HB2      GLU  15  -5.935  -4.371  -3.672
  137    HB3  GLU  15           HB1      GLU  15  -4.280  -4.166  -4.235
  138    HG2  GLU  15           HG2      GLU  15  -3.549  -5.887  -2.636
  139    HG3  GLU  15           HG1      GLU  15  -5.226  -6.124  -2.153
  140    H    SER  16           HN       SER  16  -3.311  -1.275  -2.611
  141    HA   SER  16           HA       SER  16  -5.506   0.566  -2.562
  142    HB2  SER  16           HB2      SER  16  -2.631   1.046  -3.394
  143    HB3  SER  16           HB1      SER  16  -3.813   2.276  -2.942
  144    HG   SER  16           HG       SER  16  -3.472   0.285  -1.072
  145    H    TYR  17           HN       TYR  17  -6.653   1.353  -4.232
  146    HA   TYR  17           HA       TYR  17  -6.404   0.090  -6.791
  147    HB2  TYR  17           HB2      TYR  17  -8.475   1.165  -5.396
  148    HB3  TYR  17           HB1      TYR  17  -8.134   2.479  -6.512
  149    HD1  TYR  17           HD1      TYR  17  -9.879  -0.545  -6.033
  150    HD2  TYR  17           HD2      TYR  17  -7.999   1.800  -9.048
  151    HE1  TYR  17           HE1      TYR  17 -11.219  -1.685  -7.744
  152    HE2  TYR  17           HE2      TYR  17  -9.338   0.659 -10.772
  153    HH   TYR  17           HH       TYR  17 -10.536  -1.620 -10.979
  154    H    SER  18           HN       SER  18  -4.733   0.691  -8.043
  155    HA   SER  18           HA       SER  18  -3.813   3.426  -8.145
  156    HB2  SER  18           HB2      SER  18  -2.954   1.064  -9.836
  157    HB3  SER  18           HB1      SER  18  -2.091   2.590  -9.636
  158    HG   SER  18           HG       SER  18  -1.694   2.075  -7.503
  159    H    GLY  19           HN       GLY  19  -5.172   1.108 -10.476
  160    HA2  GLY  19           HA2      GLY  19  -6.815   2.977 -11.795
  161    HA3  GLY  19           HA1      GLY  19  -5.288   2.864 -12.661
  162    H    SER  20           HN       SER  20  -5.774   1.718 -14.467
  163    HA   SER  20           HA       SER  20  -6.790  -0.994 -14.064
  164    HB2  SER  20           HB2      SER  20  -8.338  -0.768 -15.970
  165    HB3  SER  20           HB1      SER  20  -8.749   0.354 -14.675
  166    HG   SER  20           HG       SER  20  -7.832   0.845 -17.246
  167    H    CYS  21           HN       CYS  21  -6.079  -2.502 -15.569
  168    HA   CYS  21           HA       CYS  21  -4.195  -1.519 -17.600
  169    HB2  CYS  21           HB2      CYS  21  -4.100  -4.064 -16.014
  170    HB3  CYS  21           HB1      CYS  21  -3.070  -3.724 -17.400
  171    H    ASN  22           HN       ASN  22  -4.674  -2.032 -19.662
  172    HA   ASN  22           HA       ASN  22  -6.940  -3.843 -20.089
  173    HB2  ASN  22           HB2      ASN  22  -7.015  -1.518 -21.039
  174    HB3  ASN  22           HB1      ASN  22  -5.675  -1.962 -22.091
  175   HD21  ASN  22          HD21      ASN  22  -9.037  -2.345 -21.420
  176   HD22  ASN  22          HD22      ASN  22  -9.457  -3.148 -22.892
  177    H    ILE  23           HN       ILE  23  -6.180  -5.866 -20.187
  178    HA   ILE  23           HA       ILE  23  -4.143  -6.456 -22.242
  179    HB   ILE  23           HB       ILE  23  -4.394  -7.886 -19.584
  180   HG12  ILE  23          HG12      ILE  23  -2.182  -6.028 -20.480
  181   HG13  ILE  23          HG11      ILE  23  -3.480  -5.567 -19.382
  182   HG21  ILE  23          HG21      ILE  23  -2.286  -8.976 -20.242
  183   HG22  ILE  23          HG22      ILE  23  -2.375  -8.165 -21.806
  184   HG23  ILE  23          HG23      ILE  23  -3.609  -9.340 -21.351
  185   HD11  ILE  23          HD11      ILE  23  -1.451  -6.102 -18.167
  186   HD12  ILE  23          HD12      ILE  23  -1.422  -7.710 -18.895
  187   HD13  ILE  23          HD13      ILE  23  -2.724  -7.261 -17.792
  188    H    ASN  24           HN       ASN  24  -4.776  -8.008 -23.661
  189    HA   ASN  24           HA       ASN  24  -5.913  -9.740 -24.610
  190    HB2  ASN  24           HB2      ASN  24  -5.297 -10.935 -22.525
  191    HB3  ASN  24           HB1      ASN  24  -6.779 -10.366 -21.773
  192   HD21  ASN  24          HD21      ASN  24  -5.409 -12.494 -24.166
  193   HD22  ASN  24          HD22      ASN  24  -6.799 -13.519 -24.331
  194    H    GLY  25           HN       GLY  25  -7.197  -7.060 -23.643
  195    HA2  GLY  25           HA2      GLY  25  -9.213  -6.062 -24.243
  196    HA3  GLY  25           HA1      GLY  25  -9.852  -7.653 -24.636
  197    H    ARG  26           HN       ARG  26  -8.345  -7.631 -21.647
  198    HA   ARG  26           HA       ARG  26 -10.936  -7.435 -20.281
  199    HB2  ARG  26           HB2      ARG  26  -8.499  -9.122 -19.723
  200    HB3  ARG  26           HB1      ARG  26  -9.749  -8.860 -18.515
  201    HG2  ARG  26           HG2      ARG  26 -11.385  -9.944 -19.853
  202    HG3  ARG  26           HG1      ARG  26 -10.299  -9.999 -21.242
  203    HD2  ARG  26           HD2      ARG  26 -10.521 -12.166 -20.061
  204    HD3  ARG  26           HD1      ARG  26  -8.867 -11.566 -20.134
  205    HE   ARG  26           HE       ARG  26  -9.063 -10.961 -17.804
  206   HH11  ARG  26          HH11      ARG  26 -11.649 -12.954 -19.054
  207   HH12  ARG  26          HH12      ARG  26 -11.994 -13.699 -17.517
  208   HH21  ARG  26          HH21      ARG  26  -9.491 -11.952 -15.782
  209   HH22  ARG  26          HH22      ARG  26 -10.769 -13.120 -15.653
  210    H    ILE  27           HN       ILE  27 -11.098  -6.164 -18.489
  211    HA   ILE  27           HA       ILE  27  -8.908  -4.273 -18.182
  212    HB   ILE  27           HB       ILE  27 -11.063  -3.283 -18.577
  213   HG12  ILE  27          HG12      ILE  27 -10.135  -2.887 -15.731
  214   HG13  ILE  27          HG11      ILE  27  -9.486  -2.095 -17.161
  215   HG21  ILE  27          HG21      ILE  27 -12.533  -5.003 -17.736
  216   HG22  ILE  27          HG22      ILE  27 -12.908  -3.463 -16.963
  217   HG23  ILE  27          HG23      ILE  27 -11.997  -4.691 -16.085
  218   HD11  ILE  27          HD11      ILE  27 -12.282  -1.773 -16.093
  219   HD12  ILE  27          HD12      ILE  27 -11.618  -0.974 -17.518
  220   HD13  ILE  27          HD13      ILE  27 -10.962  -0.618 -15.920
  221    H    PHE  28           HN       PHE  28  -7.415  -5.091 -16.888
  222    HA   PHE  28           HA       PHE  28  -8.136  -6.411 -14.411
  223    HB2  PHE  28           HB2      PHE  28  -5.434  -5.722 -15.589
  224    HB3  PHE  28           HB1      PHE  28  -5.691  -6.681 -14.137
  225    HD1  PHE  28           HD1      PHE  28  -5.778  -6.642 -17.772
  226    HD2  PHE  28           HD2      PHE  28  -6.604  -8.942 -14.286
  227    HE1  PHE  28           HE1      PHE  28  -5.904  -8.676 -19.146
  228    HE2  PHE  28           HE2      PHE  28  -6.733 -10.980 -15.658
  229    HZ   PHE  28           HZ       PHE  28  -6.383 -10.847 -18.092
  230    H    SER  29           HN       SER  29  -8.609  -5.231 -12.688
  231    HA   SER  29           HA       SER  29  -8.116  -2.495 -12.376
  232    HB2  SER  29           HB2      SER  29  -8.527  -4.547 -10.185
  233    HB3  SER  29           HB1      SER  29  -8.827  -2.813 -10.074
  234    HG   SER  29           HG       SER  29 -10.493  -4.712 -10.872
  235    H    LEU  30           HN       LEU  30  -6.169  -1.593 -12.274
  236    HA   LEU  30           HA       LEU  30  -3.847  -3.017 -11.383
  237    HB2  LEU  30           HB2      LEU  30  -3.616  -1.357 -13.124
  238    HB3  LEU  30           HB1      LEU  30  -4.297  -0.116 -12.093
  239    HG   LEU  30           HG       LEU  30  -2.320  -0.265 -10.624
  240   HD11  LEU  30          HD11      LEU  30  -1.281  -2.180 -12.705
  241   HD12  LEU  30          HD12      LEU  30  -1.689  -2.573 -11.034
  242   HD13  LEU  30          HD13      LEU  30  -0.341  -1.488 -11.382
  243   HD21  LEU  30          HD21      LEU  30  -1.688   0.222 -13.531
  244   HD22  LEU  30          HD22      LEU  30  -0.754   0.813 -12.157
  245   HD23  LEU  30          HD23      LEU  30  -2.402   1.386 -12.416
  246    H    CYS  31           HN       CYS  31  -3.834  -3.541  -9.285
  247    HA   CYS  31           HA       CYS  31  -4.188  -1.350  -7.360
  248    HB2  CYS  31           HB2      CYS  31  -5.043  -4.236  -7.080
  249    HB3  CYS  31           HB1      CYS  31  -5.037  -3.073  -5.757
  250    H    CYS  32           HN       CYS  32  -2.660  -1.157  -5.808
  251    HA   CYS  32           HA       CYS  32  -0.439  -3.074  -5.943
  252    HB2  CYS  32           HB2      CYS  32   0.127  -0.991  -7.116
  253    HB3  CYS  32           HB1      CYS  32  -0.294  -0.063  -5.679
  254    H    ARG  33           HN       ARG  33   0.215  -3.865  -4.054
  255    HA   ARG  33           HA       ARG  33  -1.039  -3.058  -1.606
  256    HB2  ARG  33           HB2      ARG  33   1.159  -5.032  -2.245
  257    HB3  ARG  33           HB1      ARG  33   0.691  -4.668  -0.591
  258    HG2  ARG  33           HG2      ARG  33  -0.510  -6.583  -1.088
  259    HG3  ARG  33           HG1      ARG  33  -1.682  -5.289  -1.327
  260    HD2  ARG  33           HD2      ARG  33  -1.979  -6.700  -3.168
  261    HD3  ARG  33           HD1      ARG  33  -1.007  -5.366  -3.788
  262    HE   ARG  33           HE       ARG  33   0.853  -7.188  -3.062
  263   HH11  ARG  33          HH11      ARG  33  -2.039  -7.407  -5.032
  264   HH12  ARG  33          HH12      ARG  33  -1.404  -8.673  -6.044
  265   HH21  ARG  33          HH21      ARG  33   1.674  -8.892  -4.373
  266   HH22  ARG  33          HH22      ARG  33   0.700  -9.519  -5.669
  Start of MODEL    3
    1    H1   ARG   1           HT1      ARG   1   1.648  -1.939  -0.073
    2    H2   ARG   1           HT2      ARG   1   0.774  -0.485  -0.094
    3    H3   ARG   1           HT3      ARG   1   2.386  -0.495   0.443
    4    HA   ARG   1           HA       ARG   1   1.476  -1.116  -2.309
    5    HB2  ARG   1           HB2      ARG   1   1.310   1.295  -1.543
    6    HB3  ARG   1           HB1      ARG   1   3.056   1.271  -1.343
    7    HG2  ARG   1           HG2      ARG   1   3.299   0.736  -3.738
    8    HG3  ARG   1           HG1      ARG   1   1.547   0.851  -3.917
    9    HD2  ARG   1           HD2      ARG   1   3.454   3.048  -3.126
   10    HD3  ARG   1           HD1      ARG   1   2.514   2.931  -4.613
   11    HE   ARG   1           HE       ARG   1   0.591   2.930  -2.739
   12   HH11  ARG   1          HH11      ARG   1   3.349   5.012  -3.278
   13   HH12  ARG   1          HH12      ARG   1   2.625   6.400  -2.527
   14   HH21  ARG   1          HH21      ARG   1  -0.390   4.762  -1.762
   15   HH22  ARG   1          HH22      ARG   1   0.494   6.258  -1.666
   16    H    ARG   2           HN       ARG   2   2.742  -3.095  -1.977
   17    HA   ARG   2           HA       ARG   2   5.630  -2.567  -2.264
   18    HB2  ARG   2           HB2      ARG   2   5.250  -3.717  -0.181
   19    HB3  ARG   2           HB1      ARG   2   4.227  -4.909  -0.966
   20    HG2  ARG   2           HG2      ARG   2   6.261  -5.997  -0.591
   21    HG3  ARG   2           HG1      ARG   2   6.276  -5.575  -2.302
   22    HD2  ARG   2           HD2      ARG   2   7.634  -4.004  -0.117
   23    HD3  ARG   2           HD1      ARG   2   8.435  -5.162  -1.172
   24    HE   ARG   2           HE       ARG   2   7.128  -2.736  -2.219
   25   HH11  ARG   2          HH11      ARG   2   9.861  -4.916  -2.060
   26   HH12  ARG   2          HH12      ARG   2  10.815  -4.005  -3.193
   27   HH21  ARG   2          HH21      ARG   2   8.352  -1.555  -3.727
   28   HH22  ARG   2          HH22      ARG   2   9.958  -2.088  -4.150
   29    H    THR   3           HN       THR   3   2.909  -4.642  -3.230
   30    HA   THR   3           HA       THR   3   4.474  -5.382  -5.626
   31    HB   THR   3           HB       THR   3   2.442  -7.183  -4.302
   32    HG1  THR   3           HG1      THR   3   4.029  -7.222  -2.826
   33   HG21  THR   3          HG21      THR   3   2.844  -7.651  -6.657
   34   HG22  THR   3          HG22      THR   3   3.564  -8.918  -5.661
   35   HG23  THR   3          HG23      THR   3   4.585  -7.671  -6.376
   36    H    CYS   4           HN       CYS   4   3.579  -4.166  -7.181
   37    HA   CYS   4           HA       CYS   4   0.671  -3.807  -7.156
   38    HB2  CYS   4           HB2      CYS   4   2.586  -2.447  -9.045
   39    HB3  CYS   4           HB1      CYS   4   0.999  -1.904  -8.517
   40    H    ARG   5           HN       ARG   5  -0.615  -4.725  -8.660
   41    HA   ARG   5           HA       ARG   5   0.197  -5.256 -11.312
   42    HB2  ARG   5           HB2      ARG   5   0.072  -7.664 -11.378
   43    HB3  ARG   5           HB1      ARG   5   1.313  -7.199 -10.226
   44    HG2  ARG   5           HG2      ARG   5   0.203  -8.082  -8.474
   45    HG3  ARG   5           HG1      ARG   5  -1.383  -7.643  -9.117
   46    HD2  ARG   5           HD2      ARG   5   0.356  -9.894 -10.124
   47    HD3  ARG   5           HD1      ARG   5  -1.056 -10.079  -9.078
   48    HE   ARG   5           HE       ARG   5  -2.191  -8.835 -11.080
   49   HH11  ARG   5          HH11      ARG   5   0.252 -11.346 -11.285
   50   HH12  ARG   5          HH12      ARG   5  -0.328 -11.943 -12.815
   51   HH21  ARG   5          HH21      ARG   5  -2.922  -9.595 -13.081
   52   HH22  ARG   5          HH22      ARG   5  -2.132 -10.947 -13.841
   53    H    CYS   6           HN       CYS   6  -1.574  -5.799 -12.637
   54    HA   CYS   6           HA       CYS   6  -4.110  -5.114 -11.462
   55    HB2  CYS   6           HB2      CYS   6  -3.762  -5.916 -14.305
   56    HB3  CYS   6           HB1      CYS   6  -4.649  -4.553 -13.615
   57    H    ARG   7           HN       ARG   7  -5.643  -6.534 -10.837
   58    HA   ARG   7           HA       ARG   7  -5.495  -9.301 -11.863
   59    HB2  ARG   7           HB2      ARG   7  -6.487 -10.035  -9.737
   60    HB3  ARG   7           HB1      ARG   7  -4.976  -9.178  -9.471
   61    HG2  ARG   7           HG2      ARG   7  -6.310  -7.134  -8.958
   62    HG3  ARG   7           HG1      ARG   7  -7.764  -8.129  -9.034
   63    HD2  ARG   7           HD2      ARG   7  -5.439  -8.487  -7.145
   64    HD3  ARG   7           HD1      ARG   7  -7.026  -7.842  -6.733
   65    HE   ARG   7           HE       ARG   7  -7.335 -10.408  -7.839
   66   HH11  ARG   7          HH11      ARG   7  -6.190  -8.813  -4.928
   67   HH12  ARG   7          HH12      ARG   7  -6.438 -10.215  -3.926
   68   HH21  ARG   7          HH21      ARG   7  -7.690 -12.231  -6.513
   69   HH22  ARG   7          HH22      ARG   7  -7.276 -12.159  -4.820
   70    H    PHE   8           HN       PHE   8  -7.367 -10.262 -12.623
   71    HA   PHE   8           HA       PHE   8  -9.432  -8.410 -13.408
   72    HB2  PHE   8           HB2      PHE   8  -8.598 -10.167 -14.949
   73    HB3  PHE   8           HB1      PHE   8  -9.263 -11.394 -13.879
   74    HD1  PHE   8           HD1      PHE   8 -10.173  -8.535 -16.044
   75    HD2  PHE   8           HD2      PHE   8 -11.505 -12.053 -14.051
   76    HE1  PHE   8           HE1      PHE   8 -12.314  -8.404 -17.252
   77    HE2  PHE   8           HE2      PHE   8 -13.648 -11.927 -15.248
   78    HZ   PHE   8           HZ       PHE   8 -14.055 -10.105 -16.851
   79    H    GLY   9           HN       GLY   9 -11.036  -7.888 -12.123
   80    HA2  GLY   9           HA2      GLY   9 -13.092  -8.852 -11.060
   81    HA3  GLY   9           HA1      GLY   9 -11.979  -9.882 -10.163
   82    H    ARG  10           HN       ARG  10 -12.312  -9.186  -8.127
   83    HA   ARG  10           HA       ARG  10 -12.161  -6.306  -7.610
   84    HB2  ARG  10           HB2      ARG  10 -13.088  -6.850  -5.383
   85    HB3  ARG  10           HB1      ARG  10 -14.133  -7.393  -6.689
   86    HG2  ARG  10           HG2      ARG  10 -13.336  -9.667  -6.415
   87    HG3  ARG  10           HG1      ARG  10 -12.224  -9.139  -5.151
   88    HD2  ARG  10           HD2      ARG  10 -14.113  -8.430  -3.776
   89    HD3  ARG  10           HD1      ARG  10 -15.232  -8.939  -5.042
   90    HE   ARG  10           HE       ARG  10 -13.919 -11.209  -4.596
   91   HH11  ARG  10          HH11      ARG  10 -15.241  -8.888  -2.329
   92   HH12  ARG  10          HH12      ARG  10 -15.551 -10.072  -1.102
   93   HH21  ARG  10          HH21      ARG  10 -14.372 -12.772  -3.005
   94   HH22  ARG  10          HH22      ARG  10 -15.092 -12.289  -1.495
   95    H    CYS  11           HN       CYS  11 -11.088  -5.750  -5.467
   96    HA   CYS  11           HA       CYS  11  -8.652  -7.352  -5.069
   97    HB2  CYS  11           HB2      CYS  11  -8.848  -4.329  -5.101
   98    HB3  CYS  11           HB1      CYS  11  -7.398  -5.257  -4.740
   99    H    PHE  12           HN       PHE  12  -7.567  -6.630  -2.937
  100    HA   PHE  12           HA       PHE  12  -9.610  -6.348  -0.863
  101    HB2  PHE  12           HB2      PHE  12  -6.648  -6.959  -0.679
  102    HB3  PHE  12           HB1      PHE  12  -7.732  -6.847   0.704
  103    HD1  PHE  12           HD1      PHE  12  -9.358  -8.576   1.155
  104    HD2  PHE  12           HD2      PHE  12  -6.732  -8.853  -2.182
  105    HE1  PHE  12           HE1      PHE  12  -9.925 -10.959   0.912
  106    HE2  PHE  12           HE2      PHE  12  -7.296 -11.233  -2.433
  107    HZ   PHE  12           HZ       PHE  12  -8.892 -12.289  -0.887
  108    H    ARG  13           HN       ARG  13  -9.043  -4.794   0.988
  109    HA   ARG  13           HA       ARG  13  -8.610  -2.230  -0.201
  110    HB2  ARG  13           HB2      ARG  13 -10.217  -2.605   1.652
  111    HB3  ARG  13           HB1      ARG  13  -8.862  -2.896   2.735
  112    HG2  ARG  13           HG2      ARG  13  -8.102  -0.655   2.519
  113    HG3  ARG  13           HG1      ARG  13  -9.232  -0.334   1.204
  114    HD2  ARG  13           HD2      ARG  13 -10.012   0.652   3.286
  115    HD3  ARG  13           HD1      ARG  13 -11.104  -0.620   2.743
  116    HE   ARG  13           HE       ARG  13  -9.298  -1.798   4.488
  117   HH11  ARG  13          HH11      ARG  13 -11.708   0.739   4.616
  118   HH12  ARG  13          HH12      ARG  13 -12.154   0.417   6.268
  119   HH21  ARG  13          HH21      ARG  13  -9.862  -2.217   6.656
  120   HH22  ARG  13          HH22      ARG  13 -11.102  -1.278   7.428
  121    H    ARG  14           HN       ARG  14  -6.563  -4.494   1.439
  122    HA   ARG  14           HA       ARG  14  -4.478  -2.767   2.213
  123    HB2  ARG  14           HB2      ARG  14  -4.489  -5.053   2.993
  124    HB3  ARG  14           HB1      ARG  14  -4.415  -5.667   1.348
  125    HG2  ARG  14           HG2      ARG  14  -2.173  -4.806   1.083
  126    HG3  ARG  14           HG1      ARG  14  -2.244  -4.056   2.677
  127    HD2  ARG  14           HD2      ARG  14  -2.502  -7.021   2.198
  128    HD3  ARG  14           HD1      ARG  14  -0.983  -6.216   2.591
  129    HE   ARG  14           HE       ARG  14  -2.842  -5.484   4.535
  130   HH11  ARG  14          HH11      ARG  14  -1.174  -8.357   3.439
  131   HH12  ARG  14          HH12      ARG  14  -1.205  -9.121   4.993
  132   HH21  ARG  14          HH21      ARG  14  -2.895  -6.493   6.582
  133   HH22  ARG  14          HH22      ARG  14  -2.184  -8.067   6.785
  134    H    GLU  15           HN       GLU  15  -5.257  -4.331  -0.837
  135    HA   GLU  15           HA       GLU  15  -2.969  -3.070  -2.130
  136    HB2  GLU  15           HB2      GLU  15  -3.993  -4.333  -4.170
  137    HB3  GLU  15           HB1      GLU  15  -3.142  -5.241  -2.929
  138    HG2  GLU  15           HG2      GLU  15  -5.419  -5.631  -1.876
  139    HG3  GLU  15           HG1      GLU  15  -6.097  -5.026  -3.386
  140    H    SER  16           HN       SER  16  -3.194  -1.084  -2.841
  141    HA   SER  16           HA       SER  16  -5.804   0.116  -2.970
  142    HB2  SER  16           HB2      SER  16  -3.088   1.301  -3.581
  143    HB3  SER  16           HB1      SER  16  -4.582   2.203  -3.322
  144    HG   SER  16           HG       SER  16  -4.225   0.539  -1.269
  145    H    TYR  17           HN       TYR  17  -7.017   0.407  -4.698
  146    HA   TYR  17           HA       TYR  17  -6.284  -0.553  -7.267
  147    HB2  TYR  17           HB2      TYR  17  -8.602  -0.547  -6.387
  148    HB3  TYR  17           HB1      TYR  17  -8.605   1.208  -6.429
  149    HD1  TYR  17           HD1      TYR  17  -8.502  -1.828  -8.539
  150    HD2  TYR  17           HD2      TYR  17  -9.124   2.379  -8.432
  151    HE1  TYR  17           HE1      TYR  17  -9.415  -1.908 -10.819
  152    HE2  TYR  17           HE2      TYR  17 -10.030   2.307 -10.718
