*HEADER    PLANT PROTEIN                           06-AUG-12   2LWT              
*TITLE     NMR SOLUTION STRUCTURE OF PAWS DERIVED PEPTIDE 5 (PDP-5)              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PAWS DERIVED PEPTIDE 5 (PDP-5);                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    PLANT PEPTIDE, PAWS DERIVED, CYCLIC PEPTIDE, PLANT PROTEIN            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.G.ELLIOTT, J.S.MYLNE, K.ROSENGREN                                   
*REVDAT   1   21-AUG-13 2LWT    0                                                


#H Proton - H Proton
 15 CYSS H      15 CYSS HB3     3.52            #peak 4
 15 CYSS HA     16 TYR  H       2.59            #peak 5
 16 TYR  H      16 TYR  HB2     3.95            #peak 7
 16 TYR  H      16 TYR  HB3     3.48            #peak 8
 16 TYR  HA     17 MET  H       2.49            #peak 9
 17 MET  HA     18 ASP  H       2.93            #peak 13
 18 ASP  H      18 ASP  HA      2.71            #peak 14
 18 ASP  H      18 ASP  HB3     2.80            #peak 15
 18 ASP  H      18 ASP  HB2     3.08            #peak 16
 11 PHE  HA     12 ARG  H       3.36            #peak 21
 12 ARG  HA     13 ALA  H       2.62            #peak 24
  1 GLY  H       1 GLY  HA2     2.77            #peak 25
  1 GLY  H       1 GLY  HA3     2.77            #peak 26
  8 PRO  HA      9 GLY  H       2.56            #peak 30
 11 PHE  HB2    12 ARG  H       3.58            #peak 31
 11 PHE  HB3    12 ARG  H       3.79            #peak 32
 12 ARG  H      12 ARG  HB2     3.83            #peak 33
 12 ARG  H      12 ARG  HB3     3.76            #peak 34
 12 ARG  HB2    13 ALA  H       3.58            #peak 39
 12 ARG  H      13 ALA  H       4.82            #peak 42
 12 ARG  HB3    13 ALA  H       3.45            #peak 43
  8 PRO  HB2     9 GLY  H       4.20            #peak 44
  8 PRO  HB3     9 GLY  H       4.20            #peak 45
  6 CYSS H       6 CYSS HB2     2.93            #peak 61
  6 CYSS H       6 CYSS HB3     3.76            #peak 62
  3 TYR  H       3 TYR  HB2     3.55            #peak 64
  3 TYR  H       3 TYR  HB3     2.90            #peak 65
  3 TYR  HA      4 ARG  H       3.05            #peak 66
  4 ARG  HA      5 ARG  H       2.40            #peak 68
  5 ARG  HA      6 CYSS H       2.40            #peak 70
  6 CYSS HA      7 ILE  H       2.90            #peak 71
  9 GLY  HA2    10 MET  H       3.27            #peak 75
  9 GLY  HA3    10 MET  H       3.27            #peak 77
 15 CYSS HB3    16 TYR  H       3.24            #peak 78
 15 CYSS HB2    16 TYR  H       3.64            #peak 79
 10 MET  H      11 PHE  H       4.29            #peak 80
  9 GLY  H      10 MET  H       4.85            #peak 81
 17 MET  H      18 ASP  H       4.01            #peak 83
  5 ARG  H      16 TYR  H       3.11            #peak 84
  5 ARG  H       5 ARG  HB2     2.99            #peak 89
  4 ARG  H       4 ARG  HB3     2.74            #peak 91
  4 ARG  HB3     5 ARG  H       4.14            #peak 92
  4 ARG  H       4 ARG  HB2     2.90            #peak 93
 10 MET  H      10 MET  HB3     3.33            #peak 98
 10 MET  H      10 MET  HB2     3.45            #peak 99
 10 MET  HB3    11 PHE  H       4.48            #peak 102
  7 ILE  H       7 ILE  HB      3.67            #peak 103
  7 ILE  HA      7 ILE  HB      2.99            #peak 120
  4 ARG  HA     18 ASP  H       3.36            #peak 123
  5 ARG  H      17 MET  HA      3.48            #peak 124
 14 TYR  HA     15 CYSS H       2.40            #peak 125
  9 GLY  H      13 ALA  HA      3.02            #peak 126
 17 MET  QB     18 ASP  H       4.40            #peak 129
  5 ARG  HB2     6 CYSS H       3.52            #peak 134
 10 MET  HB2    11 PHE  H       3.86            #peak 137
  1 GLY  H      18 ASP  HA      2.49            #peak 139
  6 CYSS HA     15 CYSS HA      2.62            #peak 145
 16 TYR  HB3    17 MET  H       3.58            #peak 150
  6 CYSS HA     16 TYR  H       3.58            #peak 151
  3 TYR  H      18 ASP  H       3.76            #peak 155
 16 TYR  H      17 MET  H       4.26            #peak 157
 10 MET  HA     10 MET  HB3     2.80            #peak 191
  3 TYR  HB3     4 ARG  H       3.92            #peak 216
  2 ARG  HA      2 ARG  HB2     2.83            #peak 222
  2 ARG  HA      2 ARG  HB3     2.74            #peak 223
 13 ALA  HA     14 TYR  H       2.40            #peak 236
 15 CYSS H      16 TYR  H       4.76            #peak 262
  9 GLY  H      11 PHE  H       5.50            #peak 265
 11 PHE  H      12 ARG  H       3.30            #peak 275
 14 TYR  QB     15 CYSS H       4.55            #peak 390
  5 ARG  H      18 ASP  H       3.55            #peak 486
 11 PHE  H      11 PHE  HB3     4.14            #peak 490
  3 TYR  HA      3 TYR  HB2     2.87            #peak 541
 12 ARG  HA     12 ARG  HB2     2.74            #peak 543
 10 MET  HA     11 PHE  H       3.48            #peak 556
  5 ARG  HA      6 CYSS HB2     4.35            #peak 581
 16 TYR  HA     16 TYR  HB3     2.68            #peak 583
  3 TYR  HA      3 TYR  HB3     2.93            #peak 584
 11 PHE  HA     11 PHE  HB3     2.90            #peak 589
  5 ARG  HA      5 ARG  HB3     2.96            #peak 600
 17 MET  H      17 MET  QB      3.68            #peak 620
 16 TYR  HB2    17 MET  H       2.93            #peak 621
  6 CYSS HB3     7 ILE  H       5.04            #peak 656
 11 PHE  H      11 PHE  HB2     3.30            #peak 659
  1 GLY  HA2     2 ARG  H       3.27            #peak 670
  5 ARG  H       5 ARG  HB3     4.20            #peak 682
  5 ARG  HB3     6 CYSS H       3.27            #peak 683
  3 TYR  HB2     4 ARG  H       3.79            #peak 684
 15 CYSS H      15 CYSS HB2     3.14            #peak 714
  7 ILE  H      15 CYSS HA      5.31            #peak 715
  1 GLY  H      18 ASP  H       4.01            #peak 716
  3 TYR  H       4 ARG  H       4.11            #peak 720
  4 ARG  H       5 ARG  H       4.38            #peak 721
  5 ARG  H       6 CYSS H       4.69            #peak 723
  1 GLY  HA3     2 ARG  H       3.27            #peak 725
  2 ARG  H       3 TYR  H       3.58            #peak 726
  7 ILE  H      14 TYR  H       3.86            #peak 728
 14 TYR  H      15 CYSS H       4.11            #peak 732
  2 ARG  H       2 ARG  HB2     3.48            #peak 735
 16 TYR  HA     16 TYR  HB2     2.59            #peak 737
  9 GLY  H      13 ALA  H       5.50            #peak 738
 12 ARG  H      12 ARG  HG2     4.66            #peak 35
 12 ARG  H      12 ARG  HG3     4.66            #peak 36
 12 ARG  HG3    13 ALA  H       5.50            #peak 37
 12 ARG  HG2    13 ALA  H       5.50            #peak 38
  7 ILE  HA      8 PRO  HD2     2.90            #peak 73
  7 ILE  HA      8 PRO  HD3     2.90            #peak 74
  4 ARG  QG      5 ARG  H       5.08            #peak 90
  4 ARG  H       4 ARG  QG      5.89            #peak 94
  4 ARG  H       4 ARG  QD      6.38            #peak 95
  7 ILE  HB     14 TYR  H       5.50            #peak 100
  6 CYSS HB2    15 CYSS HA      5.50            #peak 148
  6 CYSS HA     15 CYSS HB2     5.50            #peak 149
 11 PHE  HA     11 PHE  QD      5.77            #peak 161
 11 PHE  QD     12 ARG  H       7.63            #peak 170
 11 PHE  QE     12 ARG  H       7.63            #peak 171
  3 TYR  HA      3 TYR  QD      6.05            #peak 173
 16 TYR  HA     16 TYR  QD      6.39            #peak 182
 12 ARG  HA     12 ARG  QD      6.26            #peak 197
  2 ARG  HA      2 ARG  QD      5.08            #peak 225
  2 ARG  HA      2 ARG  HG2     3.76            #peak 226
 14 TYR  HA     14 TYR  QD      5.86            #peak 241
  5 ARG  HB3    18 ASP  H       5.50            #peak 249
  4 ARG  QG     16 TYR  H       6.38            #peak 252
  5 ARG  H      16 TYR  QD      7.63            #peak 258
 14 TYR  QD     15 CYSS H       7.57            #peak 271
  3 TYR  QD      4 ARG  H       7.54            #peak 279
  3 TYR  H       3 TYR  QD      6.88            #peak 280
 14 TYR  H      14 TYR  QD      7.50            #peak 281
 16 TYR  QD     17 MET  H       6.79            #peak 283
 16 TYR  H      16 TYR  QD      6.11            #peak 284
 16 TYR  H      16 TYR  QE      7.63            #peak 285
 16 TYR  QE     17 MET  H       7.63            #peak 286
 11 PHE  H      14 TYR  QE      7.63            #peak 287
 14 TYR  QE     16 TYR  QD      9.11            #peak 290
 16 TYR  QE     18 ASP  HB2     5.99            #peak 294
 16 TYR  QD     18 ASP  HB2     6.92            #peak 295
 16 TYR  QD     17 MET  QB      8.51            #peak 296
  7 ILE  HG12   14 TYR  QE      7.63            #peak 298
  7 ILE  HG13   14 TYR  QE      7.63            #peak 299
 14 TYR  QE     16 TYR  HB3     6.98            #peak 301
  7 ILE  HB     14 TYR  QE      7.63            #peak 302
  7 ILE  HB     16 TYR  QE      7.63            #peak 303
  7 ILE  HB     14 TYR  QD      7.63            #peak 304
 14 TYR  QD     16 TYR  HB3     7.63            #peak 305
  3 TYR  QE      5 ARG  HB3     7.01            #peak 317
  3 TYR  QE      5 ARG  HB2     7.08            #peak 321
  5 ARG  HB2    16 TYR  QE      7.20            #peak 323
  4 ARG  QG     17 MET  H       6.38            #peak 335
  3 TYR  QD      5 ARG  HB2     7.63            #peak 340
  3 TYR  QD      5 ARG  HG3     7.63            #peak 342
 10 MET  HG2    11 PHE  QD      7.63            #peak 355
 10 MET  HG3    11 PHE  QD      7.63            #peak 358
 10 MET  HB3    11 PHE  QE      7.63            #peak 362
 10 MET  HB3    11 PHE  QD      7.63            #peak 364
 10 MET  HB2    11 PHE  QD      7.63            #peak 365
 10 MET  HB2    11 PHE  HZ      5.50            #peak 366
 10 MET  HB2    11 PHE  QE      7.63            #peak 367
 11 PHE  QD     12 ARG  HG2     7.63            #peak 368
 11 PHE  QD     12 ARG  HG3     7.63            #peak 369
 16 TYR  QE     17 MET  QB      8.51            #peak 372
 14 TYR  QE     17 MET  QB      8.51            #peak 375
  3 TYR  QE      5 ARG  HA      7.63            #peak 402
  2 ARG  HA      3 TYR  QD      7.63            #peak 411
  1 GLY  H      18 ASP  HB2     5.44            #peak 421
  5 ARG  HD2    16 TYR  QE      7.63            #peak 484
 16 TYR  QD     18 ASP  H       7.63            #peak 487
  5 ARG  HG3    18 ASP  HB2     4.26            #peak 501
  5 ARG  HG2    18 ASP  HB2     4.26            #peak 502
  7 ILE  HB     14 TYR  QB      6.38            #peak 511
  2 ARG  HA      2 ARG  HG3     3.76            #peak 617
  5 ARG  HD3    16 TYR  QE      7.63            #peak 630
  5 ARG  HA      5 ARG  HD2     5.50            #peak 632
  5 ARG  HA      5 ARG  HD3     5.50            #peak 633
 15 CYSS HA     16 TYR  QD      7.29            #peak 662
  5 ARG  HB2    16 TYR  H       5.50            #peak 664
  5 ARG  HB2    18 ASP  H       5.50            #peak 665
  1 GLY  H      17 MET  QB      6.38            #peak 666
  7 ILE  HB     16 TYR  QD      7.63            #peak 668
 11 PHE  H      11 PHE  QD      7.63            #peak 671
 16 TYR  QE     18 ASP  HA      6.42            #peak 675
  4 ARG  QG     15 CYSS HB3     5.05            #peak 679
  6 CYSS HA     15 CYSS HB3     5.50            #peak 690
  4 ARG  QG     15 CYSS HB2     6.38            #peak 694
  3 TYR  QD      5 ARG  HG2     7.63            #peak 703
  6 CYSS HA     16 TYR  QD      7.63            #peak 704
 16 TYR  QD     18 ASP  HA      7.63            #peak 705
 16 TYR  QD     17 MET  HA      7.63            #peak 707
 14 TYR  QD     16 TYR  QD      9.20            #peak 708
 14 TYR  QD     16 TYR  QE      9.76            #peak 709
 14 TYR  QE     16 TYR  HB2     7.63            #peak 710
 14 TYR  QD     16 TYR  HB2     7.63            #peak 711
 14 TYR  QE     16 TYR  HA      7.63            #peak 712
 14 TYR  QD     17 MET  QB      8.51            #peak 713
 13 ALA  H      13 ALA  QB      3.95            #peak 2
  7 ILE  H       7 ILE  QG2     6.52            #peak 104
  7 ILE  HA      7 ILE  QG2     3.98            #peak 118
  7 ILE  HA      7 ILE  QD1     5.19            #peak 119
  9 GLY  H      13 ALA  QB      6.52            #peak 130
 17 MET  QE     18 ASP  H       6.52            #peak 215
  7 ILE  QD1    16 TYR  QE      7.63            #peak 308
  7 ILE  QG2    16 TYR  QE      8.34            #peak 309
  7 ILE  QG2    14 TYR  QE      8.65            #peak 312
  7 ILE  QD1    14 TYR  QE      8.65            #peak 313
  7 ILE  QD1    16 TYR  QD      8.65            #peak 314
  7 ILE  QG2    16 TYR  QD      8.65            #peak 315
 13 ALA  QB     14 TYR  QD      8.65            #peak 320
 13 ALA  QB     14 TYR  QE      8.65            #peak 322
  7 ILE  QD1    14 TYR  QD      7.78            #peak 324
  7 ILE  QG2    14 TYR  QD      8.65            #peak 325
 13 ALA  QB     14 TYR  H       4.60            #peak 333
 10 MET  QE     11 PHE  QD      8.65            #peak 359
 10 MET  QE     11 PHE  QE      8.65            #peak 361
  7 ILE  QG2    14 TYR  HA      6.52            #peak 423
  7 ILE  QD1    14 TYR  HA      6.52            #peak 424
  7 ILE  QD1     8 PRO  HA      6.52            #peak 427
  7 ILE  QD1     8 PRO  HD2     6.52            #peak 430
  7 ILE  QD1     8 PRO  HD3     6.52            #peak 431
  7 ILE  QG2    14 TYR  QB      7.40            #peak 432
  7 ILE  QD1    14 TYR  QB      7.40            #peak 433
  6 CYSS HB3    13 ALA  QB      4.44            #peak 441
  6 CYSS HB2    13 ALA  QB      5.09            #peak 442
 13 ALA  QB     14 TYR  QB      7.40            #peak 443
  3 TYR  H      17 MET  QE      6.52            #peak 465
 17 MET  H      17 MET  QE      6.52            #peak 619
 13 ALA  QB     14 TYR  HA      5.90            #peak 646
  4 ARG  H      17 MET  QE      6.30            #peak 681
 17 MET  HA     17 MET  QE      5.12            #peak 701
  4 ARG  HA     17 MET  QE      5.03            #peak 702
  1 GLY  H       1 GLY  QA      2.28            #peak 26
  1 GLY  QA      2 ARG  H       2.75            #peak 670
  1 GLY  QA      3 TYR  H       3.82            #peak 555
  1 GLY  QA      3 TYR  QD      7.31            #peak 412
  1 GLY  QA     18 ASP  HA      4.03            #peak 534
  2 ARG  HA      2 ARG  QG      3.21            #peak 226
  2 ARG  HB2     2 ARG  QG      2.56            #peak 693
  3 TYR  QE      5 ARG  QG      7.26            #peak 318
  5 ARG  H       5 ARG  QG      3.82            #peak 87
  5 ARG  HA      5 ARG  QG      3.27            #peak 637
  5 ARG  QG      6 CYSS H       5.08            #peak 136
  5 ARG  QG     16 TYR  QE      7.32            #peak 319
  5 ARG  QG     18 ASP  H       5.34            #peak 689
  5 ARG  QG     18 ASP  HB2     3.67            #peak 501
  5 ARG  QG     18 ASP  HB3     3.94            #peak 597
  5 ARG  QD      6 CYSS H       5.34            #peak 138
  7 ILE  H       7 ILE  QG1     4.51            #peak 658
  7 ILE  HA      8 PRO  QD      2.33            #peak 73
  7 ILE  HB      7 ILE  QG1     2.60            #peak 113
  7 ILE  QG2     8 PRO  QD      4.18            #peak 429
  7 ILE  QG1    14 TYR  QD      6.71            #peak 307
  7 ILE  QG1    16 TYR  QD      7.31            #peak 667
  7 ILE  QG1    16 TYR  QE      5.74            #peak 300
  8 PRO  QB      9 GLY  H       3.55            #peak 44
  8 PRO  QG      9 GLY  H       5.03            #peak 386
  9 GLY  QA     10 MET  H       2.85            #peak 75
 10 MET  HB3    10 MET  QG      2.36            #peak 195
 10 MET  QG     11 PHE  QE      7.32            #peak 356
 10 MET  QG     11 PHE  HZ      5.34            #peak 357
 11 PHE  QE     12 ARG  QG      7.32            #peak 371
 12 ARG  H      12 ARG  QG      3.89            #peak 36
 12 ARG  HB3    12 ARG  QG      2.42            #peak 209
 17 MET  H      17 MET  QG      3.21            #peak 12
 17 MET  HA     17 MET  QG      3.19            #peak 663
 
 #Dihedral angles
   2 ARG PHI -180 -20
   4 ARG PHI -150 -90
   5   ARG  PHI    -143.3   -81.1
   5   ARG  PSI     105.3   174.6
   6   CYSS  PHI    -139.9   -91.8
   6   CYSS  PSI     117.9   162.6
   7   ILE  PHI    -153.7   -68.4
   7   ILE  PSI      71.0   171.0
   8   PRO  PSI     126.0   169.1
  10   MET  PHI    -180     -20
  12   ARG  PHI    -174.7   -46.3
  12   ARG  PSI      87.6   167.4
  13   ALA  PHI     -180    -20
  14   TYR  PHI    -132.9   -73.4
  14   TYR  PSI      99.9   151.0
  15   CYSS  PHI    -137.6   -92.7
  15   CYSS  PSI      99.1   169.5
  16   TYR  PHI    -153.0   -82.3
  16   TYR  PSI      98.9   174.7
  17   MET  PHI    -164.2   -47.3
  17   MET  PSI      68.5   199.4
  5    ARG  CHI1     -90    -30
  3    TYR  CHI1     -210   -150
  10   MET  CHI1     -210   -150
  4    ARG  CHI1     -210   -150
  6    CYSS CHI1     -90    -30
  15   CYSS CHI1     -90    -30
  11   PHE  CHI1     -90    -30
  16   TYR  CHI1      30     90
  2    ARG  CHI1     -90    -30

#Hydrogen bonds
9 GLY H 12 ARG O 2.30
9 GLY N 12 ARG O 3.30
12 ARG H 9 GLY O 2.30
12 ARG N 9 GLY O 3.30
16 TYR H 5 ARG O 2.30
16 TYR N 5 ARG O 3.30
5 ARG H 16 TYR O 2.30
5 ARG N 16 TYR O 3.30
14 TYR H 7 ILE O 2.30
14 TYR N 7 ILE O 3.30

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -8.950   3.066   2.764
    2    HA2  GLY   1           2HA      GLY   1 -11.223   2.774   2.618
    3    HA3  GLY   1           3HA      GLY   1 -11.202   4.180   1.563
    4    H    ARG   2           H        ARG   2 -11.994   3.863  -0.401
    5    HA   ARG   2           HA       ARG   2 -12.266   1.123  -1.385
    6    HB2  ARG   2           1HB      ARG   2 -13.619   3.730  -1.993
    7    HB3  ARG   2           2HB      ARG   2 -13.664   2.421  -3.185
    8    HG2  ARG   2           1HG      ARG   2 -14.694   0.932  -1.542
    9    HG3  ARG   2           2HG      ARG   2 -14.644   2.237  -0.343
   10    HD2  ARG   2           1HD      ARG   2 -16.295   3.473  -1.400
   11    HD3  ARG   2           2HD      ARG   2 -15.985   2.714  -2.967
   12    HE   ARG   2           HE       ARG   2 -16.940   0.772  -1.167
   13   HH11  ARG   2          1HH1      ARG   2 -18.014   3.565  -2.950
   14   HH12  ARG   2          2HH1      ARG   2 -19.656   3.022  -3.064
   15   HH21  ARG   2          1HH2      ARG   2 -19.098   0.047  -1.311
   16   HH22  ARG   2          2HH2      ARG   2 -20.271   1.022  -2.132
   17    H    TYR   3           H        TYR   3  -9.687   1.857  -1.505
   18    HA   TYR   3           HA       TYR   3  -9.150   1.766  -4.322
   19    HB2  TYR   3           1HB      TYR   3  -9.361   4.154  -4.159
   20    HB3  TYR   3           2HB      TYR   3  -8.337   4.197  -2.722
   21    HD1  TYR   3           2HD      TYR   3  -8.050   2.824  -6.194
   22    HD2  TYR   3           1HD      TYR   3  -6.227   5.045  -3.056
   23    HE1  TYR   3           2HE      TYR   3  -6.061   3.164  -7.599
   24    HE2  TYR   3           1HE      TYR   3  -4.232   5.392  -4.453
   25    HH   TYR   3           HH       TYR   3  -3.151   4.084  -6.475
   26    H    ARG   4           H        ARG   4  -7.051   1.069  -4.797
   27    HA   ARG   4           HA       ARG   4  -5.604   0.004  -2.477
   28    HB2  ARG   4           1HB      ARG   4  -6.432  -1.525  -4.328
   29    HB3  ARG   4           2HB      ARG   4  -5.215  -0.770  -5.367
   30    HG2  ARG   4           1HG      ARG   4  -3.424  -1.568  -3.996
   31    HG3  ARG   4           2HG      ARG   4  -4.569  -2.154  -2.775
   32    HD2  ARG   4           1HD      ARG   4  -5.219  -3.263  -5.357
   33    HD3  ARG   4           2HD      ARG   4  -3.523  -3.568  -4.958
   34    HE   ARG   4           HE       ARG   4  -5.078  -4.183  -2.714
   35   HH11  ARG   4          1HH1      ARG   4  -4.517  -5.329  -5.952
   36   HH12  ARG   4          2HH1      ARG   4  -4.901  -6.976  -5.575
   37   HH21  ARG   4          1HH2      ARG   4  -5.585  -6.346  -2.206
   38   HH22  ARG   4          2HH2      ARG   4  -5.510  -7.554  -3.445
   39    H    ARG   5           H        ARG   5  -3.734   0.872  -1.886
   40    HA   ARG   5           HA       ARG   5  -2.280   2.527  -3.845
   41    HB2  ARG   5           1HB      ARG   5  -2.135   2.871  -0.853
   42    HB3  ARG   5           2HB      ARG   5  -1.622   4.001  -2.114
   43    HG2  ARG   5           1HG      ARG   5  -4.346   3.593  -2.581
   44    HG3  ARG   5           2HG      ARG   5  -4.178   3.743  -0.823
   45    HD2  ARG   5           1HD      ARG   5  -2.834   5.687  -2.687
   46    HD3  ARG   5           2HD      ARG   5  -4.526   5.885  -2.210
   47    HE   ARG   5           HE       ARG   5  -3.296   5.603   0.164
   48   HH11  ARG   5          1HH1      ARG   5  -2.641   7.619  -2.595
   49   HH12  ARG   5          2HH1      ARG   5  -1.946   8.902  -1.660
   50   HH21  ARG   5          1HH2      ARG   5  -2.383   7.284   1.409
   51   HH22  ARG   5          2HH2      ARG   5  -1.798   8.709   0.619
   52    H    CYS   6           H        CYS   6   0.048   2.596  -3.614
   53    HA   CYS   6           HA       CYS   6   1.233   0.368  -2.125
   54    HB2  CYS   6           1HB      CYS   6   1.409   0.839  -5.092
   55    HB3  CYS   6           2HB      CYS   6   2.677  -0.048  -4.228
   56    H    ILE   7           H        ILE   7   2.799   1.176  -0.913
   57    HA   ILE   7           HA       ILE   7   4.285   3.520  -1.897
   58    HB   ILE   7           HB       ILE   7   4.849   3.935   0.502
   59   HG12  ILE   7          1HG1      ILE   7   2.554   2.222   1.317
   60   HG13  ILE   7          2HG1      ILE   7   4.094   1.414   0.982
   61   HG21  ILE   7          1HG2      ILE   7   1.905   3.908  -0.146
   62   HG22  ILE   7          2HG2      ILE   7   2.695   4.914   1.066
   63   HG23  ILE   7          3HG2      ILE   7   3.055   5.149  -0.644
   64   HD11  ILE   7          3HD1      ILE   7   3.327   3.130   3.231
   65   HD12  ILE   7          1HD1      ILE   7   4.497   1.812   3.147
   66   HD13  ILE   7          2HD1      ILE   7   4.937   3.422   2.574
   67    HA   PRO   8           HA       PRO   8   8.037   1.240  -1.946
   68    HB2  PRO   8           1HB      PRO   8   9.844   3.183  -1.265
   69    HB3  PRO   8           2HB      PRO   8   9.025   3.117  -2.826
   70    HG2  PRO   8           1HG      PRO   8   8.349   4.731  -0.389
   71    HG3  PRO   8           2HG      PRO   8   8.407   5.244  -2.117
   72    HD2  PRO   8           1HD      PRO   8   6.083   4.684  -0.831
   73    HD3  PRO   8           2HD      PRO   8   6.328   4.351  -2.554
   74    H    GLY   9           H        GLY   9   8.762  -0.212  -0.529
   75    HA2  GLY   9           2HA      GLY   9   8.853   0.531   2.320
   76    HA3  GLY   9           3HA      GLY   9   8.694  -1.109   1.704
   77    H    MET  10           H        MET  10  10.481  -1.286   3.394
   78    HA   MET  10           HA       MET  10  13.093  -0.538   2.292
   79    HB2  MET  10           1HB      MET  10  12.246  -0.167   4.776
   80    HB3  MET  10           2HB      MET  10  12.805  -1.836   4.962
   81    HG2  MET  10           1HG      MET  10  14.928  -1.203   5.081
   82    HG3  MET  10           2HG      MET  10  14.782  -0.279   3.583
   83    HE1  MET  10           3HE      MET  10  13.813   2.090   3.425
   84    HE2  MET  10           1HE      MET  10  14.430   3.292   4.561
   85    HE3  MET  10           2HE      MET  10  15.550   2.227   3.711
   86    H    PHE  11           H        PHE  11  11.043  -3.251   2.927
   87    HA   PHE  11           HA       PHE  11  13.202  -5.069   2.081
   88    HB2  PHE  11           1HB      PHE  11  10.746  -5.835   3.673
   89    HB3  PHE  11           2HB      PHE  11  12.163  -6.833   3.341
   90    HD1  PHE  11           2HD      PHE  11  14.414  -5.159   3.953
   91    HD2  PHE  11           1HD      PHE  11  10.667  -5.457   5.950
   92    HE1  PHE  11           2HE      PHE  11  15.470  -4.396   6.039
   93    HE2  PHE  11           1HE      PHE  11  11.718  -4.693   8.041
   94    HZ   PHE  11           HZ       PHE  11  14.122  -4.162   8.088
   95    H    ARG  12           H        ARG  12   9.772  -4.292   1.794
   96    HA   ARG  12           HA       ARG  12   9.754  -5.274  -0.921
   97    HB2  ARG  12           1HB      ARG  12   7.608  -6.634  -0.370
   98    HB3  ARG  12           2HB      ARG  12   9.193  -7.353  -0.054
   99    HG2  ARG  12           1HG      ARG  12   9.003  -7.121   2.247
  100    HG3  ARG  12           2HG      ARG  12   7.753  -5.872   2.104
  101    HD2  ARG  12           1HD      ARG  12   6.941  -8.379   0.866
  102    HD3  ARG  12           2HD      ARG  12   7.337  -8.567   2.580
  103    HE   ARG  12           HE       ARG  12   5.693  -6.313   2.267
  104   HH11  ARG  12          1HH1      ARG  12   5.558  -9.785   2.048
  105   HH12  ARG  12          2HH1      ARG  12   3.878  -9.876   2.458
  106   HH21  ARG  12          1HH2      ARG  12   3.479  -6.420   2.809
  107   HH22  ARG  12          2HH2      ARG  12   2.697  -7.962   2.890
  108    H    ALA  13           H        ALA  13   7.555  -4.910  -1.937
  109    HA   ALA  13           HA       ALA  13   6.769  -2.242  -1.553
  110    HB1  ALA  13           1HB      ALA  13   5.711  -4.526  -3.151
  111    HB2  ALA  13           2HB      ALA  13   4.741  -3.062  -2.991
  112    HB3  ALA  13           3HB      ALA  13   6.357  -2.976  -3.689
  113    H    TYR  14           H        TYR  14   5.356  -1.318  -0.214
  114    HA   TYR  14           HA       TYR  14   3.628  -3.073   1.397
  115    HB2  TYR  14           1HB      TYR  14   5.437  -1.504   2.434
  116    HB3  TYR  14           2HB      TYR  14   4.262  -0.227   2.114
  117    HD1  TYR  14           1HD      TYR  14   1.797  -0.756   2.957
  118    HD2  TYR  14           2HD      TYR  14   5.334  -2.541   4.507
  119    HE1  TYR  14           1HE      TYR  14   0.608  -1.287   5.045
  120    HE2  TYR  14           2HE      TYR  14   4.155  -3.078   6.597
  121    HH   TYR  14           HH       TYR  14   2.135  -2.154   7.861
  122    H    CYS  15           H        CYS  15   1.751  -3.197   0.280
  123    HA   CYS  15           HA       CYS  15   0.508  -0.703  -0.645
  124    HB2  CYS  15           1HB      CYS  15  -0.240  -3.569  -1.254
  125    HB3  CYS  15           2HB      CYS  15  -0.961  -2.128  -1.989
  126    H    TYR  16           H        TYR  16  -1.779  -0.382  -0.261
  127    HA   TYR  16           HA       TYR  16  -3.037  -1.922   1.844
  128    HB2  TYR  16           1HB      TYR  16  -3.442   0.088   3.264
  129    HB3  TYR  16           2HB      TYR  16  -1.747  -0.408   3.200
  130    HD1  TYR  16           1HD      TYR  16  -0.122   0.874   1.807
  131    HD2  TYR  16           2HD      TYR  16  -4.093   2.247   2.478
  132    HE1  TYR  16           1HE      TYR  16   0.546   3.134   1.099
  133    HE2  TYR  16           2HE      TYR  16  -3.438   4.510   1.772
  134    HH   TYR  16           HH       TYR  16  -0.707   5.711   1.758
  135    H    MET  17           H        MET  17  -5.222  -0.803   2.428
  136    HA   MET  17           HA       MET  17  -6.450   0.015  -0.116
  137    HB2  MET  17           1HB      MET  17  -7.410  -1.575   2.227
  138    HB3  MET  17           2HB      MET  17  -8.593  -0.650   1.288
  139    HG2  MET  17           1HG      MET  17  -6.680  -2.623   0.044
  140    HG3  MET  17           2HG      MET  17  -8.294  -3.051   0.617
  141    HE1  MET  17           3HE      MET  17  -9.528  -3.716  -1.921
  142    HE2  MET  17           1HE      MET  17 -10.213  -2.969  -0.479
  143    HE3  MET  17           2HE      MET  17 -10.578  -2.306  -2.072
  144    H    ASP  18           H        ASP  18  -6.204   2.218  -0.050
  145    HA   ASP  18           HA       ASP  18  -6.782   3.768   2.286
  146    HB2  ASP  18           1HB      ASP  18  -5.161   4.589   0.687
  147    HB3  ASP  18           2HB      ASP  18  -6.374   4.569  -0.601
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -8.950   3.061   2.767
    2    HA2  GLY   1           2HA      GLY   1 -11.222   2.770   2.623
    3    HA3  GLY   1           3HA      GLY   1 -11.204   4.177   1.569
    4    H    ARG   2           H        ARG   2 -11.997   3.862  -0.394
    5    HA   ARG   2           HA       ARG   2 -12.268   1.125  -1.383
    6    HB2  ARG   2           1HB      ARG   2 -13.621   3.733  -1.988
    7    HB3  ARG   2           2HB      ARG   2 -13.666   2.424  -3.180
    8    HG2  ARG   2           1HG      ARG   2 -14.438   1.021  -1.054
    9    HG3  ARG   2           2HG      ARG   2 -14.985   2.625  -0.539
   10    HD2  ARG   2           1HD      ARG   2 -16.089   2.815  -2.840
   11    HD3  ARG   2           2HD      ARG   2 -15.793   1.076  -2.983
   12    HE   ARG   2           HE       ARG   2 -17.506   0.696  -1.510
   13   HH11  ARG   2          1HH1      ARG   2 -16.578   4.048  -1.347
   14   HH12  ARG   2          2HH1      ARG   2 -17.907   4.500  -0.332
   15   HH21  ARG   2          1HH2      ARG   2 -19.258   1.280  -0.172
   16   HH22  ARG   2          2HH2      ARG   2 -19.430   2.925   0.337
   17    H    TYR   3           H        TYR   3  -9.690   1.860  -1.504
   18    HA   TYR   3           HA       TYR   3  -9.154   1.774  -4.320
   19    HB2  TYR   3           1HB      TYR   3  -9.363   4.160  -4.153
   20    HB3  TYR   3           2HB      TYR   3  -8.342   4.202  -2.716
   21    HD1  TYR   3           2HD      TYR   3  -8.052   2.836  -6.192
   22    HD2  TYR   3           1HD      TYR   3  -6.231   5.048  -3.045
   23    HE1  TYR   3           2HE      TYR   3  -6.061   3.179  -7.594
   24    HE2  TYR   3           1HE      TYR   3  -4.234   5.399  -4.440
   25    HH   TYR   3           HH       TYR   3  -3.153   4.678  -6.322
   26    H    ARG   4           H        ARG   4  -7.056   1.078  -4.796
   27    HA   ARG   4           HA       ARG   4  -5.607   0.006  -2.479
   28    HB2  ARG   4           1HB      ARG   4  -6.440  -1.508  -4.351
   29    HB3  ARG   4           2HB      ARG   4  -5.198  -0.760  -5.367
   30    HG2  ARG   4           1HG      ARG   4  -3.628  -2.096  -4.552
   31    HG3  ARG   4           2HG      ARG   4  -4.036  -1.626  -2.894
   32    HD2  ARG   4           1HD      ARG   4  -5.909  -3.266  -2.929
   33    HD3  ARG   4           2HD      ARG   4  -5.363  -3.782  -4.531
   34    HE   ARG   4           HE       ARG   4  -3.240  -3.927  -2.656
   35   HH11  ARG   4          1HH1      ARG   4  -6.161  -5.539  -3.648
   36   HH12  ARG   4          2HH1      ARG   4  -5.643  -7.098  -3.097
   37   HH21  ARG   4          1HH2      ARG   4  -2.546  -5.973  -1.927
   38   HH22  ARG   4          2HH2      ARG   4  -3.586  -7.343  -2.117
   39    H    ARG   5           H        ARG   5  -3.735   0.871  -1.888
   40    HA   ARG   5           HA       ARG   5  -2.282   2.532  -3.842
   41    HB2  ARG   5           1HB      ARG   5  -2.134   2.869  -0.848
   42    HB3  ARG   5           2HB      ARG   5  -1.623   4.004  -2.107
   43    HG2  ARG   5           1HG      ARG   5  -4.347   3.596  -2.573
   44    HG3  ARG   5           2HG      ARG   5  -4.180   3.733  -0.815
   45    HD2  ARG   5           1HD      ARG   5  -2.768   5.692  -2.591
   46    HD3  ARG   5           2HD      ARG   5  -4.501   5.874  -2.284
   47    HE   ARG   5           HE       ARG   5  -3.507   5.610   0.202
   48   HH11  ARG   5          1HH1      ARG   5  -2.609   7.629  -2.489
   49   HH12  ARG   5          2HH1      ARG   5  -2.024   8.920  -1.491
   50   HH21  ARG   5          1HH2      ARG   5  -2.739   7.302   1.524
   51   HH22  ARG   5          2HH2      ARG   5  -2.097   8.732   0.791
   52    H    CYS   6           H        CYS   6   0.046   2.600  -3.615
   53    HA   CYS   6           HA       CYS   6   1.231   0.371  -2.133
   54    HB2  CYS   6           1HB      CYS   6   1.403   0.843  -5.098
   55    HB3  CYS   6           2HB      CYS   6   2.673  -0.041  -4.238
   56    H    ILE   7           H        ILE   7   2.799   1.174  -0.919
   57    HA   ILE   7           HA       ILE   7   4.285   3.519  -1.902
   58    HB   ILE   7           HB       ILE   7   4.847   3.935   0.496
   59   HG12  ILE   7          1HG1      ILE   7   2.559   2.205   1.305
   60   HG13  ILE   7          2HG1      ILE   7   4.113   1.417   0.987
   61   HG21  ILE   7          1HG2      ILE   7   2.683   4.902   1.066
   62   HG22  ILE   7          2HG2      ILE   7   3.059   5.154  -0.638
   63   HG23  ILE   7          3HG2      ILE   7   1.906   3.906  -0.166
   64   HD11  ILE   7          3HD1      ILE   7   3.268   2.930   3.285
   65   HD12  ILE   7          1HD1      ILE   7   4.676   1.890   3.073
   66   HD13  ILE   7          2HD1      ILE   7   4.753   3.586   2.595
   67    HA   PRO   8           HA       PRO   8   8.035   1.233  -1.949
   68    HB2  PRO   8           1HB      PRO   8   9.844   3.176  -1.272
   69    HB3  PRO   8           2HB      PRO   8   9.025   3.110  -2.831
   70    HG2  PRO   8           1HG      PRO   8   8.351   4.725  -0.397
   71    HG3  PRO   8           2HG      PRO   8   8.409   5.238  -2.123
   72    HD2  PRO   8           1HD      PRO   8   6.084   4.682  -0.837
   73    HD3  PRO   8           2HD      PRO   8   6.329   4.346  -2.559
   74    H    GLY   9           H        GLY   9   8.760  -0.218  -0.529
   75    HA2  GLY   9           2HA      GLY   9   8.848   0.526   2.319
   76    HA3  GLY   9           3HA      GLY   9   8.692  -1.113   1.704
   77    H    MET  10           H        MET  10  10.477  -1.287   3.396
   78    HA   MET  10           HA       MET  10  13.089  -0.531   2.296
   79    HB2  MET  10           1HB      MET  10  12.239  -0.162   4.782
   80    HB3  MET  10           2HB      MET  10  12.802  -1.828   4.967
   81    HG2  MET  10           1HG      MET  10  14.844  -1.045   5.313
   82    HG3  MET  10           2HG      MET  10  14.863  -0.528   3.626
   83    HE1  MET  10           3HE      MET  10  16.386   1.131   6.424
   84    HE2  MET  10           1HE      MET  10  15.092   1.984   7.267
   85    HE3  MET  10           2HE      MET  10  15.040   0.228   7.122
   86    H    PHE  11           H        PHE  11  11.045  -3.249   2.932
   87    HA   PHE  11           HA       PHE  11  13.210  -5.063   2.088
   88    HB2  PHE  11           1HB      PHE  11  10.754  -5.832   3.679
   89    HB3  PHE  11           2HB      PHE  11  12.174  -6.829   3.350
   90    HD1  PHE  11           1HD      PHE  11  10.861  -4.065   5.353
   91    HD2  PHE  11           2HD      PHE  11  14.235  -6.536   4.563
   92    HE1  PHE  11           1HE      PHE  11  11.909  -3.295   7.441
   93    HE2  PHE  11           2HE      PHE  11  15.289  -5.771   6.651
   94    HZ   PHE  11           HZ       PHE  11  14.125  -4.151   8.094
   95    H    ARG  12           H        ARG  12   9.778  -4.290   1.797
   96    HA   ARG  12           HA       ARG  12   9.763  -5.276  -0.917
   97    HB2  ARG  12           1HB      ARG  12   7.622  -6.639  -0.367
   98    HB3  ARG  12           2HB      ARG  12   9.209  -7.357  -0.049
   99    HG2  ARG  12           1HG      ARG  12   9.039  -6.840   2.304
  100    HG3  ARG  12           2HG      ARG  12   7.511  -5.987   2.024
  101    HD2  ARG  12           1HD      ARG  12   7.582  -8.759   1.019
  102    HD3  ARG  12           2HD      ARG  12   7.711  -8.587   2.778
  103    HE   ARG  12           HE       ARG  12   5.607  -6.970   1.911
  104   HH11  ARG  12          1HH1      ARG  12   6.433 -10.347   2.102
  105   HH12  ARG  12          2HH1      ARG  12   4.791 -10.875   2.255
  106   HH21  ARG  12          1HH2      ARG  12   3.440  -7.653   2.114
  107   HH22  ARG  12          2HH2      ARG  12   3.088  -9.340   2.260
  108    H    ALA  13           H        ALA  13   7.565  -4.918  -1.936
  109    HA   ALA  13           HA       ALA  13   6.773  -2.252  -1.556
  110    HB1  ALA  13           1HB      ALA  13   5.436  -4.514  -3.029
  111    HB2  ALA  13           2HB      ALA  13   4.891  -2.837  -3.093
  112    HB3  ALA  13           3HB      ALA  13   6.492  -3.269  -3.697
  113    H    TYR  14           H        TYR  14   5.348  -1.323  -0.231
  114    HA   TYR  14           HA       TYR  14   3.627  -3.076   1.389
  115    HB2  TYR  14           1HB      TYR  14   5.440  -1.515   2.425
  116    HB3  TYR  14           2HB      TYR  14   4.270  -0.231   2.106
  117    HD1  TYR  14           2HD      TYR  14   1.799  -0.766   2.945
  118    HD2  TYR  14           1HD      TYR  14   5.339  -2.539   4.505
  119    HE1  TYR  14           2HE      TYR  14   0.608  -1.290   5.032
  120    HE2  TYR  14           1HE      TYR  14   4.156  -3.069   6.597
  121    HH   TYR  14           HH       TYR  14   2.284  -2.707   7.798
  122    H    CYS  15           H        CYS  15   1.748  -3.197   0.274
  123    HA   CYS  15           HA       CYS  15   0.509  -0.700  -0.647
  124    HB2  CYS  15           1HB      CYS  15  -0.242  -3.563  -1.262
  125    HB3  CYS  15           2HB      CYS  15  -0.962  -2.119  -1.993
  126    H    TYR  16           H        TYR  16  -1.780  -0.379  -0.264
  127    HA   TYR  16           HA       TYR  16  -3.036  -1.924   1.840
  128    HB2  TYR  16           1HB      TYR  16  -3.442   0.085   3.263
  129    HB3  TYR  16           2HB      TYR  16  -1.748  -0.411   3.198
  130    HD1  TYR  16           1HD      TYR  16  -0.132   0.864   1.767
  131    HD2  TYR  16           2HD      TYR  16  -4.083   2.254   2.518
  132    HE1  TYR  16           1HE      TYR  16   0.535   3.125   1.064
  133    HE2  TYR  16           2HE      TYR  16  -3.426   4.519   1.816
  134    HH   TYR  16           HH       TYR  16  -0.261   5.170   0.438
  135    H    MET  17           H        MET  17  -5.223  -0.805   2.424
  136    HA   MET  17           HA       MET  17  -6.451   0.014  -0.119
  137    HB2  MET  17           1HB      MET  17  -7.410  -1.577   2.221
  138    HB3  MET  17           2HB      MET  17  -8.592  -0.653   1.285
  139    HG2  MET  17           1HG      MET  17  -7.811  -1.807  -0.772
  140    HG3  MET  17           2HG      MET  17  -6.758  -2.795   0.242
  141    HE1  MET  17           3HE      MET  17  -9.895  -4.875  -1.148
  142    HE2  MET  17           1HE      MET  17  -8.605  -3.853  -1.781
  143    HE3  MET  17           2HE      MET  17  -8.213  -5.230  -0.753
  144    H    ASP  18           H        ASP  18  -6.205   2.218  -0.050
  145    HA   ASP  18           HA       ASP  18  -6.783   3.765   2.288
  146    HB2  ASP  18           1HB      ASP  18  -5.163   4.591   0.689
  147    HB3  ASP  18           2HB      ASP  18  -6.374   4.570  -0.599
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -8.948   3.066   2.763
    2    HA2  GLY   1           2HA      GLY   1 -11.220   2.772   2.620
    3    HA3  GLY   1           3HA      GLY   1 -11.202   4.175   1.562
    4    H    ARG   2           H        ARG   2 -11.993   3.857  -0.401
    5    HA   ARG   2           HA       ARG   2 -12.263   1.115  -1.380
    6    HB2  ARG   2           1HB      ARG   2 -13.618   3.719  -1.995
    7    HB3  ARG   2           2HB      ARG   2 -13.663   2.407  -3.181
    8    HG2  ARG   2           1HG      ARG   2 -14.485   1.950  -0.328
    9    HG3  ARG   2           2HG      ARG   2 -15.609   2.617  -1.529
   10    HD2  ARG   2           1HD      ARG   2 -14.405   0.415  -2.786
   11    HD3  ARG   2           2HD      ARG   2 -14.758  -0.109  -1.132
   12    HE   ARG   2           HE       ARG   2 -16.656   0.423  -3.207
   13   HH11  ARG   2          1HH1      ARG   2 -16.162   0.389   0.239
   14   HH12  ARG   2          2HH1      ARG   2 -17.840   0.156   0.608
   15   HH21  ARG   2          1HH2      ARG   2 -18.866   0.117  -2.734
   16   HH22  ARG   2          2HH2      ARG   2 -19.376   0.000  -1.083
   17    H    TYR   3           H        TYR   3  -9.684   1.853  -1.504
   18    HA   TYR   3           HA       TYR   3  -9.148   1.758  -4.321
   19    HB2  TYR   3           1HB      TYR   3  -9.363   4.145  -4.158
   20    HB3  TYR   3           2HB      TYR   3  -8.335   4.190  -2.724
   21    HD1  TYR   3           2HD      TYR   3  -8.056   2.814  -6.195
   22    HD2  TYR   3           1HD      TYR   3  -6.227   5.038  -3.064
   23    HE1  TYR   3           2HE      TYR   3  -6.068   3.154  -7.605
   24    HE2  TYR   3           1HE      TYR   3  -4.235   5.385  -4.465
   25    HH   TYR   3           HH       TYR   3  -4.190   4.790  -7.774
   26    H    ARG   4           H        ARG   4  -7.049   1.062  -4.795
   27    HA   ARG   4           HA       ARG   4  -5.601  -0.001  -2.475
   28    HB2  ARG   4           1HB      ARG   4  -6.446  -1.496  -4.383
   29    HB3  ARG   4           2HB      ARG   4  -5.146  -0.783  -5.345
   30    HG2  ARG   4           1HG      ARG   4  -3.823  -2.393  -4.572
   31    HG3  ARG   4           2HG      ARG   4  -3.885  -1.561  -3.009
   32    HD2  ARG   4           1HD      ARG   4  -5.564  -2.962  -2.177
   33    HD3  ARG   4           2HD      ARG   4  -6.030  -3.498  -3.797
   34    HE   ARG   4           HE       ARG   4  -3.375  -4.280  -3.279
   35   HH11  ARG   4          1HH1      ARG   4  -6.647  -5.019  -2.354
   36   HH12  ARG   4          2HH1      ARG   4  -6.305  -6.674  -1.973
   37   HH21  ARG   4          1HH2      ARG   4  -2.909  -6.458  -2.781
   38   HH22  ARG   4          2HH2      ARG   4  -4.178  -7.491  -2.215
   39    H    ARG   5           H        ARG   5  -3.728   0.864  -1.889
   40    HA   ARG   5           HA       ARG   5  -2.275   2.518  -3.851
   41    HB2  ARG   5           1HB      ARG   5  -2.131   2.873  -0.861
   42    HB3  ARG   5           2HB      ARG   5  -1.619   3.999  -2.126
   43    HG2  ARG   5           1HG      ARG   5  -4.342   3.587  -2.591
   44    HG3  ARG   5           2HG      ARG   5  -4.175   3.743  -0.835
   45    HD2  ARG   5           1HD      ARG   5  -2.665   5.688  -2.496
   46    HD3  ARG   5           2HD      ARG   5  -4.426   5.847  -2.471
   47    HE   ARG   5           HE       ARG   5  -3.309   5.587   0.151
   48   HH11  ARG   5          1HH1      ARG   5  -3.976   7.821  -2.435
   49   HH12  ARG   5          2HH1      ARG   5  -4.035   9.206  -1.397
   50   HH21  ARG   5          1HH2      ARG   5  -3.385   7.405   1.528
   51   HH22  ARG   5          2HH2      ARG   5  -3.697   8.969   0.856
   52    H    CYS   6           H        CYS   6   0.052   2.589  -3.621
   53    HA   CYS   6           HA       CYS   6   1.237   0.368  -2.126
   54    HB2  CYS   6           1HB      CYS   6   1.413   0.826  -5.093
   55    HB3  CYS   6           2HB      CYS   6   2.682  -0.056  -4.227
   56    H    ILE   7           H        ILE   7   2.803   1.178  -0.915
   57    HA   ILE   7           HA       ILE   7   4.290   3.520  -1.908
   58    HB   ILE   7           HB       ILE   7   4.852   3.946   0.490
   59   HG12  ILE   7          1HG1      ILE   7   2.556   2.229   1.307
   60   HG13  ILE   7          2HG1      ILE   7   4.101   1.427   0.985
   61   HG21  ILE   7          1HG2      ILE   7   1.905   3.915  -0.160
   62   HG22  ILE   7          2HG2      ILE   7   2.698   4.926   1.048
   63   HG23  ILE   7          3HG2      ILE   7   3.057   5.153  -0.664
   64   HD11  ILE   7          3HD1      ILE   7   3.302   2.703   3.343
   65   HD12  ILE   7          1HD1      ILE   7   4.881   2.018   2.963
   66   HD13  ILE   7          2HD1      ILE   7   4.554   3.719   2.629
   67    HA   PRO   8           HA       PRO   8   8.042   1.240  -1.943
   68    HB2  PRO   8           1HB      PRO   8   9.847   3.186  -1.271