  153    HH   TYR  17           HH       TYR  17 -10.015   0.922 -12.679
  154    H    SER  18           HN       SER  18  -4.753   0.449  -8.375
  155    HA   SER  18           HA       SER  18  -4.381   3.312  -8.208
  156    HB2  SER  18           HB2      SER  18  -2.918   1.295  -9.921
  157    HB3  SER  18           HB1      SER  18  -2.383   2.926  -9.507
  158    HG   SER  18           HG       SER  18  -2.993   1.368  -7.328
  159    H    GLY  19           HN       GLY  19  -5.416   0.928 -10.608
  160    HA2  GLY  19           HA2      GLY  19  -7.080   2.701 -12.000
  161    HA3  GLY  19           HA1      GLY  19  -5.528   2.651 -12.825
  162    H    SER  20           HN       SER  20  -6.522   1.721 -14.652
  163    HA   SER  20           HA       SER  20  -7.438  -1.054 -14.263
  164    HB2  SER  20           HB2      SER  20  -9.141   0.597 -15.107
  165    HB3  SER  20           HB1      SER  20  -8.157   0.779 -16.558
  166    HG   SER  20           HG       SER  20  -9.697  -1.376 -15.697
  167    H    CYS  21           HN       CYS  21  -6.879  -2.606 -15.900
  168    HA   CYS  21           HA       CYS  21  -4.502  -1.903 -17.481
  169    HB2  CYS  21           HB2      CYS  21  -4.797  -4.225 -15.621
  170    HB3  CYS  21           HB1      CYS  21  -3.526  -4.089 -16.834
  171    H    ASN  22           HN       ASN  22  -5.072  -2.263 -19.557
  172    HA   ASN  22           HA       ASN  22  -6.806  -4.483 -20.263
  173    HB2  ASN  22           HB2      ASN  22  -6.946  -2.336 -21.505
  174    HB3  ASN  22           HB1      ASN  22  -5.292  -2.569 -22.061
  175   HD21  ASN  22          HD21      ASN  22  -5.779  -2.678 -24.223
  176   HD22  ASN  22          HD22      ASN  22  -6.671  -3.984 -24.922
  177    H    ILE  23           HN       ILE  23  -5.838  -6.448 -20.043
  178    HA   ILE  23           HA       ILE  23  -3.231  -6.786 -21.365
  179    HB   ILE  23           HB       ILE  23  -3.936  -7.965 -18.671
  180   HG12  ILE  23          HG12      ILE  23  -1.937  -5.812 -19.414
  181   HG13  ILE  23          HG11      ILE  23  -3.454  -5.550 -18.558
  182   HG21  ILE  23          HG21      ILE  23  -2.545  -9.467 -19.958
  183   HG22  ILE  23          HG22      ILE  23  -1.592  -8.735 -18.667
  184   HG23  ILE  23          HG23      ILE  23  -1.423  -8.157 -20.325
  185   HD11  ILE  23          HD11      ILE  23  -1.544  -5.534 -17.047
  186   HD12  ILE  23          HD12      ILE  23  -1.123  -7.172 -17.552
  187   HD13  ILE  23          HD13      ILE  23  -2.632  -6.873 -16.690
  188    H    ASN  24           HN       ASN  24  -3.756  -7.977 -23.049
  189    HA   ASN  24           HA       ASN  24  -4.341  -9.758 -24.305
  190    HB2  ASN  24           HB2      ASN  24  -3.854 -11.202 -21.696
  191    HB3  ASN  24           HB1      ASN  24  -4.085 -12.011 -23.245
  192   HD21  ASN  24          HD21      ASN  24  -2.545 -11.642 -24.910
  193   HD22  ASN  24          HD22      ASN  24  -0.918 -11.182 -24.519
  194    H    GLY  25           HN       GLY  25  -6.553  -8.469 -23.914
  195    HA2  GLY  25           HA2      GLY  25  -8.741  -8.987 -24.507
  196    HA3  GLY  25           HA1      GLY  25  -8.449 -10.650 -24.036
  197    H    ARG  26           HN       ARG  26  -7.406  -9.112 -21.402
  198    HA   ARG  26           HA       ARG  26 -10.107  -8.997 -20.240
  199    HB2  ARG  26           HB2      ARG  26  -7.568 -10.028 -18.972
  200    HB3  ARG  26           HB1      ARG  26  -9.064  -9.750 -18.094
  201    HG2  ARG  26           HG2      ARG  26 -10.164 -11.399 -19.611
  202    HG3  ARG  26           HG1      ARG  26  -8.568 -11.756 -20.277
  203    HD2  ARG  26           HD2      ARG  26  -7.783 -12.367 -18.032
  204    HD3  ARG  26           HD1      ARG  26  -9.392 -12.046 -17.390
  205    HE   ARG  26           HE       ARG  26  -9.219 -14.010 -19.528
  206   HH11  ARG  26          HH11      ARG  26  -9.427 -13.405 -16.086
  207   HH12  ARG  26          HH12      ARG  26  -9.956 -15.008 -15.702
  208   HH21  ARG  26          HH21      ARG  26  -9.901 -16.130 -19.024
  209   HH22  ARG  26          HH22      ARG  26 -10.212 -16.569 -17.370
  210    H    ILE  27           HN       ILE  27 -10.568  -7.344 -18.874
  211    HA   ILE  27           HA       ILE  27  -8.536  -5.259 -18.665
  212    HB   ILE  27           HB       ILE  27 -10.590  -4.515 -19.675
  213   HG12  ILE  27          HG12      ILE  27 -10.331  -3.491 -16.853
  214   HG13  ILE  27          HG11      ILE  27  -9.371  -2.975 -18.236
  215   HG21  ILE  27          HG21      ILE  27 -11.984  -5.456 -17.177
  216   HG22  ILE  27          HG22      ILE  27 -12.149  -6.131 -18.798
  217   HG23  ILE  27          HG23      ILE  27 -12.725  -4.499 -18.460
  218   HD11  ILE  27          HD11      ILE  27 -11.105  -1.361 -17.726
  219   HD12  ILE  27          HD12      ILE  27 -12.341  -2.606 -17.901
  220   HD13  ILE  27          HD13      ILE  27 -11.395  -2.103 -19.301
  221    H    PHE  28           HN       PHE  28  -7.325  -5.637 -16.966
  222    HA   PHE  28           HA       PHE  28  -8.404  -6.867 -14.575
  223    HB2  PHE  28           HB2      PHE  28  -5.591  -5.987 -15.261
  224    HB3  PHE  28           HB1      PHE  28  -6.047  -6.892 -13.826
  225    HD1  PHE  28           HD1      PHE  28  -6.369  -9.230 -13.904
  226    HD2  PHE  28           HD2      PHE  28  -5.729  -7.035 -17.484
  227    HE1  PHE  28           HE1      PHE  28  -5.991 -11.334 -15.117
  228    HE2  PHE  28           HE2      PHE  28  -5.353  -9.131 -18.706
  229    HZ   PHE  28           HZ       PHE  28  -5.483 -11.287 -17.523
  230    H    SER  29           HN       SER  29  -8.024  -6.006 -12.454
  231    HA   SER  29           HA       SER  29  -8.172  -3.091 -12.323
  232    HB2  SER  29           HB2      SER  29  -8.499  -5.077 -10.065
  233    HB3  SER  29           HB1      SER  29  -9.039  -3.400 -10.110
  234    HG   SER  29           HG       SER  29 -10.394  -5.551 -10.811
  235    H    LEU  30           HN       LEU  30  -6.283  -2.042 -12.058
  236    HA   LEU  30           HA       LEU  30  -3.907  -3.398 -11.215
  237    HB2  LEU  30           HB2      LEU  30  -3.716  -1.644 -12.842
  238    HB3  LEU  30           HB1      LEU  30  -4.494  -0.494 -11.774
  239    HG   LEU  30           HG       LEU  30  -2.557  -0.552 -10.275
  240   HD11  LEU  30          HD11      LEU  30  -0.514  -1.709 -10.909
  241   HD12  LEU  30          HD12      LEU  30  -1.323  -2.395 -12.317
  242   HD13  LEU  30          HD13      LEU  30  -1.839  -2.853 -10.695
  243   HD21  LEU  30          HD21      LEU  30  -2.604   1.105 -12.039
  244   HD22  LEU  30          HD22      LEU  30  -1.865  -0.035 -13.163
  245   HD23  LEU  30          HD23      LEU  30  -0.950   0.552 -11.773
  246    H    CYS  31           HN       CYS  31  -3.762  -4.021  -9.163
  247    HA   CYS  31           HA       CYS  31  -4.260  -1.995  -7.095
  248    HB2  CYS  31           HB2      CYS  31  -4.958  -4.939  -6.935
  249    HB3  CYS  31           HB1      CYS  31  -5.143  -3.775  -5.626
  250    H    CYS  32           HN       CYS  32  -2.821  -1.991  -5.360
  251    HA   CYS  32           HA       CYS  32  -0.476  -3.719  -5.675
  252    HB2  CYS  32           HB2      CYS  32  -0.098  -1.488  -6.704
  253    HB3  CYS  32           HB1      CYS  32  -0.407  -0.742  -5.138
  254    H    ARG  33           HN       ARG  33  -0.352  -4.880  -3.876
  255    HA   ARG  33           HA       ARG  33  -1.201  -3.709  -1.341
  256    HB2  ARG  33           HB2      ARG  33  -1.142  -5.924  -0.404
  257    HB3  ARG  33           HB1      ARG  33  -1.998  -5.998  -1.932
  258    HG2  ARG  33           HG2      ARG  33   0.907  -6.724  -1.694
  259    HG3  ARG  33           HG1      ARG  33  -0.386  -7.883  -1.393
  260    HD2  ARG  33           HD2      ARG  33   0.007  -6.345  -3.956
  261    HD3  ARG  33           HD1      ARG  33   0.518  -8.009  -3.683
  262    HE   ARG  33           HE       ARG  33  -2.308  -7.431  -3.266
  263   HH11  ARG  33          HH11      ARG  33   0.168  -8.690  -5.400
  264   HH12  ARG  33          HH12      ARG  33  -0.955  -9.576  -6.384
  265   HH21  ARG  33          HH21      ARG  33  -3.780  -8.568  -4.562
  266   HH22  ARG  33          HH22      ARG  33  -3.196  -9.504  -5.914
  Start of MODEL    4
    1    H1   ARG   1           HT1      ARG   1   2.711  -0.905  -0.541
    2    H2   ARG   1           HT2      ARG   1   1.985  -2.305  -1.181
    3    H3   ARG   1           HT3      ARG   1   1.027  -0.981  -0.726
    4    HA   ARG   1           HA       ARG   1   1.399  -1.245  -3.161
    5    HB2  ARG   1           HB2      ARG   1   2.201   1.267  -1.702
    6    HB3  ARG   1           HB1      ARG   1   1.995   1.212  -3.447
    7    HG2  ARG   1           HG2      ARG   1  -0.281   0.973  -3.312
    8    HG3  ARG   1           HG1      ARG   1  -0.215   0.232  -1.712
    9    HD2  ARG   1           HD2      ARG   1   0.466   3.119  -2.236
   10    HD3  ARG   1           HD1      ARG   1  -1.148   2.569  -1.786
   11    HE   ARG   1           HE       ARG   1   0.228   1.536   0.199
   12   HH11  ARG   1          HH11      ARG   1   0.636   4.677  -1.292
   13   HH12  ARG   1          HH12      ARG   1   1.183   5.441   0.175
   14   HH21  ARG   1          HH21      ARG   1   0.931   2.523   2.125
   15   HH22  ARG   1          HH22      ARG   1   1.321   4.224   2.137
   16    H    ARG   2           HN       ARG   2   3.121  -2.774  -3.553
   17    HA   ARG   2           HA       ARG   2   5.624  -1.383  -4.203
   18    HB2  ARG   2           HB2      ARG   2   6.964  -3.216  -3.353
   19    HB3  ARG   2           HB1      ARG   2   5.939  -2.590  -2.068
   20    HG2  ARG   2           HG2      ARG   2   4.367  -4.448  -2.466
   21    HG3  ARG   2           HG1      ARG   2   5.480  -5.092  -3.672
   22    HD2  ARG   2           HD2      ARG   2   7.225  -5.153  -1.846
   23    HD3  ARG   2           HD1      ARG   2   5.921  -4.805  -0.709
   24    HE   ARG   2           HE       ARG   2   5.425  -7.055  -2.439
   25   HH11  ARG   2          HH11      ARG   2   6.672  -6.005   0.664
   26   HH12  ARG   2          HH12      ARG   2   6.655  -7.605   1.345
   27   HH21  ARG   2          HH21      ARG   2   5.375  -9.132  -1.545
   28   HH22  ARG   2          HH22      ARG   2   5.909  -9.383   0.092
   29    H    THR   3           HN       THR   3   3.218  -3.720  -4.977
   30    HA   THR   3           HA       THR   3   4.573  -4.241  -7.541
   31    HB   THR   3           HB       THR   3   3.036  -6.333  -5.984
   32    HG1  THR   3           HG1      THR   3   5.855  -6.036  -6.352
   33   HG21  THR   3          HG21      THR   3   2.990  -6.635  -8.415
   34   HG22  THR   3          HG22      THR   3   3.958  -7.884  -7.636
   35   HG23  THR   3          HG23      THR   3   4.753  -6.544  -8.462
   36    H    CYS   4           HN       CYS   4   3.296  -3.170  -8.933
   37    HA   CYS   4           HA       CYS   4   0.409  -3.115  -8.427
   38    HB2  CYS   4           HB2      CYS   4   1.813  -1.433 -10.480
   39    HB3  CYS   4           HB1      CYS   4   0.332  -1.088  -9.595
   40    H    ARG   5           HN       ARG   5  -1.038  -3.967  -9.841
   41    HA   ARG   5           HA       ARG   5  -0.473  -4.330 -12.600
   42    HB2  ARG   5           HB2      ARG   5  -0.584  -6.741 -12.760
   43    HB3  ARG   5           HB1      ARG   5   0.757  -6.294 -11.717
   44    HG2  ARG   5           HG2      ARG   5  -0.344  -7.025  -9.790
   45    HG3  ARG   5           HG1      ARG   5  -1.919  -7.031 -10.589
   46    HD2  ARG   5           HD2      ARG   5   0.368  -8.855 -11.312
   47    HD3  ARG   5           HD1      ARG   5  -0.953  -9.297 -10.230
   48    HE   ARG   5           HE       ARG   5  -2.462  -9.145 -12.095
   49   HH11  ARG   5          HH11      ARG   5   0.937  -8.994 -12.935
   50   HH12  ARG   5          HH12      ARG   5   0.676  -9.450 -14.596
   51   HH21  ARG   5          HH21      ARG   5  -2.811  -9.754 -14.256
   52   HH22  ARG   5          HH22      ARG   5  -1.461  -9.874 -15.356
   53    H    CYS   6           HN       CYS   6  -2.314  -4.885 -13.797
   54    HA   CYS   6           HA       CYS   6  -4.827  -4.394 -12.544
   55    HB2  CYS   6           HB2      CYS   6  -4.772  -5.487 -15.269
   56    HB3  CYS   6           HB1      CYS   6  -5.405  -3.946 -14.684
   57    H    ARG   7           HN       ARG   7  -5.983  -5.910 -11.487
   58    HA   ARG   7           HA       ARG   7  -5.547  -8.725 -12.225
   59    HB2  ARG   7           HB2      ARG   7  -6.099  -9.337  -9.943
   60    HB3  ARG   7           HB1      ARG   7  -4.786  -8.168  -9.945
   61    HG2  ARG   7           HG2      ARG   7  -6.186  -6.439  -9.184
   62    HG3  ARG   7           HG1      ARG   7  -7.649  -7.359  -9.546
   63    HD2  ARG   7           HD2      ARG   7  -5.606  -7.990  -7.419
   64    HD3  ARG   7           HD1      ARG   7  -7.235  -7.362  -7.158
   65    HE   ARG   7           HE       ARG   7  -7.488  -9.718  -8.601
   66   HH11  ARG   7          HH11      ARG   7  -6.392  -8.703  -5.433
   67   HH12  ARG   7          HH12      ARG   7  -6.765 -10.230  -4.688
   68   HH21  ARG   7          HH21      ARG   7  -7.961 -11.717  -7.633
   69   HH22  ARG   7          HH22      ARG   7  -7.651 -11.947  -5.937
   70    H    PHE   8           HN       PHE   8  -7.393 -10.171 -11.782
   71    HA   PHE   8           HA       PHE   8  -9.576  -9.232 -13.334
   72    HB2  PHE   8           HB2      PHE   8  -8.687 -11.562 -13.381
   73    HB3  PHE   8           HB1      PHE   8  -9.364 -11.815 -11.776
   74    HD1  PHE   8           HD1      PHE   8 -10.134 -11.330 -15.325
   75    HD2  PHE   8           HD2      PHE   8 -11.722 -12.143 -11.464
   76    HE1  PHE   8           HE1      PHE   8 -12.259 -12.019 -16.348
   77    HE2  PHE   8           HE2      PHE   8 -13.852 -12.834 -12.482
   78    HZ   PHE   8           HZ       PHE   8 -14.124 -12.774 -14.927
   79    H    GLY   9           HN       GLY   9 -10.988  -7.818 -12.501
   80    HA2  GLY   9           HA2      GLY   9 -13.028  -7.409 -11.524
   81    HA3  GLY   9           HA1      GLY   9 -12.898  -8.943 -10.687
   82    H    ARG  10           HN       ARG  10 -12.389  -8.959  -8.581
   83    HA   ARG  10           HA       ARG  10 -12.600  -6.354  -7.299
   84    HB2  ARG  10           HB2      ARG  10 -12.963  -9.173  -6.289
   85    HB3  ARG  10           HB1      ARG  10 -13.081  -7.753  -5.260
   86    HG2  ARG  10           HG2      ARG  10 -14.753  -7.856  -7.714
   87    HG3  ARG  10           HG1      ARG  10 -15.210  -8.863  -6.339
   88    HD2  ARG  10           HD2      ARG  10 -14.700  -5.896  -6.170
   89    HD3  ARG  10           HD1      ARG  10 -16.297  -6.610  -6.393
   90    HE   ARG  10           HE       ARG  10 -15.005  -7.744  -4.136
   91   HH11  ARG  10          HH11      ARG  10 -16.649  -4.824  -5.184
   92   HH12  ARG  10          HH12      ARG  10 -17.164  -4.397  -3.579
   93   HH21  ARG  10          HH21      ARG  10 -15.718  -7.192  -2.031
   94   HH22  ARG  10          HH22      ARG  10 -16.643  -5.733  -1.799
   95    H    CYS  11           HN       CYS  11 -11.050  -5.416  -6.146
   96    HA   CYS  11           HA       CYS  11  -8.593  -6.922  -5.565
   97    HB2  CYS  11           HB2      CYS  11  -9.115  -3.941  -5.528
   98    HB3  CYS  11           HB1      CYS  11  -7.568  -4.706  -5.190
   99    H    PHE  12           HN       PHE  12  -7.620  -6.683  -3.445
  100    HA   PHE  12           HA       PHE  12  -9.543  -6.783  -1.321
  101    HB2  PHE  12           HB2      PHE  12  -7.405  -8.151  -1.499
  102    HB3  PHE  12           HB1      PHE  12  -6.533  -6.689  -1.056
  103    HD1  PHE  12           HD1      PHE  12  -9.269  -8.914   0.129
  104    HD2  PHE  12           HD2      PHE  12  -6.136  -6.230   1.176
  105    HE1  PHE  12           HE1      PHE  12  -9.611  -9.450   2.504
  106    HE2  PHE  12           HE2      PHE  12  -6.475  -6.761   3.555
  107    HZ   PHE  12           HZ       PHE  12  -8.215  -8.374   4.220
  108    H    ARG  13           HN       ARG  13  -9.177  -5.503   0.722
  109    HA   ARG  13           HA       ARG  13  -9.623  -2.797   0.134
  110    HB2  ARG  13           HB2      ARG  13 -10.485  -4.166   2.097
  111    HB3  ARG  13           HB1      ARG  13  -8.920  -3.903   2.849
  112    HG2  ARG  13           HG2      ARG  13 -10.278  -1.478   1.895
  113    HG3  ARG  13           HG1      ARG  13 -11.078  -2.331   3.214
  114    HD2  ARG  13           HD2      ARG  13  -9.157  -2.154   4.601
  115    HD3  ARG  13           HD1      ARG  13  -8.166  -1.571   3.263
  116    HE   ARG  13           HE       ARG  13  -9.910   0.366   3.312
  117   HH11  ARG  13          HH11      ARG  13  -8.613  -1.303   6.120
  118   HH12  ARG  13          HH12      ARG  13  -8.711   0.106   7.138
  119   HH21  ARG  13          HH21      ARG  13 -10.048   2.179   4.645
  120   HH22  ARG  13          HH22      ARG  13  -9.531   2.085   6.299
  121    H    ARG  14           HN       ARG  14  -6.683  -4.494   0.819
  122    HA   ARG  14           HA       ARG  14  -5.284  -1.961   1.237
  123    HB2  ARG  14           HB2      ARG  14  -4.532  -4.809   1.774
  124    HB3  ARG  14           HB1      ARG  14  -3.290  -3.569   1.642
  125    HG2  ARG  14           HG2      ARG  14  -4.552  -2.273   3.387
  126    HG3  ARG  14           HG1      ARG  14  -5.543  -3.713   3.623
  127    HD2  ARG  14           HD2      ARG  14  -3.643  -4.990   4.309
  128    HD3  ARG  14           HD1      ARG  14  -2.539  -3.691   3.849
  129    HE   ARG  14           HE       ARG  14  -4.425  -2.791   5.774
  130   HH11  ARG  14          HH11      ARG  14  -1.561  -4.775   5.480
  131   HH12  ARG  14          HH12      ARG  14  -0.980  -4.418   7.077
  132   HH21  ARG  14          HH21      ARG  14  -3.685  -2.317   7.883
  133   HH22  ARG  14          HH22      ARG  14  -2.203  -3.012   8.452
  134    H    GLU  15           HN       GLU  15  -6.235  -3.586  -1.370
  135    HA   GLU  15           HA       GLU  15  -3.726  -3.253  -2.833
  136    HB2  GLU  15           HB2      GLU  15  -6.414  -4.351  -3.692
  137    HB3  GLU  15           HB1      GLU  15  -5.036  -4.170  -4.771
  138    HG2  GLU  15           HG2      GLU  15  -3.742  -5.685  -3.321
  139    HG3  GLU  15           HG1      GLU  15  -5.175  -5.913  -2.322
  140    H    SER  16           HN       SER  16  -3.279  -1.314  -3.589
  141    HA   SER  16           HA       SER  16  -5.208   0.785  -3.557
  142    HB2  SER  16           HB2      SER  16  -3.281   2.122  -4.561
  143    HB3  SER  16           HB1      SER  16  -2.985   1.387  -2.985
  144    HG   SER  16           HG       SER  16  -1.908  -0.324  -4.085
  145    H    TYR  17           HN       TYR  17  -6.554   1.397  -5.108
  146    HA   TYR  17           HA       TYR  17  -6.497  -0.003  -7.640
  147    HB2  TYR  17           HB2      TYR  17  -8.573   0.477  -6.224
  148    HB3  TYR  17           HB1      TYR  17  -8.437   2.144  -6.769
  149    HD1  TYR  17           HD1      TYR  17  -9.506  -1.197  -7.602
  150    HD2  TYR  17           HD2      TYR  17  -8.716   2.658  -9.212
  151    HE1  TYR  17           HE1      TYR  17 -10.819  -1.767  -9.596
  152    HE2  TYR  17           HE2      TYR  17 -10.025   2.092 -11.216
  153    HH   TYR  17           HH       TYR  17 -10.710  -0.016 -12.434
  154    H    SER  18           HN       SER  18  -5.080   0.748  -9.075
  155    HA   SER  18           HA       SER  18  -4.490   3.569  -9.317
  156    HB2  SER  18           HB2      SER  18  -3.588   1.264 -11.064
  157    HB3  SER  18           HB1      SER  18  -2.887   2.881 -11.012
  158    HG   SER  18           HG       SER  18  -2.821   2.093  -8.557
  159    H    GLY  19           HN       GLY  19  -6.011   1.046 -11.276
  160    HA2  GLY  19           HA2      GLY  19  -7.930   2.721 -12.450
  161    HA3  GLY  19           HA1      GLY  19  -6.550   2.621 -13.537
  162    H    SER  20           HN       SER  20  -7.264   1.349 -15.150
  163    HA   SER  20           HA       SER  20  -7.893  -1.413 -14.487
  164    HB2  SER  20           HB2      SER  20  -9.760   0.292 -16.161
  165    HB3  SER  20           HB1      SER  20  -9.910  -1.446 -15.905
  166    HG   SER  20           HG       SER  20 -11.267  -0.292 -14.488
  167    H    CYS  21           HN       CYS  21  -7.323  -2.848 -16.084
  168    HA   CYS  21           HA       CYS  21  -6.079  -1.678 -18.476