   69    HB3  PRO   8           2HB      PRO   8   9.031   3.115  -2.831
   70    HG2  PRO   8           1HG      PRO   8   8.351   4.736  -0.400
   71    HG3  PRO   8           2HG      PRO   8   8.411   5.243  -2.131
   72    HD2  PRO   8           1HD      PRO   8   6.085   4.690  -0.845
   73    HD3  PRO   8           2HD      PRO   8   6.331   4.348  -2.566
   74    H    GLY   9           H        GLY   9   8.765  -0.207  -0.519
   75    HA2  GLY   9           2HA      GLY   9   8.858   0.551   2.327
   76    HA3  GLY   9           3HA      GLY   9   8.691  -1.090   1.721
   77    H    MET  10           H        MET  10  10.475  -1.309   3.386
   78    HA   MET  10           HA       MET  10  13.090  -0.556   2.292
   79    HB2  MET  10           1HB      MET  10  12.248  -0.187   4.777
   80    HB3  MET  10           2HB      MET  10  12.799  -1.858   4.960
   81    HG2  MET  10           1HG      MET  10  14.934  -1.252   5.043
   82    HG3  MET  10           2HG      MET  10  14.769  -0.267   3.586
   83    HE1  MET  10           3HE      MET  10  16.483   1.732   6.602
   84    HE2  MET  10           1HE      MET  10  15.865   0.237   7.306
   85    HE3  MET  10           2HE      MET  10  16.684   0.202   5.743
   86    H    PHE  11           H        PHE  11  11.029  -3.263   2.930
   87    HA   PHE  11           HA       PHE  11  13.181  -5.088   2.079
   88    HB2  PHE  11           1HB      PHE  11  10.717  -5.847   3.665
   89    HB3  PHE  11           2HB      PHE  11  12.132  -6.850   3.336
   90    HD1  PHE  11           2HD      PHE  11  14.246  -6.478   4.491
   91    HD2  PHE  11           1HD      PHE  11  10.782  -4.181   5.406
   92    HE1  PHE  11           2HE      PHE  11  15.301  -5.725   6.582
   93    HE2  PHE  11           1HE      PHE  11  11.832  -3.422   7.497
   94    HZ   PHE  11           HZ       PHE  11  14.094  -4.196   8.089
   95    H    ARG  12           H        ARG  12   9.754  -4.294   1.788
   96    HA   ARG  12           HA       ARG  12   9.735  -5.270  -0.929
   97    HB2  ARG  12           1HB      ARG  12   7.584  -6.621  -0.384
   98    HB3  ARG  12           2HB      ARG  12   9.165  -7.350  -0.066
   99    HG2  ARG  12           1HG      ARG  12   8.996  -6.829   2.288
  100    HG3  ARG  12           2HG      ARG  12   7.469  -5.975   2.006
  101    HD2  ARG  12           1HD      ARG  12   7.658  -8.805   1.089
  102    HD3  ARG  12           2HD      ARG  12   7.548  -8.501   2.829
  103    HE   ARG  12           HE       ARG  12   5.555  -6.989   1.646
  104   HH11  ARG  12          1HH1      ARG  12   6.407 -10.354   1.919
  105   HH12  ARG  12          2HH1      ARG  12   4.769 -10.912   1.828
  106   HH21  ARG  12          1HH2      ARG  12   3.394  -7.710   1.524
  107   HH22  ARG  12          2HH2      ARG  12   3.056  -9.405   1.602
  108    H    ALA  13           H        ALA  13   7.540  -4.896  -1.947
  109    HA   ALA  13           HA       ALA  13   6.764  -2.224  -1.555
  110    HB1  ALA  13           1HB      ALA  13   6.371  -4.118  -3.509
  111    HB2  ALA  13           2HB      ALA  13   4.748  -3.859  -2.870
  112    HB3  ALA  13           3HB      ALA  13   5.680  -2.495  -3.485
  113    H    TYR  14           H        TYR  14   5.380  -1.307  -0.187
  114    HA   TYR  14           HA       TYR  14   3.638  -3.059   1.406
  115    HB2  TYR  14           1HB      TYR  14   5.441  -1.487   2.446
  116    HB3  TYR  14           2HB      TYR  14   4.267  -0.210   2.120
  117    HD1  TYR  14           1HD      TYR  14   1.801  -0.733   2.961
  118    HD2  TYR  14           2HD      TYR  14   5.332  -2.523   4.522
  119    HE1  TYR  14           1HE      TYR  14   0.607  -1.258   5.046
  120    HE2  TYR  14           2HE      TYR  14   4.149  -3.052   6.610
  121    HH   TYR  14           HH       TYR  14   1.519  -3.432   7.190
  122    H    CYS  15           H        CYS  15   1.762  -3.191   0.290
  123    HA   CYS  15           HA       CYS  15   0.514  -0.701  -0.642
  124    HB2  CYS  15           1HB      CYS  15  -0.228  -3.571  -1.241
  125    HB3  CYS  15           2HB      CYS  15  -0.953  -2.132  -1.981
  126    H    TYR  16           H        TYR  16  -1.775  -0.381  -0.258
  127    HA   TYR  16           HA       TYR  16  -3.028  -1.919   1.850
  128    HB2  TYR  16           1HB      TYR  16  -3.435   0.095   3.267
  129    HB3  TYR  16           2HB      TYR  16  -1.742  -0.400   3.203
  130    HD1  TYR  16           1HD      TYR  16  -0.121   0.879   1.792
  131    HD2  TYR  16           2HD      TYR  16  -4.086   2.255   2.490
  132    HE1  TYR  16           1HE      TYR  16   0.544   3.137   1.078
  133    HE2  TYR  16           2HE      TYR  16  -3.433   4.516   1.776
  134    HH   TYR  16           HH       TYR  16  -0.148   5.416   1.301
  135    H    MET  17           H        MET  17  -5.216  -0.796   2.432
  136    HA   MET  17           HA       MET  17  -6.445   0.013  -0.113
  137    HB2  MET  17           1HB      MET  17  -7.404  -1.572   2.234
  138    HB3  MET  17           2HB      MET  17  -8.585  -0.654   1.289
  139    HG2  MET  17           1HG      MET  17  -6.666  -2.617   0.045
  140    HG3  MET  17           2HG      MET  17  -8.271  -3.060   0.632
  141    HE1  MET  17           3HE      MET  17  -9.979  -3.499  -1.222
  142    HE2  MET  17           1HE      MET  17  -9.548  -3.112  -2.888
  143    HE3  MET  17           2HE      MET  17  -8.434  -4.038  -1.881
  144    H    ASP  18           H        ASP  18  -6.200   2.216  -0.051
  145    HA   ASP  18           HA       ASP  18  -6.781   3.770   2.280
  146    HB2  ASP  18           1HB      ASP  18  -5.161   4.586   0.672
  147    HB3  ASP  18           2HB      ASP  18  -6.382   4.570  -0.609
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -8.942   3.070   2.765
    2    HA2  GLY   1           2HA      GLY   1 -11.214   2.773   2.623
    3    HA3  GLY   1           3HA      GLY   1 -11.198   4.177   1.566
    4    H    ARG   2           H        ARG   2 -11.998   3.857  -0.392
    5    HA   ARG   2           HA       ARG   2 -12.263   1.117  -1.376
    6    HB2  ARG   2           1HB      ARG   2 -13.619   3.720  -1.985
    7    HB3  ARG   2           2HB      ARG   2 -13.666   2.410  -3.174
    8    HG2  ARG   2           1HG      ARG   2 -14.551   0.932  -1.296
    9    HG3  ARG   2           2HG      ARG   2 -14.800   2.438  -0.399
   10    HD2  ARG   2           1HD      ARG   2 -16.013   3.192  -2.616
   11    HD3  ARG   2           2HD      ARG   2 -16.165   1.446  -2.856
   12    HE   ARG   2           HE       ARG   2 -17.596   3.057  -0.968
   13   HH11  ARG   2          1HH1      ARG   2 -16.382  -0.139  -1.625
   14   HH12  ARG   2          2HH1      ARG   2 -17.554  -0.932  -0.623
   15   HH21  ARG   2          1HH2      ARG   2 -19.142   2.026   0.354
   16   HH22  ARG   2          2HH2      ARG   2 -19.123   0.302   0.501
   17    H    TYR   3           H        TYR   3  -9.686   1.854  -1.500
   18    HA   TYR   3           HA       TYR   3  -9.153   1.761  -4.317
   19    HB2  TYR   3           1HB      TYR   3  -9.365   4.150  -4.153
   20    HB3  TYR   3           2HB      TYR   3  -8.338   4.192  -2.718
   21    HD1  TYR   3           2HD      TYR   3  -8.058   2.819  -6.191
   22    HD2  TYR   3           1HD      TYR   3  -6.230   5.040  -3.058
   23    HE1  TYR   3           2HE      TYR   3  -6.070   3.160  -7.601
   24    HE2  TYR   3           1HE      TYR   3  -4.238   5.390  -4.459
   25    HH   TYR   3           HH       TYR   3  -3.144   4.561  -6.342
   26    H    ARG   4           H        ARG   4  -7.054   1.066  -4.795
   27    HA   ARG   4           HA       ARG   4  -5.603   0.001  -2.477
   28    HB2  ARG   4           1HB      ARG   4  -6.434  -1.531  -4.325
   29    HB3  ARG   4           2HB      ARG   4  -5.219  -0.774  -5.366
   30    HG2  ARG   4           1HG      ARG   4  -3.626  -2.094  -4.579
   31    HG3  ARG   4           2HG      ARG   4  -3.994  -1.609  -2.917
   32    HD2  ARG   4           1HD      ARG   4  -4.218  -4.031  -3.195
   33    HD3  ARG   4           2HD      ARG   4  -5.769  -3.276  -2.802
   34    HE   ARG   4           HE       ARG   4  -5.572  -3.434  -5.583
   35   HH11  ARG   4          1HH1      ARG   4  -5.825  -5.549  -2.831
   36   HH12  ARG   4          2HH1      ARG   4  -6.642  -6.804  -3.705
   37   HH21  ARG   4          1HH2      ARG   4  -6.646  -5.076  -6.745
   38   HH22  ARG   4          2HH2      ARG   4  -7.107  -6.533  -5.932
   39    H    ARG   5           H        ARG   5  -3.729   0.867  -1.891
   40    HA   ARG   5           HA       ARG   5  -2.279   2.520  -3.854
   41    HB2  ARG   5           1HB      ARG   5  -2.133   2.871  -0.861
   42    HB3  ARG   5           2HB      ARG   5  -1.618   3.999  -2.124
   43    HG2  ARG   5           1HG      ARG   5  -4.346   3.589  -2.590
   44    HG3  ARG   5           2HG      ARG   5  -4.175   3.747  -0.833
   45    HD2  ARG   5           1HD      ARG   5  -2.656   5.687  -2.487
   46    HD3  ARG   5           2HD      ARG   5  -4.419   5.847  -2.485
   47    HE   ARG   5           HE       ARG   5  -3.310   5.598   0.150
   48   HH11  ARG   5          1HH1      ARG   5  -4.031   7.811  -2.439
   49   HH12  ARG   5          2HH1      ARG   5  -4.125   9.196  -1.401
   50   HH21  ARG   5          1HH2      ARG   5  -3.429   7.413   1.524
   51   HH22  ARG   5          2HH2      ARG   5  -3.782   8.970   0.851
   52    H    CYS   6           H        CYS   6   0.050   2.592  -3.622
   53    HA   CYS   6           HA       CYS   6   1.235   0.368  -2.135
   54    HB2  CYS   6           1HB      CYS   6   1.409   0.836  -5.100
   55    HB3  CYS   6           2HB      CYS   6   2.680  -0.049  -4.234
   56    H    ILE   7           H        ILE   7   2.801   1.174  -0.921
   57    HA   ILE   7           HA       ILE   7   4.287   3.518  -1.908
   58    HB   ILE   7           HB       ILE   7   4.845   3.945   0.489
   59   HG12  ILE   7          1HG1      ILE   7   2.587   2.079   1.177
   60   HG13  ILE   7          2HG1      ILE   7   4.254   1.484   1.087
   61   HG21  ILE   7          1HG2      ILE   7   1.900   3.902  -0.159
   62   HG22  ILE   7          2HG2      ILE   7   2.687   4.914   1.051
   63   HG23  ILE   7          3HG2      ILE   7   3.045   5.147  -0.661
   64   HD11  ILE   7          3HD1      ILE   7   2.952   2.932   3.199
   65   HD12  ILE   7          1HD1      ILE   7   4.507   2.098   3.196
   66   HD13  ILE   7          2HD1      ILE   7   4.404   3.775   2.658
   67    HA   PRO   8           HA       PRO   8   8.038   1.235  -1.942
   68    HB2  PRO   8           1HB      PRO   8   9.846   3.181  -1.268
   69    HB3  PRO   8           2HB      PRO   8   9.029   3.109  -2.829
   70    HG2  PRO   8           1HG      PRO   8   8.349   4.731  -0.400
   71    HG3  PRO   8           2HG      PRO   8   8.408   5.240  -2.129
   72    HD2  PRO   8           1HD      PRO   8   6.083   4.687  -0.843
   73    HD3  PRO   8           2HD      PRO   8   6.331   4.344  -2.566
   74    H    GLY   9           H        GLY   9   8.761  -0.212  -0.518
   75    HA2  GLY   9           2HA      GLY   9   8.850   0.544   2.329
   76    HA3  GLY   9           3HA      GLY   9   8.686  -1.097   1.720
   77    H    MET  10           H        MET  10  10.470  -1.298   3.396
   78    HA   MET  10           HA       MET  10  13.086  -0.548   2.301
   79    HB2  MET  10           1HB      MET  10  12.241  -0.174   4.785
   80    HB3  MET  10           2HB      MET  10  12.793  -1.846   4.970
   81    HG2  MET  10           1HG      MET  10  14.980  -1.305   4.811
   82    HG3  MET  10           2HG      MET  10  14.676  -0.016   3.641
   83    HE1  MET  10           3HE      MET  10  13.588   2.424   4.420
   84    HE2  MET  10           1HE      MET  10  14.725   3.129   5.571
   85    HE3  MET  10           2HE      MET  10  15.324   2.228   4.179
   86    H    PHE  11           H        PHE  11  11.028  -3.257   2.936
   87    HA   PHE  11           HA       PHE  11  13.185  -5.080   2.095
   88    HB2  PHE  11           1HB      PHE  11  10.717  -5.838   3.672
   89    HB3  PHE  11           2HB      PHE  11  12.132  -6.843   3.348
   90    HD1  PHE  11           1HD      PHE  11  14.368  -5.100   3.955
   91    HD2  PHE  11           2HD      PHE  11  10.643  -5.541   5.968
   92    HE1  PHE  11           1HE      PHE  11  15.414  -4.344   6.050
   93    HE2  PHE  11           2HE      PHE  11  11.683  -4.784   8.065
   94    HZ   PHE  11           HZ       PHE  11  14.072  -4.182   8.108
   95    H    ARG  12           H        ARG  12   9.760  -4.289   1.788
   96    HA   ARG  12           HA       ARG  12   9.753  -5.260  -0.931
   97    HB2  ARG  12           1HB      ARG  12   7.607  -6.624  -0.395
   98    HB3  ARG  12           2HB      ARG  12   9.192  -7.347  -0.078
   99    HG2  ARG  12           1HG      ARG  12   9.018  -6.909   2.268
  100    HG3  ARG  12           2HG      ARG  12   7.543  -5.957   2.018
  101    HD2  ARG  12           1HD      ARG  12   6.249  -7.779   2.057
  102    HD3  ARG  12           2HD      ARG  12   7.287  -8.603   0.883
  103    HE   ARG  12           HE       ARG  12   8.670  -8.741   3.236
  104   HH11  ARG  12          1HH1      ARG  12   5.498  -9.696   2.169
  105   HH12  ARG  12          2HH1      ARG  12   5.390 -11.035   3.264
  106   HH21  ARG  12          1HH2      ARG  12   8.541 -10.501   4.681
  107   HH22  ARG  12          2HH2      ARG  12   7.121 -11.491   4.693
  108    H    ALA  13           H        ALA  13   7.559  -4.895  -1.953
  109    HA   ALA  13           HA       ALA  13   6.766  -2.231  -1.561
  110    HB1  ALA  13           1HB      ALA  13   5.765  -4.506  -3.188
  111    HB2  ALA  13           2HB      ALA  13   4.721  -3.099  -2.989
  112    HB3  ALA  13           3HB      ALA  13   6.327  -2.914  -3.695
  113    H    TYR  14           H        TYR  14   5.368  -1.316  -0.206
  114    HA   TYR  14           HA       TYR  14   3.636  -3.074   1.393
  115    HB2  TYR  14           1HB      TYR  14   5.441  -1.514   2.439
  116    HB3  TYR  14           2HB      TYR  14   4.274  -0.228   2.118
  117    HD1  TYR  14           1HD      TYR  14   1.809  -0.729   2.959
  118    HD2  TYR  14           2HD      TYR  14   5.321  -2.569   4.505
  119    HE1  TYR  14           1HE      TYR  14   0.610  -1.257   5.041
  120    HE2  TYR  14           2HE      TYR  14   4.132  -3.102   6.589
  121    HH   TYR  14           HH       TYR  14   2.261  -2.797   7.773
  122    H    CYS  15           H        CYS  15   1.758  -3.196   0.274
  123    HA   CYS  15           HA       CYS  15   0.516  -0.700  -0.645
  124    HB2  CYS  15           1HB      CYS  15  -0.237  -3.566  -1.253
  125    HB3  CYS  15           2HB      CYS  15  -0.956  -2.123  -1.988
  126    H    TYR  16           H        TYR  16  -1.775  -0.380  -0.260
  127    HA   TYR  16           HA       TYR  16  -3.029  -1.919   1.848
  128    HB2  TYR  16           1HB      TYR  16  -3.432   0.091   3.267
  129    HB3  TYR  16           2HB      TYR  16  -1.735  -0.399   3.197
  130    HD1  TYR  16           2HD      TYR  16  -0.119   0.894   1.807
  131    HD2  TYR  16           1HD      TYR  16  -4.100   2.241   2.469
  132    HE1  TYR  16           2HE      TYR  16   0.536   3.155   1.097
  133    HE2  TYR  16           1HE      TYR  16  -3.456   4.507   1.759
  134    HH   TYR  16           HH       TYR  16  -1.289   5.358   0.063
  135    H    MET  17           H        MET  17  -5.214  -0.795   2.432
  136    HA   MET  17           HA       MET  17  -6.445   0.015  -0.113
  137    HB2  MET  17           1HB      MET  17  -7.400  -1.573   2.234
  138    HB3  MET  17           2HB      MET  17  -8.585  -0.650   1.297
  139    HG2  MET  17           1HG      MET  17  -7.798  -1.810  -0.759
  140    HG3  MET  17           2HG      MET  17  -6.754  -2.798   0.263
  141    HE1  MET  17           3HE      MET  17 -10.804  -3.905  -0.987
  142    HE2  MET  17           1HE      MET  17 -10.337  -2.207  -1.080
  143    HE3  MET  17           2HE      MET  17  -9.327  -3.442  -1.833
  144    H    ASP  18           H        ASP  18  -6.200   2.218  -0.051
  145    HA   ASP  18           HA       ASP  18  -6.775   3.773   2.281
  146    HB2  ASP  18           1HB      ASP  18  -5.156   4.592   0.678
  147    HB3  ASP  18           2HB      ASP  18  -6.372   4.567  -0.607
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -8.942   3.073   2.763
    2    HA2  GLY   1           2HA      GLY   1 -11.213   2.774   2.621
    3    HA3  GLY   1           3HA      GLY   1 -11.199   4.175   1.561
    4    H    ARG   2           H        ARG   2 -11.992   3.851  -0.401
    5    HA   ARG   2           HA       ARG   2 -12.259   1.108  -1.375
    6    HB2  ARG   2           1HB      ARG   2 -13.619   3.708  -1.993
    7    HB3  ARG   2           2HB      ARG   2 -13.660   2.394  -3.177
    8    HG2  ARG   2           1HG      ARG   2 -15.069   1.121  -1.948
    9    HG3  ARG   2           2HG      ARG   2 -14.390   1.680  -0.410
   10    HD2  ARG   2           1HD      ARG   2 -15.637   3.895  -1.737
   11    HD3  ARG   2           2HD      ARG   2 -16.763   2.533  -1.680
   12    HE   ARG   2           HE       ARG   2 -15.817   4.093   0.546
   13   HH11  ARG   2          1HH1      ARG   2 -17.182   1.051  -0.456
   14   HH12  ARG   2          2HH1      ARG   2 -17.866   0.698   1.096
   15   HH21  ARG   2          1HH2      ARG   2 -16.711   3.640   2.594
   16   HH22  ARG   2          2HH2      ARG   2 -17.599   2.171   2.830
   17    H    TYR   3           H        TYR   3  -9.681   1.845  -1.502
   18    HA   TYR   3           HA       TYR   3  -9.147   1.748  -4.319
   19    HB2  TYR   3           1HB      TYR   3  -9.361   4.137  -4.158
   20    HB3  TYR   3           2HB      TYR   3  -8.334   4.183  -2.725
   21    HD1  TYR   3           2HD      TYR   3  -8.054   2.801  -6.195
   22    HD2  TYR   3           1HD      TYR   3  -6.226   5.031  -3.066
   23    HE1  TYR   3           2HE      TYR   3  -6.066   3.141  -7.605
   24    HE2  TYR   3           1HE      TYR   3  -4.235   5.377  -4.467
   25    HH   TYR   3           HH       TYR   3  -3.204   4.822  -6.371
   26    H    ARG   4           H        ARG   4  -7.048   1.051  -4.794
   27    HA   ARG   4           HA       ARG   4  -5.597  -0.006  -2.473
   28    HB2  ARG   4           1HB      ARG   4  -6.451  -1.486  -4.407
   29    HB3  ARG   4           2HB      ARG   4  -5.107  -0.797  -5.332
   30    HG2  ARG   4           1HG      ARG   4  -3.494  -1.846  -4.064
   31    HG3  ARG   4           2HG      ARG   4  -4.567  -2.013  -2.664
   32    HD2  ARG   4           1HD      ARG   4  -5.316  -4.011  -3.341
   33    HD3  ARG   4           2HD      ARG   4  -5.589  -3.420  -4.985
   34    HE   ARG   4           HE       ARG   4  -3.354  -4.931  -4.064
   35   HH11  ARG   4          1HH1      ARG   4  -4.342  -2.496  -6.349
   36   HH12  ARG   4          2HH1      ARG   4  -3.086  -2.866  -7.484
   37   HH21  ARG   4          1HH2      ARG   4  -1.695  -5.426  -5.551
   38   HH22  ARG   4          2HH2      ARG   4  -1.582  -4.534  -7.029
   39    H    ARG   5           H        ARG   5  -3.725   0.862  -1.887
   40    HA   ARG   5           HA       ARG   5  -2.275   2.513  -3.853
   41    HB2  ARG   5           1HB      ARG   5  -2.126   2.871  -0.862
   42    HB3  ARG   5           2HB      ARG   5  -1.618   3.997  -2.129
   43    HG2  ARG   5           1HG      ARG   5  -4.342   3.581  -2.592
   44    HG3  ARG   5           2HG      ARG   5  -4.172   3.734  -0.835
   45    HD2  ARG   5           1HD      ARG   5  -2.769   5.682  -2.631
   46    HD3  ARG   5           2HD      ARG   5  -4.500   5.865  -2.307
   47    HE   ARG   5           HE       ARG   5  -3.477   5.613   0.169
   48   HH11  ARG   5          1HH1      ARG   5  -2.616   7.621  -2.541
   49   HH12  ARG   5          2HH1      ARG   5  -2.024   8.919  -1.558
   50   HH21  ARG   5          1HH2      ARG   5  -2.699   7.314   1.474
   51   HH22  ARG   5          2HH2      ARG   5  -2.069   8.742   0.726
   52    H    CYS   6           H        CYS   6   0.053   2.586  -3.625
   53    HA   CYS   6           HA       CYS   6   1.241   0.366  -2.130
   54    HB2  CYS   6           1HB      CYS   6   1.415   0.825  -5.098
   55    HB3  CYS   6           2HB      CYS   6   2.685  -0.057  -4.230
   56    H    ILE   7           H        ILE   7   2.807   1.177  -0.920
   57    HA   ILE   7           HA       ILE   7   4.294   3.519  -1.916
   58    HB   ILE   7           HB       ILE   7   4.851   3.953   0.480
   59   HG12  ILE   7          1HG1      ILE   7   2.573   2.154   1.233
   60   HG13  ILE   7          2HG1      ILE   7   4.193   1.467   1.038
   61   HG21  ILE   7          1HG2      ILE   7   1.911   3.913  -0.194
   62   HG22  ILE   7          2HG2      ILE   7   2.676   4.911   1.042
   63   HG23  ILE   7          3HG2      ILE   7   3.062   5.166  -0.659
   64   HD11  ILE   7          3HD1      ILE   7   5.062   2.643   2.828
   65   HD12  ILE   7          1HD1      ILE   7   3.777   3.847   2.790
   66   HD13  ILE   7          2HD1      ILE   7   3.440   2.220   3.379
   67    HA   PRO   8           HA       PRO   8   8.045   1.235  -1.939
   68    HB2  PRO   8           1HB      PRO   8   9.850   3.185  -1.273
   69    HB3  PRO   8           2HB      PRO   8   9.035   3.107  -2.833
   70    HG2  PRO   8           1HG      PRO   8   8.354   4.738  -0.410
   71    HG3  PRO   8           2HG      PRO   8   8.414   5.239  -2.141
   72    HD2  PRO   8           1HD      PRO   8   6.088   4.691  -0.857
   73    HD3  PRO   8           2HD      PRO   8   6.336   4.342  -2.575
   74    H    GLY   9           H        GLY   9   8.766  -0.206  -0.509
   75    HA2  GLY   9           2HA      GLY   9   8.860   0.564   2.333
   76    HA3  GLY   9           3HA      GLY   9   8.686  -1.079   1.736
   77    H    MET  10           H        MET  10  10.467  -1.316   3.392
   78    HA   MET  10           HA       MET  10  13.087  -0.570   2.297
   79    HB2  MET  10           1HB      MET  10  12.246  -0.197   4.784
   80    HB3  MET  10           2HB      MET  10  12.790  -1.870   4.965
   81    HG2  MET  10           1HG      MET  10  15.008  -1.351   4.614
   82    HG3  MET  10           2HG      MET  10  14.619   0.114   3.710
   83    HE1  MET  10           3HE      MET  10  16.676  -0.578   5.763
   84    HE2  MET  10           1HE      MET  10  16.812   0.844   6.797
   85    HE3  MET  10           2HE      MET  10  16.133  -0.653   7.440
   86    H    PHE  11           H        PHE  11  11.014  -3.267   2.935
   87    HA   PHE  11           HA       PHE  11  13.160  -5.103   2.089
   88    HB2  PHE  11           1HB      PHE  11  10.685  -5.848   3.660
   89    HB3  PHE  11           2HB      PHE  11  12.094  -6.860   3.337
   90    HD1  PHE  11           1HD      PHE  11  14.337  -5.128   3.952
   91    HD2  PHE  11           2HD      PHE  11  10.609  -5.559   5.959
   92    HE1  PHE  11           1HE      PHE  11  15.384  -4.380   6.048
   93    HE2  PHE  11           2HE      PHE  11  11.649  -4.811   8.059
   94    HZ   PHE  11           HZ       PHE  11  14.038  -4.220   8.105
   95    H    ARG  12           H        ARG  12   9.738  -4.290   1.781
   96    HA   ARG  12           HA       ARG  12   9.729  -5.254  -0.940
   97    HB2  ARG  12           1HB      ARG  12   7.579  -6.611  -0.414
   98    HB3  ARG  12           2HB      ARG  12   9.158  -7.340  -0.094
   99    HG2  ARG  12           1HG      ARG  12   8.967  -6.729   2.278
  100    HG3  ARG  12           2HG      ARG  12   7.371  -6.039   1.950
  101    HD2  ARG  12           1HD      ARG  12   7.099  -8.530   0.870
  102    HD3  ARG  12           2HD      ARG  12   8.191  -8.843   2.225
  103    HE   ARG  12           HE       ARG  12   5.415  -8.213   2.378
  104   HH11  ARG  12          1HH1      ARG  12   8.458  -7.880   4.035
  105   HH12  ARG  12          2HH1      ARG  12   7.738  -7.750   5.606
  106   HH21  ARG  12          1HH2      ARG  12   4.454  -8.042   4.441
  107   HH22  ARG  12          2HH2      ARG  12   5.461  -7.842   5.835
  108    H    ALA  13           H        ALA  13   7.538  -4.875  -1.964
  109    HA   ALA  13           HA       ALA  13   6.761  -2.207  -1.561
  110    HB1  ALA  13           1HB      ALA  13   6.137  -4.328  -3.388
  111    HB2  ALA  13           2HB      ALA  13   4.660  -3.492  -2.908
  112    HB3  ALA  13           3HB      ALA  13   5.997  -2.583  -3.610
  113    H    TYR  14           H        TYR  14   5.392  -1.301  -0.173
  114    HA   TYR  14           HA       TYR  14   3.643  -3.057   1.406
  115    HB2  TYR  14           1HB      TYR  14   5.443  -1.491   2.455
  116    HB3  TYR  14           2HB      TYR  14   4.275  -0.209   2.126
  117    HD1  TYR  14           2HD      TYR  14   1.813  -0.703   2.967
  118    HD2  TYR  14           1HD      TYR  14   5.316  -2.553   4.515
  119    HE1  TYR  14           2HE      TYR  14   0.610  -1.226   5.048
  120    HE2  TYR  14           1HE      TYR  14   4.124  -3.083   6.601
  121    HH   TYR  14           HH       TYR  14   1.970  -3.295   7.486
  122    H    CYS  15           H        CYS  15   1.768  -3.186   0.287
  123    HA   CYS  15           HA       CYS  15   0.518  -0.697  -0.641
  124    HB2  CYS  15           1HB      CYS  15  -0.226  -3.565  -1.236
  125    HB3  CYS  15           2HB      CYS  15  -0.950  -2.128  -1.977
  126    H    TYR  16           H        TYR  16  -1.770  -0.378  -0.256
  127    HA   TYR  16           HA       TYR  16  -3.021  -1.911   1.858
  128    HB2  TYR  16           1HB      TYR  16  -3.428   0.110   3.268
  129    HB3  TYR  16           2HB      TYR  16  -1.735  -0.390   3.207
  130    HD1  TYR  16           1HD      TYR  16  -0.117   0.874   1.765
  131    HD2  TYR  16           2HD      TYR  16  -4.065   2.276   2.510
  132    HE1  TYR  16           1HE      TYR  16   0.554   3.128   1.046
  133    HE2  TYR  16           2HE      TYR  16  -3.404   4.534   1.791
  134    HH   TYR  16           HH       TYR  16  -0.215   5.490   1.439
  135    H    MET  17           H        MET  17  -5.209  -0.792   2.438
  136    HA   MET  17           HA       MET  17  -6.441   0.011  -0.107
  137    HB2  MET  17           1HB      MET  17  -7.395  -1.571   2.243
  138    HB3  MET  17           2HB      MET  17  -8.580  -0.652   1.302
  139    HG2  MET  17           1HG      MET  17  -7.787  -1.815  -0.752
  140    HG3  MET  17           2HG      MET  17  -6.749  -2.805   0.279
  141    HE1  MET  17           3HE      MET  17  -7.684  -5.095  -0.419
  142    HE2  MET  17           1HE      MET  17  -9.401  -5.470  -0.564
  143    HE3  MET  17           2HE      MET  17  -8.664  -4.281  -1.637
  144    H    ASP  18           H        ASP  18  -6.196   2.216  -0.052
  145    HA   ASP  18           HA       ASP  18  -6.776   3.773   2.276
  146    HB2  ASP  18           1HB      ASP  18  -5.158   4.589   0.668
  147    HB3  ASP  18           2HB      ASP  18  -6.376   4.565  -0.616
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -8.932   3.082   2.757
    2    HA2  GLY   1           2HA      GLY   1 -11.204   2.789   2.617
    3    HA3  GLY   1           3HA      GLY   1 -11.189   4.188   1.554
    4    H    ARG   2           H        ARG   2 -11.995   3.857  -0.399
    5    HA   ARG   2           HA       ARG   2 -12.251   1.112  -1.373
    6    HB2  ARG   2           1HB      ARG   2 -13.617   3.709  -1.988
    7    HB3  ARG   2           2HB      ARG   2 -13.660   2.395  -3.176
    8    HG2  ARG   2           1HG      ARG   2 -14.331   1.233  -0.701
    9    HG3  ARG   2           2HG      ARG   2 -15.240   2.749  -0.818
   10    HD2  ARG   2           1HD      ARG   2 -15.142   0.735  -3.063
   11    HD3  ARG   2           2HD      ARG   2 -16.355   0.680  -1.776
   12    HE   ARG   2           HE       ARG   2 -16.530   3.224  -2.709
   13   HH11  ARG   2          1HH1      ARG   2 -16.665   0.082  -4.201
   14   HH12  ARG   2          2HH1      ARG   2 -17.728   0.587  -5.472
   15   HH21  ARG   2          1HH2      ARG   2 -17.929   3.902  -4.378
   16   HH22  ARG   2          2HH2      ARG   2 -18.446   2.761  -5.571
   17    H    TYR   3           H        TYR   3  -9.677   1.852  -1.507
   18    HA   TYR   3           HA       TYR   3  -9.152   1.761  -4.327
   19    HB2  TYR   3           1HB      TYR   3  -9.365   4.149  -4.151
   20    HB3  TYR   3           2HB      TYR   3  -8.324   4.187  -2.726
   21    HD1  TYR   3           2HD      TYR   3  -8.081   2.823  -6.207
   22    HD2  TYR   3           1HD      TYR   3  -6.216   5.033  -3.085
   23    HE1  TYR   3           2HE      TYR   3  -6.108   3.165  -7.634
   24    HE2  TYR   3           1HE      TYR   3  -4.238   5.382  -4.505
   25    HH   TYR   3           HH       TYR   3  -3.436   3.677  -6.990
   26    H    ARG   4           H        ARG   4  -7.051   1.070  -4.810
   27    HA   ARG   4           HA       ARG   4  -5.607  -0.022  -2.502
   28    HB2  ARG   4           1HB      ARG   4  -6.437  -1.457  -4.481
   29    HB3  ARG   4           2HB      ARG   4  -5.086  -0.743  -5.374
   30    HG2  ARG   4           1HG      ARG   4  -3.848  -2.419  -4.597
   31    HG3  ARG   4           2HG      ARG   4  -3.911  -1.590  -3.033
   32    HD2  ARG   4           1HD      ARG   4  -5.981  -2.849  -2.482
   33    HD3  ARG   4           2HD      ARG   4  -5.803  -3.726  -4.009
   34    HE   ARG   4           HE       ARG   4  -3.418  -4.109  -2.745
   35   HH11  ARG   4          1HH1      ARG   4  -6.755  -4.642  -1.902
   36   HH12  ARG   4          2HH1      ARG   4  -6.414  -5.991  -0.869
   37   HH21  ARG   4          1HH2      ARG   4  -2.957  -5.885  -1.391
   38   HH22  ARG   4          2HH2      ARG   4  -4.254  -6.697  -0.578
   39    H    ARG   5           H        ARG   5  -3.751   0.851  -1.877
   40    HA   ARG   5           HA       ARG   5  -2.294   2.557  -3.790
   41    HB2  ARG   5           1HB      ARG   5  -2.127   2.831  -0.793
   42    HB3  ARG   5           2HB      ARG   5  -1.671   4.006  -2.035
   43    HG2  ARG   5           1HG      ARG   5  -4.318   3.710  -2.566
   44    HG3  ARG   5           2HG      ARG   5  -4.282   3.477  -0.811
   45    HD2  ARG   5           1HD      ARG   5  -4.637   5.833  -1.388
   46    HD3  ARG   5           2HD      ARG   5  -3.109   5.592  -0.532
   47    HE   ARG   5           HE       ARG   5  -2.496   5.469  -3.217
   48   HH11  ARG   5          1HH1      ARG   5  -3.883   7.794  -1.029
   49   HH12  ARG   5          2HH1      ARG   5  -3.297   9.167  -1.909
   50   HH21  ARG   5          1HH2      ARG   5  -1.719   7.269  -4.385
   51   HH22  ARG   5          2HH2      ARG   5  -2.065   8.866  -3.818
   52    H    CYS   6           H        CYS   6   0.026   2.613  -3.584
   53    HA   CYS   6           HA       CYS   6   1.229   0.375  -2.127
   54    HB2  CYS   6           1HB      CYS   6   1.371   0.868  -5.088
   55    HB3  CYS   6           2HB      CYS   6   2.658  -0.012  -4.249
   56    H    ILE   7           H        ILE   7   2.801   1.173  -0.918
   57    HA   ILE   7           HA       ILE   7   4.282   3.523  -1.900
   58    HB   ILE   7           HB       ILE   7   4.849   3.939   0.499
   59   HG12  ILE   7          1HG1      ILE   7   2.554   2.192   1.283
   60   HG13  ILE   7          2HG1      ILE   7   4.131   1.431   1.006
   61   HG21  ILE   7          1HG2      ILE   7   2.811   5.042   0.998
   62   HG22  ILE   7          2HG2      ILE   7   2.967   5.044  -0.758
   63   HG23  ILE   7          3HG2      ILE   7   1.877   3.903   0.028
   64   HD11  ILE   7          3HD1      ILE   7   4.681   1.946   3.082
   65   HD12  ILE   7          1HD1      ILE   7   4.659   3.646   2.618
   66   HD13  ILE   7          2HD1      ILE   7   3.211   2.895   3.288
   67    HA   PRO   8           HA       PRO   8   8.033   1.239  -1.948
   68    HB2  PRO   8           1HB      PRO   8   9.842   3.179  -1.271
   69    HB3  PRO   8           2HB      PRO   8   9.023   3.113  -2.830
   70    HG2  PRO   8           1HG      PRO   8   8.349   4.729  -0.394
   71    HG3  PRO   8           2HG      PRO   8   8.406   5.241  -2.121
   72    HD2  PRO   8           1HD      PRO   8   6.082   4.687  -0.835
   73    HD3  PRO   8           2HD      PRO   8   6.325   4.351  -2.557
   74    H    GLY   9           H        GLY   9   8.756  -0.214  -0.531
   75    HA2  GLY   9           2HA      GLY   9   8.847   0.528   2.319
   76    HA3  GLY   9           3HA      GLY   9   8.690  -1.110   1.701
   77    H    MET  10           H        MET  10  10.475  -1.291   3.390
   78    HA   MET  10           HA       MET  10  13.087  -0.537   2.291
   79    HB2  MET  10           1HB      MET  10  12.240  -0.166   4.775
   80    HB3  MET  10           2HB      MET  10  12.799  -1.836   4.960
   81    HG2  MET  10           1HG      MET  10  15.031  -1.221   4.242
   82    HG3  MET  10           2HG      MET  10  14.489   0.432   3.936
   83    HE1  MET  10           3HE      MET  10  16.399   1.540   6.981
   84    HE2  MET  10           1HE      MET  10  16.831   0.761   5.460
   85    HE3  MET  10           2HE      MET  10  15.639   2.059   5.476
   86    H    PHE  11           H        PHE  11  11.041  -3.254   2.929
   87    HA   PHE  11           HA       PHE  11  13.204  -5.068   2.080
   88    HB2  PHE  11           1HB      PHE  11  10.749  -5.839   3.671
   89    HB3  PHE  11           2HB      PHE  11  12.167  -6.834   3.340
   90    HD1  PHE  11           1HD      PHE  11  10.928  -3.960   5.269
   91    HD2  PHE  11           2HD      PHE  11  14.157  -6.659   4.631
   92    HE1  PHE  11           1HE      PHE  11  11.977  -3.192   7.357
   93    HE2  PHE  11           2HE      PHE  11  15.212  -5.895   6.718
   94    HZ   PHE  11           HZ       PHE  11  14.122  -4.162   8.086
   95    H    ARG  12           H        ARG  12   9.772  -4.294   1.793
   96    HA   ARG  12           HA       ARG  12   9.753  -5.277  -0.923
   97    HB2  ARG  12           1HB      ARG  12   7.612  -6.638  -0.374
   98    HB3  ARG  12           2HB      ARG  12   9.197  -7.357  -0.054
   99    HG2  ARG  12           1HG      ARG  12   8.957  -7.273   2.211
  100    HG3  ARG  12           2HG      ARG  12   7.904  -5.849   2.147
  101    HD2  ARG  12           1HD      ARG  12   6.009  -7.075   1.882
  102    HD3  ARG  12           2HD      ARG  12   6.833  -8.309   0.917
  103    HE   ARG  12           HE       ARG  12   7.596  -8.326   3.688
  104   HH11  ARG  12          1HH1      ARG  12   5.283  -9.466   1.348
  105   HH12  ARG  12          2HH1      ARG  12   4.822 -10.850   2.284
  106   HH21  ARG  12          1HH2      ARG  12   6.996 -10.143   4.931
  107   HH22  ARG  12          2HH2      ARG  12   5.796 -11.233   4.322
  108    H    ALA  13           H        ALA  13   7.556  -4.916  -1.939
  109    HA   ALA  13           HA       ALA  13   6.769  -2.248  -1.557
  110    HB1  ALA  13           1HB      ALA  13   6.541  -3.601  -3.663
  111    HB2  ALA  13           2HB      ALA  13   5.127  -4.362  -2.933
  112    HB3  ALA  13           3HB      ALA  13   5.134  -2.626  -3.236
  113    H    TYR  14           H        TYR  14   5.354  -1.321  -0.220
  114    HA   TYR  14           HA       TYR  14   3.629  -3.073   1.394
  115    HB2  TYR  14           1HB      TYR  14   5.440  -1.510   2.431
  116    HB3  TYR  14           2HB      TYR  14   4.271  -0.229   2.112
  117    HD1  TYR  14           2HD      TYR  14   1.800  -0.763   2.949
  118    HD2  TYR  14           1HD      TYR  14   5.338  -2.536   4.512
  119    HE1  TYR  14           2HE      TYR  14   0.608  -1.288   5.036
  120    HE2  TYR  14           1HE      TYR  14   4.157  -3.066   6.602
  121    HH   TYR  14           HH       TYR  14   1.150  -1.735   7.402
  122    H    CYS  15           H        CYS  15   1.750  -3.194   0.278
  123    HA   CYS  15           HA       CYS  15   0.510  -0.695  -0.637
  124    HB2  CYS  15           1HB      CYS  15  -0.236  -3.556  -1.264
  125    HB3  CYS  15           2HB      CYS  15  -0.961  -2.113  -1.988
  126    H    TYR  16           H        TYR  16  -1.782  -0.378  -0.257
  127    HA   TYR  16           HA       TYR  16  -3.037  -1.930   1.841
  128    HB2  TYR  16           1HB      TYR  16  -3.458   0.105   3.250
  129    HB3  TYR  16           2HB      TYR  16  -1.778  -0.438   3.227
  130    HD1  TYR  16           2HD      TYR  16  -0.042   0.865   2.131
  131    HD2  TYR  16           1HD      TYR  16  -4.079   2.207   2.174
  132    HE1  TYR  16           2HE      TYR  16   0.700   3.103   1.434
  133    HE2  TYR  16           1HE      TYR  16  -3.349   4.449   1.475
  134    HH   TYR  16           HH       TYR  16  -1.410   5.830   1.454
  135    H    MET  17           H        MET  17  -5.225  -0.809   2.429
  136    HA   MET  17           HA       MET  17  -6.455   0.001  -0.115
  137    HB2  MET  17           1HB      MET  17  -7.411  -1.573   2.239
  138    HB3  MET  17           2HB      MET  17  -8.595  -0.645   1.305
  139    HG2  MET  17           1HG      MET  17  -6.701  -2.631   0.058
  140    HG3  MET  17           2HG      MET  17  -8.315  -3.047   0.638
  141    HE1  MET  17           3HE      MET  17 -10.133  -3.351  -1.223
  142    HE2  MET  17           1HE      MET  17 -10.486  -1.969  -0.185
  143    HE3  MET  17           2HE      MET  17 -10.712  -1.842  -1.928
  144    H    ASP  18           H        ASP  18  -6.195   2.206  -0.063
  145    HA   ASP  18           HA       ASP  18  -6.761   3.773   2.262
  146    HB2  ASP  18           1HB      ASP  18  -5.143   4.557   0.622
  147    HB3  ASP  18           2HB      ASP  18  -6.392   4.572  -0.632
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -8.930   3.081   2.757
    2    HA2  GLY   1           2HA      GLY   1 -11.201   2.793   2.617
    3    HA3  GLY   1           3HA      GLY   1 -11.186   4.189   1.551
    4    H    ARG   2           H        ARG   2 -11.990   3.854  -0.404
    5    HA   ARG   2           HA       ARG   2 -12.246   1.105  -1.369
    6    HB2  ARG   2           1HB      ARG   2 -13.616   3.701  -1.991
    7    HB3  ARG   2           2HB      ARG   2 -13.657   2.383  -3.175
    8    HG2  ARG   2           1HG      ARG   2 -14.488   0.929  -1.205
    9    HG3  ARG   2           2HG      ARG   2 -14.845   2.483  -0.433
   10    HD2  ARG   2           1HD      ARG   2 -15.832   1.723  -3.188
   11    HD3  ARG   2           2HD      ARG   2 -16.754   1.451  -1.703
   12    HE   ARG   2           HE       ARG   2 -15.908   4.166  -1.957
   13   HH11  ARG   2          1HH1      ARG   2 -18.294   1.855  -2.996
   14   HH12  ARG   2          2HH1      ARG   2 -19.502   3.054  -3.319
   15   HH21  ARG   2          1HH2      ARG   2 -17.490   5.754  -2.379
   16   HH22  ARG   2          2HH2      ARG   2 -19.044   5.271  -2.969
   17    H    TYR   3           H        TYR   3  -9.673   1.848  -1.505
   18    HA   TYR   3           HA       TYR   3  -9.149   1.752  -4.325
   19    HB2  TYR   3           1HB      TYR   3  -9.362   4.142  -4.152
   20    HB3  TYR   3           2HB      TYR   3  -8.318   4.180  -2.729
   21    HD1  TYR   3           2HD      TYR   3  -8.080   2.811  -6.207
   22    HD2  TYR   3           1HD      TYR   3  -6.212   5.026  -3.091
   23    HE1  TYR   3           2HE      TYR   3  -6.109   3.150  -7.637
   24    HE2  TYR   3           1HE      TYR   3  -4.235   5.372  -4.513
   25    HH   TYR   3           HH       TYR   3  -4.171   4.257  -7.870
   26    H    ARG   4           H        ARG   4  -7.048   1.061  -4.808
   27    HA   ARG   4           HA       ARG   4  -5.602  -0.028  -2.498
   28    HB2  ARG   4           1HB      ARG   4  -6.428  -1.484  -4.451
   29    HB3  ARG   4           2HB      ARG   4  -5.111  -0.751  -5.379
   30    HG2  ARG   4           1HG      ARG   4  -3.965  -1.611  -2.958
   31    HG3  ARG   4           2HG      ARG   4  -5.018  -2.920  -3.519
   32    HD2  ARG   4           1HD      ARG   4  -3.081  -1.553  -5.377
   33    HD3  ARG   4           2HD      ARG   4  -2.592  -2.902  -4.341
   34    HE   ARG   4           HE       ARG   4  -4.902  -3.636  -5.759
   35   HH11  ARG   4          1HH1      ARG   4  -1.527  -2.972  -6.288
   36   HH12  ARG   4          2HH1      ARG   4  -1.402  -4.020  -7.665
   37   HH21  ARG   4          1HH2      ARG   4  -4.751  -5.020  -7.565
   38   HH22  ARG   4          2HH2      ARG   4  -3.239  -5.184  -8.389
   39    H    ARG   5           H        ARG   5  -3.751   0.855  -1.875
   40    HA   ARG   5           HA       ARG   5  -2.293   2.555  -3.790
   41    HB2  ARG   5           1HB      ARG   5  -2.124   2.831  -0.794
   42    HB3  ARG   5           2HB      ARG   5  -1.670   4.005  -2.038
   43    HG2  ARG   5           1HG      ARG   5  -4.317   3.706  -2.566
   44    HG3  ARG   5           2HG      ARG   5  -4.277   3.479  -0.811
   45    HD2  ARG   5           1HD      ARG   5  -4.635   5.836  -1.395
   46    HD3  ARG   5           2HD      ARG   5  -3.105   5.596  -0.540
   47    HE   ARG   5           HE       ARG   5  -2.611   5.473  -3.295
   48   HH11  ARG   5          1HH1      ARG   5  -3.564   7.766  -0.857
   49   HH12  ARG   5          2HH1      ARG   5  -2.877   9.127  -1.682
   50   HH21  ARG   5          1HH2      ARG   5  -1.703   7.254  -4.391
   51   HH22  ARG   5          2HH2      ARG   5  -1.819   8.835  -3.692
   52    H    CYS   6           H        CYS   6   0.027   2.612  -3.587
   53    HA   CYS   6           HA       CYS   6   1.230   0.375  -2.130
   54    HB2  CYS   6           1HB      CYS   6   1.368   0.867  -5.094
   55    HB3  CYS   6           2HB      CYS   6   2.658  -0.011  -4.253
   56    H    ILE   7           H        ILE   7   2.806   1.174  -0.924
   57    HA   ILE   7           HA       ILE   7   4.287   3.524  -1.909
   58    HB   ILE   7           HB       ILE   7   4.848   3.947   0.488
   59   HG12  ILE   7          1HG1      ILE   7   2.583   2.094   1.183
   60   HG13  ILE   7          2HG1      ILE   7   4.244   1.486   1.084
   61   HG21  ILE   7          1HG2      ILE   7   2.966   5.046  -0.773
   62   HG22  ILE   7          2HG2      ILE   7   1.878   3.904   0.015
   63   HG23  ILE   7          3HG2      ILE   7   2.806   5.047   0.983
   64   HD11  ILE   7          3HD1      ILE   7   4.251   1.993   3.273
   65   HD12  ILE   7          1HD1      ILE   7   4.662   3.598   2.667
   66   HD13  ILE   7          2HD1      ILE   7   2.995   3.220   3.107
   67    HA   PRO   8           HA       PRO   8   8.034   1.235  -1.946
   68    HB2  PRO   8           1HB      PRO   8   9.845   3.179  -1.274
   69    HB3  PRO   8           2HB      PRO   8   9.027   3.108  -2.834
   70    HG2  PRO   8           1HG      PRO   8   8.351   4.730  -0.405
   71    HG3  PRO   8           2HG      PRO   8   8.411   5.236  -2.133
   72    HD2  PRO   8           1HD      PRO   8   6.086   4.689  -0.847
   73    HD3  PRO   8           2HD      PRO   8   6.330   4.346  -2.569
   74    H    GLY   9           H        GLY   9   8.756  -0.214  -0.522
   75    HA2  GLY   9           2HA      GLY   9   8.847   0.542   2.323