  169    HB2  CYS  21           HB2      CYS  21  -5.269  -4.194 -17.053
  170    HB3  CYS  21           HB1      CYS  21  -4.504  -3.514 -18.484
  171    H    ASN  22           HN       ASN  22  -7.340  -2.103 -20.206
  172    HA   ASN  22           HA       ASN  22  -8.875  -4.570 -20.314
  173    HB2  ASN  22           HB2      ASN  22  -9.871  -2.501 -21.205
  174    HB3  ASN  22           HB1      ASN  22  -8.563  -2.368 -22.374
  175   HD21  ASN  22          HD21      ASN  22  -8.608  -3.614 -24.208
  176   HD22  ASN  22          HD22      ASN  22  -9.942  -4.623 -24.639
  177    H    ILE  23           HN       ILE  23  -7.590  -6.296 -20.564
  178    HA   ILE  23           HA       ILE  23  -5.465  -6.161 -22.603
  179    HB   ILE  23           HB       ILE  23  -5.607  -7.958 -20.173
  180   HG12  ILE  23          HG12      ILE  23  -3.833  -5.564 -20.716
  181   HG13  ILE  23          HG11      ILE  23  -5.195  -5.586 -19.600
  182   HG21  ILE  23          HG21      ILE  23  -4.441  -8.987 -22.056
  183   HG22  ILE  23          HG22      ILE  23  -3.319  -8.587 -20.756
  184   HG23  ILE  23          HG23      ILE  23  -3.399  -7.571 -22.195
  185   HD11  ILE  23          HD11      ILE  23  -3.114  -5.788 -18.398
  186   HD12  ILE  23          HD12      ILE  23  -2.658  -7.192 -19.362
  187   HD13  ILE  23          HD13      ILE  23  -4.031  -7.288 -18.259
  188    H    ASN  24           HN       ASN  24  -6.105  -7.120 -24.395
  189    HA   ASN  24           HA       ASN  24  -6.787  -8.689 -25.868
  190    HB2  ASN  24           HB2      ASN  24  -6.329 -10.508 -23.494
  191    HB3  ASN  24           HB1      ASN  24  -6.688 -11.087 -25.117
  192   HD21  ASN  24          HD21      ASN  24  -4.750 -12.143 -25.354
  193   HD22  ASN  24          HD22      ASN  24  -3.244 -11.304 -25.557
  194    H    GLY  25           HN       GLY  25  -8.767  -7.251 -24.318
  195    HA2  GLY  25           HA2      GLY  25 -11.093  -7.350 -24.843
  196    HA3  GLY  25           HA1      GLY  25 -10.993  -9.101 -24.818
  197    H    ARG  26           HN       ARG  26  -9.366  -8.774 -22.217
  198    HA   ARG  26           HA       ARG  26 -11.758  -8.589 -20.521
  199    HB2  ARG  26           HB2      ARG  26  -9.154 -10.047 -20.076
  200    HB3  ARG  26           HB1      ARG  26 -10.406  -9.881 -18.854
  201    HG2  ARG  26           HG2      ARG  26 -11.970 -11.016 -20.469
  202    HG3  ARG  26           HG1      ARG  26 -10.549 -11.380 -21.453
  203    HD2  ARG  26           HD2      ARG  26  -9.535 -12.535 -19.547
  204    HD3  ARG  26           HD1      ARG  26 -10.962 -12.177 -18.575
  205    HE   ARG  26           HE       ARG  26 -11.117 -13.817 -21.024
  206   HH11  ARG  26          HH11      ARG  26 -11.845 -13.279 -17.643
  207   HH12  ARG  26          HH12      ARG  26 -12.741 -14.753 -17.465
  208   HH21  ARG  26          HH21      ARG  26 -12.317 -15.744 -20.811
  209   HH22  ARG  26          HH22      ARG  26 -13.020 -16.158 -19.271
  210    H    ILE  27           HN       ILE  27 -11.917  -7.024 -19.075
  211    HA   ILE  27           HA       ILE  27  -9.621  -5.252 -18.787
  212    HB   ILE  27           HB       ILE  27 -11.769  -4.252 -19.457
  213   HG12  ILE  27          HG12      ILE  27 -10.831  -3.399 -16.714
  214   HG13  ILE  27          HG11      ILE  27 -10.077  -2.950 -18.240
  215   HG21  ILE  27          HG21      ILE  27 -13.302  -5.725 -18.283
  216   HG22  ILE  27          HG22      ILE  27 -13.603  -4.043 -17.844
  217   HG23  ILE  27          HG23      ILE  27 -12.738  -5.106 -16.730
  218   HD11  ILE  27          HD11      ILE  27 -11.485  -1.169 -17.319
  219   HD12  ILE  27          HD12      ILE  27 -12.884  -2.236 -17.420
  220   HD13  ILE  27          HD13      ILE  27 -12.057  -1.723 -18.891
  221    H    PHE  28           HN       PHE  28  -8.402  -5.279 -17.051
  222    HA   PHE  28           HA       PHE  28  -9.395  -6.639 -14.638
  223    HB2  PHE  28           HB2      PHE  28  -6.528  -6.233 -15.517
  224    HB3  PHE  28           HB1      PHE  28  -7.076  -7.182 -14.143
  225    HD1  PHE  28           HD1      PHE  28  -6.226  -7.213 -17.588
  226    HD2  PHE  28           HD2      PHE  28  -8.543  -9.230 -14.646
  227    HE1  PHE  28           HE1      PHE  28  -6.297  -9.207 -19.024
  228    HE2  PHE  28           HE2      PHE  28  -8.620 -11.231 -16.080
  229    HZ   PHE  28           HZ       PHE  28  -7.495 -11.222 -18.268
  230    H    SER  29           HN       SER  29  -9.262  -5.600 -12.698
  231    HA   SER  29           HA       SER  29  -8.950  -2.762 -12.693
  232    HB2  SER  29           HB2      SER  29  -9.185  -4.635 -10.326
  233    HB3  SER  29           HB1      SER  29  -9.544  -2.908 -10.353
  234    HG   SER  29           HG       SER  29 -11.207  -4.873 -10.822
  235    H    LEU  30           HN       LEU  30  -7.045  -1.731 -12.595
  236    HA   LEU  30           HA       LEU  30  -4.623  -3.142 -11.983
  237    HB2  LEU  30           HB2      LEU  30  -5.063  -1.123 -13.614
  238    HB3  LEU  30           HB1      LEU  30  -4.773  -0.157 -12.183
  239    HG   LEU  30           HG       LEU  30  -2.812  -2.120 -13.384
  240   HD11  LEU  30          HD11      LEU  30  -2.855   0.892 -13.441
  241   HD12  LEU  30          HD12      LEU  30  -3.163  -0.179 -14.809
  242   HD13  LEU  30          HD13      LEU  30  -1.565  -0.137 -14.064
  243   HD21  LEU  30          HD21      LEU  30  -2.526  -1.874 -10.964
  244   HD22  LEU  30          HD22      LEU  30  -2.452  -0.122 -11.149
  245   HD23  LEU  30          HD23      LEU  30  -1.189  -1.137 -11.847
  246    H    CYS  31           HN       CYS  31  -4.155  -3.645  -9.945
  247    HA   CYS  31           HA       CYS  31  -4.458  -1.552  -7.911
  248    HB2  CYS  31           HB2      CYS  31  -5.181  -4.473  -7.601
  249    HB3  CYS  31           HB1      CYS  31  -5.128  -3.307  -6.281
  250    H    CYS  32           HN       CYS  32  -2.797  -1.365  -6.480
  251    HA   CYS  32           HA       CYS  32  -0.445  -3.015  -7.079
  252    HB2  CYS  32           HB2      CYS  32  -0.401  -0.514  -7.532
  253    HB3  CYS  32           HB1      CYS  32  -0.473  -0.283  -5.790
  254    H    ARG  33           HN       ARG  33   0.354  -4.282  -5.557
  255    HA   ARG  33           HA       ARG  33  -0.746  -4.055  -2.841
  256    HB2  ARG  33           HB2      ARG  33   0.531  -6.418  -4.236
  257    HB3  ARG  33           HB1      ARG  33  -0.025  -6.420  -2.569
  258    HG2  ARG  33           HG2      ARG  33  -1.777  -7.415  -3.658
  259    HG3  ARG  33           HG1      ARG  33  -2.303  -5.733  -3.595
  260    HD2  ARG  33           HD2      ARG  33  -2.745  -6.485  -5.794
  261    HD3  ARG  33           HD1      ARG  33  -1.308  -5.468  -5.904
  262    HE   ARG  33           HE       ARG  33  -0.004  -7.386  -6.285
  263   HH11  ARG  33          HH11      ARG  33  -3.418  -8.094  -5.943
  264   HH12  ARG  33          HH12      ARG  33  -3.270  -9.708  -6.585
  265   HH21  ARG  33          HH21      ARG  33   0.197  -9.500  -7.147
  266   HH22  ARG  33          HH22      ARG  33  -1.218 -10.519  -7.250
  Start of MODEL    5
    1    H1   ARG   1           HT1      ARG   1   0.630  -0.074  -0.024
    2    H2   ARG   1           HT2      ARG   1   2.251  -0.164   0.469
    3    H3   ARG   1           HT3      ARG   1   1.569  -1.422  -0.438
    4    HA   ARG   1           HA       ARG   1   1.319   0.007  -2.340
    5    HB2  ARG   1           HB2      ARG   1   1.020   2.066  -0.908
    6    HB3  ARG   1           HB1      ARG   1   2.760   2.082  -0.677
    7    HG2  ARG   1           HG2      ARG   1   3.060   2.349  -3.105
    8    HG3  ARG   1           HG1      ARG   1   1.304   2.398  -3.295
    9    HD2  ARG   1           HD2      ARG   1   1.174   4.369  -1.904
   10    HD3  ARG   1           HD1      ARG   1   2.907   4.296  -1.590
   11    HE   ARG   1           HE       ARG   1   2.308   4.478  -4.384
   12   HH11  ARG   1          HH11      ARG   1   2.682   6.307  -1.428
   13   HH12  ARG   1          HH12      ARG   1   3.056   7.802  -2.245
   14   HH21  ARG   1          HH21      ARG   1   2.779   6.413  -5.472
   15   HH22  ARG   1          HH22      ARG   1   3.117   7.856  -4.563
   16    H    ARG   2           HN       ARG   2   2.966  -2.052  -1.428
   17    HA   ARG   2           HA       ARG   2   5.725  -1.308  -1.844
   18    HB2  ARG   2           HB2      ARG   2   5.555  -3.032  -0.300
   19    HB3  ARG   2           HB1      ARG   2   4.262  -3.830  -1.180
   20    HG2  ARG   2           HG2      ARG   2   6.280  -5.150  -1.263
   21    HG3  ARG   2           HG1      ARG   2   5.864  -4.567  -2.873
   22    HD2  ARG   2           HD2      ARG   2   7.503  -2.651  -2.385
   23    HD3  ARG   2           HD1      ARG   2   8.073  -3.659  -1.054
   24    HE   ARG   2           HE       ARG   2   8.162  -5.361  -3.138
   25   HH11  ARG   2          HH11      ARG   2   9.406  -2.114  -2.655
   26   HH12  ARG   2          HH12      ARG   2  10.695  -2.302  -3.807
   27   HH21  ARG   2          HH21      ARG   2   9.869  -5.608  -4.650
   28   HH22  ARG   2          HH22      ARG   2  10.968  -4.290  -4.926
   29    H    THR   3           HN       THR   3   3.289  -3.267  -3.563
   30    HA   THR   3           HA       THR   3   4.851  -2.836  -6.022
   31    HB   THR   3           HB       THR   3   3.650  -5.489  -5.191
   32    HG1  THR   3           HG1      THR   3   6.080  -4.361  -4.749
   33   HG21  THR   3          HG21      THR   3   4.693  -6.374  -7.212
   34   HG22  THR   3          HG22      THR   3   5.290  -4.767  -7.625
   35   HG23  THR   3          HG23      THR   3   3.556  -5.088  -7.621
   36    H    CYS   4           HN       CYS   4   3.609  -1.880  -7.474
   37    HA   CYS   4           HA       CYS   4   0.703  -2.090  -7.191
   38    HB2  CYS   4           HB2      CYS   4   2.172  -0.270  -9.097
   39    HB3  CYS   4           HB1      CYS   4   0.557  -0.079  -8.430
   40    H    ARG   5           HN       ARG   5  -0.556  -3.009  -8.776
   41    HA   ARG   5           HA       ARG   5   0.546  -3.732 -11.331
   42    HB2  ARG   5           HB2      ARG   5   0.281  -6.172 -11.003
   43    HB3  ARG   5           HB1      ARG   5   1.552  -5.486  -9.998
   44    HG2  ARG   5           HG2      ARG   5   0.110  -5.535  -8.066
   45    HG3  ARG   5           HG1      ARG   5  -1.241  -6.091  -9.056
   46    HD2  ARG   5           HD2      ARG   5   1.340  -7.592  -8.684
   47    HD3  ARG   5           HD1      ARG   5  -0.133  -7.894  -7.765
   48    HE   ARG   5           HE       ARG   5  -0.457  -8.036 -10.638
   49   HH11  ARG   5          HH11      ARG   5   0.310  -9.764  -7.699
   50   HH12  ARG   5          HH12      ARG   5  -0.075 -11.329  -8.354
   51   HH21  ARG   5          HH21      ARG   5  -0.980 -10.098 -11.512
   52   HH22  ARG   5          HH22      ARG   5  -0.861 -11.514 -10.511
   53    H    CYS   6           HN       CYS   6  -0.973  -4.388 -12.782
   54    HA   CYS   6           HA       CYS   6  -3.720  -3.935 -12.202
   55    HB2  CYS   6           HB2      CYS   6  -2.973  -5.363 -14.659
   56    HB3  CYS   6           HB1      CYS   6  -3.834  -3.839 -14.455
   57    H    ARG   7           HN       ARG   7  -5.060  -5.402 -11.279
   58    HA   ARG   7           HA       ARG   7  -4.640  -8.230 -11.955
   59    HB2  ARG   7           HB2      ARG   7  -5.515  -8.780  -9.656
   60    HB3  ARG   7           HB1      ARG   7  -3.923  -8.033  -9.685
   61    HG2  ARG   7           HG2      ARG   7  -4.902  -5.883  -9.083
   62    HG3  ARG   7           HG1      ARG   7  -6.512  -6.604  -9.094
   63    HD2  ARG   7           HD2      ARG   7  -4.251  -7.461  -7.291
   64    HD3  ARG   7           HD1      ARG   7  -5.551  -6.367  -6.822
   65    HE   ARG   7           HE       ARG   7  -6.980  -8.441  -7.573
   66   HH11  ARG   7          HH11      ARG   7  -4.086  -8.315  -5.623
   67   HH12  ARG   7          HH12      ARG   7  -4.405  -9.818  -4.816
   68   HH21  ARG   7          HH21      ARG   7  -7.436 -10.397  -6.490
   69   HH22  ARG   7          HH22      ARG   7  -6.315 -11.018  -5.316
   70    H    PHE   8           HN       PHE   8  -6.544  -9.536 -11.996
   71    HA   PHE   8           HA       PHE   8  -8.843  -7.970 -12.877
   72    HB2  PHE   8           HB2      PHE   8  -9.637 -10.055 -13.900
   73    HB3  PHE   8           HB1      PHE   8  -7.999  -9.680 -14.417
   74    HD1  PHE   8           HD1      PHE   8 -10.137 -12.049 -12.726
   75    HD2  PHE   8           HD2      PHE   8  -6.088 -10.968 -13.483
   76    HE1  PHE   8           HE1      PHE   8  -9.412 -14.292 -12.032
   77    HE2  PHE   8           HE2      PHE   8  -5.358 -13.213 -12.787
   78    HZ   PHE   8           HZ       PHE   8  -7.020 -14.878 -12.061
   79    H    GLY   9           HN       GLY   9 -11.002  -8.645 -12.285
   80    HA2  GLY   9           HA2      GLY   9 -12.621  -9.493 -10.880
   81    HA3  GLY   9           HA1      GLY   9 -11.373 -10.411 -10.049
   82    H    ARG  10           HN       ARG  10 -11.018  -9.841  -8.031
   83    HA   ARG  10           HA       ARG  10 -11.772  -7.119  -7.207
   84    HB2  ARG  10           HB2      ARG  10 -11.646  -9.550  -5.421
   85    HB3  ARG  10           HB1      ARG  10 -12.337  -7.979  -5.043
   86    HG2  ARG  10           HG2      ARG  10 -13.411 -10.040  -6.954
   87    HG3  ARG  10           HG1      ARG  10 -14.128  -9.492  -5.439
   88    HD2  ARG  10           HD2      ARG  10 -13.737  -7.832  -7.927
   89    HD3  ARG  10           HD1      ARG  10 -15.261  -8.512  -7.363
   90    HE   ARG  10           HE       ARG  10 -14.837  -7.063  -5.310
   91   HH11  ARG  10          HH11      ARG  10 -13.659  -6.228  -8.499
   92   HH12  ARG  10          HH12      ARG  10 -13.823  -4.517  -8.262
   93   HH21  ARG  10          HH21      ARG  10 -15.042  -4.808  -4.970
   94   HH22  ARG  10          HH22      ARG  10 -14.656  -3.710  -6.263
   95    H    CYS  11           HN       CYS  11 -10.373  -5.942  -5.927
   96    HA   CYS  11           HA       CYS  11  -7.701  -7.064  -5.477
   97    HB2  CYS  11           HB2      CYS  11  -8.726  -4.224  -5.220
   98    HB3  CYS  11           HB1      CYS  11  -7.073  -4.725  -4.895
   99    H    PHE  12           HN       PHE  12  -6.711  -6.513  -3.313
  100    HA   PHE  12           HA       PHE  12  -8.615  -6.971  -1.163
  101    HB2  PHE  12           HB2      PHE  12  -5.611  -6.589  -1.127
  102    HB3  PHE  12           HB1      PHE  12  -6.586  -6.954   0.292
  103    HD1  PHE  12           HD1      PHE  12  -4.662  -8.315  -2.330
  104    HD2  PHE  12           HD2      PHE  12  -8.038  -9.111   0.142
  105    HE1  PHE  12           HE1      PHE  12  -4.432 -10.718  -2.796
  106    HE2  PHE  12           HE2      PHE  12  -7.813 -11.517  -0.323
  107    HZ   PHE  12           HZ       PHE  12  -6.009 -12.323  -1.793
  108    H    ARG  13           HN       ARG  13  -8.908  -5.519   0.611
  109    HA   ARG  13           HA       ARG  13  -9.223  -2.835  -0.165
  110    HB2  ARG  13           HB2      ARG  13 -10.584  -3.944   1.570
  111    HB3  ARG  13           HB1      ARG  13  -9.187  -3.973   2.636
  112    HG2  ARG  13           HG2      ARG  13  -9.148  -1.538   2.674
  113    HG3  ARG  13           HG1      ARG  13 -10.517  -1.491   1.563
  114    HD2  ARG  13           HD2      ARG  13 -11.890  -2.663   3.225
  115    HD3  ARG  13           HD1      ARG  13 -10.523  -2.678   4.337
  116    HE   ARG  13           HE       ARG  13 -10.909  -0.032   3.656
  117   HH11  ARG  13          HH11      ARG  13 -12.795  -2.585   5.151
  118   HH12  ARG  13          HH12      ARG  13 -13.696  -1.493   6.165
  119   HH21  ARG  13          HH21      ARG  13 -12.123   1.401   4.970
  120   HH22  ARG  13          HH22      ARG  13 -13.337   0.768   6.043
  121    H    ARG  14           HN       ARG  14  -6.500  -4.495   1.031
  122    HA   ARG  14           HA       ARG  14  -5.231  -2.116   2.104
  123    HB2  ARG  14           HB2      ARG  14  -4.175  -4.933   1.809
  124    HB3  ARG  14           HB1      ARG  14  -3.307  -3.610   2.569
  125    HG2  ARG  14           HG2      ARG  14  -4.171  -4.713   4.386
  126    HG3  ARG  14           HG1      ARG  14  -5.395  -3.473   4.114
  127    HD2  ARG  14           HD2      ARG  14  -6.785  -5.076   2.928
  128    HD3  ARG  14           HD1      ARG  14  -5.546  -6.316   3.114
  129    HE   ARG  14           HE       ARG  14  -6.745  -5.102   5.508
  130   HH11  ARG  14          HH11      ARG  14  -6.254  -7.897   3.457
  131   HH12  ARG  14          HH12      ARG  14  -6.889  -9.025   4.610
  132   HH21  ARG  14          HH21      ARG  14  -7.566  -6.561   7.031
  133   HH22  ARG  14          HH22      ARG  14  -7.648  -8.261   6.655
  134    H    GLU  15           HN       GLU  15  -5.659  -3.443  -0.924
  135    HA   GLU  15           HA       GLU  15  -3.066  -2.580  -1.943
  136    HB2  GLU  15           HB2      GLU  15  -5.442  -3.822  -3.348
  137    HB3  GLU  15           HB1      GLU  15  -3.925  -3.404  -4.131
  138    HG2  GLU  15           HG2      GLU  15  -2.748  -5.009  -2.715
  139    HG3  GLU  15           HG1      GLU  15  -4.266  -5.416  -1.918
  140    H    SER  16           HN       SER  16  -2.801  -0.499  -2.377
  141    HA   SER  16           HA       SER  16  -4.963   1.324  -2.540
  142    HB2  SER  16           HB2      SER  16  -2.078   1.724  -3.373
  143    HB3  SER  16           HB1      SER  16  -3.251   2.997  -3.027
  144    HG   SER  16           HG       SER  16  -3.398   2.034  -0.868
  145    H    TYR  17           HN       TYR  17  -6.256   1.682  -4.206
  146    HA   TYR  17           HA       TYR  17  -5.702   0.583  -6.801
  147    HB2  TYR  17           HB2      TYR  17  -7.957   0.522  -5.852
  148    HB3  TYR  17           HB1      TYR  17  -7.990   2.276  -5.761
  149    HD1  TYR  17           HD1      TYR  17  -8.064  -0.605  -8.068
  150    HD2  TYR  17           HD2      TYR  17  -8.563   3.597  -7.646
  151    HE1  TYR  17           HE1      TYR  17  -9.108  -0.510 -10.291
  152    HE2  TYR  17           HE2      TYR  17  -9.607   3.706  -9.870
  153    HH   TYR  17           HH       TYR  17  -9.641   2.418 -11.951
  154    H    SER  18           HN       SER  18  -4.227   1.603  -8.004
  155    HA   SER  18           HA       SER  18  -3.996   4.481  -8.000
  156    HB2  SER  18           HB2      SER  18  -2.536   2.382  -9.612
  157    HB3  SER  18           HB1      SER  18  -2.144   4.101  -9.590
  158    HG   SER  18           HG       SER  18  -2.227   3.405  -7.080
  159    H    GLY  19           HN       GLY  19  -4.878   1.962 -10.344
  160    HA2  GLY  19           HA2      GLY  19  -6.710   3.652 -11.709
  161    HA3  GLY  19           HA1      GLY  19  -5.190   3.546 -12.587
  162    H    SER  20           HN       SER  20  -5.608   2.270 -14.290
  163    HA   SER  20           HA       SER  20  -6.411  -0.464 -13.804
  164    HB2  SER  20           HB2      SER  20  -8.282  -0.320 -15.492
  165    HB3  SER  20           HB1      SER  20  -8.599   0.499 -13.963
  166    HG   SER  20           HG       SER  20  -7.438   1.956 -16.053
  167    H    CYS  21           HN       CYS  21  -5.501  -1.823 -15.223
  168    HA   CYS  21           HA       CYS  21  -4.085  -0.662 -17.514
  169    HB2  CYS  21           HB2      CYS  21  -3.807  -3.388 -16.272
  170    HB3  CYS  21           HB1      CYS  21  -2.819  -2.739 -17.578
  171    H    ASN  22           HN       ASN  22  -4.269  -1.673 -19.607
  172    HA   ASN  22           HA       ASN  22  -6.494  -3.589 -19.837
  173    HB2  ASN  22           HB2      ASN  22  -7.190  -1.344 -20.681
  174    HB3  ASN  22           HB1      ASN  22  -5.890  -1.428 -21.868
  175   HD21  ASN  22          HD21      ASN  22  -9.007  -2.604 -20.945
  176   HD22  ASN  22          HD22      ASN  22  -9.347  -3.477 -22.397
  177    H    ILE  23           HN       ILE  23  -5.518  -5.444 -20.258
  178    HA   ILE  23           HA       ILE  23  -3.192  -5.426 -22.044
  179    HB   ILE  23           HB       ILE  23  -4.117  -7.627 -20.183
  180   HG12  ILE  23          HG12      ILE  23  -1.793  -5.706 -19.937
  181   HG13  ILE  23          HG11      ILE  23  -3.284  -5.602 -19.011
  182   HG21  ILE  23          HG21      ILE  23  -1.609  -7.355 -21.843
  183   HG22  ILE  23          HG22      ILE  23  -2.917  -8.508 -22.105
  184   HG23  ILE  23          HG23      ILE  23  -1.915  -8.625 -20.660
  185   HD11  ILE  23          HD11      ILE  23  -1.283  -7.850 -18.904
  186   HD12  ILE  23          HD12      ILE  23  -2.784  -7.764 -17.985
  187   HD13  ILE  23          HD13      ILE  23  -1.508  -6.585 -17.695
  188    H    ASN  24           HN       ASN  24  -4.096  -5.411 -24.022
  189    HA   ASN  24           HA       ASN  24  -4.900  -6.274 -25.954
  190    HB2  ASN  24           HB2      ASN  24  -3.409  -8.192 -24.950
  191    HB3  ASN  24           HB1      ASN  24  -4.951  -9.015 -24.749
  192   HD21  ASN  24          HD21      ASN  24  -2.572  -9.465 -26.495
  193   HD22  ASN  24          HD22      ASN  24  -3.213  -9.593 -28.103
  194    H    GLY  25           HN       GLY  25  -6.843  -5.335 -24.080
  195    HA2  GLY  25           HA2      GLY  25  -9.139  -5.179 -24.864
  196    HA3  GLY  25           HA1      GLY  25  -9.112  -6.917 -25.107
  197    H    ARG  26           HN       ARG  26  -7.622  -7.023 -22.383
  198    HA   ARG  26           HA       ARG  26 -10.106  -7.062 -20.823
  199    HB2  ARG  26           HB2      ARG  26  -7.519  -8.572 -20.529
  200    HB3  ARG  26           HB1      ARG  26  -8.730  -8.523 -19.254
  201    HG2  ARG  26           HG2      ARG  26 -10.366  -9.515 -20.782
  202    HG3  ARG  26           HG1      ARG  26  -9.129  -9.587 -22.041
  203    HD2  ARG  26           HD2      ARG  26  -7.796 -11.082 -20.720
  204    HD3  ARG  26           HD1      ARG  26  -8.893 -10.918 -19.351
  205    HE   ARG  26           HE       ARG  26 -10.494 -11.860 -21.323
  206   HH11  ARG  26          HH11      ARG  26  -7.425 -12.913 -20.019
  207   HH12  ARG  26          HH12      ARG  26  -7.726 -14.598 -20.293
  208   HH21  ARG  26          HH21      ARG  26 -10.924 -14.057 -21.675
  209   HH22  ARG  26          HH22      ARG  26  -9.746 -15.264 -21.223
  210    H    ILE  27           HN       ILE  27 -10.309  -5.940 -18.959
  211    HA   ILE  27           HA       ILE  27  -8.137  -4.037 -18.439
  212    HB   ILE  27           HB       ILE  27 -10.305  -3.043 -19.055
  213   HG12  ILE  27          HG12      ILE  27  -9.451  -2.534 -16.202
  214   HG13  ILE  27          HG11      ILE  27  -8.737  -1.819 -17.643
  215   HG21  ILE  27          HG21      ILE  27 -11.817  -4.706 -18.157
  216   HG22  ILE  27          HG22      ILE  27 -12.196  -3.119 -17.491
  217   HG23  ILE  27          HG23      ILE  27 -11.326  -4.300 -16.513
  218   HD11  ILE  27          HD11      ILE  27 -11.567  -1.405 -16.704
  219   HD12  ILE  27          HD12      ILE  27 -10.817  -0.662 -18.119
  220   HD13  ILE  27          HD13      ILE  27 -10.231  -0.270 -16.502
  221    H    PHE  28           HN       PHE  28  -6.988  -4.195 -16.664
  222    HA   PHE  28           HA       PHE  28  -8.009  -5.813 -14.428
  223    HB2  PHE  28           HB2      PHE  28  -5.121  -5.335 -15.212
  224    HB3  PHE  28           HB1      PHE  28  -5.693  -6.389 -13.926
  225    HD1  PHE  28           HD1      PHE  28  -6.526  -8.573 -14.402
  226    HD2  PHE  28           HD2      PHE  28  -5.376  -5.968 -17.560
  227    HE1  PHE  28           HE1      PHE  28  -6.563 -10.466 -15.972
  228    HE2  PHE  28           HE2      PHE  28  -5.415  -7.853 -19.138
  229    HZ   PHE  28           HZ       PHE  28  -6.008 -10.105 -18.347
  230    H    SER  29           HN       SER  29  -8.249  -4.730 -12.537
  231    HA   SER  29           HA       SER  29  -7.763  -1.938 -12.423
  232    HB2  SER  29           HB2      SER  29  -8.370  -2.297  -9.945
  233    HB3  SER  29           HB1      SER  29  -9.595  -2.698 -11.148
  234    HG   SER  29           HG       SER  29  -8.034  -4.390  -9.544
  235    H    LEU  30           HN       LEU  30  -6.045  -0.825 -11.727
  236    HA   LEU  30           HA       LEU  30  -3.652  -2.340 -11.101
  237    HB2  LEU  30           HB2      LEU  30  -3.866  -0.285 -12.689
  238    HB3  LEU  30           HB1      LEU  30  -3.822   0.658 -11.215
  239    HG   LEU  30           HG       LEU  30  -1.642  -1.270 -12.024
  240   HD11  LEU  30          HD11      LEU  30  -1.783   1.720 -12.387
  241   HD12  LEU  30          HD12      LEU  30  -1.831   0.512 -13.671
  242   HD13  LEU  30          HD13      LEU  30  -0.373   0.708 -12.696
  243   HD21  LEU  30          HD21      LEU  30  -1.758  -0.777  -9.625
  244   HD22  LEU  30          HD22      LEU  30  -1.685   0.951  -9.982
  245   HD23  LEU  30          HD23      LEU  30  -0.313  -0.091 -10.366
  246    H    CYS  31           HN       CYS  31  -3.710  -3.059  -9.076
  247    HA   CYS  31           HA       CYS  31  -4.217  -1.111  -6.929
  248    HB2  CYS  31           HB2      CYS  31  -4.656  -4.111  -6.923
  249    HB3  CYS  31           HB1      CYS  31  -4.931  -3.040  -5.550
  250    H    CYS  32           HN       CYS  32  -2.767  -1.055  -5.205
  251    HA   CYS  32           HA       CYS  32  -0.183  -2.311  -5.817
  252    HB2  CYS  32           HB2      CYS  32  -0.434   0.173  -6.281
  253    HB3  CYS  32           HB1      CYS  32  -0.597   0.394  -4.542
  254    H    ARG  33           HN       ARG  33  -0.010  -3.901  -4.344
  255    HA   ARG  33           HA       ARG  33  -0.759  -3.413  -1.581
  256    HB2  ARG  33           HB2      ARG  33   0.286  -5.871  -1.433
  257    HB3  ARG  33           HB1      ARG  33  -1.371  -5.571  -1.921
  258    HG2  ARG  33           HG2      ARG  33  -0.485  -7.170  -3.410
  259    HG3  ARG  33           HG1      ARG  33  -0.598  -5.656  -4.299
  260    HD2  ARG  33           HD2      ARG  33   1.488  -6.855  -4.765
  261    HD3  ARG  33           HD1      ARG  33   1.778  -5.284  -4.020
  262    HE   ARG  33           HE       ARG  33   2.037  -6.611  -1.878
  263   HH11  ARG  33          HH11      ARG  33   2.660  -8.048  -5.001
  264   HH12  ARG  33          HH12      ARG  33   3.950  -9.061  -4.429
  265   HH21  ARG  33          HH21      ARG  33   3.721  -7.954  -1.099
  266   HH22  ARG  33          HH22      ARG  33   4.526  -9.041  -2.195
  Start of MODEL    6
    1    H1   ARG   1           HT1      ARG   1   1.850   0.252   0.194
    2    H2   ARG   1           HT2      ARG   1   1.151  -1.244  -0.213
    3    H3   ARG   1           HT3      ARG   1   0.249   0.184  -0.353
    4    HA   ARG   1           HA       ARG   1   1.081  -0.757  -2.466
    5    HB2  ARG   1           HB2      ARG   1   1.747   1.418  -3.391
    6    HB3  ARG   1           HB1      ARG   1   0.360   1.561  -2.327
    7    HG2  ARG   1           HG2      ARG   1   1.668   2.540  -0.609
    8    HG3  ARG   1           HG1      ARG   1   3.173   2.170  -1.458
    9    HD2  ARG   1           HD2      ARG   1   2.323   3.633  -3.332
   10    HD3  ARG   1           HD1      ARG   1   1.039   4.141  -2.237
   11    HE   ARG   1           HE       ARG   1   2.689   5.157  -0.835
   12   HH11  ARG   1          HH11      ARG   1   3.911   3.955  -3.890
   13   HH12  ARG   1          HH12      ARG   1   5.299   5.006  -3.900
   14   HH21  ARG   1          HH21      ARG   1   4.509   6.556  -0.847
   15   HH22  ARG   1          HH22      ARG   1   5.640   6.477  -2.162
   16    H    ARG   2           HN       ARG   2   2.619  -2.283  -2.638
   17    HA   ARG   2           HA       ARG   2   5.332  -1.229  -2.967
   18    HB2  ARG   2           HB2      ARG   2   6.295  -3.264  -1.931
   19    HB3  ARG   2           HB1      ARG   2   5.403  -2.270  -0.786
   20    HG2  ARG   2           HG2      ARG   2   3.536  -3.772  -0.847
   21    HG3  ARG   2           HG1      ARG   2   4.285  -4.718  -2.134
   22    HD2  ARG   2           HD2      ARG   2   6.077  -5.377  -0.647
   23    HD3  ARG   2           HD1      ARG   2   5.424  -4.356   0.633
   24    HE   ARG   2           HE       ARG   2   3.433  -5.852   0.569
   25   HH11  ARG   2          HH11      ARG   2   6.532  -6.997  -0.594
   26   HH12  ARG   2          HH12      ARG   2   6.199  -8.663  -0.229
   27   HH21  ARG   2          HH21      ARG   2   2.987  -8.043   1.051
   28   HH22  ARG   2          HH22      ARG   2   4.189  -9.253   0.711
   29    H    THR   3           HN       THR   3   2.776  -3.358  -3.834
   30    HA   THR   3           HA       THR   3   4.257  -4.068  -6.274
   31    HB   THR   3           HB       THR   3   2.443  -5.977  -4.775
   32    HG1  THR   3           HG1      THR   3   5.080  -5.386  -4.452
   33   HG21  THR   3          HG21      THR   3   3.273  -7.644  -6.355
   34   HG22  THR   3          HG22      THR   3   4.269  -6.423  -7.145
   35   HG23  THR   3          HG23      THR   3   2.512  -6.309  -7.217
   36    H    CYS   4           HN       CYS   4   3.187  -2.666  -7.592
   37    HA   CYS   4           HA       CYS   4   0.262  -2.589  -7.435
   38    HB2  CYS   4           HB2      CYS   4   1.881  -0.849  -9.258
   39    HB3  CYS   4           HB1      CYS   4   0.349  -0.504  -8.465
   40    H    ARG   5           HN       ARG   5  -1.005  -3.401  -9.008
   41    HA   ARG   5           HA       ARG   5  -0.257  -3.441 -11.733
   42    HB2  ARG   5           HB2      ARG   5  -0.215  -5.814 -12.183
   43    HB3  ARG   5           HB1      ARG   5   1.035  -5.433 -11.009
   44    HG2  ARG   5           HG2      ARG   5  -0.005  -6.569  -9.321
   45    HG3  ARG   5           HG1      ARG   5  -1.618  -6.328 -10.003
   46    HD2  ARG   5           HD2      ARG   5   0.503  -8.137 -11.161
   47    HD3  ARG   5           HD1      ARG   5  -0.847  -8.675 -10.160
   48    HE   ARG   5           HE       ARG   5  -2.258  -7.594 -12.008
   49   HH11  ARG   5          HH11      ARG   5   0.844  -9.118 -12.577
   50   HH12  ARG   5          HH12      ARG   5   0.438  -9.619 -14.186
   51   HH21  ARG   5          HH21      ARG   5  -2.782  -8.229 -14.129
   52   HH22  ARG   5          HH22      ARG   5  -1.623  -9.115 -15.081
   53    H    CYS   6           HN       CYS   6  -2.003  -4.042 -13.106
   54    HA   CYS   6           HA       CYS   6  -4.594  -3.812 -11.941
   55    HB2  CYS   6           HB2      CYS   6  -4.285  -4.716 -14.733
   56    HB3  CYS   6           HB1      CYS   6  -5.161  -3.325 -14.087
   57    H    ARG   7           HN       ARG   7  -5.751  -5.425 -11.117
   58    HA   ARG   7           HA       ARG   7  -5.246  -8.190 -12.032
   59    HB2  ARG   7           HB2      ARG   7  -5.978  -8.877  -9.713
   60    HB3  ARG   7           HB1      ARG   7  -4.439  -8.029  -9.779
   61    HG2  ARG   7           HG2      ARG   7  -5.471  -5.991  -9.027
   62    HG3  ARG   7           HG1      ARG   7  -7.069  -6.734  -9.099
   63    HD2  ARG   7           HD2      ARG   7  -4.845  -7.754  -7.341
   64    HD3  ARG   7           HD1      ARG   7  -6.039  -6.573  -6.804
   65    HE   ARG   7           HE       ARG   7  -7.695  -8.416  -7.531
   66   HH11  ARG   7          HH11      ARG   7  -4.608  -8.882  -5.963
   67   HH12  ARG   7          HH12      ARG   7  -5.041 -10.415  -5.271
   68   HH21  ARG   7          HH21      ARG   7  -8.297 -10.410  -6.615
   69   HH22  ARG   7          HH22      ARG   7  -7.148 -11.293  -5.650
   70    H    PHE   8           HN       PHE   8  -7.101  -9.601 -12.072
   71    HA   PHE   8           HA       PHE   8  -9.485  -8.137 -12.807
   72    HB2  PHE   8           HB2      PHE   8 -10.351 -10.295 -13.606
   73    HB3  PHE   8           HB1      PHE   8  -8.766  -9.941 -14.280
   74    HD1  PHE   8           HD1      PHE   8 -10.749 -12.245 -12.358
   75    HD2  PHE   8           HD2      PHE   8  -6.759 -11.138 -13.352
   76    HE1  PHE   8           HE1      PHE   8  -9.950 -14.440 -11.589
   77    HE2  PHE   8           HE2      PHE   8  -5.955 -13.333 -12.585
   78    HZ   PHE   8           HZ       PHE   8  -7.551 -14.985 -11.699
   79    H    GLY   9           HN       GLY   9 -11.293  -7.964 -11.672
   80    HA2  GLY   9           HA2      GLY   9 -12.910  -8.973 -10.150
   81    HA3  GLY   9           HA1      GLY   9 -11.551  -9.613  -9.238
   82    H    ARG  10           HN       ARG  10 -11.310  -8.634  -7.380
   83    HA   ARG  10           HA       ARG  10 -12.059  -5.794  -7.149
   84    HB2  ARG  10           HB2      ARG  10 -12.000  -7.910  -4.985
   85    HB3  ARG  10           HB1      ARG  10 -12.559  -6.252  -4.806
   86    HG2  ARG  10           HG2      ARG  10 -13.840  -8.121  -6.763
   87    HG3  ARG  10           HG1      ARG  10 -14.306  -8.105  -5.062
   88    HD2  ARG  10           HD2      ARG  10 -14.252  -5.599  -6.711
   89    HD3  ARG  10           HD1      ARG  10 -15.656  -6.665  -6.694
   90    HE   ARG  10           HE       ARG  10 -15.023  -6.164  -4.050
   91   HH11  ARG  10          HH11      ARG  10 -15.993  -4.294  -6.847
   92   HH12  ARG  10          HH12      ARG  10 -16.840  -3.092  -5.913
   93   HH21  ARG  10          HH21      ARG  10 -16.144  -4.601  -2.818
   94   HH22  ARG  10          HH22      ARG  10 -16.930  -3.272  -3.616
   95    H    CYS  11           HN       CYS  11 -10.789  -4.552  -5.549
   96    HA   CYS  11           HA       CYS  11  -8.029  -5.515  -5.284
   97    HB2  CYS  11           HB2      CYS  11  -9.143  -2.786  -4.575
   98    HB3  CYS  11           HB1      CYS  11  -7.450  -3.243  -4.628
   99    H    PHE  12           HN       PHE  12  -7.315  -6.261  -3.354
  100    HA   PHE  12           HA       PHE  12  -9.189  -6.593  -1.231
  101    HB2  PHE  12           HB2      PHE  12  -6.227  -7.149  -1.403
  102    HB3  PHE  12           HB1      PHE  12  -7.195  -7.513   0.023
  103    HD1  PHE  12           HD1      PHE  12  -5.666  -9.123  -2.439
  104    HD2  PHE  12           HD2      PHE  12  -9.635  -8.595  -0.998
  105    HE1  PHE  12           HE1      PHE  12  -6.311 -11.276  -3.431
  106    HE2  PHE  12           HE2      PHE  12 -10.288 -10.747  -1.995
  107    HZ   PHE  12           HZ       PHE  12  -8.622 -12.090  -3.213
  108    H    ARG  13           HN       ARG  13  -8.606  -6.020   1.056
  109    HA   ARG  13           HA       ARG  13  -8.789  -3.251   1.305
  110    HB2  ARG  13           HB2      ARG  13  -8.157  -5.372   3.352
  111    HB3  ARG  13           HB1      ARG  13  -8.465  -3.689   3.764
  112    HG2  ARG  13           HG2      ARG  13 -10.394  -5.492   2.311
  113    HG3  ARG  13           HG1      ARG  13 -10.446  -5.122   4.037
  114    HD2  ARG  13           HD2      ARG  13 -10.837  -2.797   3.588
  115    HD3  ARG  13           HD1      ARG  13 -10.581  -3.042   1.862
  116    HE   ARG  13           HE       ARG  13 -12.686  -4.088   1.714
  117   HH11  ARG  13          HH11      ARG  13 -11.990  -2.935   4.957
  118   HH12  ARG  13          HH12      ARG  13 -13.656  -2.989   5.460
  119   HH21  ARG  13          HH21      ARG  13 -14.866  -4.108   2.368
  120   HH22  ARG  13          HH22      ARG  13 -15.293  -3.606   3.976
  121    H    ARG  14           HN       ARG  14  -5.945  -5.261   1.244
  122    HA   ARG  14           HA       ARG  14  -4.305  -3.067   2.256
  123    HB2  ARG  14           HB2      ARG  14  -3.415  -5.813   1.358
  124    HB3  ARG  14           HB1      ARG  14  -2.434  -4.620   2.195
  125    HG2  ARG  14           HG2      ARG  14  -4.272  -4.817   4.036
  126    HG3  ARG  14           HG1      ARG  14  -4.612  -6.359   3.248
  127    HD2  ARG  14           HD2      ARG  14  -3.062  -6.902   4.913
  128    HD3  ARG  14           HD1      ARG  14  -2.094  -6.796   3.443
  129    HE   ARG  14           HE       ARG  14  -2.287  -4.451   5.195
  130   HH11  ARG  14          HH11      ARG  14  -0.354  -7.067   3.862
  131   HH12  ARG  14          HH12      ARG  14   1.158  -6.382   4.384
  132   HH21  ARG  14          HH21      ARG  14  -0.306  -3.546   5.870
  133   HH22  ARG  14          HH22      ARG  14   1.189  -4.382   5.535
  134    H    GLU  15           HN       GLU  15  -5.648  -3.830  -0.615
  135    HA   GLU  15           HA       GLU  15  -3.332  -2.943  -2.200
  136    HB2  GLU  15           HB2      GLU  15  -5.894  -4.242  -3.147
  137    HB3  GLU  15           HB1      GLU  15  -4.513  -3.825  -4.150
  138    HG2  GLU  15           HG2      GLU  15  -3.142  -5.439  -2.930
  139    HG3  GLU  15           HG1      GLU  15  -4.534  -5.861  -1.933
  140    H    SER  16           HN       SER  16  -3.324  -0.872  -2.724
  141    HA   SER  16           HA       SER  16  -5.662   0.765  -2.442
  142    HB2  SER  16           HB2      SER  16  -4.074   2.554  -3.358
  143    HB3  SER  16           HB1      SER  16  -3.620   1.802  -1.828
  144    HG   SER  16           HG       SER  16  -2.136   0.530  -2.924
  145    H    TYR  17           HN       TYR  17  -6.993   1.549  -4.007
  146    HA   TYR  17           HA       TYR  17  -6.786   0.324  -6.634
  147    HB2  TYR  17           HB2      TYR  17  -8.949   0.401  -5.426
  148    HB3  TYR  17           HB1      TYR  17  -8.898   2.157  -5.465
  149    HD1  TYR  17           HD1      TYR  17  -9.419   3.373  -7.493
  150    HD2  TYR  17           HD2      TYR  17  -9.429  -0.881  -7.445
  151    HE1  TYR  17           HE1      TYR  17 -10.632   3.357  -9.632
  152    HE2  TYR  17           HE2      TYR  17 -10.632  -0.908  -9.586
  153    HH   TYR  17           HH       TYR  17 -10.965   1.833 -11.551
  154    H    SER  18           HN       SER  18  -5.353   1.295  -7.930
  155    HA   SER  18           HA       SER  18  -5.064   4.173  -7.984
  156    HB2  SER  18           HB2      SER  18  -3.802   2.058  -9.745
  157    HB3  SER  18           HB1      SER  18  -3.311   3.753  -9.631
  158    HG   SER  18           HG       SER  18  -3.245   3.005  -7.189
  159    H    GLY  19           HN       GLY  19  -6.261   1.624 -10.128
  160    HA2  GLY  19           HA2      GLY  19  -8.245   3.189 -11.328
  161    HA3  GLY  19           HA1      GLY  19  -6.817   3.262 -12.350
  162    H    SER  20           HN       SER  20  -7.100   1.944 -14.027
  163    HA   SER  20           HA       SER  20  -7.724  -0.849 -13.557
  164    HB2  SER  20           HB2      SER  20  -9.562  -0.730 -15.346
  165    HB3  SER  20           HB1      SER  20  -9.965  -0.105 -13.747
  166    HG   SER  20           HG       SER  20  -8.874   1.848 -15.239
  167    H    CYS  21           HN       CYS  21  -7.475  -2.155 -15.522
  168    HA   CYS  21           HA       CYS  21  -5.981  -0.854 -17.675
  169    HB2  CYS  21           HB2      CYS  21  -5.056  -3.337 -16.258
  170    HB3  CYS  21           HB1      CYS  21  -4.310  -2.627 -17.682
  171    H    ASN  22           HN       ASN  22  -7.097  -1.344 -19.508
  172    HA   ASN  22           HA       ASN  22  -8.490  -3.894 -19.710
  173    HB2  ASN  22           HB2      ASN  22  -9.596  -1.893 -20.624
  174    HB3  ASN  22           HB1      ASN  22  -8.240  -1.632 -21.714
  175   HD21  ASN  22          HD21      ASN  22 -11.038  -3.569 -21.033
  176   HD22  ASN  22          HD22      ASN  22 -11.108  -4.367 -22.569
  177    H    ILE  23           HN       ILE  23  -7.169  -5.579 -20.056
  178    HA   ILE  23           HA       ILE  23  -5.067  -5.272 -22.100
  179    HB   ILE  23           HB       ILE  23  -4.800  -6.788 -19.495
  180   HG12  ILE  23          HG12      ILE  23  -3.416  -4.270 -20.443
  181   HG13  ILE  23          HG11      ILE  23  -4.680  -4.338 -19.221
  182   HG21  ILE  23          HG21      ILE  23  -2.809  -6.366 -21.720
  183   HG22  ILE  23          HG22      ILE  23  -3.625  -7.879 -21.332
  184   HG23  ILE  23          HG23      ILE  23  -2.484  -7.174 -20.187
  185   HD11  ILE  23          HD11      ILE  23  -2.539  -4.124 -18.159
  186   HD12  ILE  23          HD12      ILE  23  -1.924  -5.527 -19.031
  187   HD13  ILE  23          HD13      ILE  23  -3.193  -5.728 -17.823
  188    H    ASN  24           HN       ASN  24  -5.666  -6.487 -23.740
  189    HA   ASN  24           HA       ASN  24  -6.203  -8.279 -25.005
  190    HB2  ASN  24           HB2      ASN  24  -5.179  -9.683 -22.548
  191    HB3  ASN  24           HB1      ASN  24  -5.689 -10.560 -23.988
  192   HD21  ASN  24          HD21      ASN  24  -4.449 -10.471 -25.834
  193   HD22  ASN  24          HD22      ASN  24  -2.843  -9.824 -25.849
  194    H    GLY  25           HN       GLY  25  -8.392  -7.142 -24.168
  195    HA2  GLY  25           HA2      GLY  25 -10.647  -7.580 -24.225
  196    HA3  GLY  25           HA1      GLY  25 -10.261  -9.288 -24.331
  197    H    ARG  26           HN       ARG  26  -8.840  -7.726 -21.675
  198    HA   ARG  26           HA       ARG  26 -11.056  -8.493 -19.918
  199    HB2  ARG  26           HB2      ARG  26  -8.185  -9.364 -19.725
  200    HB3  ARG  26           HB1      ARG  26  -9.220  -9.314 -18.305
  201    HG2  ARG  26           HG2      ARG  26 -10.679 -10.947 -19.202