   76    HA3  GLY   9           3HA      GLY   9   8.684  -1.099   1.715
   77    H    MET  10           H        MET  10  10.468  -1.300   3.391
   78    HA   MET  10           HA       MET  10  13.082  -0.548   2.295
   79    HB2  MET  10           1HB      MET  10  12.239  -0.173   4.779
   80    HB3  MET  10           2HB      MET  10  12.791  -1.845   4.965
   81    HG2  MET  10           1HG      MET  10  15.023  -1.281   4.373
   82    HG3  MET  10           2HG      MET  10  14.528   0.332   3.847
   83    HE1  MET  10           3HE      MET  10  15.695   2.334   6.230
   84    HE2  MET  10           1HE      MET  10  16.877   1.035   6.397
   85    HE3  MET  10           2HE      MET  10  16.169   1.384   4.821
   86    H    PHE  11           H        PHE  11  11.026  -3.258   2.928
   87    HA   PHE  11           HA       PHE  11  13.184  -5.081   2.086
   88    HB2  PHE  11           1HB      PHE  11  10.718  -5.842   3.671
   89    HB3  PHE  11           2HB      PHE  11  12.134  -6.843   3.342
   90    HD1  PHE  11           1HD      PHE  11  14.371  -5.109   3.945
   91    HD2  PHE  11           2HD      PHE  11  10.648  -5.533   5.963
   92    HE1  PHE  11           1HE      PHE  11  15.423  -4.349   6.036
   93    HE2  PHE  11           2HE      PHE  11  11.693  -4.774   8.057
   94    HZ   PHE  11           HZ       PHE  11  14.084  -4.181   8.096
   95    H    ARG  12           H        ARG  12   9.755  -4.292   1.786
   96    HA   ARG  12           HA       ARG  12   9.745  -5.269  -0.930
   97    HB2  ARG  12           1HB      ARG  12   7.599  -6.628  -0.390
   98    HB3  ARG  12           2HB      ARG  12   9.182  -7.350  -0.072
   99    HG2  ARG  12           1HG      ARG  12   9.011  -6.897   2.272
  100    HG3  ARG  12           2HG      ARG  12   7.530  -5.959   2.021
  101    HD2  ARG  12           1HD      ARG  12   7.193  -8.560   0.861
  102    HD3  ARG  12           2HD      ARG  12   7.779  -8.728   2.521
  103    HE   ARG  12           HE       ARG  12   5.644  -6.849   2.342
  104   HH11  ARG  12          1HH1      ARG  12   6.380 -10.250   2.442
  105   HH12  ARG  12          2HH1      ARG  12   4.843 -10.695   3.108
  106   HH21  ARG  12          1HH2      ARG  12   3.617  -7.424   3.221
  107   HH22  ARG  12          2HH2      ARG  12   3.273  -9.088   3.551
  108    H    ALA  13           H        ALA  13   7.549  -4.902  -1.952
  109    HA   ALA  13           HA       ALA  13   6.764  -2.234  -1.564
  110    HB1  ALA  13           1HB      ALA  13   4.840  -2.863  -3.081
  111    HB2  ALA  13           2HB      ALA  13   6.459  -3.167  -3.711
  112    HB3  ALA  13           3HB      ALA  13   5.495  -4.501  -3.080
  113    H    TYR  14           H        TYR  14   5.373  -1.314  -0.203
  114    HA   TYR  14           HA       TYR  14   3.636  -3.068   1.397
  115    HB2  TYR  14           1HB      TYR  14   5.444  -1.508   2.438
  116    HB3  TYR  14           2HB      TYR  14   4.279  -0.224   2.116
  117    HD1  TYR  14           1HD      TYR  14   1.807  -0.741   2.949
  118    HD2  TYR  14           2HD      TYR  14   5.331  -2.539   4.516
  119    HE1  TYR  14           1HE      TYR  14   0.607  -1.263   5.033
  120    HE2  TYR  14           2HE      TYR  14   4.141  -3.066   6.604
  121    HH   TYR  14           HH       TYR  14   0.689  -2.494   6.946
  122    H    CYS  15           H        CYS  15   1.756  -3.189   0.281
  123    HA   CYS  15           HA       CYS  15   0.514  -0.691  -0.636
  124    HB2  CYS  15           1HB      CYS  15  -0.229  -3.555  -1.259
  125    HB3  CYS  15           2HB      CYS  15  -0.955  -2.110  -1.985
  126    H    TYR  16           H        TYR  16  -1.776  -0.376  -0.254
  127    HA   TYR  16           HA       TYR  16  -3.031  -1.926   1.846
  128    HB2  TYR  16           1HB      TYR  16  -3.452   0.112   3.251
  129    HB3  TYR  16           2HB      TYR  16  -1.772  -0.430   3.229
  130    HD1  TYR  16           2HD      TYR  16  -0.036   0.869   2.127
  131    HD2  TYR  16           1HD      TYR  16  -4.073   2.215   2.176
  132    HE1  TYR  16           2HE      TYR  16   0.706   3.106   1.425
  133    HE2  TYR  16           1HE      TYR  16  -3.341   4.454   1.474
  134    HH   TYR  16           HH       TYR  16  -1.110   5.315   0.098
  135    H    MET  17           H        MET  17  -5.218  -0.805   2.433
  136    HA   MET  17           HA       MET  17  -6.450   0.002  -0.112
  137    HB2  MET  17           1HB      MET  17  -7.403  -1.571   2.245
  138    HB3  MET  17           2HB      MET  17  -8.589  -0.647   1.309
  139    HG2  MET  17           1HG      MET  17  -7.817  -1.814  -0.748
  140    HG3  MET  17           2HG      MET  17  -6.772  -2.806   0.271
  141    HE1  MET  17           3HE      MET  17  -9.864  -3.675  -1.672
  142    HE2  MET  17           1HE      MET  17 -11.154  -3.194  -0.570
  143    HE3  MET  17           2HE      MET  17  -9.991  -1.996  -1.143
  144    H    ASP  18           H        ASP  18  -6.191   2.206  -0.059
  145    HA   ASP  18           HA       ASP  18  -6.760   3.774   2.264
  146    HB2  ASP  18           1HB      ASP  18  -5.142   4.557   0.623
  147    HB3  ASP  18           2HB      ASP  18  -6.391   4.575  -0.630
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -8.927   3.086   2.754
    2    HA2  GLY   1           2HA      GLY   1 -11.199   2.795   2.615
    3    HA3  GLY   1           3HA      GLY   1 -11.185   4.189   1.547
    4    H    ARG   2           H        ARG   2 -11.988   3.854  -0.408
    5    HA   ARG   2           HA       ARG   2 -12.247   1.104  -1.370
    6    HB2  ARG   2           1HB      ARG   2 -13.616   3.698  -1.996
    7    HB3  ARG   2           2HB      ARG   2 -13.658   2.380  -3.174
    8    HG2  ARG   2           1HG      ARG   2 -15.560   1.870  -2.061
    9    HG3  ARG   2           2HG      ARG   2 -14.412   1.009  -1.022
   10    HD2  ARG   2           1HD      ARG   2 -15.030   3.882  -0.450
   11    HD3  ARG   2           2HD      ARG   2 -16.191   2.630   0.013
   12    HE   ARG   2           HE       ARG   2 -13.689   1.834   0.942
   13   HH11  ARG   2          1HH1      ARG   2 -15.995   4.386   1.481
   14   HH12  ARG   2          2HH1      ARG   2 -15.540   4.626   3.136
   15   HH21  ARG   2          1HH2      ARG   2 -13.082   2.139   3.119
   16   HH22  ARG   2          2HH2      ARG   2 -13.883   3.346   4.066
   17    H    TYR   3           H        TYR   3  -9.673   1.845  -1.507
   18    HA   TYR   3           HA       TYR   3  -9.149   1.742  -4.327
   19    HB2  TYR   3           1HB      TYR   3  -9.363   4.132  -4.160
   20    HB3  TYR   3           2HB      TYR   3  -8.320   4.176  -2.736
   21    HD1  TYR   3           2HD      TYR   3  -8.079   2.799  -6.210
   22    HD2  TYR   3           1HD      TYR   3  -6.214   5.021  -3.098
   23    HE1  TYR   3           2HE      TYR   3  -6.107   3.136  -7.640
   24    HE2  TYR   3           1HE      TYR   3  -4.238   5.365  -4.520
   25    HH   TYR   3           HH       TYR   3  -3.403   5.160  -6.594
   26    H    ARG   4           H        ARG   4  -7.047   1.052  -4.808
   27    HA   ARG   4           HA       ARG   4  -5.603  -0.030  -2.497
   28    HB2  ARG   4           1HB      ARG   4  -6.419  -1.505  -4.421
   29    HB3  ARG   4           2HB      ARG   4  -5.139  -0.754  -5.383
   30    HG2  ARG   4           1HG      ARG   4  -3.431  -1.691  -4.083
   31    HG3  ARG   4           2HG      ARG   4  -4.547  -2.087  -2.766
   32    HD2  ARG   4           1HD      ARG   4  -5.711  -3.667  -4.369
   33    HD3  ARG   4           2HD      ARG   4  -4.354  -3.394  -5.470
   34    HE   ARG   4           HE       ARG   4  -3.242  -4.136  -3.053
   35   HH11  ARG   4          1HH1      ARG   4  -5.409  -5.519  -5.401
   36   HH12  ARG   4          2HH1      ARG   4  -4.935  -7.154  -5.067
   37   HH21  ARG   4          1HH2      ARG   4  -2.612  -6.282  -2.604
   38   HH22  ARG   4          2HH2      ARG   4  -3.347  -7.585  -3.476
   39    H    ARG   5           H        ARG   5  -3.746   0.847  -1.876
   40    HA   ARG   5           HA       ARG   5  -2.291   2.548  -3.794
   41    HB2  ARG   5           1HB      ARG   5  -2.122   2.830  -0.798
   42    HB3  ARG   5           2HB      ARG   5  -1.669   4.002  -2.045
   43    HG2  ARG   5           1HG      ARG   5  -4.315   3.706  -2.576
   44    HG3  ARG   5           2HG      ARG   5  -4.279   3.474  -0.819
   45    HD2  ARG   5           1HD      ARG   5  -4.636   5.831  -1.395
   46    HD3  ARG   5           2HD      ARG   5  -3.103   5.591  -0.545
   47    HE   ARG   5           HE       ARG   5  -2.657   5.481  -3.323
   48   HH11  ARG   5          1HH1      ARG   5  -3.462   7.742  -0.800
   49   HH12  ARG   5          2HH1      ARG   5  -2.745   9.097  -1.606
   50   HH21  ARG   5          1HH2      ARG   5  -1.708   7.260  -4.393
   51   HH22  ARG   5          2HH2      ARG   5  -1.748   8.821  -3.650
   52    H    CYS   6           H        CYS   6   0.029   2.606  -3.589
   53    HA   CYS   6           HA       CYS   6   1.233   0.374  -2.126
   54    HB2  CYS   6           1HB      CYS   6   1.375   0.859  -5.089
   55    HB3  CYS   6           2HB      CYS   6   2.663  -0.018  -4.246
   56    H    ILE   7           H        ILE   7   2.806   1.177  -0.919
   57    HA   ILE   7           HA       ILE   7   4.287   3.523  -1.909
   58    HB   ILE   7           HB       ILE   7   4.848   3.951   0.488
   59   HG12  ILE   7          1HG1      ILE   7   2.562   2.183   1.261
   60   HG13  ILE   7          2HG1      ILE   7   4.158   1.453   1.021
   61   HG21  ILE   7          1HG2      ILE   7   2.971   5.054  -0.770
   62   HG22  ILE   7          2HG2      ILE   7   1.878   3.907   0.003
   63   HG23  ILE   7          3HG2      ILE   7   2.800   5.046   0.985
   64   HD11  ILE   7          3HD1      ILE   7   5.124   2.796   2.732
   65   HD12  ILE   7          1HD1      ILE   7   3.654   3.758   2.881
   66   HD13  ILE   7          2HD1      ILE   7   3.655   2.065   3.377
   67    HA   PRO   8           HA       PRO   8   8.037   1.238  -1.943
   68    HB2  PRO   8           1HB      PRO   8   9.845   3.183  -1.275
   69    HB3  PRO   8           2HB      PRO   8   9.027   3.110  -2.834
   70    HG2  PRO   8           1HG      PRO   8   8.351   4.738  -0.406
   71    HG3  PRO   8           2HG      PRO   8   8.410   5.241  -2.136
   72    HD2  PRO   8           1HD      PRO   8   6.084   4.692  -0.849
   73    HD3  PRO   8           2HD      PRO   8   6.330   4.347  -2.569
   74    H    GLY   9           H        GLY   9   8.759  -0.208  -0.517
   75    HA2  GLY   9           2HA      GLY   9   8.852   0.554   2.327
   76    HA3  GLY   9           3HA      GLY   9   8.685  -1.088   1.722
   77    H    MET  10           H        MET  10  10.468  -1.315   3.384
   78    HA   MET  10           HA       MET  10  13.084  -0.559   2.292
   79    HB2  MET  10           1HB      MET  10  12.241  -0.189   4.777
   80    HB3  MET  10           2HB      MET  10  12.792  -1.864   4.958
   81    HG2  MET  10           1HG      MET  10  14.828  -1.067   5.336
   82    HG3  MET  10           2HG      MET  10  14.873  -0.614   3.631
   83    HE1  MET  10           3HE      MET  10  12.490   1.591   3.691
   84    HE2  MET  10           1HE      MET  10  13.413   3.082   3.869
   85    HE3  MET  10           2HE      MET  10  13.966   1.831   2.756
   86    H    PHE  11           H        PHE  11  11.024  -3.266   2.928
   87    HA   PHE  11           HA       PHE  11  13.177  -5.092   2.076
   88    HB2  PHE  11           1HB      PHE  11  10.711  -5.850   3.659
   89    HB3  PHE  11           2HB      PHE  11  12.126  -6.854   3.329
   90    HD1  PHE  11           1HD      PHE  11  14.417  -5.407   4.010
   91    HD2  PHE  11           2HD      PHE  11  10.594  -5.263   5.877
   92    HE1  PHE  11           1HE      PHE  11  15.471  -4.655   6.103
   93    HE2  PHE  11           2HE      PHE  11  11.642  -4.510   7.971
   94    HZ   PHE  11           HZ       PHE  11  14.083  -4.204   8.086
   95    H    ARG  12           H        ARG  12   9.749  -4.297   1.784
   96    HA   ARG  12           HA       ARG  12   9.731  -5.270  -0.935
   97    HB2  ARG  12           1HB      ARG  12   7.581  -6.622  -0.396
   98    HB3  ARG  12           2HB      ARG  12   9.163  -7.351  -0.076
   99    HG2  ARG  12           1HG      ARG  12   8.991  -6.891   2.271
  100    HG3  ARG  12           2HG      ARG  12   7.512  -5.952   2.013
  101    HD2  ARG  12           1HD      ARG  12   6.338  -7.816   2.360
  102    HD3  ARG  12           2HD      ARG  12   7.006  -8.435   0.844
  103    HE   ARG  12           HE       ARG  12   8.854  -8.873   2.923
  104   HH11  ARG  12          1HH1      ARG  12   5.761  -9.986   1.776
  105   HH12  ARG  12          2HH1      ARG  12   5.939 -11.576   2.442
  106   HH21  ARG  12          1HH2      ARG  12   9.102 -10.963   3.805
  107   HH22  ARG  12          2HH2      ARG  12   7.840 -12.129   3.597
  108    H    ALA  13           H        ALA  13   7.537  -4.893  -1.954
  109    HA   ALA  13           HA       ALA  13   6.761  -2.224  -1.560
  110    HB1  ALA  13           1HB      ALA  13   6.479  -3.896  -3.597
  111    HB2  ALA  13           2HB      ALA  13   4.873  -4.083  -2.894
  112    HB3  ALA  13           3HB      ALA  13   5.437  -2.489  -3.392
  113    H    TYR  14           H        TYR  14   5.384  -1.309  -0.185
  114    HA   TYR  14           HA       TYR  14   3.639  -3.059   1.407
  115    HB2  TYR  14           1HB      TYR  14   5.445  -1.496   2.447
  116    HB3  TYR  14           2HB      TYR  14   4.277  -0.213   2.122
  117    HD1  TYR  14           1HD      TYR  14   1.808  -0.729   2.960
  118    HD2  TYR  14           2HD      TYR  14   5.332  -2.529   4.522
  119    HE1  TYR  14           1HE      TYR  14   0.611  -1.251   5.044
  120    HE2  TYR  14           2HE      TYR  14   4.144  -3.056   6.609
  121    HH   TYR  14           HH       TYR  14   1.061  -1.747   7.351
  122    H    CYS  15           H        CYS  15   1.762  -3.186   0.288
  123    HA   CYS  15           HA       CYS  15   0.517  -0.692  -0.633
  124    HB2  CYS  15           1HB      CYS  15  -0.223  -3.559  -1.247
  125    HB3  CYS  15           2HB      CYS  15  -0.952  -2.119  -1.978
  126    H    TYR  16           H        TYR  16  -1.774  -0.377  -0.251
  127    HA   TYR  16           HA       TYR  16  -3.027  -1.922   1.851
  128    HB2  TYR  16           1HB      TYR  16  -3.449   0.117   3.252
  129    HB3  TYR  16           2HB      TYR  16  -1.770  -0.425   3.232
  130    HD1  TYR  16           2HD      TYR  16  -0.036   0.870   2.119
  131    HD2  TYR  16           1HD      TYR  16  -4.070   2.221   2.183
  132    HE1  TYR  16           2HE      TYR  16   0.708   3.107   1.414
  133    HE2  TYR  16           1HE      TYR  16  -3.337   4.460   1.476
  134    HH   TYR  16           HH       TYR  16  -0.264   5.535   1.666
  135    H    MET  17           H        MET  17  -5.215  -0.801   2.436
  136    HA   MET  17           HA       MET  17  -6.448  -0.001  -0.110
  137    HB2  MET  17           1HB      MET  17  -7.400  -1.566   2.250
  138    HB3  MET  17           2HB      MET  17  -8.587  -0.645   1.312
  139    HG2  MET  17           1HG      MET  17  -6.689  -2.635   0.074
  140    HG3  MET  17           2HG      MET  17  -8.305  -3.050   0.654
  141    HE1  MET  17           3HE      MET  17 -10.453  -2.921  -1.399
  142    HE2  MET  17           1HE      MET  17  -9.424  -3.290  -2.783
  143    HE3  MET  17           2HE      MET  17  -9.069  -3.999  -1.209
  144    H    ASP  18           H        ASP  18  -6.190   2.204  -0.064
  145    HA   ASP  18           HA       ASP  18  -6.757   3.777   2.256
  146    HB2  ASP  18           1HB      ASP  18  -5.140   4.557   0.612
  147    HB3  ASP  18           2HB      ASP  18  -6.391   4.571  -0.641
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -8.931   3.081   2.752
    2    HA2  GLY   1           2HA      GLY   1 -11.203   2.794   2.612
    3    HA3  GLY   1           3HA      GLY   1 -11.187   4.189   1.543
    4    H    ARG   2           H        ARG   2 -11.985   3.853  -0.413
    5    HA   ARG   2           HA       ARG   2 -12.246   1.103  -1.374
    6    HB2  ARG   2           1HB      ARG   2 -13.612   3.697  -1.999
    7    HB3  ARG   2           2HB      ARG   2 -13.654   2.378  -3.180
    8    HG2  ARG   2           1HG      ARG   2 -14.594   0.896  -1.401
    9    HG3  ARG   2           2HG      ARG   2 -14.709   2.328  -0.365
   10    HD2  ARG   2           1HD      ARG   2 -16.042   2.012  -3.064
   11    HD3  ARG   2           2HD      ARG   2 -16.835   1.819  -1.494
   12    HE   ARG   2           HE       ARG   2 -15.714   4.326  -1.435
   13   HH11  ARG   2          1HH1      ARG   2 -18.005   2.646  -3.444
   14   HH12  ARG   2          2HH1      ARG   2 -18.884   4.079  -3.866
   15   HH21  ARG   2          1HH2      ARG   2 -16.863   6.219  -1.980
   16   HH22  ARG   2          2HH2      ARG   2 -18.233   6.110  -3.032
   17    H    TYR   3           H        TYR   3  -9.671   1.844  -1.507
   18    HA   TYR   3           HA       TYR   3  -9.144   1.740  -4.327
   19    HB2  TYR   3           1HB      TYR   3  -9.359   4.130  -4.158
   20    HB3  TYR   3           2HB      TYR   3  -8.314   4.173  -2.738
   21    HD1  TYR   3           1HD      TYR   3  -8.078   2.792  -6.210
   22    HD2  TYR   3           2HD      TYR   3  -6.208   5.016  -3.104
   23    HE1  TYR   3           1HE      TYR   3  -6.108   3.128  -7.645
   24    HE2  TYR   3           2HE      TYR   3  -4.234   5.359  -4.529
   25    HH   TYR   3           HH       TYR   3  -3.357   5.086  -6.557
   26    H    ARG   4           H        ARG   4  -7.043   1.048  -4.807
   27    HA   ARG   4           HA       ARG   4  -5.598  -0.033  -2.492
   28    HB2  ARG   4           1HB      ARG   4  -6.428  -1.483  -4.452
   29    HB3  ARG   4           2HB      ARG   4  -5.087  -0.769  -5.363
   30    HG2  ARG   4           1HG      ARG   4  -3.485  -1.637  -3.750
   31    HG3  ARG   4           2HG      ARG   4  -4.812  -2.316  -2.794
   32    HD2  ARG   4           1HD      ARG   4  -5.106  -4.074  -4.185
   33    HD3  ARG   4           2HD      ARG   4  -4.805  -3.095  -5.627
   34    HE   ARG   4           HE       ARG   4  -2.380  -3.401  -4.279
   35   HH11  ARG   4          1HH1      ARG   4  -4.711  -5.338  -5.991
   36   HH12  ARG   4          2HH1      ARG   4  -3.545  -6.505  -6.522
   37   HH21  ARG   4          1HH2      ARG   4  -0.836  -4.930  -4.973
   38   HH22  ARG   4          2HH2      ARG   4  -1.341  -6.273  -5.940
   39    H    ARG   5           H        ARG   5  -3.748   0.855  -1.870
   40    HA   ARG   5           HA       ARG   5  -2.290   2.547  -3.793
   41    HB2  ARG   5           1HB      ARG   5  -2.121   2.834  -0.799
   42    HB3  ARG   5           2HB      ARG   5  -1.666   4.004  -2.046
   43    HG2  ARG   5           1HG      ARG   5  -4.315   3.703  -2.574
   44    HG3  ARG   5           2HG      ARG   5  -4.274   3.483  -0.816
   45    HD2  ARG   5           1HD      ARG   5  -4.632   5.836  -1.410
   46    HD3  ARG   5           2HD      ARG   5  -3.102   5.601  -0.555
   47    HE   ARG   5           HE       ARG   5  -2.540   5.459  -3.271
   48   HH11  ARG   5          1HH1      ARG   5  -3.748   7.793  -0.990
   49   HH12  ARG   5          2HH1      ARG   5  -3.122   9.156  -1.854
   50   HH21  ARG   5          1HH2      ARG   5  -1.711   7.245  -4.421
   51   HH22  ARG   5          2HH2      ARG   5  -1.965   8.844  -3.808
   52    H    CYS   6           H        CYS   6   0.030   2.606  -3.589
   53    HA   CYS   6           HA       CYS   6   1.234   0.374  -2.124
   54    HB2  CYS   6           1HB      CYS   6   1.374   0.857  -5.088
   55    HB3  CYS   6           2HB      CYS   6   2.662  -0.020  -4.246
   56    H    ILE   7           H        ILE   7   2.808   1.178  -0.920
   57    HA   ILE   7           HA       ILE   7   4.290   3.523  -1.914
   58    HB   ILE   7           HB       ILE   7   4.852   3.954   0.483
   59   HG12  ILE   7          1HG1      ILE   7   2.556   2.228   1.293
   60   HG13  ILE   7          2HG1      ILE   7   4.116   1.443   0.994
   61   HG21  ILE   7          1HG2      ILE   7   1.881   3.917   0.022
   62   HG22  ILE   7          2HG2      ILE   7   2.822   5.068   0.966
   63   HG23  ILE   7          3HG2      ILE   7   2.966   5.044  -0.790
   64   HD11  ILE   7          3HD1      ILE   7   3.949   3.810   2.805
   65   HD12  ILE   7          1HD1      ILE   7   3.547   2.195   3.386
   66   HD13  ILE   7          2HD1      ILE   7   5.157   2.528   2.748
   67    HA   PRO   8           HA       PRO   8   8.039   1.238  -1.942
   68    HB2  PRO   8           1HB      PRO   8   9.848   3.180  -1.276
   69    HB3  PRO   8           2HB      PRO   8   9.030   3.107  -2.835
   70    HG2  PRO   8           1HG      PRO   8   8.353   4.735  -0.410
   71    HG3  PRO   8           2HG      PRO   8   8.414   5.239  -2.141
   72    HD2  PRO   8           1HD      PRO   8   6.088   4.693  -0.855
   73    HD3  PRO   8           2HD      PRO   8   6.333   4.346  -2.575
   74    H    GLY   9           H        GLY   9   8.760  -0.208  -0.515
   75    HA2  GLY   9           2HA      GLY   9   8.851   0.556   2.328
   76    HA3  GLY   9           3HA      GLY   9   8.686  -1.086   1.726
   77    H    MET  10           H        MET  10  10.467  -1.324   3.380
   78    HA   MET  10           HA       MET  10  13.084  -0.561   2.294