  202    HG3  ARG  26           HG1      ARG  26  -9.923 -10.847 -20.792
  203    HD2  ARG  26           HD2      ARG  26  -8.445 -11.727 -18.323
  204    HD3  ARG  26           HD1      ARG  26  -9.295 -12.850 -19.383
  205    HE   ARG  26           HE       ARG  26  -7.553 -11.242 -20.906
  206   HH11  ARG  26          HH11      ARG  26  -7.458 -13.843 -18.557
  207   HH12  ARG  26          HH12      ARG  26  -6.005 -14.546 -19.211
  208   HH21  ARG  26          HH21      ARG  26  -5.643 -12.172 -21.770
  209   HH22  ARG  26          HH22      ARG  26  -4.976 -13.589 -21.031
  210    H    ILE  27           HN       ILE  27 -11.554  -6.985 -18.477
  211    HA   ILE  27           HA       ILE  27  -9.740  -4.710 -18.222
  212    HB   ILE  27           HB       ILE  27 -11.976  -4.083 -18.833
  213   HG12  ILE  27          HG12      ILE  27 -11.509  -3.426 -15.921
  214   HG13  ILE  27          HG11      ILE  27 -10.739  -2.615 -17.278
  215   HG21  ILE  27          HG21      ILE  27 -13.183  -6.012 -18.027
  216   HG22  ILE  27          HG22      ILE  27 -13.916  -4.532 -17.408
  217   HG23  ILE  27          HG23      ILE  27 -12.902  -5.521 -16.356
  218   HD11  ILE  27          HD11      ILE  27 -12.540  -1.269 -16.458
  219   HD12  ILE  27          HD12      ILE  27 -13.667  -2.615 -16.606
  220   HD13  ILE  27          HD13      ILE  27 -12.970  -1.890 -18.053
  221    H    PHE  28           HN       PHE  28  -8.346  -4.809 -16.663
  222    HA   PHE  28           HA       PHE  28  -9.014  -6.207 -14.174
  223    HB2  PHE  28           HB2      PHE  28  -6.328  -5.151 -15.076
  224    HB3  PHE  28           HB1      PHE  28  -6.640  -6.262 -13.750
  225    HD1  PHE  28           HD1      PHE  28  -7.515  -8.566 -14.299
  226    HD2  PHE  28           HD2      PHE  28  -5.932  -5.930 -17.237
  227    HE1  PHE  28           HE1      PHE  28  -7.153 -10.473 -15.812
  228    HE2  PHE  28           HE2      PHE  28  -5.565  -7.829 -18.753
  229    HZ   PHE  28           HZ       PHE  28  -6.179 -10.106 -18.042
  230    H    SER  29           HN       SER  29  -8.697  -5.169 -12.144
  231    HA   SER  29           HA       SER  29  -8.767  -2.249 -12.249
  232    HB2  SER  29           HB2      SER  29  -9.244  -2.523  -9.751
  233    HB3  SER  29           HB1      SER  29 -10.477  -3.143 -10.847
  234    HG   SER  29           HG       SER  29  -8.694  -4.518  -9.186
  235    H    LEU  30           HN       LEU  30  -7.079  -1.010 -11.620
  236    HA   LEU  30           HA       LEU  30  -4.567  -2.372 -11.186
  237    HB2  LEU  30           HB2      LEU  30  -5.088  -0.201 -12.588
  238    HB3  LEU  30           HB1      LEU  30  -4.869   0.600 -11.048
  239    HG   LEU  30           HG       LEU  30  -2.787  -1.137 -12.382
  240   HD11  LEU  30          HD11      LEU  30  -1.637   0.980 -12.859
  241   HD12  LEU  30          HD12      LEU  30  -3.035   1.864 -12.245
  242   HD13  LEU  30          HD13      LEU  30  -3.190   0.862 -13.687
  243   HD21  LEU  30          HD21      LEU  30  -1.255  -0.193 -10.737
  244   HD22  LEU  30          HD22      LEU  30  -2.573  -1.048  -9.938
  245   HD23  LEU  30          HD23      LEU  30  -2.577   0.715 -10.005
  246    H    CYS  31           HN       CYS  31  -4.331  -3.178  -9.201
  247    HA   CYS  31           HA       CYS  31  -4.879  -1.406  -6.909
  248    HB2  CYS  31           HB2      CYS  31  -4.713  -4.380  -6.595
  249    HB3  CYS  31           HB1      CYS  31  -5.646  -3.213  -5.668
  250    H    CYS  32           HN       CYS  32  -3.198  -1.021  -5.529
  251    HA   CYS  32           HA       CYS  32  -0.728  -2.533  -6.022
  252    HB2  CYS  32           HB2      CYS  32  -0.596  -0.153  -6.730
  253    HB3  CYS  32           HB1      CYS  32  -0.939   0.329  -5.068
  254    H    ARG  33           HN       ARG  33  -0.594  -3.964  -4.467
  255    HA   ARG  33           HA       ARG  33  -1.437  -3.398  -1.760
  256    HB2  ARG  33           HB2      ARG  33  -0.558  -5.763  -1.378
  257    HB3  ARG  33           HB1      ARG  33  -1.922  -5.598  -2.473
  258    HG2  ARG  33           HG2      ARG  33  -0.066  -5.510  -4.309
  259    HG3  ARG  33           HG1      ARG  33   0.914  -6.292  -3.069
  260    HD2  ARG  33           HD2      ARG  33  -1.755  -7.291  -4.061
  261    HD3  ARG  33           HD1      ARG  33  -0.189  -7.899  -4.589
  262    HE   ARG  33           HE       ARG  33   0.119  -8.468  -2.126
  263   HH11  ARG  33          HH11      ARG  33  -3.020  -8.384  -3.684
  264   HH12  ARG  33          HH12      ARG  33  -3.677  -9.654  -2.694
  265   HH21  ARG  33          HH21      ARG  33  -0.731 -10.118  -0.819
  266   HH22  ARG  33          HH22      ARG  33  -2.370 -10.649  -1.055
  Start of MODEL    7
    1    H1   ARG   1           HT1      ARG   1   2.170  -0.406  -0.627
    2    H2   ARG   1           HT2      ARG   1   1.558  -1.863  -1.259
    3    H3   ARG   1           HT3      ARG   1   0.630  -0.453  -1.328
    4    HA   ARG   1           HA       ARG   1   1.631  -1.054  -3.461
    5    HB2  ARG   1           HB2      ARG   1   1.078   1.334  -2.633
    6    HB3  ARG   1           HB1      ARG   1   2.817   1.523  -2.463
    7    HG2  ARG   1           HG2      ARG   1   3.123   1.061  -4.824
    8    HG3  ARG   1           HG1      ARG   1   1.386   0.810  -5.009
    9    HD2  ARG   1           HD2      ARG   1   1.122   3.171  -4.095
   10    HD3  ARG   1           HD1      ARG   1   2.852   3.352  -4.384
   11    HE   ARG   1           HE       ARG   1   2.143   2.618  -6.782
   12   HH11  ARG   1          HH11      ARG   1   0.372   4.698  -4.592
   13   HH12  ARG   1          HH12      ARG   1  -0.390   5.611  -5.866
   14   HH21  ARG   1          HH21      ARG   1   1.137   3.795  -8.462
   15   HH22  ARG   1          HH22      ARG   1   0.042   5.089  -8.067
   16    H    ARG   2           HN       ARG   2   3.114  -2.821  -3.083
   17    HA   ARG   2           HA       ARG   2   5.917  -1.891  -3.172
   18    HB2  ARG   2           HB2      ARG   2   6.641  -3.826  -2.025
   19    HB3  ARG   2           HB1      ARG   2   5.231  -3.279  -1.129
   20    HG2  ARG   2           HG2      ARG   2   3.873  -4.951  -2.386
   21    HG3  ARG   2           HG1      ARG   2   5.372  -5.562  -3.085
   22    HD2  ARG   2           HD2      ARG   2   4.936  -6.978  -1.276
   23    HD3  ARG   2           HD1      ARG   2   6.171  -5.867  -0.688
   24    HE   ARG   2           HE       ARG   2   4.307  -4.641   0.419
   25   HH11  ARG   2          HH11      ARG   2   3.920  -8.010  -0.459
   26   HH12  ARG   2          HH12      ARG   2   2.751  -8.337   0.790
   27   HH21  ARG   2          HH21      ARG   2   2.739  -5.059   2.046
   28   HH22  ARG   2          HH22      ARG   2   2.074  -6.655   2.195
   29    H    THR   3           HN       THR   3   3.375  -3.822  -4.544
   30    HA   THR   3           HA       THR   3   4.964  -4.170  -6.966
   31    HB   THR   3           HB       THR   3   3.579  -6.512  -5.632
   32    HG1  THR   3           HG1      THR   3   6.071  -5.503  -5.349
   33   HG21  THR   3          HG21      THR   3   5.248  -6.390  -8.150
   34   HG22  THR   3          HG22      THR   3   3.497  -6.596  -8.088
   35   HG23  THR   3          HG23      THR   3   4.556  -7.845  -7.432
   36    H    CYS   4           HN       CYS   4   3.745  -3.495  -8.623
   37    HA   CYS   4           HA       CYS   4   0.862  -3.221  -8.147
   38    HB2  CYS   4           HB2      CYS   4   2.455  -1.959 -10.374
   39    HB3  CYS   4           HB1      CYS   4   0.885  -1.470  -9.754
   40    H    ARG   5           HN       ARG   5  -0.652  -4.197  -9.428
   41    HA   ARG   5           HA       ARG   5  -0.064  -5.057 -12.083
   42    HB2  ARG   5           HB2      ARG   5  -0.391  -7.436 -11.810
   43    HB3  ARG   5           HB1      ARG   5   0.964  -6.916 -10.820
   44    HG2  ARG   5           HG2      ARG   5  -0.129  -7.333  -8.856
   45    HG3  ARG   5           HG1      ARG   5  -1.725  -7.068  -9.565
   46    HD2  ARG   5           HD2      ARG   5   0.064  -9.438 -10.101
   47    HD3  ARG   5           HD1      ARG   5  -1.338  -9.435  -9.030
   48    HE   ARG   5           HE       ARG   5  -2.287  -8.550 -11.441
   49   HH11  ARG   5          HH11      ARG   5  -0.609 -11.433 -10.375
   50   HH12  ARG   5          HH12      ARG   5  -1.383 -12.459 -11.550
   51   HH21  ARG   5          HH21      ARG   5  -3.273  -9.868 -12.983
   52   HH22  ARG   5          HH22      ARG   5  -2.867 -11.557 -13.080
   53    H    CYS   6           HN       CYS   6  -1.907  -5.526 -13.269
   54    HA   CYS   6           HA       CYS   6  -4.441  -4.841 -12.157
   55    HB2  CYS   6           HB2      CYS   6  -4.247  -6.263 -14.743
   56    HB3  CYS   6           HB1      CYS   6  -5.061  -4.750 -14.347
   57    H    ARG   7           HN       ARG   7  -5.922  -6.183 -11.251
   58    HA   ARG   7           HA       ARG   7  -5.769  -9.053 -11.865
   59    HB2  ARG   7           HB2      ARG   7  -6.439  -9.487  -9.471
   60    HB3  ARG   7           HB1      ARG   7  -4.800  -8.890  -9.692
   61    HG2  ARG   7           HG2      ARG   7  -5.452  -6.683  -8.996
   62    HG3  ARG   7           HG1      ARG   7  -7.148  -7.165  -8.931
   63    HD2  ARG   7           HD2      ARG   7  -4.974  -8.390  -7.238
   64    HD3  ARG   7           HD1      ARG   7  -6.016  -7.070  -6.706
   65    HE   ARG   7           HE       ARG   7  -7.693  -9.084  -7.575
   66   HH11  ARG   7          HH11      ARG   7  -5.309  -8.603  -5.054
   67   HH12  ARG   7          HH12      ARG   7  -5.987  -9.807  -4.012
   68   HH21  ARG   7          HH21      ARG   7  -8.624 -10.627  -6.182
   69   HH22  ARG   7          HH22      ARG   7  -7.888 -10.961  -4.651
   70    H    PHE   8           HN       PHE   8  -7.701 -10.104 -12.100
   71    HA   PHE   8           HA       PHE   8  -9.913  -8.517 -12.852
   72    HB2  PHE   8           HB2      PHE   8 -11.099 -10.701 -13.108
   73    HB3  PHE   8           HB1      PHE   8  -9.560 -10.623 -13.956
   74    HD1  PHE   8           HD1      PHE   8  -7.666 -11.942 -13.213
   75    HD2  PHE   8           HD2      PHE   8 -11.418 -12.165 -11.227
   76    HE1  PHE   8           HE1      PHE   8  -6.952 -14.020 -12.107
   77    HE2  PHE   8           HE2      PHE   8 -10.711 -14.242 -10.113
   78    HZ   PHE   8           HZ       PHE   8  -8.473 -15.172 -10.553
   79    H    GLY   9           HN       GLY   9 -12.055  -8.532 -11.977
   80    HA2  GLY   9           HA2      GLY   9 -13.585  -8.385 -10.257
   81    HA3  GLY   9           HA1      GLY   9 -12.537  -9.429  -9.297
   82    H    ARG  10           HN       ARG  10 -12.614  -8.243  -7.408
   83    HA   ARG  10           HA       ARG  10 -11.328  -5.603  -7.585
   84    HB2  ARG  10           HB2      ARG  10 -12.246  -5.155  -5.328
   85    HB3  ARG  10           HB1      ARG  10 -13.486  -5.400  -6.546
   86    HG2  ARG  10           HG2      ARG  10 -13.917  -7.627  -5.724
   87    HG3  ARG  10           HG1      ARG  10 -12.591  -7.487  -4.563
   88    HD2  ARG  10           HD2      ARG  10 -13.727  -5.700  -3.412
   89    HD3  ARG  10           HD1      ARG  10 -14.992  -5.665  -4.636
   90    HE   ARG  10           HE       ARG  10 -15.245  -8.157  -3.757
   91   HH11  ARG  10          HH11      ARG  10 -14.750  -5.214  -1.919
   92   HH12  ARG  10          HH12      ARG  10 -15.733  -5.733  -0.582
   93   HH21  ARG  10          HH21      ARG  10 -16.531  -8.834  -1.986
   94   HH22  ARG  10          HH22      ARG  10 -16.728  -7.782  -0.618
   95    H    CYS  11           HN       CYS  11  -9.852  -5.075  -5.831
   96    HA   CYS  11           HA       CYS  11  -8.168  -7.383  -5.216
   97    HB2  CYS  11           HB2      CYS  11  -6.469  -5.585  -4.668
   98    HB3  CYS  11           HB1      CYS  11  -6.972  -5.667  -6.351
   99    H    PHE  12           HN       PHE  12  -6.812  -6.797  -3.049
  100    HA   PHE  12           HA       PHE  12  -8.793  -6.937  -0.958
  101    HB2  PHE  12           HB2      PHE  12  -5.769  -6.891  -0.803
  102    HB3  PHE  12           HB1      PHE  12  -6.849  -7.217   0.550
  103    HD1  PHE  12           HD1      PHE  12  -4.688  -8.781  -1.505
  104    HD2  PHE  12           HD2      PHE  12  -8.766  -9.076  -0.319
  105    HE1  PHE  12           HE1      PHE  12  -4.683 -11.171  -2.093
  106    HE2  PHE  12           HE2      PHE  12  -8.766 -11.464  -0.906
  107    HZ   PHE  12           HZ       PHE  12  -6.727 -12.515  -1.791
  108    H    ARG  13           HN       ARG  13  -8.850  -5.509   0.896
  109    HA   ARG  13           HA       ARG  13  -8.746  -2.775   0.011
  110    HB2  ARG  13           HB2      ARG  13  -9.739  -2.241   2.201
  111    HB3  ARG  13           HB1      ARG  13 -10.626  -3.499   1.355
  112    HG2  ARG  13           HG2      ARG  13  -9.516  -5.191   2.754
  113    HG3  ARG  13           HG1      ARG  13  -8.695  -3.897   3.631
  114    HD2  ARG  13           HD2      ARG  13 -10.823  -2.994   4.348
  115    HD3  ARG  13           HD1      ARG  13 -11.684  -4.209   3.408
  116    HE   ARG  13           HE       ARG  13  -9.899  -5.383   5.306
  117   HH11  ARG  13          HH11      ARG  13 -13.056  -3.915   4.915
  118   HH12  ARG  13          HH12      ARG  13 -13.747  -4.729   6.284
  119   HH21  ARG  13          HH21      ARG  13 -10.805  -6.444   7.137
  120   HH22  ARG  13          HH22      ARG  13 -12.473  -6.156   7.548
  121    H    ARG  14           HN       ARG  14  -6.420  -4.731   1.100
  122    HA   ARG  14           HA       ARG  14  -4.985  -2.651   2.588
  123    HB2  ARG  14           HB2      ARG  14  -4.199  -5.532   2.103
  124    HB3  ARG  14           HB1      ARG  14  -3.389  -4.394   3.170
  125    HG2  ARG  14           HG2      ARG  14  -5.377  -4.295   4.584
  126    HG3  ARG  14           HG1      ARG  14  -6.198  -5.430   3.514
  127    HD2  ARG  14           HD2      ARG  14  -4.371  -7.068   3.987
  128    HD3  ARG  14           HD1      ARG  14  -3.748  -5.941   5.188
  129    HE   ARG  14           HE       ARG  14  -6.519  -6.594   5.572
  130   HH11  ARG  14          HH11      ARG  14  -3.217  -7.555   6.244
  131   HH12  ARG  14          HH12      ARG  14  -3.635  -8.509   7.633
  132   HH21  ARG  14          HH21      ARG  14  -7.078  -7.848   7.390
  133   HH22  ARG  14          HH22      ARG  14  -5.845  -8.693   8.277
  134    H    GLU  15           HN       GLU  15  -5.468  -3.571  -0.508
  135    HA   GLU  15           HA       GLU  15  -2.706  -3.098  -1.374
  136    HB2  GLU  15           HB2      GLU  15  -5.048  -4.092  -3.019
  137    HB3  GLU  15           HB1      GLU  15  -3.356  -4.060  -3.502
  138    HG2  GLU  15           HG2      GLU  15  -2.833  -5.666  -1.716
  139    HG3  GLU  15           HG1      GLU  15  -4.541  -5.733  -1.293
  140    H    SER  16           HN       SER  16  -2.224  -1.427  -2.842
  141    HA   SER  16           HA       SER  16  -4.015   0.837  -2.529
  142    HB2  SER  16           HB2      SER  16  -1.336   0.755  -3.935
  143    HB3  SER  16           HB1      SER  16  -2.158   2.167  -3.275
  144    HG   SER  16           HG       SER  16  -1.968   1.008  -1.186
  145    H    TYR  17           HN       TYR  17  -5.525   1.339  -4.013
  146    HA   TYR  17           HA       TYR  17  -5.607   0.009  -6.547
  147    HB2  TYR  17           HB2      TYR  17  -7.609   0.745  -5.163
  148    HB3  TYR  17           HB1      TYR  17  -7.265   2.387  -5.691
  149    HD1  TYR  17           HD1      TYR  17  -7.726   3.078  -7.984
  150    HD2  TYR  17           HD2      TYR  17  -8.472  -0.913  -6.713
  151    HE1  TYR  17           HE1      TYR  17  -9.082   2.691  -9.999
  152    HE2  TYR  17           HE2      TYR  17  -9.825  -1.306  -8.725
  153    HH   TYR  17           HH       TYR  17  -9.780   0.667 -11.393
  154    H    SER  18           HN       SER  18  -4.190   0.536  -8.065
  155    HA   SER  18           HA       SER  18  -3.146   3.219  -8.295
  156    HB2  SER  18           HB2      SER  18  -2.570   0.771  -9.978
  157    HB3  SER  18           HB1      SER  18  -1.615   2.257  -9.911
  158    HG   SER  18           HG       SER  18  -1.750   1.554  -7.455
  159    H    GLY  19           HN       GLY  19  -5.116   0.997 -10.236
  160    HA2  GLY  19           HA2      GLY  19  -6.655   3.014 -11.420
  161    HA3  GLY  19           HA1      GLY  19  -5.334   2.632 -12.518
  162    H    SER  20           HN       SER  20  -6.721   1.786 -14.084
  163    HA   SER  20           HA       SER  20  -7.711  -0.911 -13.436
  164    HB2  SER  20           HB2      SER  20  -9.153   1.103 -15.183
  165    HB3  SER  20           HB1      SER  20  -9.695  -0.535 -14.811
  166    HG   SER  20           HG       SER  20 -10.554   1.346 -13.525
  167    H    CYS  21           HN       CYS  21  -7.111  -2.450 -14.857
  168    HA   CYS  21           HA       CYS  21  -5.793  -1.598 -17.335
  169    HB2  CYS  21           HB2      CYS  21  -5.608  -4.159 -15.783
  170    HB3  CYS  21           HB1      CYS  21  -4.884  -3.918 -17.369
  171    H    ASN  22           HN       ASN  22  -6.536  -2.290 -19.321
  172    HA   ASN  22           HA       ASN  22  -8.711  -4.283 -19.298
  173    HB2  ASN  22           HB2      ASN  22  -9.449  -1.990 -20.032
  174    HB3  ASN  22           HB1      ASN  22  -8.321  -2.115 -21.378
  175   HD21  ASN  22          HD21      ASN  22 -11.271  -1.887 -21.260
  176   HD22  ASN  22          HD22      ASN  22 -11.882  -3.220 -22.183
  177    H    ILE  23           HN       ILE  23  -7.723  -6.126 -19.774
  178    HA   ILE  23           HA       ILE  23  -5.783  -6.135 -21.998
  179    HB   ILE  23           HB       ILE  23  -5.692  -7.859 -19.512
  180   HG12  ILE  23          HG12      ILE  23  -3.856  -5.612 -20.373
  181   HG13  ILE  23          HG11      ILE  23  -5.069  -5.487 -19.108
  182   HG21  ILE  23          HG21      ILE  23  -3.524  -8.613 -20.386
  183   HG22  ILE  23          HG22      ILE  23  -3.794  -7.666 -21.850
  184   HG23  ILE  23          HG23      ILE  23  -4.855  -9.022 -21.468
  185   HD11  ILE  23          HD11      ILE  23  -2.656  -7.277 -19.085
  186   HD12  ILE  23          HD12      ILE  23  -3.889  -7.209 -17.827
  187   HD13  ILE  23          HD13      ILE  23  -2.877  -5.799 -18.152
  188    H    ASN  24           HN       ASN  24  -6.388  -7.354 -23.636
  189    HA   ASN  24           HA       ASN  24  -7.360  -8.972 -24.898
  190    HB2  ASN  24           HB2      ASN  24  -7.515 -10.447 -22.261
  191    HB3  ASN  24           HB1      ASN  24  -7.880 -11.167 -23.826
  192   HD21  ASN  24          HD21      ASN  24  -5.852 -11.898 -21.881
  193   HD22  ASN  24          HD22      ASN  24  -4.334 -11.787 -22.707
  194    H    GLY  25           HN       GLY  25  -8.956  -6.864 -23.593
  195    HA2  GLY  25           HA2      GLY  25 -11.181  -6.253 -23.708
  196    HA3  GLY  25           HA1      GLY  25 -11.565  -7.882 -24.246
  197    H    ARG  26           HN       ARG  26  -9.711  -7.768 -21.420
  198    HA   ARG  26           HA       ARG  26 -12.115  -8.223 -19.791
  199    HB2  ARG  26           HB2      ARG  26  -9.418  -9.503 -19.330
  200    HB3  ARG  26           HB1      ARG  26 -10.948  -9.910 -18.564
  201    HG2  ARG  26           HG2      ARG  26 -11.801 -10.713 -20.715
  202    HG3  ARG  26           HG1      ARG  26 -10.249 -10.329 -21.459
  203    HD2  ARG  26           HD2      ARG  26  -9.163 -11.890 -19.855
  204    HD3  ARG  26           HD1      ARG  26 -10.769 -12.350 -19.284
  205    HE   ARG  26           HE       ARG  26  -9.715 -12.834 -21.994
  206   HH11  ARG  26          HH11      ARG  26 -11.947 -13.584 -19.401
  207   HH12  ARG  26          HH12      ARG  26 -12.646 -14.946 -20.227
  208   HH21  ARG  26          HH21      ARG  26 -10.619 -14.614 -23.077
  209   HH22  ARG  26          HH22      ARG  26 -11.871 -15.549 -22.321
  210    H    ILE  27           HN       ILE  27 -12.311  -6.922 -18.089
  211    HA   ILE  27           HA       ILE  27 -10.260  -4.971 -17.608
  212    HB   ILE  27           HB       ILE  27 -12.586  -4.267 -17.566
  213   HG12  ILE  27          HG12      ILE  27 -11.267  -4.085 -14.851
  214   HG13  ILE  27          HG11      ILE  27 -10.952  -3.033 -16.225
  215   HG21  ILE  27          HG21      ILE  27 -13.589  -6.334 -16.738
  216   HG22  ILE  27          HG22      ILE  27 -14.115  -4.943 -15.791
  217   HG23  ILE  27          HG23      ILE  27 -12.893  -6.040 -15.145
  218   HD11  ILE  27          HD11      ILE  27 -13.573  -3.276 -14.767
  219   HD12  ILE  27          HD12      ILE  27 -13.236  -2.202 -16.125
  220   HD13  ILE  27          HD13      ILE  27 -12.402  -1.970 -14.587
  221    H    PHE  28           HN       PHE  28  -8.762  -5.001 -16.107
  222    HA   PHE  28           HA       PHE  28  -9.076  -6.782 -13.792
  223    HB2  PHE  28           HB2      PHE  28  -6.476  -6.176 -15.226
  224    HB3  PHE  28           HB1      PHE  28  -6.680  -7.235 -13.838
  225    HD1  PHE  28           HD1      PHE  28  -8.042  -9.346 -14.129
  226    HD2  PHE  28           HD2      PHE  28  -6.688  -6.987 -17.402
  227    HE1  PHE  28           HE1      PHE  28  -8.345 -11.267 -15.633
  228    HE2  PHE  28           HE2      PHE  28  -7.000  -8.904 -18.912
  229    HZ   PHE  28           HZ       PHE  28  -7.828 -11.047 -18.027
  230    H    SER  29           HN       SER  29  -9.288  -5.505 -12.038
  231    HA   SER  29           HA       SER  29  -8.647  -2.784 -11.937
  232    HB2  SER  29           HB2      SER  29  -8.905  -3.019  -9.466
  233    HB3  SER  29           HB1      SER  29 -10.233  -3.751 -10.368
  234    HG   SER  29           HG       SER  29  -8.812  -5.752 -10.147
  235    H    LEU  30           HN       LEU  30  -6.755  -1.756 -11.755
  236    HA   LEU  30           HA       LEU  30  -4.361  -3.349 -11.342
  237    HB2  LEU  30           HB2      LEU  30  -4.748  -1.415 -13.082
  238    HB3  LEU  30           HB1      LEU  30  -4.355  -0.374 -11.730
  239    HG   LEU  30           HG       LEU  30  -2.545  -2.491 -12.911
  240   HD11  LEU  30          HD11      LEU  30  -2.836  -0.557 -14.360
  241   HD12  LEU  30          HD12      LEU  30  -1.213  -0.595 -13.675
  242   HD13  LEU  30          HD13      LEU  30  -2.416   0.518 -13.027
  243   HD21  LEU  30          HD21      LEU  30  -2.152  -2.234 -10.518
  244   HD22  LEU  30          HD22      LEU  30  -2.011  -0.487 -10.719
  245   HD23  LEU  30          HD23      LEU  30  -0.818  -1.559 -11.453
  246    H    CYS  31           HN       CYS  31  -4.168  -3.839  -9.230
  247    HA   CYS  31           HA       CYS  31  -4.138  -1.579  -7.351
  248    HB2  CYS  31           HB2      CYS  31  -4.920  -4.450  -6.805
  249    HB3  CYS  31           HB1      CYS  31  -4.769  -3.196  -5.579
  250    H    CYS  32           HN       CYS  32  -2.264  -1.167  -6.491
  251    HA   CYS  32           HA       CYS  32  -0.063  -3.016  -6.914
  252    HB2  CYS  32           HB2      CYS  32   0.029  -0.521  -7.441
  253    HB3  CYS  32           HB1      CYS  32   0.064  -0.261  -5.701
  254    H    ARG  33           HN       ARG  33   0.071  -4.525  -5.444
  255    HA   ARG  33           HA       ARG  33  -1.068  -4.494  -2.886
  256    HB2  ARG  33           HB2      ARG  33   1.307  -6.211  -3.530
  257    HB3  ARG  33           HB1      ARG  33  -0.151  -6.625  -2.636
  258    HG2  ARG  33           HG2      ARG  33  -1.428  -6.592  -4.738
  259    HG3  ARG  33           HG1      ARG  33   0.061  -6.228  -5.613
  260    HD2  ARG  33           HD2      ARG  33  -0.286  -8.557  -5.823
  261    HD3  ARG  33           HD1      ARG  33   1.012  -8.349  -4.647
  262    HE   ARG  33           HE       ARG  33  -1.747  -8.698  -3.705
  263   HH11  ARG  33          HH11      ARG  33   1.537  -9.901  -3.982
  264   HH12  ARG  33          HH12      ARG  33   1.293 -11.195  -2.849
  265   HH21  ARG  33          HH21      ARG  33  -2.074 -10.388  -2.234
  266   HH22  ARG  33          HH22      ARG  33  -0.770 -11.462  -1.823
  Start of MODEL    8
    1    H1   ARG   1           HT1      ARG   1   0.478   0.507  -0.213
    2    H2   ARG   1           HT2      ARG   1   2.027   0.511   0.474
    3    H3   ARG   1           HT3      ARG   1   1.366  -0.938  -0.117
    4    HA   ARG   1           HA       ARG   1   1.409  -0.118  -2.349
    5    HB2  ARG   1           HB2      ARG   1   1.072   2.286  -1.658
    6    HB3  ARG   1           HB1      ARG   1   2.769   2.332  -1.206
    7    HG2  ARG   1           HG2      ARG   1   3.337   1.739  -3.562
    8    HG3  ARG   1           HG1      ARG   1   1.627   1.921  -3.958
    9    HD2  ARG   1           HD2      ARG   1   1.771   4.251  -3.019
   10    HD3  ARG   1           HD1      ARG   1   3.518   4.028  -2.931
   11    HE   ARG   1           HE       ARG   1   1.990   3.896  -5.457
   12   HH11  ARG   1          HH11      ARG   1   4.831   4.865  -3.633
   13   HH12  ARG   1          HH12      ARG   1   5.571   5.660  -4.985
   14   HH21  ARG   1          HH21      ARG   1   2.970   4.946  -7.217
   15   HH22  ARG   1          HH22      ARG   1   4.519   5.708  -7.020
   16    H    ARG   2           HN       ARG   2   2.749  -1.977  -2.283
   17    HA   ARG   2           HA       ARG   2   5.604  -1.295  -2.295
   18    HB2  ARG   2           HB2      ARG   2   4.694  -2.539  -0.154
   19    HB3  ARG   2           HB1      ARG   2   4.756  -3.948  -1.205
   20    HG2  ARG   2           HG2      ARG   2   6.797  -3.933  -0.057
   21    HG3  ARG   2           HG1      ARG   2   7.168  -3.310  -1.669
   22    HD2  ARG   2           HD2      ARG   2   6.948  -1.006  -0.756
   23    HD3  ARG   2           HD1      ARG   2   6.758  -1.707   0.850
   24    HE   ARG   2           HE       ARG   2   9.201  -1.486  -0.696
   25   HH11  ARG   2          HH11      ARG   2   7.600  -3.092   1.972
   26   HH12  ARG   2          HH12      ARG   2   9.060  -3.338   2.875
   27   HH21  ARG   2          HH21      ARG   2  11.132  -1.800   0.490
   28   HH22  ARG   2          HH22      ARG   2  11.077  -2.652   2.003
   29    H    THR   3           HN       THR   3   3.101  -3.680  -3.116
   30    HA   THR   3           HA       THR   3   4.737  -4.457  -5.450
   31    HB   THR   3           HB       THR   3   2.635  -6.181  -4.133
   32    HG1  THR   3           HG1      THR   3   5.455  -6.061  -3.650
   33   HG21  THR   3          HG21      THR   3   4.907  -6.816  -6.022
   34   HG22  THR   3          HG22      THR   3   3.192  -6.772  -6.430
   35   HG23  THR   3          HG23      THR   3   3.801  -7.995  -5.317
   36    H    CYS   4           HN       CYS   4   3.893  -3.527  -7.228
   37    HA   CYS   4           HA       CYS   4   0.979  -3.067  -7.252
   38    HB2  CYS   4           HB2      CYS   4   2.849  -1.496  -8.977
   39    HB3  CYS   4           HB1      CYS   4   1.301  -1.026  -8.292
   40    H    ARG   5           HN       ARG   5  -0.206  -3.802  -8.934
   41    HA   ARG   5           HA       ARG   5   0.787  -4.073 -11.571
   42    HB2  ARG   5           HB2      ARG   5   0.679  -6.452 -11.904
   43    HB3  ARG   5           HB1      ARG   5   1.814  -6.125 -10.604
   44    HG2  ARG   5           HG2      ARG   5   0.444  -7.022  -8.993
   45    HG3  ARG   5           HG1      ARG   5  -1.021  -6.767  -9.946
   46    HD2  ARG   5           HD2      ARG   5   1.152  -8.757 -10.587
   47    HD3  ARG   5           HD1      ARG   5  -0.374  -9.142  -9.793
   48    HE   ARG   5           HE       ARG   5  -1.179  -7.937 -12.071
   49   HH11  ARG   5          HH11      ARG   5   1.004 -10.594 -11.426
   50   HH12  ARG   5          HH12      ARG   5   0.727 -11.361 -12.957
   51   HH21  ARG   5          HH21      ARG   5  -1.570  -8.941 -14.066
   52   HH22  ARG   5          HH22      ARG   5  -0.753 -10.423 -14.470
   53    H    CYS   6           HN       CYS   6  -0.887  -4.609 -13.089
   54    HA   CYS   6           HA       CYS   6  -3.554  -4.192 -12.160
   55    HB2  CYS   6           HB2      CYS   6  -3.040  -5.264 -14.866
   56    HB3  CYS   6           HB1      CYS   6  -3.955  -3.838 -14.370
   57    H    ARG   7           HN       ARG   7  -4.979  -5.703 -11.523
   58    HA   ARG   7           HA       ARG   7  -4.363  -8.532 -12.094
   59    HB2  ARG   7           HB2      ARG   7  -5.475  -7.265  -9.595
   60    HB3  ARG   7           HB1      ARG   7  -5.543  -8.994  -9.905
   61    HG2  ARG   7           HG2      ARG   7  -3.149  -9.144  -9.920
   62    HG3  ARG   7           HG1      ARG   7  -3.000  -7.389  -9.796
   63    HD2  ARG   7           HD2      ARG   7  -2.672  -8.639  -7.647
   64    HD3  ARG   7           HD1      ARG   7  -3.908  -7.382  -7.601
   65    HE   ARG   7           HE       ARG   7  -4.637 -10.215  -8.012
   66   HH11  ARG   7          HH11      ARG   7  -4.880  -7.214  -6.243
   67   HH12  ARG   7          HH12      ARG   7  -6.172  -7.759  -5.229
   68   HH21  ARG   7          HH21      ARG   7  -6.363 -10.945  -6.710
   69   HH22  ARG   7          HH22      ARG   7  -7.035  -9.888  -5.512
   70    H    PHE   8           HN       PHE   8  -6.081  -9.927 -12.497
   71    HA   PHE   8           HA       PHE   8  -8.180  -8.801 -13.987
   72    HB2  PHE   8           HB2      PHE   8  -9.057 -11.072 -14.198
   73    HB3  PHE   8           HB1      PHE   8  -7.317 -11.048 -14.443
   74    HD1  PHE   8           HD1      PHE   8 -10.046 -12.361 -12.491
   75    HD2  PHE   8           HD2      PHE   8  -5.819 -11.892 -12.628
   76    HE1  PHE   8           HE1      PHE   8  -9.802 -14.125 -10.799
   77    HE2  PHE   8           HE2      PHE   8  -5.567 -13.656 -10.930
   78    HZ   PHE   8           HZ       PHE   8  -7.561 -14.776 -10.016
   79    H    GLY   9           HN       GLY   9 -10.151  -8.139 -13.501
   80    HA2  GLY   9           HA2      GLY   9 -12.190  -8.067 -12.380
   81    HA3  GLY   9           HA1      GLY   9 -11.533  -9.155 -11.166
   82    H    ARG  10           HN       ARG  10 -11.699  -8.194  -9.263
   83    HA   ARG  10           HA       ARG  10 -11.005  -5.343  -9.062
   84    HB2  ARG  10           HB2      ARG  10 -12.373  -5.381  -6.959
   85    HB3  ARG  10           HB1      ARG  10 -13.285  -5.646  -8.436
   86    HG2  ARG  10           HG2      ARG  10 -14.189  -7.223  -7.037
   87    HG3  ARG  10           HG1      ARG  10 -12.953  -8.165  -7.869
   88    HD2  ARG  10           HD2      ARG  10 -11.424  -7.756  -5.965
   89    HD3  ARG  10           HD1      ARG  10 -12.734  -6.920  -5.131
   90    HE   ARG  10           HE       ARG  10 -13.102  -9.710  -5.982
   91   HH11  ARG  10          HH11      ARG  10 -12.737  -7.360  -3.406
   92   HH12  ARG  10          HH12      ARG  10 -13.340  -8.424  -2.167
   93   HH21  ARG  10          HH21      ARG  10 -13.882 -11.116  -4.361
   94   HH22  ARG  10          HH22      ARG  10 -13.994 -10.565  -2.720
   95    H    CYS  11           HN       CYS  11 -10.237  -4.786  -6.743
   96    HA   CYS  11           HA       CYS  11  -8.128  -6.729  -6.073
   97    HB2  CYS  11           HB2      CYS  11  -8.137  -3.740  -5.591
   98    HB3  CYS  11           HB1      CYS  11  -6.786  -4.841  -5.342
   99    H    PHE  12           HN       PHE  12  -7.293  -6.149  -3.687
  100    HA   PHE  12           HA       PHE  12  -9.632  -6.546  -1.976
  101    HB2  PHE  12           HB2      PHE  12  -6.680  -6.870  -1.382
  102    HB3  PHE  12           HB1      PHE  12  -7.989  -7.247  -0.267
  103    HD1  PHE  12           HD1      PHE  12  -9.822  -8.880  -1.312
  104    HD2  PHE  12           HD2      PHE  12  -5.761  -8.608  -2.552
  105    HE1  PHE  12           HE1      PHE  12  -9.954 -11.157  -2.236
  106    HE2  PHE  12           HE2      PHE  12  -5.885 -10.881  -3.479
  107    HZ   PHE  12           HZ       PHE  12  -7.985 -12.158  -3.327
  108    H    ARG  13           HN       ARG  13  -9.468  -5.509   0.266
  109    HA   ARG  13           HA       ARG  13  -9.419  -2.676  -0.251
  110    HB2  ARG  13           HB2      ARG  13 -10.099  -4.089   2.330
  111    HB3  ARG  13           HB1      ARG  13 -10.503  -2.434   1.893
  112    HG2  ARG  13           HG2      ARG  13 -11.861  -3.374   0.000
  113    HG3  ARG  13           HG1      ARG  13 -11.607  -4.969   0.713
  114    HD2  ARG  13           HD2      ARG  13 -13.700  -4.207   1.509
  115    HD3  ARG  13           HD1      ARG  13 -12.567  -4.028   2.849
  116    HE   ARG  13           HE       ARG  13 -12.998  -1.689   1.154
  117   HH11  ARG  13          HH11      ARG  13 -13.651  -3.328   4.183
  118   HH12  ARG  13          HH12      ARG  13 -14.319  -1.920   4.944
  119   HH21  ARG  13          HH21      ARG  13 -13.865   0.174   2.173
  120   HH22  ARG  13          HH22      ARG  13 -14.443   0.062   3.811
  121    H    ARG  14           HN       ARG  14  -6.979  -4.661   0.477
  122    HA   ARG  14           HA       ARG  14  -5.659  -2.774   2.300
  123    HB2  ARG  14           HB2      ARG  14  -4.621  -5.433   1.299
  124    HB3  ARG  14           HB1      ARG  14  -3.911  -4.439   2.562
  125    HG2  ARG  14           HG2      ARG  14  -6.079  -4.772   3.838
  126    HG3  ARG  14           HG1      ARG  14  -6.459  -6.023   2.653
  127    HD2  ARG  14           HD2      ARG  14  -4.179  -5.932   4.610
  128    HD3  ARG  14           HD1      ARG  14  -5.459  -7.137   4.478
  129    HE   ARG  14           HE       ARG  14  -3.323  -6.798   2.459
  130   HH11  ARG  14          HH11      ARG  14  -5.445  -8.819   4.373
  131   HH12  ARG  14          HH12      ARG  14  -4.806 -10.307   3.744
  132   HH21  ARG  14          HH21      ARG  14  -2.470  -8.741   1.632
  133   HH22  ARG  14          HH22      ARG  14  -3.094 -10.266   2.193
  134    H    GLU  15           HN       GLU  15  -6.150  -3.183  -0.897
  135    HA   GLU  15           HA       GLU  15  -3.451  -2.329  -1.694
  136    HB2  GLU  15           HB2      GLU  15  -5.728  -3.388  -3.387
  137    HB3  GLU  15           HB1      GLU  15  -4.116  -2.987  -3.965
  138    HG2  GLU  15           HG2      GLU  15  -3.149  -4.767  -2.691
  139    HG3  GLU  15           HG1      GLU  15  -4.692  -5.103  -1.907
  140    H    SER  16           HN       SER  16  -3.206  -0.491  -2.997
  141    HA   SER  16           HA       SER  16  -5.485   1.342  -2.966
  142    HB2  SER  16           HB2      SER  16  -2.561   1.861  -3.561
  143    HB3  SER  16           HB1      SER  16  -3.823   3.091  -3.479
  144    HG   SER  16           HG       SER  16  -4.113   1.897  -1.246
  145    H    TYR  17           HN       TYR  17  -6.386   2.135  -4.821
  146    HA   TYR  17           HA       TYR  17  -5.934   0.552  -7.199
  147    HB2  TYR  17           HB2      TYR  17  -8.213   1.182  -6.347
  148    HB3  TYR  17           HB1      TYR  17  -7.851   2.853  -6.758
  149    HD1  TYR  17           HD1      TYR  17  -8.280   3.657  -8.919
  150    HD2  TYR  17           HD2      TYR  17  -8.194  -0.541  -8.234
  151    HE1  TYR  17           HE1      TYR  17  -9.152   3.275 -11.186
  152    HE2  TYR  17           HE2      TYR  17  -9.062  -0.937 -10.500
  153    HH   TYR  17           HH       TYR  17  -9.239   1.555 -12.864
  154    H    SER  18           HN       SER  18  -4.251   1.097  -8.411
  155    HA   SER  18           HA       SER  18  -3.310   3.815  -8.588
  156    HB2  SER  18           HB2      SER  18  -2.385   1.454 -10.227
  157    HB3  SER  18           HB1      SER  18  -1.482   2.913  -9.822
  158    HG   SER  18           HG       SER  18  -1.825   2.138  -7.536
  159    H    GLY  19           HN       GLY  19  -4.737   1.423 -10.806
  160    HA2  GLY  19           HA2      GLY  19  -6.231   3.317 -12.260
  161    HA3  GLY  19           HA1      GLY  19  -4.721   3.023 -13.113
  162    H    SER  20           HN       SER  20  -5.710   2.017 -14.882
  163    HA   SER  20           HA       SER  20  -6.698  -0.693 -14.302
  164    HB2  SER  20           HB2      SER  20  -8.379  -0.404 -16.133
  165    HB3  SER  20           HB1      SER  20  -8.669   0.641 -14.743
  166    HG   SER  20           HG       SER  20  -8.568   2.252 -16.073
  167    H    CYS  21           HN       CYS  21  -6.057  -2.280 -15.710
  168    HA   CYS  21           HA       CYS  21  -4.495  -1.448 -18.051
  169    HB2  CYS  21           HB2      CYS  21  -3.967  -3.807 -16.277
  170    HB3  CYS  21           HB1      CYS  21  -3.078  -3.402 -17.744
  171    H    ASN  22           HN       ASN  22  -5.742  -1.926 -19.787
  172    HA   ASN  22           HA       ASN  22  -7.361  -4.370 -19.715
  173    HB2  ASN  22           HB2      ASN  22  -8.496  -2.303 -20.397
  174    HB3  ASN  22           HB1      ASN  22  -7.353  -2.102 -21.720
  175   HD21  ASN  22          HD21      ASN  22  -8.928  -2.151 -23.279
  176   HD22  ASN  22          HD22      ASN  22  -9.779  -3.602 -23.702
  177    H    ILE  23           HN       ILE  23  -6.133  -6.069 -20.204
  178    HA   ILE  23           HA       ILE  23  -4.587  -5.980 -22.707
  179    HB   ILE  23           HB       ILE  23  -3.662  -7.327 -20.154
  180   HG12  ILE  23          HG12      ILE  23  -2.541  -4.886 -21.548
  181   HG13  ILE  23          HG11      ILE  23  -3.498  -4.848 -20.072
  182   HG21  ILE  23          HG21      ILE  23  -1.565  -7.694 -21.416
  183   HG22  ILE  23          HG22      ILE  23  -2.352  -7.060 -22.859
  184   HG23  ILE  23          HG23      ILE  23  -2.946  -8.542 -22.113
  185   HD11  ILE  23          HD11      ILE  23  -1.131  -4.621 -19.594
  186   HD12  ILE  23          HD12      ILE  23  -0.810  -6.158 -20.397
  187   HD13  ILE  23          HD13      ILE  23  -1.767  -6.118 -18.916
  188    H    ASN  24           HN       ASN  24  -4.786  -7.771 -23.983
  189    HA   ASN  24           HA       ASN  24  -5.433  -9.814 -24.742
  190    HB2  ASN  24           HB2      ASN  24  -4.206 -10.611 -22.689
  191    HB3  ASN  24           HB1      ASN  24  -5.740 -10.611 -21.834
  192   HD21  ASN  24          HD21      ASN  24  -3.882 -12.085 -24.396
  193   HD22  ASN  24          HD22      ASN  24  -4.803 -13.557 -24.480
  194    H    GLY  25           HN       GLY  25  -7.324  -7.616 -23.583
  195    HA2  GLY  25           HA2      GLY  25  -9.588  -7.288 -24.032
  196    HA3  GLY  25           HA1      GLY  25  -9.764  -9.016 -24.306
  197    H    ARG  26           HN       ARG  26  -8.088  -8.371 -21.462
  198    HA   ARG  26           HA       ARG  26 -10.545  -8.697 -19.871
  199    HB2  ARG  26           HB2      ARG  26  -7.785  -9.810 -19.298
  200    HB3  ARG  26           HB1      ARG  26  -9.179  -9.959 -18.240
  201    HG2  ARG  26           HG2      ARG  26  -9.111 -11.065 -21.035
  202    HG3  ARG  26           HG1      ARG  26  -8.624 -11.986 -19.613
  203    HD2  ARG  26           HD2      ARG  26 -10.865 -12.581 -20.035
  204    HD3  ARG  26           HD1      ARG  26 -10.910 -11.480 -18.662
  205    HE   ARG  26           HE       ARG  26 -11.279 -10.058 -21.091
  206   HH11  ARG  26          HH11      ARG  26 -12.921 -12.232 -18.894
  207   HH12  ARG  26          HH12      ARG  26 -14.512 -11.647 -19.286
  208   HH21  ARG  26          HH21      ARG  26 -13.382  -9.306 -21.649
  209   HH22  ARG  26          HH22      ARG  26 -14.773 -10.010 -20.875
  210    H    ILE  27           HN       ILE  27 -10.822  -7.277 -18.222
  211    HA   ILE  27           HA       ILE  27  -8.959  -5.070 -18.140
  212    HB   ILE  27           HB       ILE  27 -11.309  -4.515 -18.243
  213   HG12  ILE  27          HG12      ILE  27 -10.052  -3.840 -15.582
  214   HG13  ILE  27          HG11      ILE  27  -9.829  -2.978 -17.097
  215   HG21  ILE  27          HG21      ILE  27 -11.598  -5.968 -15.618
  216   HG22  ILE  27          HG22      ILE  27 -12.272  -6.461 -17.170
  217   HG23  ILE  27          HG23      ILE  27 -12.846  -4.989 -16.389
  218   HD11  ILE  27          HD11      ILE  27 -12.424  -3.206 -15.590
  219   HD12  ILE  27          HD12      ILE  27 -12.160  -2.308 -17.085
  220   HD13  ILE  27          HD13      ILE  27 -11.353  -1.805 -15.599
  221    H    PHE  28           HN       PHE  28  -7.242  -5.268 -16.947
  222    HA   PHE  28           HA       PHE  28  -7.384  -6.633 -14.359
  223    HB2  PHE  28           HB2      PHE  28  -4.959  -5.616 -15.862
  224    HB3  PHE  28           HB1      PHE  28  -4.948  -6.629 -14.427
  225    HD1  PHE  28           HD1      PHE  28  -4.838  -6.571 -17.950
  226    HD2  PHE  28           HD2      PHE  28  -6.081  -8.947 -14.652
  227    HE1  PHE  28           HE1      PHE  28  -4.785  -8.574 -19.376
  228    HE2  PHE  28           HE2      PHE  28  -6.030 -10.955 -16.069
  229    HZ   PHE  28           HZ       PHE  28  -5.383 -10.772 -18.435
  230    H    SER  29           HN       SER  29  -7.884  -5.323 -12.709
  231    HA   SER  29           HA       SER  29  -7.555  -2.497 -12.797
  232    HB2  SER  29           HB2      SER  29  -8.125  -4.326 -10.449
  233    HB3  SER  29           HB1      SER  29  -8.284  -2.569 -10.438