   79    HB2  MET  10           1HB      MET  10  12.237  -0.198   4.779
   80    HB3  MET  10           2HB      MET  10  12.789  -1.871   4.959
   81    HG2  MET  10           1HG      MET  10  14.997  -1.341   4.680
   82    HG3  MET  10           2HG      MET  10  14.633   0.067   3.680
   83    HE1  MET  10           3HE      MET  10  15.340  -1.219   7.309
   84    HE2  MET  10           1HE      MET  10  16.609  -0.542   6.288
   85    HE3  MET  10           2HE      MET  10  16.115   0.300   7.756
   86    H    PHE  11           H        PHE  11  11.023  -3.269   2.919
   87    HA   PHE  11           HA       PHE  11  13.174  -5.093   2.063
   88    HB2  PHE  11           1HB      PHE  11  10.717  -5.854   3.654
   89    HB3  PHE  11           2HB      PHE  11  12.129  -6.859   3.317
   90    HD1  PHE  11           1HD      PHE  11  14.390  -6.081   4.249
   91    HD2  PHE  11           2HD      PHE  11  10.641  -4.602   5.618
   92    HE1  PHE  11           1HE      PHE  11  15.452  -5.332   6.338
   93    HE2  PHE  11           2HE      PHE  11  11.697  -3.850   7.709
   94    HZ   PHE  11           HZ       PHE  11  14.106  -4.214   8.071
   95    H    ARG  12           H        ARG  12   9.746  -4.300   1.783
   96    HA   ARG  12           HA       ARG  12   9.722  -5.274  -0.936
   97    HB2  ARG  12           1HB      ARG  12   7.569  -6.620  -0.389
   98    HB3  ARG  12           2HB      ARG  12   9.148  -7.352  -0.070
   99    HG2  ARG  12           1HG      ARG  12   8.953  -7.129   2.229
  100    HG3  ARG  12           2HG      ARG  12   7.725  -5.859   2.092
  101    HD2  ARG  12           1HD      ARG  12   7.010  -8.488   0.925
  102    HD3  ARG  12           2HD      ARG  12   7.161  -8.424   2.687
  103    HE   ARG  12           HE       ARG  12   5.570  -6.283   1.653
  104   HH11  ARG  12          1HH1      ARG  12   5.535  -9.642   2.574
  105   HH12  ARG  12          2HH1      ARG  12   3.837  -9.665   2.912
  106   HH21  ARG  12          1HH2      ARG  12   3.333  -6.303   2.097
  107   HH22  ARG  12          2HH2      ARG  12   2.583  -7.766   2.640
  108    H    ALA  13           H        ALA  13   7.527  -4.895  -1.952
  109    HA   ALA  13           HA       ALA  13   6.760  -2.221  -1.559
  110    HB1  ALA  13           1HB      ALA  13   4.832  -4.030  -2.885
  111    HB2  ALA  13           2HB      ALA  13   5.487  -2.477  -3.413
  112    HB3  ALA  13           3HB      ALA  13   6.452  -3.945  -3.580
  113    H    TYR  14           H        TYR  14   5.391  -1.304  -0.178
  114    HA   TYR  14           HA       TYR  14   3.643  -3.051   1.414
  115    HB2  TYR  14           1HB      TYR  14   5.446  -1.480   2.448
  116    HB3  TYR  14           2HB      TYR  14   4.276  -0.201   2.121
  117    HD1  TYR  14           1HD      TYR  14   1.804  -0.732   2.957
  118    HD2  TYR  14           2HD      TYR  14   5.342  -2.497   4.532
  119    HE1  TYR  14           1HE      TYR  14   0.608  -1.250   5.042
  120    HE2  TYR  14           2HE      TYR  14   4.154  -3.021   6.622
  121    HH   TYR  14           HH       TYR  14   2.043  -3.228   7.539
  122    H    CYS  15           H        CYS  15   1.765  -3.182   0.297
  123    HA   CYS  15           HA       CYS  15   0.516  -0.689  -0.630
  124    HB2  CYS  15           1HB      CYS  15  -0.220  -3.557  -1.244
  125    HB3  CYS  15           2HB      CYS  15  -0.949  -2.119  -1.973
  126    H    TYR  16           H        TYR  16  -1.774  -0.376  -0.250
  127    HA   TYR  16           HA       TYR  16  -3.028  -1.922   1.854
  128    HB2  TYR  16           1HB      TYR  16  -3.453   0.117   3.253
  129    HB3  TYR  16           2HB      TYR  16  -1.772  -0.425   3.235
  130    HD1  TYR  16           1HD      TYR  16  -0.035   0.873   2.132
  131    HD2  TYR  16           2HD      TYR  16  -4.071   2.219   2.174
  132    HE1  TYR  16           1HE      TYR  16   0.709   3.108   1.427
  133    HE2  TYR  16           2HE      TYR  16  -3.337   4.458   1.467
  134    HH   TYR  16           HH       TYR  16  -0.630   5.153   0.076
  135    H    MET  17           H        MET  17  -5.216  -0.801   2.438
  136    HA   MET  17           HA       MET  17  -6.447  -0.001  -0.109
  137    HB2  MET  17           1HB      MET  17  -7.402  -1.569   2.250
  138    HB3  MET  17           2HB      MET  17  -8.587  -0.648   1.311
  139    HG2  MET  17           1HG      MET  17  -6.687  -2.635   0.075
  140    HG3  MET  17           2HG      MET  17  -8.301  -3.052   0.653
  141    HE1  MET  17           3HE      MET  17 -10.317  -2.740  -2.292
  142    HE2  MET  17           1HE      MET  17  -9.875  -3.505  -0.766
  143    HE3  MET  17           2HE      MET  17 -10.701  -1.948  -0.765
  144    H    ASP  18           H        ASP  18  -6.189   2.203  -0.061
  145    HA   ASP  18           HA       ASP  18  -6.761   3.776   2.258
  146    HB2  ASP  18           1HB      ASP  18  -5.142   4.557   0.618
  147    HB3  ASP  18           2HB      ASP  18  -6.390   4.572  -0.635
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -8.922   3.092   2.751
    2    HA2  GLY   1           2HA      GLY   1 -11.193   2.797   2.616
    3    HA3  GLY   1           3HA      GLY   1 -11.181   4.189   1.545
    4    H    ARG   2           H        ARG   2 -11.983   3.850  -0.409
    5    HA   ARG   2           HA       ARG   2 -12.244   1.099  -1.366
    6    HB2  ARG   2           1HB      ARG   2 -13.612   3.693  -1.994
    7    HB3  ARG   2           2HB      ARG   2 -13.656   2.372  -3.172
    8    HG2  ARG   2           1HG      ARG   2 -14.373   1.670  -0.387
    9    HG3  ARG   2           2HG      ARG   2 -15.507   2.704  -1.273
   10    HD2  ARG   2           1HD      ARG   2 -16.245   0.524  -1.726
   11    HD3  ARG   2           2HD      ARG   2 -15.323   0.992  -3.162
   12    HE   ARG   2           HE       ARG   2 -13.665  -0.345  -1.285
   13   HH11  ARG   2          1HH1      ARG   2 -16.134  -0.887  -3.676
   14   HH12  ARG   2          2HH1      ARG   2 -15.622  -2.504  -4.028
   15   HH21  ARG   2          1HH2      ARG   2 -12.981  -2.473  -1.738
   16   HH22  ARG   2          2HH2      ARG   2 -13.829  -3.406  -2.923
   17    H    TYR   3           H        TYR   3  -9.670   1.840  -1.505
   18    HA   TYR   3           HA       TYR   3  -9.147   1.731  -4.324
   19    HB2  TYR   3           1HB      TYR   3  -9.362   4.120  -4.164
   20    HB3  TYR   3           2HB      TYR   3  -8.318   4.167  -2.742
   21    HD1  TYR   3           1HD      TYR   3  -8.083   2.782  -6.213
   22    HD2  TYR   3           2HD      TYR   3  -6.210   5.007  -3.109
   23    HE1  TYR   3           1HE      TYR   3  -6.113   3.115  -7.649
   24    HE2  TYR   3           2HE      TYR   3  -4.236   5.349  -4.536
   25    HH   TYR   3           HH       TYR   3  -4.177   5.033  -7.699
   26    H    ARG   4           H        ARG   4  -7.044   1.040  -4.806
   27    HA   ARG   4           HA       ARG   4  -5.598  -0.035  -2.492
   28    HB2  ARG   4           1HB      ARG   4  -6.421  -1.507  -4.427
   29    HB3  ARG   4           2HB      ARG   4  -5.116  -0.771  -5.370
   30    HG2  ARG   4           1HG      ARG   4  -4.255  -2.809  -4.570
   31    HG3  ARG   4           2HG      ARG   4  -3.535  -1.543  -3.560
   32    HD2  ARG   4           1HD      ARG   4  -4.651  -2.191  -1.686
   33    HD3  ARG   4           2HD      ARG   4  -6.080  -2.692  -2.600
   34    HE   ARG   4           HE       ARG   4  -3.910  -4.347  -1.788
   35   HH11  ARG   4          1HH1      ARG   4  -6.275  -3.879  -4.299
   36   HH12  ARG   4          2HH1      ARG   4  -6.295  -5.545  -4.774
   37   HH21  ARG   4          1HH2      ARG   4  -3.928  -6.543  -2.400
   38   HH22  ARG   4          2HH2      ARG   4  -4.960  -7.061  -3.692
   39    H    ARG   5           H        ARG   5  -3.741   0.842  -1.876
   40    HA   ARG   5           HA       ARG   5  -2.287   2.538  -3.800
   41    HB2  ARG   5           1HB      ARG   5  -2.120   2.831  -0.806
   42    HB3  ARG   5           2HB      ARG   5  -1.664   3.997  -2.056
   43    HG2  ARG   5           1HG      ARG   5  -4.312   3.696  -2.583
   44    HG3  ARG   5           2HG      ARG   5  -4.273   3.479  -0.827
   45    HD2  ARG   5           1HD      ARG   5  -4.630   5.830  -1.424
   46    HD3  ARG   5           2HD      ARG   5  -3.101   5.597  -0.568
   47    HE   ARG   5           HE       ARG   5  -2.440   5.451  -3.219
   48   HH11  ARG   5          1HH1      ARG   5  -4.010   7.790  -1.173
   49   HH12  ARG   5          2HH1      ARG   5  -3.468   9.153  -2.096
   50   HH21  ARG   5          1HH2      ARG   5  -1.722   7.237  -4.442
   51   HH22  ARG   5          2HH2      ARG   5  -2.167   8.837  -3.955
   52    H    CYS   6           H        CYS   6   0.034   2.599  -3.594
   53    HA   CYS   6           HA       CYS   6   1.237   0.370  -2.126
   54    HB2  CYS   6           1HB      CYS   6   1.378   0.850  -5.089
   55    HB3  CYS   6           2HB      CYS   6   2.666  -0.027  -4.245
   56    H    ILE   7           H        ILE   7   2.812   1.176  -0.922
   57    HA   ILE   7           HA       ILE   7   4.291   3.520  -1.918
   58    HB   ILE   7           HB       ILE   7   4.849   3.958   0.477
   59   HG12  ILE   7          1HG1      ILE   7   2.585   2.106   1.178
   60   HG13  ILE   7          2HG1      ILE   7   4.248   1.503   1.086
   61   HG21  ILE   7          1HG2      ILE   7   1.878   3.910   0.003
   62   HG22  ILE   7          2HG2      ILE   7   2.808   5.061   0.963
   63   HG23  ILE   7          3HG2      ILE   7   2.967   5.047  -0.795
   64   HD11  ILE   7          3HD1      ILE   7   3.373   2.214   3.370
   65   HD12  ILE   7          1HD1      ILE   7   4.959   2.810   2.877
   66   HD13  ILE   7          2HD1      ILE   7   3.551   3.867   2.782
   67    HA   PRO   8           HA       PRO   8   8.041   1.234  -1.937
   68    HB2  PRO   8           1HB      PRO   8   9.850   3.182  -1.274
   69    HB3  PRO   8           2HB      PRO   8   9.034   3.102  -2.834
   70    HG2  PRO   8           1HG      PRO   8   8.353   4.737  -0.414
   71    HG3  PRO   8           2HG      PRO   8   8.416   5.236  -2.146
   72    HD2  PRO   8           1HD      PRO   8   6.088   4.694  -0.861
   73    HD3  PRO   8           2HD      PRO   8   6.336   4.340  -2.580
   74    H    GLY   9           H        GLY   9   8.762  -0.207  -0.504
   75    HA2  GLY   9           2HA      GLY   9   8.852   0.569   2.337
   76    HA3  GLY   9           3HA      GLY   9   8.682  -1.076   1.741
   77    H    MET  10           H        MET  10  10.461  -1.331   3.384
   78    HA   MET  10           HA       MET  10  13.080  -0.572   2.302
   79    HB2  MET  10           1HB      MET  10  12.237  -0.206   4.788
   80    HB3  MET  10           2HB      MET  10  12.781  -1.881   4.965
   81    HG2  MET  10           1HG      MET  10  14.879  -1.215   5.186
   82    HG3  MET  10           2HG      MET  10  14.806  -0.439   3.602
   83    HE1  MET  10           3HE      MET  10  16.644   0.614   6.086
   84    HE2  MET  10           1HE      MET  10  16.633   1.256   4.441
   85    HE3  MET  10           2HE      MET  10  16.431   2.345   5.814
   86    H    PHE  11           H        PHE  11  11.009  -3.274   2.920
   87    HA   PHE  11           HA       PHE  11  13.157  -5.103   2.071
   88    HB2  PHE  11           1HB      PHE  11  10.688  -5.856   3.647
   89    HB3  PHE  11           2HB      PHE  11  12.097  -6.866   3.316
   90    HD1  PHE  11           1HD      PHE  11  14.369  -5.262   3.957
   91    HD2  PHE  11           2HD      PHE  11  10.594  -5.446   5.915
   92    HE1  PHE  11           1HE      PHE  11  15.424  -4.519   6.054
   93    HE2  PHE  11           2HE      PHE  11  11.643  -4.703   8.014
   94    HZ   PHE  11           HZ       PHE  11  14.061  -4.239   8.085
   95    H    ARG  12           H        ARG  12   9.734  -4.294   1.774
   96    HA   ARG  12           HA       ARG  12   9.719  -5.258  -0.948
   97    HB2  ARG  12           1HB      ARG  12   7.564  -6.608  -0.416
   98    HB3  ARG  12           2HB      ARG  12   9.142  -7.342  -0.097
   99    HG2  ARG  12           1HG      ARG  12   8.965  -6.977   2.235
  100    HG3  ARG  12           2HG      ARG  12   7.568  -5.912   2.022
  101    HD2  ARG  12           1HD      ARG  12   6.452  -7.809   2.615
  102    HD3  ARG  12           2HD      ARG  12   6.563  -8.085   0.873
  103    HE   ARG  12           HE       ARG  12   8.815  -9.244   1.799
  104   HH11  ARG  12          1HH1      ARG  12   5.465  -9.507   2.703
  105   HH12  ARG  12          2HH1      ARG  12   5.598 -11.152   3.227
  106   HH21  ARG  12          1HH2      ARG  12   9.005 -11.411   2.484
  107   HH22  ARG  12          2HH2      ARG  12   7.614 -12.236   3.103
  108    H    ALA  13           H        ALA  13   7.527  -4.873  -1.970
  109    HA   ALA  13           HA       ALA  13   6.756  -2.203  -1.565
  110    HB1  ALA  13           1HB      ALA  13   5.896  -4.431  -3.278
  111    HB2  ALA  13           2HB      ALA  13   4.668  -3.203  -2.962
  112    HB3  ALA  13           3HB      ALA  13   6.212  -2.742  -3.680
  113    H    TYR  14           H        TYR  14   5.402  -1.299  -0.162
  114    HA   TYR  14           HA       TYR  14   3.646  -3.052   1.411
  115    HB2  TYR  14           1HB      TYR  14   5.448  -1.487   2.456
  116    HB3  TYR  14           2HB      TYR  14   4.279  -0.204   2.130
  117    HD1  TYR  14           2HD      TYR  14   1.817  -0.696   2.973
  118    HD2  TYR  14           1HD      TYR  14   5.320  -2.547   4.520
  119    HE1  TYR  14           2HE      TYR  14   0.615  -1.216   5.054
  120    HE2  TYR  14           1HE      TYR  14   4.129  -3.073   6.606
  121    HH   TYR  14           HH       TYR  14   1.186  -3.317   7.031
  122    H    CYS  15           H        CYS  15   1.770  -3.182   0.292
  123    HA   CYS  15           HA       CYS  15   0.520  -0.691  -0.632
  124    HB2  CYS  15           1HB      CYS  15  -0.220  -3.559  -1.240
  125    HB3  CYS  15           2HB      CYS  15  -0.948  -2.120  -1.973
  126    H    TYR  16           H        TYR  16  -1.770  -0.376  -0.248
  127    HA   TYR  16           HA       TYR  16  -3.021  -1.918   1.859
  128    HB2  TYR  16           1HB      TYR  16  -3.444   0.124   3.256
  129    HB3  TYR  16           2HB      TYR  16  -1.762  -0.415   3.234
  130    HD1  TYR  16           2HD      TYR  16  -0.029   0.885   2.130
  131    HD2  TYR  16           1HD      TYR  16  -4.069   2.220   2.166
  132    HE1  TYR  16           2HE      TYR  16   0.710   3.120   1.419
  133    HE2  TYR  16           1HE      TYR  16  -3.342   4.460   1.454
  134    HH   TYR  16           HH       TYR  16  -0.681   5.715   1.768
  135    H    MET  17           H        MET  17  -5.209  -0.796   2.443
  136    HA   MET  17           HA       MET  17  -6.444  -0.003  -0.104
  137    HB2  MET  17           1HB      MET  17  -7.393  -1.564   2.260
  138    HB3  MET  17           2HB      MET  17  -8.581  -0.644   1.324
  139    HG2  MET  17           1HG      MET  17  -7.809  -1.823  -0.730
  140    HG3  MET  17           2HG      MET  17  -6.766  -2.810   0.297
  141    HE1  MET  17           3HE      MET  17 -11.261  -3.196  -0.311
  142    HE2  MET  17           1HE      MET  17 -10.435  -1.637  -0.269
  143    HE3  MET  17           2HE      MET  17 -10.033  -2.814  -1.519
  144    H    ASP  18           H        ASP  18  -6.186   2.203  -0.065
  145    HA   ASP  18           HA       ASP  18  -6.753   3.784   2.251
  146    HB2  ASP  18           1HB      ASP  18  -5.137   4.558   0.603
  147    HB3  ASP  18           2HB      ASP  18  -6.388   4.566  -0.647
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -8.948   3.056   2.769
    2    HA2  GLY   1           2HA      GLY   1 -11.220   2.766   2.623
    3    HA3  GLY   1           3HA      GLY   1 -11.200   4.173   1.569
    4    H    ARG   2           H        ARG   2 -11.988   3.860  -0.395
    5    HA   ARG   2           HA       ARG   2 -12.265   1.122  -1.384
    6    HB2  ARG   2           1HB      ARG   2 -13.614   3.730  -1.991
    7    HB3  ARG   2           2HB      ARG   2 -13.661   2.421  -3.182
    8    HG2  ARG   2           1HG      ARG   2 -14.720   0.939  -1.573
    9    HG3  ARG   2           2HG      ARG   2 -14.618   2.203  -0.334
   10    HD2  ARG   2           1HD      ARG   2 -16.295   3.466  -1.265
   11    HD3  ARG   2           2HD      ARG   2 -15.970   2.865  -2.896
   12    HE   ARG   2           HE       ARG   2 -16.904   0.687  -1.521
   13   HH11  ARG   2          1HH1      ARG   2 -18.088   3.883  -2.233
   14   HH12  ARG   2          2HH1      ARG   2 -19.754   3.409  -2.228
   15   HH21  ARG   2          1HH2      ARG   2 -19.094   0.050  -1.511
   16   HH22  ARG   2          2HH2      ARG   2 -20.326   1.228  -1.816
   17    H    TYR   3           H        TYR   3  -9.683   1.858  -1.503
   18    HA   TYR   3           HA       TYR   3  -9.148   1.768  -4.319
   19    HB2  TYR   3           1HB      TYR   3  -9.359   4.154  -4.156
   20    HB3  TYR   3           2HB      TYR   3  -8.336   4.197  -2.718
   21    HD1  TYR   3           1HD      TYR   3  -8.049   2.827  -6.192
   22    HD2  TYR   3           2HD      TYR   3  -6.224   5.041  -3.050
   23    HE1  TYR   3           1HE      TYR   3  -6.059   3.170  -7.597
   24    HE2  TYR   3           2HE      TYR   3  -4.230   5.391  -4.447
   25    HH   TYR   3           HH       TYR   3  -3.946   5.367  -7.289
   26    H    ARG   4           H        ARG   4  -7.048   1.071  -4.795
   27    HA   ARG   4           HA       ARG   4  -5.602   0.003  -2.475
   28    HB2  ARG   4           1HB      ARG   4  -6.437  -1.505  -4.359
   29    HB3  ARG   4           2HB      ARG   4  -5.177  -0.766  -5.358
   30    HG2  ARG   4           1HG      ARG   4  -3.926  -1.565  -2.957
   31    HG3  ARG   4           2HG      ARG   4  -4.959  -2.906  -3.482
   32    HD2  ARG   4           1HD      ARG   4  -2.958  -1.484  -5.252
   33    HD3  ARG   4           2HD      ARG   4  -2.654  -3.005  -4.402
   34    HE   ARG   4           HE       ARG   4  -4.161  -2.654  -6.810
   35   HH11  ARG   4          1HH1      ARG   4  -3.778  -4.633  -3.970
   36   HH12  ARG   4          2HH1      ARG   4  -4.454  -6.049  -4.707
   37   HH21  ARG   4          1HH2      ARG   4  -5.051  -4.512  -7.790
   38   HH22  ARG   4          2HH2      ARG   4  -5.177  -5.978  -6.880
   39    H    ARG   5           H        ARG   5  -3.731   0.872  -1.884
   40    HA   ARG   5           HA       ARG   5  -2.277   2.532  -3.840
   41    HB2  ARG   5           1HB      ARG   5  -2.131   2.870  -0.846
   42    HB3  ARG   5           2HB      ARG   5  -1.620   4.003  -2.106
   43    HG2  ARG   5           1HG      ARG   5  -4.344   3.595  -2.573
   44    HG3  ARG   5           2HG      ARG   5  -4.176   3.738  -0.815
   45    HD2  ARG   5           1HD      ARG   5  -2.667   5.696  -2.459
   46    HD3  ARG   5           2HD      ARG   5  -4.428   5.853  -2.438
   47    HE   ARG   5           HE       ARG   5  -3.320   5.574   0.186
   48   HH11  ARG   5          1HH1      ARG   5  -3.966   7.828  -2.387
   49   HH12  ARG   5          2HH1      ARG   5  -4.024   9.208  -1.339
   50   HH21  ARG   5          1HH2      ARG   5  -3.396   7.381   1.575
   51   HH22  ARG   5          2HH2      ARG   5  -3.700   8.951   0.915
   52    H    CYS   6           H        CYS   6   0.049   2.601  -3.612
   53    HA   CYS   6           HA       CYS   6   1.236   0.372  -2.128
   54    HB2  CYS   6           1HB      CYS   6   1.411   0.844  -5.093
   55    HB3  CYS   6           2HB      CYS   6   2.679  -0.042  -4.231
   56    H    ILE   7           H        ILE   7   2.804   1.177  -0.914
   57    HA   ILE   7           HA       ILE   7   4.287   3.525  -1.896
   58    HB   ILE   7           HB       ILE   7   4.854   3.935   0.503
   59   HG12  ILE   7          1HG1      ILE   7   2.579   2.131   1.243
   60   HG13  ILE   7          2HG1      ILE   7   4.199   1.442   1.038
   61   HG21  ILE   7          1HG2      ILE   7   1.912   3.906  -0.163
   62   HG22  ILE   7          2HG2      ILE   7   2.681   4.886   1.083
   63   HG23  ILE   7          3HG2      ILE   7   3.064   5.162  -0.615
   64   HD11  ILE   7          3HD1      ILE   7   3.527   3.697   2.913
   65   HD12  ILE   7          1HD1      ILE   7   3.690   2.004   3.376
   66   HD13  ILE   7          2HD1      ILE   7   5.084   2.884   2.751
   67    HA   PRO   8           HA       PRO   8   8.040   1.247  -1.959
   68    HB2  PRO   8           1HB      PRO   8   9.848   3.190  -1.278
   69    HB3  PRO   8           2HB      PRO   8   9.024   3.128  -2.837
   70    HG2  PRO   8           1HG      PRO   8   8.353   4.734  -0.395
   71    HG3  PRO   8           2HG      PRO   8   8.406   5.253  -2.121
   72    HD2  PRO   8           1HD      PRO   8   6.085   4.689  -0.832
   73    HD3  PRO   8           2HD      PRO   8   6.326   4.359  -2.556
   74    H    GLY   9           H        GLY   9   8.769  -0.208  -0.547
   75    HA2  GLY   9           2HA      GLY   9   8.885   0.537   2.303
   76    HA3  GLY   9           3HA      GLY   9   8.691  -1.098   1.694
   77    H    MET  10           H        MET  10  10.497  -1.232   3.405
   78    HA   MET  10           HA       MET  10  13.108  -0.565   2.249
   79    HB2  MET  10           1HB      MET  10  12.297  -0.130   4.736
   80    HB3  MET  10           2HB      MET  10  12.829  -1.805   4.949
   81    HG2  MET  10           1HG      MET  10  14.873  -1.013   5.297
   82    HG3  MET  10           2HG      MET  10  14.913  -0.622   3.575