  234    HG   SER  29           HG       SER  29  -9.967  -4.481 -11.442
  235    H    LEU  30           HN       LEU  30  -5.762  -1.402 -12.486
  236    HA   LEU  30           HA       LEU  30  -3.361  -2.696 -11.574
  237    HB2  LEU  30           HB2      LEU  30  -3.206  -1.083 -13.369
  238    HB3  LEU  30           HB1      LEU  30  -3.971   0.149 -12.387
  239    HG   LEU  30           HG       LEU  30  -1.994   0.171 -10.904
  240   HD11  LEU  30          HD11      LEU  30  -1.213  -2.102 -11.257
  241   HD12  LEU  30          HD12      LEU  30   0.060  -0.941 -11.633
  242   HD13  LEU  30          HD13      LEU  30  -0.832  -1.725 -12.936
  243   HD21  LEU  30          HD21      LEU  30  -1.386   0.599 -13.827
  244   HD22  LEU  30          HD22      LEU  30  -0.504   1.305 -12.472
  245   HD23  LEU  30          HD23      LEU  30  -2.187   1.751 -12.756
  246    H    CYS  31           HN       CYS  31  -3.190  -3.102  -9.467
  247    HA   CYS  31           HA       CYS  31  -3.742  -0.904  -7.589
  248    HB2  CYS  31           HB2      CYS  31  -4.376  -3.835  -7.167
  249    HB3  CYS  31           HB1      CYS  31  -4.552  -2.576  -5.950
  250    H    CYS  32           HN       CYS  32  -2.581  -1.221  -5.493
  251    HA   CYS  32           HA       CYS  32  -0.165  -2.831  -5.712
  252    HB2  CYS  32           HB2      CYS  32   0.300  -0.549  -6.661
  253    HB3  CYS  32           HB1      CYS  32  -0.089   0.129  -5.085
  254    H    ARG  33           HN       ARG  33   0.142  -3.861  -3.838
  255    HA   ARG  33           HA       ARG  33  -1.062  -2.705  -1.418
  256    HB2  ARG  33           HB2      ARG  33  -1.222  -4.875  -0.467
  257    HB3  ARG  33           HB1      ARG  33  -1.823  -5.018  -2.108
  258    HG2  ARG  33           HG2      ARG  33   0.996  -5.742  -1.363
  259    HG3  ARG  33           HG1      ARG  33  -0.341  -6.881  -1.237
  260    HD2  ARG  33           HD2      ARG  33   0.536  -5.468  -3.754
  261    HD3  ARG  33           HD1      ARG  33   0.899  -7.141  -3.332
  262    HE   ARG  33           HE       ARG  33  -1.763  -6.071  -4.004
  263   HH11  ARG  33          HH11      ARG  33   0.357  -8.808  -3.449
  264   HH12  ARG  33          HH12      ARG  33  -0.729  -9.953  -4.186
  265   HH21  ARG  33          HH21      ARG  33  -3.188  -7.548  -4.936
  266   HH22  ARG  33          HH22      ARG  33  -2.748  -9.233  -5.035
  Start of MODEL    9
    1    H1   ARG   1           HT1      ARG   1   2.078  -0.137  -0.046
    2    H2   ARG   1           HT2      ARG   1   1.491  -1.618  -0.641
    3    H3   ARG   1           HT3      ARG   1   0.421  -0.350  -0.312
    4    HA   ARG   1           HA       ARG   1   0.945  -0.735  -2.694
    5    HB2  ARG   1           HB2      ARG   1   1.472   1.821  -3.018
    6    HB3  ARG   1           HB1      ARG   1  -0.077   1.292  -2.381
    7    HG2  ARG   1           HG2      ARG   1   0.775   1.704  -0.093
    8    HG3  ARG   1           HG1      ARG   1   2.259   2.346  -0.801
    9    HD2  ARG   1           HD2      ARG   1   1.086   4.134  -1.842
   10    HD3  ARG   1           HD1      ARG   1  -0.477   3.419  -1.449
   11    HE   ARG   1           HE       ARG   1   0.272   3.815   0.972
   12   HH11  ARG   1          HH11      ARG   1   1.159   5.851  -1.736
   13   HH12  ARG   1          HH12      ARG   1   1.304   7.291  -0.777
   14   HH21  ARG   1          HH21      ARG   1   0.470   5.721   2.244
   15   HH22  ARG   1          HH22      ARG   1   0.931   7.211   1.482
   16    H    ARG   2           HN       ARG   2   2.773  -2.145  -2.741
   17    HA   ARG   2           HA       ARG   2   5.131  -0.723  -3.738
   18    HB2  ARG   2           HB2      ARG   2   6.606  -2.422  -2.640
   19    HB3  ARG   2           HB1      ARG   2   5.810  -1.328  -1.516
   20    HG2  ARG   2           HG2      ARG   2   4.192  -3.028  -0.950
   21    HG3  ARG   2           HG1      ARG   2   4.876  -4.117  -2.156
   22    HD2  ARG   2           HD2      ARG   2   6.939  -4.257  -0.936
   23    HD3  ARG   2           HD1      ARG   2   6.391  -3.030   0.209
   24    HE   ARG   2           HE       ARG   2   4.589  -4.694   0.797
   25   HH11  ARG   2          HH11      ARG   2   7.683  -5.722  -0.486
   26   HH12  ARG   2          HH12      ARG   2   7.650  -7.267   0.309
   27   HH21  ARG   2          HH21      ARG   2   4.540  -6.726   1.848
   28   HH22  ARG   2          HH22      ARG   2   5.859  -7.834   1.640
   29    H    THR   3           HN       THR   3   3.101  -3.579  -3.629
   30    HA   THR   3           HA       THR   3   4.471  -4.622  -6.026
   31    HB   THR   3           HB       THR   3   2.465  -6.137  -4.356
   32    HG1  THR   3           HG1      THR   3   5.260  -5.795  -3.968
   33   HG21  THR   3          HG21      THR   3   2.918  -7.014  -6.591
   34   HG22  THR   3          HG22      THR   3   3.557  -8.093  -5.352
   35   HG23  THR   3          HG23      THR   3   4.646  -7.031  -6.243
   36    H    CYS   4           HN       CYS   4   3.464  -3.358  -7.583
   37    HA   CYS   4           HA       CYS   4   0.534  -3.218  -7.500
   38    HB2  CYS   4           HB2      CYS   4   2.275  -1.525  -9.266
   39    HB3  CYS   4           HB1      CYS   4   0.661  -1.185  -8.658
   40    H    ARG   5           HN       ARG   5  -0.701  -4.028  -9.077
   41    HA   ARG   5           HA       ARG   5   0.059  -4.049 -11.786
   42    HB2  ARG   5           HB2      ARG   5   0.032  -6.411 -12.308
   43    HB3  ARG   5           HB1      ARG   5   1.324  -6.073 -11.169
   44    HG2  ARG   5           HG2      ARG   5   0.261  -7.178  -9.439
   45    HG3  ARG   5           HG1      ARG   5  -1.330  -7.045 -10.198
   46    HD2  ARG   5           HD2      ARG   5   0.913  -8.649 -11.402
   47    HD3  ARG   5           HD1      ARG   5  -0.221  -9.338 -10.242
   48    HE   ARG   5           HE       ARG   5  -1.990  -8.966 -11.825
   49   HH11  ARG   5          HH11      ARG   5   1.228  -8.450 -13.121
   50   HH12  ARG   5          HH12      ARG   5   0.746  -8.754 -14.758
   51   HH21  ARG   5          HH21      ARG   5  -2.617  -9.368 -13.989
   52   HH22  ARG   5          HH22      ARG   5  -1.427  -9.267 -15.262
   53    H    CYS   6           HN       CYS   6  -1.678  -4.694 -13.178
   54    HA   CYS   6           HA       CYS   6  -4.220  -4.069 -12.052
   55    HB2  CYS   6           HB2      CYS   6  -4.172  -5.067 -14.787
   56    HB3  CYS   6           HB1      CYS   6  -4.592  -3.464 -14.182
   57    H    ARG   7           HN       ARG   7  -5.832  -5.445 -11.467
   58    HA   ARG   7           HA       ARG   7  -5.372  -8.317 -11.943
   59    HB2  ARG   7           HB2      ARG   7  -6.851  -7.162  -9.578
   60    HB3  ARG   7           HB1      ARG   7  -6.282  -8.810  -9.785
   61    HG2  ARG   7           HG2      ARG   7  -3.961  -8.006  -9.663
   62    HG3  ARG   7           HG1      ARG   7  -4.561  -6.368  -9.398
   63    HD2  ARG   7           HD2      ARG   7  -4.034  -7.241  -7.262
   64    HD3  ARG   7           HD1      ARG   7  -5.792  -7.273  -7.391
   65    HE   ARG   7           HE       ARG   7  -4.964  -9.742  -8.242
   66   HH11  ARG   7          HH11      ARG   7  -4.730  -7.861  -5.296
   67   HH12  ARG   7          HH12      ARG   7  -4.498  -9.255  -4.276
   68   HH21  ARG   7          HH21      ARG   7  -4.738 -11.580  -6.910
   69   HH22  ARG   7          HH22      ARG   7  -4.528 -11.379  -5.192
   70    H    PHE   8           HN       PHE   8  -7.166  -9.662 -12.249
   71    HA   PHE   8           HA       PHE   8  -9.376  -8.325 -13.559
   72    HB2  PHE   8           HB2      PHE   8 -10.050 -10.656 -14.204
   73    HB3  PHE   8           HB1      PHE   8  -8.452 -10.178 -14.763
   74    HD1  PHE   8           HD1      PHE   8  -6.445 -11.146 -13.746
   75    HD2  PHE   8           HD2      PHE   8 -10.344 -12.426 -12.625
   76    HE1  PHE   8           HE1      PHE   8  -5.481 -13.159 -12.723
   77    HE2  PHE   8           HE2      PHE   8  -9.384 -14.445 -11.592
   78    HZ   PHE   8           HZ       PHE   8  -6.948 -14.811 -11.641
   79    H    GLY   9           HN       GLY   9 -11.421  -8.210 -12.847
   80    HA2  GLY   9           HA2      GLY   9 -13.314  -8.777 -11.633
   81    HA3  GLY   9           HA1      GLY   9 -12.380 -10.006 -10.795
   82    H    ARG  10           HN       ARG  10 -11.411  -9.533  -8.874
   83    HA   ARG  10           HA       ARG  10 -12.214  -6.958  -7.694
   84    HB2  ARG  10           HB2      ARG  10 -12.334  -8.087  -5.549
   85    HB3  ARG  10           HB1      ARG  10 -13.327  -8.947  -6.719
   86    HG2  ARG  10           HG2      ARG  10 -11.669 -10.656  -6.969
   87    HG3  ARG  10           HG1      ARG  10 -10.524  -9.750  -5.978
   88    HD2  ARG  10           HD2      ARG  10 -12.058  -9.970  -4.061
   89    HD3  ARG  10           HD1      ARG  10 -13.138 -10.943  -5.062
   90    HE   ARG  10           HE       ARG  10 -10.812 -12.276  -5.283
   91   HH11  ARG  10          HH11      ARG  10 -12.546 -11.055  -2.486
   92   HH12  ARG  10          HH12      ARG  10 -11.979 -12.321  -1.438
   93   HH21  ARG  10          HH21      ARG  10 -10.044 -13.921  -3.885
   94   HH22  ARG  10          HH22      ARG  10 -10.543 -13.927  -2.216
   95    H    CYS  11           HN       CYS  11 -10.829  -6.072  -6.057
   96    HA   CYS  11           HA       CYS  11  -8.069  -7.112  -6.043
   97    HB2  CYS  11           HB2      CYS  11  -9.045  -4.260  -5.817
   98    HB3  CYS  11           HB1      CYS  11  -7.417  -4.751  -5.375
   99    H    PHE  12           HN       PHE  12  -6.940  -6.417  -3.925
  100    HA   PHE  12           HA       PHE  12  -8.705  -7.140  -1.733
  101    HB2  PHE  12           HB2      PHE  12  -6.274  -7.962  -2.084
  102    HB3  PHE  12           HB1      PHE  12  -5.798  -6.383  -1.471
  103    HD1  PHE  12           HD1      PHE  12  -5.032  -6.542   0.684
  104    HD2  PHE  12           HD2      PHE  12  -8.404  -8.857  -0.481
  105    HE1  PHE  12           HE1      PHE  12  -5.251  -7.382   2.988
  106    HE2  PHE  12           HE2      PHE  12  -8.631  -9.697   1.816
  107    HZ   PHE  12           HZ       PHE  12  -7.055  -8.961   3.557
  108    H    ARG  13           HN       ARG  13  -9.077  -5.802   0.103
  109    HA   ARG  13           HA       ARG  13  -9.488  -3.077  -0.659
  110    HB2  ARG  13           HB2      ARG  13 -10.027  -4.537   1.928
  111    HB3  ARG  13           HB1      ARG  13 -10.462  -2.855   1.646
  112    HG2  ARG  13           HG2      ARG  13 -11.868  -3.537  -0.234
  113    HG3  ARG  13           HG1      ARG  13 -11.440  -5.220   0.060
  114    HD2  ARG  13           HD2      ARG  13 -12.488  -5.131   2.246
  115    HD3  ARG  13           HD1      ARG  13 -12.857  -3.420   2.022
  116    HE   ARG  13           HE       ARG  13 -13.985  -4.760  -0.127
  117   HH11  ARG  13          HH11      ARG  13 -14.339  -4.748   3.361
  118   HH12  ARG  13          HH12      ARG  13 -16.026  -5.171   3.321
  119   HH21  ARG  13          HH21      ARG  13 -16.195  -5.330  -0.185
  120   HH22  ARG  13          HH22      ARG  13 -17.074  -5.517   1.305
  121    H    ARG  14           HN       ARG  14  -6.812  -4.592   0.517
  122    HA   ARG  14           HA       ARG  14  -5.824  -2.235   1.927
  123    HB2  ARG  14           HB2      ARG  14  -4.767  -5.025   1.584
  124    HB3  ARG  14           HB1      ARG  14  -3.733  -3.727   2.163
  125    HG2  ARG  14           HG2      ARG  14  -5.199  -3.360   4.050
  126    HG3  ARG  14           HG1      ARG  14  -6.306  -4.602   3.456
  127    HD2  ARG  14           HD2      ARG  14  -4.732  -5.333   5.283
  128    HD3  ARG  14           HD1      ARG  14  -4.716  -6.320   3.821
  129    HE   ARG  14           HE       ARG  14  -2.615  -5.329   3.229
  130   HH11  ARG  14          HH11      ARG  14  -3.759  -4.465   6.427
  131   HH12  ARG  14          HH12      ARG  14  -2.169  -4.133   7.045
  132   HH21  ARG  14          HH21      ARG  14  -0.529  -4.880   4.030
  133   HH22  ARG  14          HH22      ARG  14  -0.322  -4.383   5.684
  134    H    GLU  15           HN       GLU  15  -6.022  -3.368  -1.183
  135    HA   GLU  15           HA       GLU  15  -3.426  -2.484  -2.077
  136    HB2  GLU  15           HB2      GLU  15  -5.871  -3.365  -3.611
  137    HB3  GLU  15           HB1      GLU  15  -4.340  -2.930  -4.355
  138    HG2  GLU  15           HG2      GLU  15  -3.274  -4.750  -3.013
  139    HG3  GLU  15           HG1      GLU  15  -4.894  -5.237  -2.516
  140    H    SER  16           HN       SER  16  -2.915  -0.564  -2.905
  141    HA   SER  16           HA       SER  16  -4.856   1.569  -2.827
  142    HB2  SER  16           HB2      SER  16  -1.990   1.606  -3.814
  143    HB3  SER  16           HB1      SER  16  -2.983   3.012  -3.421
  144    HG   SER  16           HG       SER  16  -3.059   1.451  -1.302
  145    H    TYR  17           HN       TYR  17  -5.884   2.492  -4.540
  146    HA   TYR  17           HA       TYR  17  -5.838   0.932  -6.993
  147    HB2  TYR  17           HB2      TYR  17  -7.956   1.591  -5.792
  148    HB3  TYR  17           HB1      TYR  17  -7.629   3.254  -6.254
  149    HD1  TYR  17           HD1      TYR  17  -8.101  -0.133  -7.749
  150    HD2  TYR  17           HD2      TYR  17  -8.509   4.073  -8.239
  151    HE1  TYR  17           HE1      TYR  17  -9.321  -0.501  -9.851
  152    HE2  TYR  17           HE2      TYR  17  -9.726   3.710 -10.344
  153    HH   TYR  17           HH       TYR  17 -10.068   2.084 -12.017
  154    H    SER  18           HN       SER  18  -4.283   1.478  -8.373
  155    HA   SER  18           HA       SER  18  -3.377   4.205  -8.639
  156    HB2  SER  18           HB2      SER  18  -2.596   1.752 -10.229
  157    HB3  SER  18           HB1      SER  18  -1.743   3.295 -10.198
  158    HG   SER  18           HG       SER  18  -0.726   2.572  -8.524
  159    H    GLY  19           HN       GLY  19  -4.973   1.807 -10.732
  160    HA2  GLY  19           HA2      GLY  19  -6.596   3.674 -12.068
  161    HA3  GLY  19           HA1      GLY  19  -5.140   3.419 -13.021
  162    H    SER  20           HN       SER  20  -5.640   2.109 -14.676
  163    HA   SER  20           HA       SER  20  -6.786  -0.490 -14.105
  164    HB2  SER  20           HB2      SER  20  -8.591  -0.198 -15.828
  165    HB3  SER  20           HB1      SER  20  -8.822   0.760 -14.365
  166    HG   SER  20           HG       SER  20  -7.645   1.738 -16.761
  167    H    CYS  21           HN       CYS  21  -6.367  -2.029 -15.671
  168    HA   CYS  21           HA       CYS  21  -4.827  -1.114 -18.006
  169    HB2  CYS  21           HB2      CYS  21  -4.484  -3.699 -16.508
  170    HB3  CYS  21           HB1      CYS  21  -3.576  -3.193 -17.929
  171    H    ASN  22           HN       ASN  22  -6.201  -1.275 -19.703
  172    HA   ASN  22           HA       ASN  22  -8.094  -3.463 -19.870
  173    HB2  ASN  22           HB2      ASN  22  -8.590  -1.152 -20.739
  174    HB3  ASN  22           HB1      ASN  22  -7.385  -1.423 -21.993
  175   HD21  ASN  22          HD21      ASN  22 -10.230  -0.885 -22.216
  176   HD22  ASN  22          HD22      ASN  22 -10.902  -2.209 -23.108
  177    H    ILE  23           HN       ILE  23  -7.223  -5.410 -20.242
  178    HA   ILE  23           HA       ILE  23  -5.049  -5.589 -22.221
  179    HB   ILE  23           HB       ILE  23  -5.606  -7.472 -19.922
  180   HG12  ILE  23          HG12      ILE  23  -3.381  -5.438 -20.227
  181   HG13  ILE  23          HG11      ILE  23  -4.793  -5.234 -19.196
  182   HG21  ILE  23          HG21      ILE  23  -3.410  -8.432 -20.494
  183   HG22  ILE  23          HG22      ILE  23  -3.318  -7.355 -21.887
  184   HG23  ILE  23          HG23      ILE  23  -4.572  -8.590 -21.809
  185   HD11  ILE  23          HD11      ILE  23  -4.113  -7.132 -17.854
  186   HD12  ILE  23          HD12      ILE  23  -2.826  -5.929 -17.932
  187   HD13  ILE  23          HD13      ILE  23  -2.725  -7.398 -18.906
  188    H    ASN  24           HN       ASN  24  -5.885  -6.237 -24.076
  189    HA   ASN  24           HA       ASN  24  -6.781  -7.601 -25.652
  190    HB2  ASN  24           HB2      ASN  24  -6.798  -9.565 -23.354
  191    HB3  ASN  24           HB1      ASN  24  -7.243  -9.997 -25.002
  192   HD21  ASN  24          HD21      ASN  24  -5.006 -10.816 -23.213
  193   HD22  ASN  24          HD22      ASN  24  -3.567 -10.537 -24.142
  194    H    GLY  25           HN       GLY  25  -8.504  -5.940 -23.822
  195    HA2  GLY  25           HA2      GLY  25 -10.764  -5.437 -24.445
  196    HA3  GLY  25           HA1      GLY  25 -11.040  -7.154 -24.694
  197    H    ARG  26           HN       ARG  26  -9.338  -7.111 -21.938
  198    HA   ARG  26           HA       ARG  26 -11.770  -6.862 -20.302
  199    HB2  ARG  26           HB2      ARG  26  -9.438  -8.758 -19.961
  200    HB3  ARG  26           HB1      ARG  26 -10.747  -8.574 -18.799
  201    HG2  ARG  26           HG2      ARG  26 -12.350  -9.272 -20.523
  202    HG3  ARG  26           HG1      ARG  26 -11.014  -9.502 -21.649
  203    HD2  ARG  26           HD2      ARG  26 -10.060 -11.196 -20.155
  204    HD3  ARG  26           HD1      ARG  26 -11.415 -10.972 -19.047
  205    HE   ARG  26           HE       ARG  26 -12.597 -11.547 -21.440
  206   HH11  ARG  26          HH11      ARG  26 -10.261 -13.171 -19.378
  207   HH12  ARG  26          HH12      ARG  26 -10.683 -14.761 -19.945
  208   HH21  ARG  26          HH21      ARG  26 -13.152 -13.637 -22.161
  209   HH22  ARG  26          HH22      ARG  26 -12.311 -15.023 -21.538
  210    H    ILE  27           HN       ILE  27 -11.684  -5.637 -18.513
  211    HA   ILE  27           HA       ILE  27  -9.284  -3.997 -18.291
  212    HB   ILE  27           HB       ILE  27 -11.340  -2.769 -18.571
  213   HG12  ILE  27          HG12      ILE  27 -10.307  -2.523 -15.740
  214   HG13  ILE  27          HG11      ILE  27  -9.578  -1.795 -17.165
  215   HG21  ILE  27          HG21      ILE  27 -12.300  -4.118 -16.048
  216   HG22  ILE  27          HG22      ILE  27 -12.926  -4.374 -17.676
  217   HG23  ILE  27          HG23      ILE  27 -13.132  -2.809 -16.891
  218   HD11  ILE  27          HD11      ILE  27 -10.855  -0.164 -15.910
  219   HD12  ILE  27          HD12      ILE  27 -12.302  -1.160 -16.054
  220   HD13  ILE  27          HD13      ILE  27 -11.584  -0.437 -17.494
  221    H    PHE  28           HN       PHE  28  -7.809  -4.711 -16.965
  222    HA   PHE  28           HA       PHE  28  -8.505  -6.003 -14.456
  223    HB2  PHE  28           HB2      PHE  28  -5.823  -5.406 -15.737
  224    HB3  PHE  28           HB1      PHE  28  -6.047  -6.324 -14.256
  225    HD1  PHE  28           HD1      PHE  28  -6.148  -8.623 -14.379
  226    HD2  PHE  28           HD2      PHE  28  -7.063  -6.341 -17.850
  227    HE1  PHE  28           HE1      PHE  28  -6.307 -10.693 -15.698
  228    HE2  PHE  28           HE2      PHE  28  -7.231  -8.408 -19.172
  229    HZ   PHE  28           HZ       PHE  28  -6.854 -10.588 -18.097
  230    H    SER  29           HN       SER  29  -8.760  -4.783 -12.660
  231    HA   SER  29           HA       SER  29  -8.215  -1.997 -12.656
  232    HB2  SER  29           HB2      SER  29  -8.768  -2.297 -10.137
  233    HB3  SER  29           HB1      SER  29 -10.029  -2.639 -11.319
  234    HG   SER  29           HG       SER  29  -8.481  -4.432  -9.786
  235    H    LEU  30           HN       LEU  30  -6.372  -0.966 -12.211
  236    HA   LEU  30           HA       LEU  30  -4.038  -2.516 -11.568
  237    HB2  LEU  30           HB2      LEU  30  -3.916  -0.728 -13.208
  238    HB3  LEU  30           HB1      LEU  30  -4.413   0.447 -12.010
  239    HG   LEU  30           HG       LEU  30  -2.305   0.107 -10.789
  240   HD11  LEU  30          HD11      LEU  30  -0.512  -1.216 -11.764
  241   HD12  LEU  30          HD12      LEU  30  -1.586  -1.741 -13.060
  242   HD13  LEU  30          HD13      LEU  30  -1.912  -2.230 -11.398
  243   HD21  LEU  30          HD21      LEU  30  -0.819   1.130 -12.446
  244   HD22  LEU  30          HD22      LEU  30  -2.433   1.841 -12.493
  245   HD23  LEU  30          HD23      LEU  30  -1.943   0.680 -13.729
  246    H    CYS  31           HN       CYS  31  -3.990  -3.217  -9.545
  247    HA   CYS  31           HA       CYS  31  -4.332  -1.264  -7.370
  248    HB2  CYS  31           HB2      CYS  31  -4.907  -4.239  -7.293
  249    HB3  CYS  31           HB1      CYS  31  -5.185  -3.088  -5.987
  250    H    CYS  32           HN       CYS  32  -3.113  -2.118  -5.293
  251    HA   CYS  32           HA       CYS  32  -0.579  -3.331  -5.980
  252    HB2  CYS  32           HB2      CYS  32  -0.421  -0.972  -6.749
  253    HB3  CYS  32           HB1      CYS  32  -0.724  -0.443  -5.100
  254    H    ARG  33           HN       ARG  33  -0.056  -4.577  -4.314
  255    HA   ARG  33           HA       ARG  33  -1.145  -4.201  -1.681
  256    HB2  ARG  33           HB2      ARG  33   0.803  -6.171  -2.859
  257    HB3  ARG  33           HB1      ARG  33   0.544  -6.093  -1.124
  258    HG2  ARG  33           HG2      ARG  33  -0.846  -7.806  -1.874
  259    HG3  ARG  33           HG1      ARG  33  -1.922  -6.430  -1.634
  260    HD2  ARG  33           HD2      ARG  33  -2.507  -7.476  -3.691
  261    HD3  ARG  33           HD1      ARG  33  -1.724  -5.944  -4.065
  262    HE   ARG  33           HE       ARG  33   0.078  -8.180  -4.062
  263   HH11  ARG  33          HH11      ARG  33  -2.244  -6.367  -5.975
  264   HH12  ARG  33          HH12      ARG  33  -1.561  -6.880  -7.491
  265   HH21  ARG  33          HH21      ARG  33   0.958  -8.864  -6.028
  266   HH22  ARG  33          HH22      ARG  33   0.274  -8.307  -7.523
  Start of MODEL   10
    1    H1   ARG   1           HT1      ARG   1   2.140   0.517  -0.994
    2    H2   ARG   1           HT2      ARG   1   1.676   2.031  -1.611
    3    H3   ARG   1           HT3      ARG   1   3.248   1.797  -1.018
    4    HA   ARG   1           HA       ARG   1   2.127   0.310  -3.300
    5    HB2  ARG   1           HB2      ARG   1   3.503   1.788  -4.753
    6    HB3  ARG   1           HB1      ARG   1   2.173   2.619  -3.968
    7    HG2  ARG   1           HG2      ARG   1   3.862   4.141  -3.732
    8    HG3  ARG   1           HG1      ARG   1   3.981   3.264  -2.207
    9    HD2  ARG   1           HD2      ARG   1   5.781   1.883  -3.171
   10    HD3  ARG   1           HD1      ARG   1   5.681   2.822  -4.661
   11    HE   ARG   1           HE       ARG   1   6.109   4.754  -2.894
   12   HH11  ARG   1          HH11      ARG   1   7.727   1.664  -3.340
   13   HH12  ARG   1          HH12      ARG   1   9.207   2.208  -2.614
   14   HH21  ARG   1          HH21      ARG   1   8.064   5.454  -1.974
   15   HH22  ARG   1          HH22      ARG   1   9.413   4.360  -1.856
   16    H    ARG   2           HN       ARG   2   3.446  -1.181  -4.145
   17    HA   ARG   2           HA       ARG   2   6.237  -1.323  -3.737
   18    HB2  ARG   2           HB2      ARG   2   5.543  -1.929  -1.439
   19    HB3  ARG   2           HB1      ARG   2   4.571  -3.242  -2.089
   20    HG2  ARG   2           HG2      ARG   2   6.628  -4.132  -1.248
   21    HG3  ARG   2           HG1      ARG   2   6.630  -4.254  -3.010
   22    HD2  ARG   2           HD2      ARG   2   8.787  -3.482  -2.264
   23    HD3  ARG   2           HD1      ARG   2   7.960  -2.174  -3.112
   24    HE   ARG   2           HE       ARG   2   7.511  -2.095  -0.294
   25   HH11  ARG   2          HH11      ARG   2   9.811  -1.253  -2.797
   26   HH12  ARG   2          HH12      ARG   2  10.550   0.015  -1.862
   27   HH21  ARG   2          HH21      ARG   2   8.472  -0.433   0.925
   28   HH22  ARG   2          HH22      ARG   2   9.782   0.486   0.250
   29    H    THR   3           HN       THR   3   3.356  -3.397  -4.018
   30    HA   THR   3           HA       THR   3   4.587  -4.574  -6.426
   31    HB   THR   3           HB       THR   3   2.676  -5.984  -4.549
   32    HG1  THR   3           HG1      THR   3   5.517  -5.945  -4.684
   33   HG21  THR   3          HG21      THR   3   3.357  -7.988  -5.788
   34   HG22  THR   3          HG22      THR   3   4.377  -6.995  -6.828
   35   HG23  THR   3          HG23      THR   3   2.626  -6.793  -6.858
   36    H    CYS   4           HN       CYS   4   3.588  -3.498  -8.034
   37    HA   CYS   4           HA       CYS   4   0.674  -3.087  -7.791
   38    HB2  CYS   4           HB2      CYS   4   2.406  -1.554  -9.701
   39    HB3  CYS   4           HB1      CYS   4   0.884  -1.080  -8.961
   40    H    ARG   5           HN       ARG   5  -0.624  -3.962  -9.306
   41    HA   ARG   5           HA       ARG   5   0.071  -4.142 -12.027
   42    HB2  ARG   5           HB2      ARG   5   0.062  -6.533 -12.403
   43    HB3  ARG   5           HB1      ARG   5   1.368  -6.118 -11.304
   44    HG2  ARG   5           HG2      ARG   5   0.406  -7.200  -9.536
   45    HG3  ARG   5           HG1      ARG   5  -1.235  -6.967 -10.143
   46    HD2  ARG   5           HD2      ARG   5   0.800  -8.817 -11.382
   47    HD3  ARG   5           HD1      ARG   5  -0.462  -9.328 -10.260
   48    HE   ARG   5           HE       ARG   5  -2.008  -8.268 -12.032
   49   HH11  ARG   5          HH11      ARG   5   0.940 -10.033 -12.746
   50   HH12  ARG   5          HH12      ARG   5   0.413 -10.505 -14.334
   51   HH21  ARG   5          HH21      ARG   5  -2.692  -8.889 -14.089
   52   HH22  ARG   5          HH22      ARG   5  -1.666  -9.871 -15.096
   53    H    CYS   6           HN       CYS   6  -1.699  -4.868 -13.354
   54    HA   CYS   6           HA       CYS   6  -4.274  -4.480 -12.183
   55    HB2  CYS   6           HB2      CYS   6  -4.138  -5.628 -14.871
   56    HB3  CYS   6           HB1      CYS   6  -4.818  -4.088 -14.337
   57    H    ARG   7           HN       ARG   7  -5.620  -6.032 -11.378
   58    HA   ARG   7           HA       ARG   7  -4.783  -8.830 -11.756
   59    HB2  ARG   7           HB2      ARG   7  -6.415  -7.729  -9.470
   60    HB3  ARG   7           HB1      ARG   7  -5.674  -9.318  -9.579
   61    HG2  ARG   7           HG2      ARG   7  -3.452  -8.263  -9.516
   62    HG3  ARG   7           HG1      ARG   7  -4.230  -6.688  -9.339
   63    HD2  ARG   7           HD2      ARG   7  -3.542  -7.517  -7.167
   64    HD3  ARG   7           HD1      ARG   7  -5.303  -7.473  -7.268
   65    HE   ARG   7           HE       ARG   7  -4.582 -10.016  -8.046
   66   HH11  ARG   7          HH11      ARG   7  -4.318  -8.047  -5.148
   67   HH12  ARG   7          HH12      ARG   7  -4.173  -9.422  -4.094
   68   HH21  ARG   7          HH21      ARG   7  -4.410 -11.795  -6.672
   69   HH22  ARG   7          HH22      ARG   7  -4.227 -11.560  -4.961
   70    H    PHE   8           HN       PHE   8  -6.265 -10.414 -12.237
   71    HA   PHE   8           HA       PHE   8  -8.723  -9.483 -13.436
   72    HB2  PHE   8           HB2      PHE   8  -7.309 -11.279 -14.474
   73    HB3  PHE   8           HB1      PHE   8  -7.769 -12.341 -13.146
   74    HD1  PHE   8           HD1      PHE   8  -9.102 -10.374 -15.980
   75    HD2  PHE   8           HD2      PHE   8  -9.800 -13.515 -13.197
   76    HE1  PHE   8           HE1      PHE   8 -11.127 -11.017 -17.222
   77    HE2  PHE   8           HE2      PHE   8 -11.822 -14.166 -14.434
   78    HZ   PHE   8           HZ       PHE   8 -12.488 -12.918 -16.448
   79    H    GLY   9           HN       GLY   9 -10.207  -8.895 -11.978
   80    HA2  GLY   9           HA2      GLY   9 -12.091 -10.178 -10.817
   81    HA3  GLY   9           HA1      GLY   9 -10.800 -10.742  -9.761
   82    H    ARG  10           HN       ARG  10 -11.383  -9.779  -7.869
   83    HA   ARG  10           HA       ARG  10 -11.492  -6.836  -7.913
   84    HB2  ARG  10           HB2      ARG  10 -12.803  -6.886  -5.899
   85    HB3  ARG  10           HB1      ARG  10 -13.558  -7.947  -7.076
   86    HG2  ARG  10           HG2      ARG  10 -13.668  -9.419  -5.406
   87    HG3  ARG  10           HG1      ARG  10 -11.946  -9.673  -5.694
   88    HD2  ARG  10           HD2      ARG  10 -11.399  -7.996  -4.017
   89    HD3  ARG  10           HD1      ARG  10 -13.114  -7.681  -3.756
   90    HE   ARG  10           HE       ARG  10 -12.024 -10.364  -3.255
   91   HH11  ARG  10          HH11      ARG  10 -13.615  -7.458  -2.114
   92   HH12  ARG  10          HH12      ARG  10 -13.927  -8.097  -0.527
   93   HH21  ARG  10          HH21      ARG  10 -12.437 -11.206  -1.159
   94   HH22  ARG  10          HH22      ARG  10 -13.252 -10.209   0.014
   95    H    CYS  11           HN       CYS  11 -10.381  -5.716  -6.197
   96    HA   CYS  11           HA       CYS  11  -7.967  -7.164  -5.391
   97    HB2  CYS  11           HB2      CYS  11  -8.558  -4.195  -5.397
   98    HB3  CYS  11           HB1      CYS  11  -7.019  -4.926  -4.952
   99    H    PHE  12           HN       PHE  12  -7.050  -6.645  -3.235
  100    HA   PHE  12           HA       PHE  12  -9.135  -6.955  -1.245
  101    HB2  PHE  12           HB2      PHE  12  -6.119  -7.040  -1.043
  102    HB3  PHE  12           HB1      PHE  12  -7.205  -7.306   0.317
  103    HD1  PHE  12           HD1      PHE  12  -5.973  -8.667  -2.860
  104    HD2  PHE  12           HD2      PHE  12  -8.411  -9.359   0.558
  105    HE1  PHE  12           HE1      PHE  12  -6.117 -11.052  -3.451
  106    HE2  PHE  12           HE2      PHE  12  -8.561 -11.743  -0.027
  107    HZ   PHE  12           HZ       PHE  12  -7.415 -12.593  -2.032
  108    H    ARG  13           HN       ARG  13  -8.900  -5.737   0.856
  109    HA   ARG  13           HA       ARG  13  -9.172  -2.963   0.315
  110    HB2  ARG  13           HB2      ARG  13  -9.186  -4.619   2.809
  111    HB3  ARG  13           HB1      ARG  13  -9.110  -2.871   2.936
  112    HG2  ARG  13           HG2      ARG  13 -11.382  -3.604   3.165
  113    HG3  ARG  13           HG1      ARG  13 -11.205  -2.713   1.653
  114    HD2  ARG  13           HD2      ARG  13 -11.231  -4.724   0.377
  115    HD3  ARG  13           HD1      ARG  13 -11.106  -5.717   1.831
  116    HE   ARG  13           HE       ARG  13 -13.364  -4.774   2.412
  117   HH11  ARG  13          HH11      ARG  13 -12.303  -5.109  -0.910
  118   HH12  ARG  13          HH12      ARG  13 -13.917  -5.224  -1.547
  119   HH21  ARG  13          HH21      ARG  13 -15.478  -4.946   1.581
  120   HH22  ARG  13          HH22      ARG  13 -15.724  -5.104  -0.131
  121    H    ARG  14           HN       ARG  14  -6.528  -4.937   1.403
  122    HA   ARG  14           HA       ARG  14  -5.034  -2.806   2.561
  123    HB2  ARG  14           HB2      ARG  14  -3.138  -4.526   2.450
  124    HB3  ARG  14           HB1      ARG  14  -4.528  -4.875   3.464
  125    HG2  ARG  14           HG2      ARG  14  -4.039  -6.884   2.384
  126    HG3  ARG  14           HG1      ARG  14  -5.427  -6.228   1.521
  127    HD2  ARG  14           HD2      ARG  14  -4.290  -6.077  -0.398
  128    HD3  ARG  14           HD1      ARG  14  -2.880  -5.371   0.393
  129    HE   ARG  14           HE       ARG  14  -2.660  -7.917   1.149
  130   HH11  ARG  14          HH11      ARG  14  -3.483  -6.665  -2.025
  131   HH12  ARG  14          HH12      ARG  14  -2.609  -7.900  -2.870
  132   HH21  ARG  14          HH21      ARG  14  -1.549  -9.536   0.053
  133   HH22  ARG  14          HH22      ARG  14  -1.491  -9.547  -1.685
  134    H    GLU  15           HN       GLU  15  -5.752  -3.198  -0.580
  135    HA   GLU  15           HA       GLU  15  -3.271  -1.837  -1.361
  136    HB2  GLU  15           HB2      GLU  15  -3.334  -2.957  -3.553
  137    HB3  GLU  15           HB1      GLU  15  -3.111  -4.094  -2.234
  138    HG2  GLU  15           HG2      GLU  15  -5.616  -4.492  -2.358
  139    HG3  GLU  15           HG1      GLU  15  -5.562  -3.628  -3.895
  140    H    SER  16           HN       SER  16  -3.507  -0.127  -2.756
  141    HA   SER  16           HA       SER  16  -6.166   1.007  -2.750
  142    HB2  SER  16           HB2      SER  16  -4.187   2.382  -2.158
  143    HB3  SER  16           HB1      SER  16  -3.579   2.181  -3.801
  144    HG   SER  16           HG       SER  16  -6.150   3.249  -3.278
  145    H    TYR  17           HN       TYR  17  -7.385   1.517  -4.513
  146    HA   TYR  17           HA       TYR  17  -6.892  -0.047  -6.896
  147    HB2  TYR  17           HB2      TYR  17  -9.144   0.212  -5.771
  148    HB3  TYR  17           HB1      TYR  17  -9.152   1.880  -6.322
  149    HD1  TYR  17           HD1      TYR  17  -9.903   2.423  -8.490
  150    HD2  TYR  17           HD2      TYR  17  -9.077  -1.633  -7.500
  151    HE1  TYR  17           HE1      TYR  17 -10.959   1.701 -10.593
  152    HE2  TYR  17           HE2      TYR  17 -10.125  -2.366  -9.598
  153    HH   TYR  17           HH       TYR  17 -11.049  -0.144 -12.088
  154    H    SER  18           HN       SER  18  -5.461   0.772  -8.296
  155    HA   SER  18           HA       SER  18  -5.096   3.627  -8.574
  156    HB2  SER  18           HB2      SER  18  -3.810   1.380 -10.145
  157    HB3  SER  18           HB1      SER  18  -3.264   3.056 -10.061
  158    HG   SER  18           HG       SER  18  -3.553   1.915  -7.601
  159    H    GLY  19           HN       GLY  19  -6.221   0.940 -10.592
  160    HA2  GLY  19           HA2      GLY  19  -8.146   2.445 -11.972
  161    HA3  GLY  19           HA1      GLY  19  -6.677   2.417 -12.938
  162    H    SER  20           HN       SER  20  -7.344   1.120 -14.587
  163    HA   SER  20           HA       SER  20  -7.623  -1.696 -13.941
  164    HB2  SER  20           HB2      SER  20  -9.650  -1.780 -15.541
  165    HB3  SER  20           HB1      SER  20  -9.917  -1.208 -13.893
  166    HG   SER  20           HG       SER  20  -9.210   0.860 -15.457
  167    H    CYS  21           HN       CYS  21  -6.646  -2.940 -15.394
  168    HA   CYS  21           HA       CYS  21  -5.686  -1.710 -17.862
  169    HB2  CYS  21           HB2      CYS  21  -4.888  -4.268 -16.495
  170    HB3  CYS  21           HB1      CYS  21  -4.207  -3.686 -18.013
  171    H    ASN  22           HN       ASN  22  -6.689  -2.165 -19.749
  172    HA   ASN  22           HA       ASN  22  -8.526  -4.448 -19.784
  173    HB2  ASN  22           HB2      ASN  22  -9.282  -2.113 -20.485
  174    HB3  ASN  22           HB1      ASN  22  -8.275  -2.324 -21.915
  175   HD21  ASN  22          HD21      ASN  22 -10.075  -4.896 -20.355
  176   HD22  ASN  22          HD22      ASN  22 -11.219  -5.132 -21.635
  177    H    ILE  23           HN       ILE  23  -6.987  -6.071 -19.991
  178    HA   ILE  23           HA       ILE  23  -5.223  -5.972 -22.335
  179    HB   ILE  23           HB       ILE  23  -5.175  -7.880 -19.988
  180   HG12  ILE  23          HG12      ILE  23  -3.370  -5.529 -20.595
  181   HG13  ILE  23          HG11      ILE  23  -4.630  -5.544 -19.367
  182   HG21  ILE  23          HG21      ILE  23  -4.230  -8.850 -22.015
  183   HG22  ILE  23          HG22      ILE  23  -2.973  -8.528 -20.821
  184   HG23  ILE  23          HG23      ILE  23  -3.175  -7.450 -22.201
  185   HD11  ILE  23          HD11      ILE  23  -2.415  -5.880 -18.405
  186   HD12  ILE  23          HD12      ILE  23  -2.198  -7.317 -19.403
  187   HD13  ILE  23          HD13      ILE  23  -3.443  -7.291 -18.156
  188    H    ASN  24           HN       ASN  24  -5.880  -6.976 -24.108
  189    HA   ASN  24           HA       ASN  24  -6.620  -8.607 -25.510
  190    HB2  ASN  24           HB2      ASN  24  -6.333 -10.210 -22.977
  191    HB3  ASN  24           HB1      ASN  24  -6.950 -10.943 -24.454
  192   HD21  ASN  24          HD21      ASN  24  -5.137 -12.336 -24.367
  193   HD22  ASN  24          HD22      ASN  24  -3.588 -11.800 -24.944
  194    H    GLY  25           HN       GLY  25  -8.456  -6.908 -23.854
  195    HA2  GLY  25           HA2      GLY  25 -10.752  -6.571 -24.082
  196    HA3  GLY  25           HA1      GLY  25 -10.906  -8.219 -24.680
  197    H    ARG  26           HN       ARG  26  -9.104  -7.835 -21.803
  198    HA   ARG  26           HA       ARG  26 -11.437  -8.631 -20.183
  199    HB2  ARG  26           HB2      ARG  26  -8.572  -9.538 -19.817
  200    HB3  ARG  26           HB1      ARG  26  -9.957 -10.046 -18.859
  201    HG2  ARG  26           HG2      ARG  26 -10.931 -11.117 -20.821
  202    HG3  ARG  26           HG1      ARG  26  -9.552 -10.596 -21.790
  203    HD2  ARG  26           HD2      ARG  26  -8.057 -11.926 -20.403
  204    HD3  ARG  26           HD1      ARG  26  -9.413 -12.409 -19.385
  205    HE   ARG  26           HE       ARG  26  -9.253 -13.113 -22.249
  206   HH11  ARG  26          HH11      ARG  26  -9.797 -13.976 -18.903
  207   HH12  ARG  26          HH12      ARG  26 -10.300 -15.597 -19.264
  208   HH21  ARG  26          HH21      ARG  26  -9.909 -15.238 -22.733
  209   HH22  ARG  26          HH22      ARG  26 -10.376 -16.310 -21.453
  210    H    ILE  27           HN       ILE  27 -11.455  -7.831 -18.003
  211    HA   ILE  27           HA       ILE  27  -9.826  -5.411 -17.752
  212    HB   ILE  27           HB       ILE  27 -12.229  -5.035 -17.680
  213   HG12  ILE  27          HG12      ILE  27 -10.838  -4.576 -15.035
  214   HG13  ILE  27          HG11      ILE  27 -10.769  -3.531 -16.447
  215   HG21  ILE  27          HG21      ILE  27 -12.227  -6.785 -15.229
  216   HG22  ILE  27          HG22      ILE  27 -12.981  -7.151 -16.780
  217   HG23  ILE  27          HG23      ILE  27 -13.588  -5.817 -15.798
  218   HD11  ILE  27          HD11      ILE  27 -13.173  -3.092 -16.220
  219   HD12  ILE  27          HD12      ILE  27 -12.265  -2.616 -14.785
  220   HD13  ILE  27          HD13      ILE  27 -13.208  -4.106 -14.782
  221    H    PHE  28           HN       PHE  28  -8.085  -5.579 -16.596
  222    HA   PHE  28           HA       PHE  28  -8.108  -7.203 -14.152
  223    HB2  PHE  28           HB2      PHE  28  -5.757  -6.100 -15.714
  224    HB3  PHE  28           HB1      PHE  28  -5.657  -7.145 -14.306
  225    HD1  PHE  28           HD1      PHE  28  -5.824  -9.488 -14.503
  226    HD2  PHE  28           HD2      PHE  28  -6.655  -7.005 -17.855
  227    HE1  PHE  28           HE1      PHE  28  -5.800 -11.464 -15.967
  228    HE2  PHE  28           HE2      PHE  28  -6.637  -8.979 -19.326
  229    HZ   PHE  28           HZ       PHE  28  -6.207 -11.214 -18.380
  230    H    SER  29           HN       SER  29  -8.397  -6.030 -12.334
  231    HA   SER  29           HA       SER  29  -8.392  -3.186 -12.401
  232    HB2  SER  29           HB2      SER  29  -8.717  -3.487  -9.870
  233    HB3  SER  29           HB1      SER  29  -9.951  -4.170 -10.927
  234    HG   SER  29           HG       SER  29  -8.052  -5.440  -9.331
  235    H    LEU  30           HN       LEU  30  -6.677  -1.910 -12.293
  236    HA   LEU  30           HA       LEU  30  -4.085  -2.913 -11.598
  237    HB2  LEU  30           HB2      LEU  30  -4.347  -1.258 -13.356
  238    HB3  LEU  30           HB1      LEU  30  -5.049  -0.121 -12.222
  239    HG   LEU  30           HG       LEU  30  -2.887  -0.017 -11.019
  240   HD11  LEU  30          HD11      LEU  30  -1.891  -1.728 -13.292
  241   HD12  LEU  30          HD12      LEU  30  -2.034  -2.222 -11.605
  242   HD13  LEU  30          HD13      LEU  30  -0.892  -0.958 -12.060
  243   HD21  LEU  30          HD21      LEU  30  -3.402   1.648 -12.701
  244   HD22  LEU  30          HD22      LEU  30  -2.779   0.593 -13.971
  245   HD23  LEU  30          HD23      LEU  30  -1.683   1.250 -12.752
  246    H    CYS  31           HN       CYS  31  -3.606  -3.305  -9.560
  247    HA   CYS  31           HA       CYS  31  -4.234  -1.258  -7.554
  248    HB2  CYS  31           HB2      CYS  31  -4.567  -4.247  -7.186
  249    HB3  CYS  31           HB1      CYS  31  -4.803  -3.026  -5.938
  250    H    CYS  32           HN       CYS  32  -2.861  -1.465  -5.588
  251    HA   CYS  32           HA       CYS  32  -0.409  -2.934  -5.839
  252    HB2  CYS  32           HB2      CYS  32  -0.041  -0.963  -7.313
  253    HB3  CYS  32           HB1      CYS  32  -0.363   0.093  -5.942
  254    H    ARG  33           HN       ARG  33   0.628  -3.123  -3.876
  255    HA   ARG  33           HA       ARG  33  -0.476  -1.556  -1.658
  256    HB2  ARG  33           HB2      ARG  33  -0.643  -3.419  -0.229
  257    HB3  ARG  33           HB1      ARG  33  -1.353  -3.951  -1.740
  258    HG2  ARG  33           HG2      ARG  33   1.412  -4.627  -0.749
  259    HG3  ARG  33           HG1      ARG  33   0.007  -5.687  -0.705
  260    HD2  ARG  33           HD2      ARG  33   1.384  -4.618  -3.165
  261    HD3  ARG  33           HD1      ARG  33   1.455  -6.270  -2.560
  262    HE   ARG  33           HE       ARG  33  -1.114  -5.106  -3.402
  263   HH11  ARG  33          HH11      ARG  33   1.331  -7.593  -3.621
  264   HH12  ARG  33          HH12      ARG  33   0.487  -8.506  -4.843
  265   HH21  ARG  33          HH21      ARG  33  -2.261  -6.303  -4.989
  266   HH22  ARG  33          HH22      ARG  33  -1.543  -7.763  -5.640