   83    HE1  MET  10           3HE      MET  10  14.600   0.231   7.017
   84    HE2  MET  10           1HE      MET  10  15.734   1.577   6.925
   85    HE3  MET  10           2HE      MET  10  14.014   1.891   7.156
   86    H    PHE  11           H        PHE  11  11.023  -3.231   2.963
   87    HA   PHE  11           HA       PHE  11  13.151  -5.105   2.161
   88    HB2  PHE  11           1HB      PHE  11  10.646  -5.796   3.709
   89    HB3  PHE  11           2HB      PHE  11  12.050  -6.826   3.428
   90    HD1  PHE  11           2HD      PHE  11  14.356  -5.634   4.211
   91    HD2  PHE  11           1HD      PHE  11  10.483  -4.932   5.831
   92    HE1  PHE  11           2HE      PHE  11  15.379  -4.857   6.310
   93    HE2  PHE  11           1HE      PHE  11  11.501  -4.152   7.933
   94    HZ   PHE  11           HZ       PHE  11  13.951  -4.116   8.174
   95    H    ARG  12           H        ARG  12   9.745  -4.258   1.792
   96    HA   ARG  12           HA       ARG  12   9.753  -5.240  -0.915
   97    HB2  ARG  12           1HB      ARG  12   7.591  -6.603  -0.370
   98    HB3  ARG  12           2HB      ARG  12   9.183  -7.331  -0.115
   99    HG2  ARG  12           1HG      ARG  12   7.753  -7.835   1.760
  100    HG3  ARG  12           2HG      ARG  12   9.054  -6.746   2.270
  101    HD2  ARG  12           1HD      ARG  12   7.645  -5.001   2.662
  102    HD3  ARG  12           2HD      ARG  12   6.548  -5.470   1.355
  103    HE   ARG  12           HE       ARG  12   6.524  -7.261   3.612
  104   HH11  ARG  12          1HH1      ARG  12   5.175  -4.376   2.207
  105   HH12  ARG  12          2HH1      ARG  12   3.703  -4.464   3.116
  106   HH21  ARG  12          1HH2      ARG  12   4.591  -7.387   4.815
  107   HH22  ARG  12          2HH2      ARG  12   3.372  -6.177   4.601
  108    H    ALA  13           H        ALA  13   7.569  -4.879  -1.957
  109    HA   ALA  13           HA       ALA  13   6.759  -2.223  -1.567
  110    HB1  ALA  13           1HB      ALA  13   6.376  -2.978  -3.707
  111    HB2  ALA  13           2HB      ALA  13   5.694  -4.512  -3.161
  112    HB3  ALA  13           3HB      ALA  13   4.751  -3.027  -3.022
  113    H    TYR  14           H        TYR  14   5.373  -1.317  -0.193
  114    HA   TYR  14           HA       TYR  14   3.634  -3.081   1.391
  115    HB2  TYR  14           1HB      TYR  14   5.436  -1.523   2.446
  116    HB3  TYR  14           2HB      TYR  14   4.271  -0.237   2.122
  117    HD1  TYR  14           2HD      TYR  14   1.802  -0.738   2.953
  118    HD2  TYR  14           1HD      TYR  14   5.309  -2.581   4.509
  119    HE1  TYR  14           2HE      TYR  14   0.596  -1.265   5.032
  120    HE2  TYR  14           1HE      TYR  14   4.111  -3.114   6.590
  121    HH   TYR  14           HH       TYR  14   1.241  -1.714   7.471
  122    H    CYS  15           H        CYS  15   1.759  -3.201   0.271
  123    HA   CYS  15           HA       CYS  15   0.514  -0.705  -0.646
  124    HB2  CYS  15           1HB      CYS  15  -0.233  -3.569  -1.262
  125    HB3  CYS  15           2HB      CYS  15  -0.955  -2.127  -1.993
  126    H    TYR  16           H        TYR  16  -1.775  -0.385  -0.263
  127    HA   TYR  16           HA       TYR  16  -3.031  -1.931   1.838
  128    HB2  TYR  16           1HB      TYR  16  -3.439   0.081   3.261
  129    HB3  TYR  16           2HB      TYR  16  -1.746  -0.421   3.201
  130    HD1  TYR  16           2HD      TYR  16  -0.127   0.848   1.763
  131    HD2  TYR  16           1HD      TYR  16  -4.071   2.252   2.522
  132    HE1  TYR  16           2HE      TYR  16   0.549   3.108   1.062
  133    HE2  TYR  16           1HE      TYR  16  -3.406   4.514   1.821
  134    HH   TYR  16           HH       TYR  16  -0.222   5.474   1.481
  135    H    MET  17           H        MET  17  -5.217  -0.808   2.425
  136    HA   MET  17           HA       MET  17  -6.444   0.012  -0.118
  137    HB2  MET  17           1HB      MET  17  -7.405  -1.583   2.220
  138    HB3  MET  17           2HB      MET  17  -8.587  -0.658   1.281
  139    HG2  MET  17           1HG      MET  17  -7.807  -1.812  -0.774
  140    HG3  MET  17           2HG      MET  17  -6.747  -2.796   0.238
  141    HE1  MET  17           3HE      MET  17  -9.962  -1.960  -1.128
  142    HE2  MET  17           1HE      MET  17 -11.007  -3.345  -0.808
  143    HE3  MET  17           2HE      MET  17 -10.944  -2.007   0.339
  144    H    ASP  18           H        ASP  18  -6.200   2.216  -0.047
  145    HA   ASP  18           HA       ASP  18  -6.781   3.758   2.292
  146    HB2  ASP  18           1HB      ASP  18  -5.159   4.582   0.693
  147    HB3  ASP  18           2HB      ASP  18  -6.374   4.569  -0.592
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -8.965   3.127   2.716
    2    HA2  GLY   1           2HA      GLY   1 -11.248   2.975   2.533
    3    HA3  GLY   1           3HA      GLY   1 -11.107   4.319   1.409
    4    H    ARG   2           H        ARG   2 -11.878   3.963  -0.555
    5    HA   ARG   2           HA       ARG   2 -12.308   1.197  -1.415
    6    HB2  ARG   2           1HB      ARG   2 -13.528   3.840  -2.145
    7    HB3  ARG   2           2HB      ARG   2 -13.646   2.474  -3.267
    8    HG2  ARG   2           1HG      ARG   2 -15.142   1.365  -1.998
    9    HG3  ARG   2           2HG      ARG   2 -14.398   1.896  -0.480
   10    HD2  ARG   2           1HD      ARG   2 -15.513   3.962  -0.503
   11    HD3  ARG   2           2HD      ARG   2 -15.899   3.818  -2.224
   12    HE   ARG   2           HE       ARG   2 -17.160   1.712  -0.916
   13   HH11  ARG   2          1HH1      ARG   2 -17.282   5.190  -0.984
   14   HH12  ARG   2          2HH1      ARG   2 -18.963   5.268  -0.568
   15   HH21  ARG   2          1HH2      ARG   2 -19.373   1.802  -0.369
   16   HH22  ARG   2          2HH2      ARG   2 -20.150   3.341  -0.217
   17    H    TYR   3           H        TYR   3  -9.678   1.941  -1.534
   18    HA   TYR   3           HA       TYR   3  -9.128   1.616  -4.334
   19    HB2  TYR   3           1HB      TYR   3  -9.333   4.017  -4.336
   20    HB3  TYR   3           2HB      TYR   3  -8.288   4.153  -2.921
   21    HD1  TYR   3           1HD      TYR   3  -8.062   2.530  -6.289
   22    HD2  TYR   3           2HD      TYR   3  -6.172   4.948  -3.341
   23    HE1  TYR   3           1HE      TYR   3  -6.090   2.746  -7.740
   24    HE2  TYR   3           2HE      TYR   3  -4.195   5.173  -4.785
   25    HH   TYR   3           HH       TYR   3  -3.883   4.984  -7.523
   26    H    ARG   4           H        ARG   4  -7.019   0.890  -4.741
   27    HA   ARG   4           HA       ARG   4  -5.602  -0.021  -2.338
   28    HB2  ARG   4           1HB      ARG   4  -6.433  -1.615  -4.189
   29    HB3  ARG   4           2HB      ARG   4  -5.073  -0.988  -5.135
   30    HG2  ARG   4           1HG      ARG   4  -3.491  -1.761  -3.479
   31    HG3  ARG   4           2HG      ARG   4  -4.820  -2.297  -2.435
   32    HD2  ARG   4           1HD      ARG   4  -5.138  -4.201  -3.595
   33    HD3  ARG   4           2HD      ARG   4  -4.939  -3.379  -5.150
   34    HE   ARG   4           HE       ARG   4  -2.788  -4.124  -5.191
   35   HH11  ARG   4          1HH1      ARG   4  -3.874  -4.079  -1.884
   36   HH12  ARG   4          2HH1      ARG   4  -2.419  -4.787  -1.261
   37   HH21  ARG   4          1HH2      ARG   4  -0.869  -5.056  -4.384
   38   HH22  ARG   4          2HH2      ARG   4  -0.711  -5.341  -2.682
   39    H    ARG   5           H        ARG   5  -3.799   0.981  -1.760
   40    HA   ARG   5           HA       ARG   5  -2.332   2.526  -3.793
   41    HB2  ARG   5           1HB      ARG   5  -2.185   2.893  -0.798
   42    HB3  ARG   5           2HB      ARG   5  -1.589   3.986  -2.054
   43    HG2  ARG   5           1HG      ARG   5  -4.142   4.000  -2.762
   44    HG3  ARG   5           2HG      ARG   5  -4.351   3.580  -1.055
   45    HD2  ARG   5           1HD      ARG   5  -3.782   5.640  -0.344
   46    HD3  ARG   5           2HD      ARG   5  -2.449   5.752  -1.500
   47    HE   ARG   5           HE       ARG   5  -4.597   6.066  -3.083
   48   HH11  ARG   5          1HH1      ARG   5  -3.654   7.558  -0.082
   49   HH12  ARG   5          2HH1      ARG   5  -4.445   9.060  -0.430
   50   HH21  ARG   5          1HH2      ARG   5  -5.640   8.040  -3.553
   51   HH22  ARG   5          2HH2      ARG   5  -5.574   9.332  -2.404
   52    H    CYS   6           H        CYS   6   0.013   2.629  -3.554
   53    HA   CYS   6           HA       CYS   6   1.211   0.382  -2.110
   54    HB2  CYS   6           1HB      CYS   6   1.375   0.901  -5.068
   55    HB3  CYS   6           2HB      CYS   6   2.649   0.004  -4.223
   56    H    ILE   7           H        ILE   7   2.780   1.174  -0.889
   57    HA   ILE   7           HA       ILE   7   4.256   3.537  -1.842
   58    HB   ILE   7           HB       ILE   7   4.820   3.923   0.562
   59   HG12  ILE   7          1HG1      ILE   7   2.577   2.010   1.188
   60   HG13  ILE   7          2HG1      ILE   7   4.266   1.475   1.154
   61   HG21  ILE   7          1HG2      ILE   7   1.853   3.881   0.048
   62   HG22  ILE   7          2HG2      ILE   7   2.747   4.979   1.098
   63   HG23  ILE   7          3HG2      ILE   7   2.955   5.066  -0.652
   64   HD11  ILE   7          3HD1      ILE   7   4.845   3.027   2.905
   65   HD12  ILE   7          1HD1      ILE   7   3.204   3.673   2.912
   66   HD13  ILE   7          2HD1      ILE   7   3.500   2.009   3.419
   67    HA   PRO   8           HA       PRO   8   8.013   1.267  -1.922
   68    HB2  PRO   8           1HB      PRO   8   9.816   3.207  -1.220
   69    HB3  PRO   8           2HB      PRO   8   8.996   3.159  -2.781
   70    HG2  PRO   8           1HG      PRO   8   8.317   4.739  -0.323
   71    HG3  PRO   8           2HG      PRO   8   8.372   5.274  -2.043
   72    HD2  PRO   8           1HD      PRO   8   6.051   4.694  -0.763
   73    HD3  PRO   8           2HD      PRO   8   6.295   4.381  -2.491
   74    H    GLY   9           H        GLY   9   8.742  -0.202  -0.523
   75    HA2  GLY   9           2HA      GLY   9   8.826   0.501   2.334
   76    HA3  GLY   9           3HA      GLY   9   8.687  -1.129   1.694
   77    H    MET  10           H        MET  10  10.472  -1.314   3.387
   78    HA   MET  10           HA       MET  10  13.078  -0.515   2.304
   79    HB2  MET  10           1HB      MET  10  12.221  -0.198   4.794
   80    HB3  MET  10           2HB      MET  10  12.798  -1.864   4.950
   81    HG2  MET  10           1HG      MET  10  14.733  -0.853   5.504
   82    HG3  MET  10           2HG      MET  10  14.929  -0.783   3.749
   83    HE1  MET  10           3HE      MET  10  16.675   1.134   3.926
   84    HE2  MET  10           1HE      MET  10  15.565   1.343   2.571
   85    HE3  MET  10           2HE      MET  10  16.023   2.732   3.556
   86    H    PHE  11           H        PHE  11  11.062  -3.267   2.896
   87    HA   PHE  11           HA       PHE  11  13.243  -5.038   2.013
   88    HB2  PHE  11           1HB      PHE  11  10.806  -5.865   3.602
   89    HB3  PHE  11           2HB      PHE  11  12.235  -6.837   3.250
   90    HD1  PHE  11           1HD      PHE  11  14.503  -5.926   4.136
   91    HD2  PHE  11           2HD      PHE  11  10.697  -4.742   5.627
   92    HE1  PHE  11           1HE      PHE  11  15.557  -5.183   6.230
   93    HE2  PHE  11           2HE      PHE  11  11.746  -3.996   7.724
   94    HZ   PHE  11           HZ       PHE  11  14.179  -4.215   8.028
   95    H    ARG  12           H        ARG  12   9.802  -4.304   1.753
   96    HA   ARG  12           HA       ARG  12   9.786  -5.248  -0.978
   97    HB2  ARG  12           1HB      ARG  12   7.657  -6.637  -0.439
   98    HB3  ARG  12           2HB      ARG  12   9.251  -7.345  -0.134
   99    HG2  ARG  12           1HG      ARG  12   9.075  -6.776   2.238
  100    HG3  ARG  12           2HG      ARG  12   7.482  -6.062   1.936
  101    HD2  ARG  12           1HD      ARG  12   7.008  -8.456   0.879
  102    HD3  ARG  12           2HD      ARG  12   8.304  -8.918   1.993
  103    HE   ARG  12           HE       ARG  12   6.855  -8.632   3.739
  104   HH11  ARG  12          1HH1      ARG  12   5.567  -7.035   0.926
  105   HH12  ARG  12          2HH1      ARG  12   4.044  -6.672   1.669
  106   HH21  ARG  12          1HH2      ARG  12   4.855  -8.159   4.728
  107   HH22  ARG  12          2HH2      ARG  12   3.640  -7.312   3.833
  108    H    ALA  13           H        ALA  13   7.579  -4.895  -1.982
  109    HA   ALA  13           HA       ALA  13   6.769  -2.242  -1.568
  110    HB1  ALA  13           1HB      ALA  13   5.058  -2.659  -3.202
  111    HB2  ALA  13           2HB      ALA  13   6.531  -3.498  -3.697
  112    HB3  ALA  13           3HB      ALA  13   5.203  -4.401  -2.970
  113    H    TYR  14           H        TYR  14   5.298  -1.326  -0.274
  114    HA   TYR  14           HA       TYR  14   3.611  -3.109   1.354
  115    HB2  TYR  14           1HB      TYR  14   5.430  -1.563   2.405
  116    HB3  TYR  14           2HB      TYR  14   4.256  -0.277   2.115
  117    HD1  TYR  14           2HD      TYR  14   1.802  -0.792   2.974
  118    HD2  TYR  14           1HD      TYR  14   5.328  -2.660   4.452
  119    HE1  TYR  14           2HE      TYR  14   0.623  -1.356   5.059
  120    HE2  TYR  14           1HE      TYR  14   4.159  -3.230   6.539
  121    HH   TYR  14           HH       TYR  14   2.274  -2.579   7.830
  122    H    CYS  15           H        CYS  15   1.728  -3.210   0.244
  123    HA   CYS  15           HA       CYS  15   0.487  -0.699  -0.635
  124    HB2  CYS  15           1HB      CYS  15  -0.276  -3.551  -1.281
  125    HB3  CYS  15           2HB      CYS  15  -0.993  -2.095  -1.993
  126    H    TYR  16           H        TYR  16  -1.801  -0.379  -0.235
  127    HA   TYR  16           HA       TYR  16  -3.048  -1.948   1.857
  128    HB2  TYR  16           1HB      TYR  16  -3.455   0.078   3.283
  129    HB3  TYR  16           2HB      TYR  16  -1.778  -0.473   3.250
  130    HD1  TYR  16           2HD      TYR  16  -4.066   2.194   2.224
  131    HD2  TYR  16           1HD      TYR  16  -0.037   0.827   2.164
  132    HE1  TYR  16           2HE      TYR  16  -3.321   4.437   1.541
  133    HE2  TYR  16           1HE      TYR  16   0.719   3.067   1.480
  134    HH   TYR  16           HH       TYR  16  -0.493   5.609   1.852
  135    H    MET  17           H        MET  17  -5.227  -0.824   2.468
  136    HA   MET  17           HA       MET  17  -6.478  -0.008  -0.061
  137    HB2  MET  17           1HB      MET  17  -7.416  -1.558   2.314
  138    HB3  MET  17           2HB      MET  17  -8.605  -0.619   1.401
  139    HG2  MET  17           1HG      MET  17  -6.760  -2.636   0.130
  140    HG3  MET  17           2HG      MET  17  -8.374  -3.022   0.731
  141    HE1  MET  17           3HE      MET  17 -10.124  -3.323  -0.730
  142    HE2  MET  17           1HE      MET  17 -10.239  -2.778  -2.403
  143    HE3  MET  17           2HE      MET  17  -8.971  -3.908  -1.931
  144    H    ASP  18           H        ASP  18  -6.194   2.193  -0.032
  145    HA   ASP  18           HA       ASP  18  -6.758   3.775   2.294
  146    HB2  ASP  18           1HB      ASP  18  -5.076   4.441   0.596
  147    HB3  ASP  18           2HB      ASP  18  -6.384   4.656  -0.576
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -8.931   3.080   2.753
    2    HA2  GLY   1           2HA      GLY   1 -11.204   2.797   2.615
    3    HA3  GLY   1           3HA      GLY   1 -11.183   4.191   1.546
    4    H    ARG   2           H        ARG   2 -11.972   3.860  -0.416
    5    HA   ARG   2           HA       ARG   2 -12.248   1.109  -1.372
    6    HB2  ARG   2           1HB      ARG   2 -13.421   3.568  -2.665
    7    HB3  ARG   2           2HB      ARG   2 -13.961   1.886  -2.803
    8    HG2  ARG   2           1HG      ARG   2 -14.281   2.216  -0.161
    9    HG3  ARG   2           2HG      ARG   2 -14.515   3.885  -0.706
   10    HD2  ARG   2           1HD      ARG   2 -16.556   3.427  -1.484
   11    HD3  ARG   2           2HD      ARG   2 -15.929   2.065  -2.427
   12    HE   ARG   2           HE       ARG   2 -16.113   1.302   0.272
   13   HH11  ARG   2          1HH1      ARG   2 -18.140   2.061  -2.455
   14   HH12  ARG   2          2HH1      ARG   2 -19.444   1.048  -1.933
   15   HH21  ARG   2          1HH2      ARG   2 -17.825  -0.035   0.970
   16   HH22  ARG   2          2HH2      ARG   2 -19.264  -0.144   0.016
   17    H    TYR   3           H        TYR   3  -9.670   1.853  -1.508
   18    HA   TYR   3           HA       TYR   3  -9.144   1.741  -4.327
   19    HB2  TYR   3           1HB      TYR   3  -9.358   4.131  -4.170
   20    HB3  TYR   3           2HB      TYR   3  -8.319   4.178  -2.743
   21    HD1  TYR   3           2HD      TYR   3  -8.070   2.791  -6.213
   22    HD2  TYR   3           1HD      TYR   3  -6.213   5.021  -3.103
   23    HE1  TYR   3           2HE      TYR   3  -6.094   3.122  -7.640
   24    HE2  TYR   3           1HE      TYR   3  -4.231   5.361  -4.522
   25    HH   TYR   3           HH       TYR   3  -3.451   3.625  -7.037
   26    H    ARG   4           H        ARG   4  -7.044   1.046  -4.806
   27    HA   ARG   4           HA       ARG   4  -5.601  -0.030  -2.491
   28    HB2  ARG   4           1HB      ARG   4  -6.424  -1.497  -4.429
   29    HB3  ARG   4           2HB      ARG   4  -5.115  -0.764  -5.369
   30    HG2  ARG   4           1HG      ARG   4  -3.796  -1.546  -3.102
   31    HG3  ARG   4           2HG      ARG   4  -5.012  -2.822  -3.299
   32    HD2  ARG   4           1HD      ARG   4  -4.149  -2.590  -5.856
   33    HD3  ARG   4           2HD      ARG   4  -2.678  -2.153  -4.973
   34    HE   ARG   4           HE       ARG   4  -2.437  -4.347  -4.408
   35   HH11  ARG   4          1HH1      ARG   4  -5.773  -3.776  -5.226
   36   HH12  ARG   4          2HH1      ARG   4  -6.228  -5.442  -5.088
   37   HH21  ARG   4          1HH2      ARG   4  -3.023  -6.544  -4.224
   38   HH22  ARG   4          2HH2      ARG   4  -4.662  -7.014  -4.517
   39    H    ARG   5           H        ARG   5  -3.749   0.855  -1.869
   40    HA   ARG   5           HA       ARG   5  -2.292   2.549  -3.791
   41    HB2  ARG   5           1HB      ARG   5  -2.122   2.833  -0.797
   42    HB3  ARG   5           2HB      ARG   5  -1.667   4.003  -2.043
   43    HG2  ARG   5           1HG      ARG   5  -4.317   3.704  -2.568
   44    HG3  ARG   5           2HG      ARG   5  -4.275   3.483  -0.812
   45    HD2  ARG   5           1HD      ARG   5  -4.633   5.836  -1.404
   46    HD3  ARG   5           2HD      ARG   5  -3.103   5.599  -0.548
   47    HE   ARG   5           HE       ARG   5  -2.446   5.460  -3.203
   48   HH11  ARG   5          1HH1      ARG   5  -4.007   7.794  -1.144
   49   HH12  ARG   5          2HH1      ARG   5  -3.464   9.160  -2.062
   50   HH21  ARG   5          1HH2      ARG   5  -1.726   7.250  -4.420
   51   HH22  ARG   5          2HH2      ARG   5  -2.168   8.850  -3.925
   52    H    CYS   6           H        CYS   6   0.027   2.607  -3.589
   53    HA   CYS   6           HA       CYS   6   1.232   0.375  -2.127
   54    HB2  CYS   6           1HB      CYS   6   1.369   0.862  -5.089
   55    HB3  CYS   6           2HB      CYS   6   2.660  -0.015  -4.249
   56    H    ILE   7           H        ILE   7   2.807   1.176  -0.921
   57    HA   ILE   7           HA       ILE   7   4.288   3.523  -1.912
   58    HB   ILE   7           HB       ILE   7   4.849   3.953   0.485
   59   HG12  ILE   7          1HG1      ILE   7   2.607   2.042   1.129
   60   HG13  ILE   7          2HG1      ILE   7   4.302   1.525   1.134
   61   HG21  ILE   7          1HG2      ILE   7   1.878   3.908   0.018
   62   HG22  ILE   7          2HG2      ILE   7   2.812   5.057   0.975
   63   HG23  ILE   7          3HG2      ILE   7   2.964   5.045  -0.781
   64   HD11  ILE   7          3HD1      ILE   7   3.495   2.102   3.374
   65   HD12  ILE   7          1HD1      ILE   7   4.835   3.126   2.858
   66   HD13  ILE   7          2HD1      ILE   7   3.184   3.747   2.825
   67    HA   PRO   8           HA       PRO   8   8.036   1.238  -1.945
   68    HB2  PRO   8           1HB      PRO   8   9.845   3.181  -1.277
   69    HB3  PRO   8           2HB      PRO   8   9.028   3.108  -2.837
   70    HG2  PRO   8           1HG      PRO   8   8.352   4.735  -0.411
   71    HG3  PRO   8           2HG      PRO   8   8.412   5.239  -2.140
   72    HD2  PRO   8           1HD      PRO   8   6.087   4.690  -0.851
   73    HD3  PRO   8           2HD      PRO   8   6.331   4.346  -2.573
   74    H    GLY   9           H        GLY   9   8.760  -0.208  -0.519
   75    HA2  GLY   9           2HA      GLY   9   8.852   0.553   2.326
   76    HA3  GLY   9           3HA      GLY   9   8.684  -1.088   1.721
   77    H    MET  10           H        MET  10  10.468  -1.312   3.385
   78    HA   MET  10           HA       MET  10  13.083  -0.560   2.289
   79    HB2  MET  10           1HB      MET  10  12.242  -0.188   4.776
   80    HB3  MET  10           2HB      MET  10  12.791  -1.860   4.959
   81    HG2  MET  10           1HG      MET  10  14.640  -0.606   5.599
   82    HG3  MET  10           2HG      MET  10  14.988  -1.066   3.932
   83    HE1  MET  10           3HE      MET  10  16.274   2.490   5.208
   84    HE2  MET  10           1HE      MET  10  14.792   2.458   6.163
   85    HE3  MET  10           2HE      MET  10  15.834   1.037   6.107
   86    H    PHE  11           H        PHE  11  11.022  -3.265   2.930
   87    HA   PHE  11           HA       PHE  11  13.172  -5.092   2.081
   88    HB2  PHE  11           1HB      PHE  11  10.706  -5.848   3.661
   89    HB3  PHE  11           2HB      PHE  11  12.119  -6.854   3.336
   90    HD1  PHE  11           2HD      PHE  11  14.229  -6.487   4.499
   91    HD2  PHE  11           1HD      PHE  11  10.768  -4.178   5.399
   92    HE1  PHE  11           2HE      PHE  11  15.280  -5.734   6.593
   93    HE2  PHE  11           1HE      PHE  11  11.813  -3.421   7.494
   94    HZ   PHE  11           HZ       PHE  11  14.070  -4.200   8.094
   95    H    ARG  12           H        ARG  12   9.748  -4.295   1.782
   96    HA   ARG  12           HA       ARG  12   9.733  -5.267  -0.935
   97    HB2  ARG  12           1HB      ARG  12   7.584  -6.622  -0.398
   98    HB3  ARG  12           2HB      ARG  12   9.165  -7.350  -0.078
   99    HG2  ARG  12           1HG      ARG  12   8.991  -6.847   2.276
  100    HG3  ARG  12           2HG      ARG  12   7.475  -5.976   1.999
  101    HD2  ARG  12           1HD      ARG  12   6.254  -7.863   1.947
  102    HD3  ARG  12           2HD      ARG  12   7.450  -8.698   0.946
  103    HE   ARG  12           HE       ARG  12   7.178  -8.859   3.785
  104   HH11  ARG  12          1HH1      ARG  12   9.451  -9.051   1.157
  105   HH12  ARG  12          2HH1      ARG  12  10.559 -10.066   2.017
  106   HH21  ARG  12          1HH2      ARG  12   8.630 -10.195   4.929
  107   HH22  ARG  12          2HH2      ARG  12  10.091 -10.718   4.161
  108    H    ALA  13           H        ALA  13   7.539  -4.892  -1.956
  109    HA   ALA  13           HA       ALA  13   6.761  -2.223  -1.563
  110    HB1  ALA  13           1HB      ALA  13   5.647  -4.499  -3.149
  111    HB2  ALA  13           2HB      ALA  13   4.755  -2.983  -3.027
  112    HB3  ALA  13           3HB      ALA  13   6.383  -2.997  -3.708
  113    H    TYR  14           H        TYR  14   5.384  -1.308  -0.188
  114    HA   TYR  14           HA       TYR  14   3.640  -3.058   1.404
  115    HB2  TYR  14           1HB      TYR  14   5.446  -1.499   2.446
  116    HB3  TYR  14           2HB      TYR  14   4.281  -0.213   2.120
  117    HD1  TYR  14           1HD      TYR  14   1.806  -0.734   2.952
  118    HD2  TYR  14           2HD      TYR  14   5.333  -2.519   4.527
  119    HE1  TYR  14           1HE      TYR  14   0.606  -1.253   5.035
  120    HE2  TYR  14           2HE      TYR  14   4.144  -3.044   6.613
  121    HH   TYR  14           HH       TYR  14   2.269  -2.699   7.800
  122    H    CYS  15           H        CYS  15   1.761  -3.185   0.289
  123    HA   CYS  15           HA       CYS  15   0.516  -0.690  -0.632
  124    HB2  CYS  15           1HB      CYS  15  -0.225  -3.556  -1.252
  125    HB3  CYS  15           2HB      CYS  15  -0.951  -2.112  -1.979
  126    H    TYR  16           H        TYR  16  -1.775  -0.375  -0.250
  127    HA   TYR  16           HA       TYR  16  -3.027  -1.924   1.852
  128    HB2  TYR  16           1HB      TYR  16  -3.450   0.114   3.255
  129    HB3  TYR  16           2HB      TYR  16  -1.770  -0.427   3.233
  130    HD1  TYR  16           1HD      TYR  16  -4.073   2.215   2.175
  131    HD2  TYR  16           2HD      TYR  16  -0.035   0.874   2.132
  132    HE1  TYR  16           1HE      TYR  16  -3.342   4.455   1.470
  133    HE2  TYR  16           2HE      TYR  16   0.706   3.110   1.428
  134    HH   TYR  16           HH       TYR  16  -0.712   5.717   1.787
  135    H    MET  17           H        MET  17  -5.216  -0.804   2.438
  136    HA   MET  17           HA       MET  17  -6.449  -0.002  -0.107
  137    HB2  MET  17           1HB      MET  17  -7.402  -1.572   2.250
  138    HB3  MET  17           2HB      MET  17  -8.587  -0.649   1.314
  139    HG2  MET  17           1HG      MET  17  -7.812  -1.821  -0.740
  140    HG3  MET  17           2HG      MET  17  -6.767  -2.810   0.284
  141    HE1  MET  17           3HE      MET  17 -11.147  -2.999  -0.519
  142    HE2  MET  17           1HE      MET  17  -9.841  -2.081  -1.269
  143    HE3  MET  17           2HE      MET  17 -10.000  -3.807  -1.590
  144    H    ASP  18           H        ASP  18  -6.190   2.202  -0.058
  145    HA   ASP  18           HA       ASP  18  -6.761   3.775   2.262
  146    HB2  ASP  18           1HB      ASP  18  -5.141   4.555   0.621
  147    HB3  ASP  18           2HB      ASP  18  -6.388   4.570  -0.632
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -8.840   3.247   2.698
    2    HA2  GLY   1           2HA      GLY   1 -11.130   3.232   2.534
    3    HA3  GLY   1           3HA      GLY   1 -10.920   4.495   1.332
    4    H    ARG   2           H        ARG   2 -11.693   4.069  -0.619
    5    HA   ARG   2           HA       ARG   2 -12.261   1.278  -1.313
    6    HB2  ARG   2           1HB      ARG   2 -13.417   3.916  -2.151
    7    HB3  ARG   2           2HB      ARG   2 -13.601   2.502  -3.198
    8    HG2  ARG   2           1HG      ARG   2 -14.826   1.311  -1.551
    9    HG3  ARG   2           2HG      ARG   2 -14.430   2.512  -0.310
   10    HD2  ARG   2           1HD      ARG   2 -15.957   3.266  -2.794
   11    HD3  ARG   2           2HD      ARG   2 -16.766   2.598  -1.370
   12    HE   ARG   2           HE       ARG   2 -15.801   5.250  -1.684
   13   HH11  ARG   2          1HH1      ARG   2 -16.227   2.717   0.666
   14   HH12  ARG   2          2HH1      ARG   2 -16.341   3.806   2.010
   15   HH21  ARG   2          1HH2      ARG   2 -15.951   6.693   0.077
   16   HH22  ARG   2          2HH2      ARG   2 -16.187   6.065   1.674
   17    H    TYR   3           H        TYR   3  -9.608   1.979  -1.517
   18    HA   TYR   3           HA       TYR   3  -9.121   1.467  -4.302
   19    HB2  TYR   3           1HB      TYR   3  -9.296   3.869  -4.450
   20    HB3  TYR   3           2HB      TYR   3  -8.210   4.074  -3.072
   21    HD1  TYR   3           2HD      TYR   3  -8.112   2.262  -6.346
   22    HD2  TYR   3           1HD      TYR   3  -6.088   4.786  -3.584
   23    HE1  TYR   3           2HE      TYR   3  -6.175   2.354  -7.860
   24    HE2  TYR   3           1HE      TYR   3  -4.145   4.886  -5.091
   25    HH   TYR   3           HH       TYR   3  -4.262   3.646  -8.323
   26    H    ARG   4           H        ARG   4  -7.024   0.698  -4.707
   27    HA   ARG   4           HA       ARG   4  -5.584  -0.106  -2.282
   28    HB2  ARG   4           1HB      ARG   4  -6.444  -1.761  -4.081
   29    HB3  ARG   4           2HB      ARG   4  -5.062  -1.198  -5.032
   30    HG2  ARG   4           1HG      ARG   4  -3.677  -2.533  -3.934
   31    HG3  ARG   4           2HG      ARG   4  -4.202  -1.859  -2.381
   32    HD2  ARG   4           1HD      ARG   4  -5.949  -3.435  -2.153
   33    HD3  ARG   4           2HD      ARG   4  -5.823  -3.917  -3.851
   34    HE   ARG   4           HE       ARG   4  -3.381  -4.516  -2.749
   35   HH11  ARG   4          1HH1      ARG   4  -6.694  -5.394  -2.141
   36   HH12  ARG   4          2HH1      ARG   4  -6.301  -6.965  -1.523
   37   HH21  ARG   4          1HH2      ARG   4  -2.851  -6.580  -1.939
   38   HH22  ARG   4          2HH2      ARG   4  -4.114  -7.638  -1.410
   39    H    ARG   5           H        ARG   5  -3.855   1.039  -1.747
   40    HA   ARG   5           HA       ARG   5  -2.374   2.446  -3.859
   41    HB2  ARG   5           1HB      ARG   5  -2.286   2.916  -0.869
   42    HB3  ARG   5           2HB      ARG   5  -1.555   3.926  -2.126
   43    HG2  ARG   5           1HG      ARG   5  -3.959   4.204  -3.016
   44    HG3  ARG   5           2HG      ARG   5  -4.443   3.614  -1.416
   45    HD2  ARG   5           1HD      ARG   5  -4.432   5.977  -1.254
   46    HD3  ARG   5           2HD      ARG   5  -2.968   5.415  -0.436
   47    HE   ARG   5           HE       ARG   5  -1.693   6.434  -2.055
   48   HH11  ARG   5          1HH1      ARG   5  -5.022   6.336  -3.070
   49   HH12  ARG   5          2HH1      ARG   5  -4.776   7.385  -4.426
   50   HH21  ARG   5          1HH2      ARG   5  -1.356   7.818  -3.837
   51   HH22  ARG   5          2HH2      ARG   5  -2.690   8.227  -4.861
   52    H    CYS   6           H        CYS   6  -0.007   2.609  -3.567
   53    HA   CYS   6           HA       CYS   6   1.184   0.364  -2.112
   54    HB2  CYS   6           1HB      CYS   6   1.403   0.900  -5.063
   55    HB3  CYS   6           2HB      CYS   6   2.657  -0.001  -4.199
   56    H    ILE   7           H        ILE   7   2.725   1.162  -0.861
   57    HA   ILE   7           HA       ILE   7   4.190   3.549  -1.773
   58    HB   ILE   7           HB       ILE   7   4.731   3.906   0.640
   59   HG12  ILE   7          1HG1      ILE   7   2.469   2.074   1.334
   60   HG13  ILE   7          2HG1      ILE   7   4.082   1.384   1.092
   61   HG21  ILE   7          1HG2      ILE   7   1.761   3.833   0.179
   62   HG22  ILE   7          2HG2      ILE   7   2.689   4.980   1.142
   63   HG23  ILE   7          3HG2      ILE   7   2.822   4.995  -0.615
   64   HD11  ILE   7          3HD1      ILE   7   3.238   3.402   3.146
   65   HD12  ILE   7          1HD1      ILE   7   3.873   1.777   3.403
   66   HD13  ILE   7          2HD1      ILE   7   4.927   3.047   2.783
   67    HA   PRO   8           HA       PRO   8   7.974   1.322  -1.856
   68    HB2  PRO   8           1HB      PRO   8   9.750   3.271  -1.111
   69    HB3  PRO   8           2HB      PRO   8   8.942   3.237  -2.677
   70    HG2  PRO   8           1HG      PRO   8   8.226   4.770  -0.201
   71    HG3  PRO   8           2HG      PRO   8   8.289   5.335  -1.914
   72    HD2  PRO   8           1HD      PRO   8   5.963   4.710  -0.662
   73    HD3  PRO   8           2HD      PRO   8   6.224   4.425  -2.391
   74    H    GLY   9           H        GLY   9   8.708  -0.159  -0.473
   75    HA2  GLY   9           2HA      GLY   9   8.761   0.501   2.396
   76    HA3  GLY   9           3HA      GLY   9   8.643  -1.121   1.730
   77    H    MET  10           H        MET  10  10.415  -1.340   3.416
   78    HA   MET  10           HA       MET  10  13.022  -0.484   2.379
   79    HB2  MET  10           1HB      MET  10  12.140  -0.237   4.867
   80    HB3  MET  10           2HB      MET  10  12.734  -1.899   4.990
   81    HG2  MET  10           1HG      MET  10  14.897  -1.290   4.935
   82    HG3  MET  10           2HG      MET  10  14.606  -0.023   3.742
   83    HE1  MET  10           3HE      MET  10  16.239   2.247   5.871
   84    HE2  MET  10           1HE      MET  10  16.563   0.807   6.836
   85    HE3  MET  10           2HE      MET  10  16.558   0.704   5.076
   86    H    PHE  11           H        PHE  11  11.026  -3.266   2.876
   87    HA   PHE  11           HA       PHE  11  13.232  -4.998   1.973
   88    HB2  PHE  11           1HB      PHE  11  10.792  -5.888   3.521
   89    HB3  PHE  11           2HB      PHE  11  12.232  -6.836   3.157
   90    HD1  PHE  11           2HD      PHE  11  14.501  -5.705   4.002
   91    HD2  PHE  11           1HD      PHE  11  10.638  -5.035   5.654
   92    HE1  PHE  11           2HE      PHE  11  15.534  -5.005   6.123
   93    HE2  PHE  11           1HE      PHE  11  11.663  -4.331   7.777
   94    HZ   PHE  11           HZ       PHE  11  14.115  -4.318   8.014
   95    H    ARG  12           H        ARG  12   9.787  -4.290   1.702
   96    HA   ARG  12           HA       ARG  12   9.801  -5.160  -1.052
   97    HB2  ARG  12           1HB      ARG  12   7.689  -6.593  -0.566
   98    HB3  ARG  12           2HB      ARG  12   9.289  -7.289  -0.272
   99    HG2  ARG  12           1HG      ARG  12   9.089  -7.129   2.043
  100    HG3  ARG  12           2HG      ARG  12   7.783  -5.937   1.932
  101    HD2  ARG  12           1HD      ARG  12   6.207  -7.567   1.231
  102    HD3  ARG  12           2HD      ARG  12   7.483  -8.755   0.927
  103    HE   ARG  12           HE       ARG  12   7.462  -7.961   3.653
  104   HH11  ARG  12          1HH1      ARG  12   5.787  -9.942   1.331
  105   HH12  ARG  12          2HH1      ARG  12   5.200 -11.063   2.514
  106   HH21  ARG  12          1HH2      ARG  12   6.695  -9.427   5.221
  107   HH22  ARG  12          2HH2      ARG  12   5.716 -10.768   4.729
  108    H    ALA  13           H        ALA  13   7.599  -4.810  -2.062
  109    HA   ALA  13           HA       ALA  13   6.749  -2.180  -1.586
  110    HB1  ALA  13           1HB      ALA  13   5.049  -2.582  -3.235
  111    HB2  ALA  13           2HB      ALA  13   6.534  -3.383  -3.745
  112    HB3  ALA  13           3HB      ALA  13   5.220  -4.327  -3.047
  113    H    TYR  14           H        TYR  14   5.255  -1.315  -0.283
  114    HA   TYR  14           HA       TYR  14   3.585  -3.159   1.293
  115    HB2  TYR  14           1HB      TYR  14   5.381  -1.620   2.393
  116    HB3  TYR  14           2HB      TYR  14   4.193  -0.340   2.133
  117    HD1  TYR  14           2HD      TYR  14   1.789  -0.781   3.033
  118    HD2  TYR  14           1HD      TYR  14   5.238  -2.900   4.342
  119    HE1  TYR  14           2HE      TYR  14   0.610  -1.412   5.096
  120    HE2  TYR  14           1HE      TYR  14   4.069  -3.539   6.409
  121    HH   TYR  14           HH       TYR  14   2.164  -2.665   7.793
  122    H    CYS  15           H        CYS  15   1.707  -3.252   0.172
  123    HA   CYS  15           HA       CYS  15   0.447  -0.735  -0.659
  124    HB2  CYS  15           1HB      CYS  15  -0.320  -3.579  -1.344
  125    HB3  CYS  15           2HB      CYS  15  -1.014  -2.109  -2.049
  126    H    TYR  16           H        TYR  16  -1.821  -0.404  -0.230
  127    HA   TYR  16           HA       TYR  16  -3.083  -2.023   1.812
  128    HB2  TYR  16           1HB      TYR  16  -3.462  -0.051   3.311
  129    HB3  TYR  16           2HB      TYR  16  -1.785  -0.603   3.243
  130    HD1  TYR  16           2HD      TYR  16  -4.088   2.079   2.242
  131    HD2  TYR  16           1HD      TYR  16  -0.045   0.757   2.278
  132    HE1  TYR  16           2HE      TYR  16  -3.347   4.343   1.632
  133    HE2  TYR  16           1HE      TYR  16   0.707   3.018   1.670
  134    HH   TYR  16           HH       TYR  16  -0.334   5.043   0.469
  135    H    MET  17           H        MET  17  -5.249  -0.896   2.464
  136    HA   MET  17           HA       MET  17  -6.510  -0.042  -0.043
  137    HB2  MET  17           1HB      MET  17  -7.435  -1.539   2.365
  138    HB3  MET  17           2HB      MET  17  -8.621  -0.548   1.502
  139    HG2  MET  17           1HG      MET  17  -6.912  -2.634   0.155
  140    HG3  MET  17           2HG      MET  17  -8.519  -2.952   0.814
  141    HE1  MET  17           3HE      MET  17  -8.671  -3.978  -1.340
  142    HE2  MET  17           1HE      MET  17  -9.991  -3.228  -2.238
  143    HE3  MET  17           2HE      MET  17  -8.352  -3.199  -2.891
  144    H    ASP  18           H        ASP  18  -6.108   2.152  -0.038
  145    HA   ASP  18           HA       ASP  18  -6.609   3.788   2.264
  146    HB2  ASP  18           1HB      ASP  18  -4.927   4.266   0.413
  147    HB3  ASP  18           2HB      ASP  18  -6.310   4.739  -0.583
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -8.780   3.284   2.693
    2    HA2  GLY   1           2HA      GLY   1 -11.070   3.305   2.548
    3    HA3  GLY   1           3HA      GLY   1 -10.852   4.547   1.323
    4    H    ARG   2           H        ARG   2 -11.637   4.100  -0.620
    5    HA   ARG   2           HA       ARG   2 -12.244   1.303  -1.266
    6    HB2  ARG   2           1HB      ARG   2 -13.389   3.939  -2.125
    7    HB3  ARG   2           2HB      ARG   2 -13.594   2.511  -3.151
    8    HG2  ARG   2           1HG      ARG   2 -14.395   1.449  -0.836
    9    HG3  ARG   2           2HG      ARG   2 -14.799   3.145  -0.527
   10    HD2  ARG   2           1HD      ARG   2 -15.934   3.098  -2.842
   11    HD3  ARG   2           2HD      ARG   2 -15.823   1.340  -2.692
   12    HE   ARG   2           HE       ARG   2 -17.547   1.401  -1.198
   13   HH11  ARG   2          1HH1      ARG   2 -16.168   4.588  -1.450
   14   HH12  ARG   2          2HH1      ARG   2 -17.383   5.333  -0.466
   15   HH21  ARG   2          1HH2      ARG   2 -19.154   2.371   0.100
   16   HH22  ARG   2          2HH2      ARG   2 -19.080   4.074   0.415
   17    H    TYR   3           H        TYR   3  -9.587   1.989  -1.508
   18    HA   TYR   3           HA       TYR   3  -9.132   1.429  -4.288
   19    HB2  TYR   3           1HB      TYR   3  -9.302   3.828  -4.473
   20    HB3  TYR   3           2HB      TYR   3  -8.199   4.053  -3.113
   21    HD1  TYR   3           2HD      TYR   3  -8.144   2.185  -6.357
   22    HD2  TYR   3           1HD      TYR   3  -6.080   4.750  -3.663
   23    HE1  TYR   3           2HE      TYR   3  -6.224   2.245  -7.893
   24    HE2  TYR   3           1HE      TYR   3  -4.154   4.818  -5.192
   25    HH   TYR   3           HH       TYR   3  -3.505   4.381  -7.354
   26    H    ARG   4           H        ARG   4  -7.042   0.646  -4.704
   27    HA   ARG   4           HA       ARG   4  -5.584  -0.134  -2.285
   28    HB2  ARG   4           1HB      ARG   4  -6.456  -1.798  -4.068
   29    HB3  ARG   4           2HB      ARG   4  -5.075  -1.246  -5.027
   30    HG2  ARG   4           1HG      ARG   4  -3.570  -2.354  -3.775
   31    HG3  ARG   4           2HG      ARG   4  -4.444  -2.027  -2.267
   32    HD2  ARG   4           1HD      ARG   4  -6.194  -3.709  -3.163
   33    HD3  ARG   4           2HD      ARG   4  -4.912  -4.201  -4.277
   34    HE   ARG   4           HE       ARG   4  -3.944  -4.169  -1.616
   35   HH11  ARG   4          1HH1      ARG   4  -5.975  -5.994  -3.778
   36   HH12  ARG   4          2HH1      ARG   4  -5.712  -7.499  -2.962
   37   HH21  ARG   4          1HH2      ARG   4  -3.590  -6.146  -0.535
   38   HH22  ARG   4          2HH2      ARG   4  -4.356  -7.585  -1.118
   39    H    ARG   5           H        ARG   5  -3.856   1.019  -1.766
   40    HA   ARG   5           HA       ARG   5  -2.380   2.401  -3.899
   41    HB2  ARG   5           1HB      ARG   5  -2.319   2.915  -0.918
   42    HB3  ARG   5           2HB      ARG   5  -1.546   3.896  -2.174
   43    HG2  ARG   5           1HG      ARG   5  -3.923   4.205  -3.118
   44    HG3  ARG   5           2HG      ARG   5  -4.457   3.630  -1.529
   45    HD2  ARG   5           1HD      ARG   5  -3.498   5.455  -0.400
   46    HD3  ARG   5           2HD      ARG   5  -2.471   5.863  -1.783
   47    HE   ARG   5           HE       ARG   5  -5.219   6.635  -1.373
   48   HH11  ARG   5          1HH1      ARG   5  -2.655   6.205  -3.686
   49   HH12  ARG   5          2HH1      ARG   5  -3.332   7.306  -4.839
   50   HH21  ARG   5          1HH2      ARG   5  -6.122   8.087  -2.881
   51   HH22  ARG   5          2HH2      ARG   5  -5.304   8.377  -4.380
   52    H    CYS   6           H        CYS   6  -0.010   2.585  -3.587
   53    HA   CYS   6           HA       CYS   6   1.179   0.351  -2.112
   54    HB2  CYS   6           1HB      CYS   6   1.424   0.880  -5.065
   55    HB3  CYS   6           2HB      CYS   6   2.669  -0.021  -4.183
   56    H    ILE   7           H        ILE   7   2.708   1.158  -0.853
   57    HA   ILE   7           HA       ILE   7   4.166   3.551  -1.756
   58    HB   ILE   7           HB       ILE   7   4.695   3.907   0.660
   59   HG12  ILE   7          1HG1      ILE   7   2.467   1.974   1.256
   60   HG13  ILE   7          2HG1      ILE   7   4.148   1.421   1.175
   61   HG21  ILE   7          1HG2      ILE   7   2.758   4.953  -0.631
   62   HG22  ILE   7          2HG2      ILE   7   1.724   3.819   0.238
   63   HG23  ILE   7          3HG2      ILE   7   2.675   5.004   1.130
   64   HD11  ILE   7          3HD1      ILE   7   3.049   2.167   3.450
   65   HD12  ILE   7          1HD1      ILE   7   4.747   2.479   3.093
   66   HD13  ILE   7          2HD1      ILE   7   3.555   3.763   2.893
   67    HA   PRO   8           HA       PRO   8   7.962   1.345  -1.828
   68    HB2  PRO   8           1HB      PRO   8   9.725   3.304  -1.074
   69    HB3  PRO   8           2HB      PRO   8   8.923   3.267  -2.643
   70    HG2  PRO   8           1HG      PRO   8   8.188   4.793  -0.166
   71    HG3  PRO   8           2HG      PRO   8   8.255   5.360  -1.878
   72    HD2  PRO   8           1HD      PRO   8   5.928   4.720  -0.636
   73    HD3  PRO   8           2HD      PRO   8   6.198   4.439  -2.365
   74    H    GLY   9           H        GLY   9   8.699  -0.134  -0.446
   75    HA2  GLY   9           2HA      GLY   9   8.744   0.527   2.425
   76    HA3  GLY   9           3HA      GLY   9   8.626  -1.097   1.759
   77    H    MET  10           H        MET  10  10.392  -1.367   3.416
   78    HA   MET  10           HA       MET  10  13.002  -0.487   2.403
   79    HB2  MET  10           1HB      MET  10  12.116  -0.267   4.892
   80    HB3  MET  10           2HB      MET  10  12.708  -1.934   4.994
   81    HG2  MET  10           1HG      MET  10  14.850  -1.305   5.049
   82    HG3  MET  10           2HG      MET  10  14.618  -0.129   3.750
   83    HE1  MET  10           3HE      MET  10  15.989  -0.636   6.646
   84    HE2  MET  10           1HE      MET  10  16.146   0.953   7.392
   85    HE3  MET  10           2HE      MET  10  14.902  -0.164   7.952
   86    H    PHE  11           H        PHE  11  11.014  -3.282   2.894
   87    HA   PHE  11           HA       PHE  11  13.220  -5.000   1.967
   88    HB2  PHE  11           1HB      PHE  11  10.769  -5.906   3.493
   89    HB3  PHE  11           2HB      PHE  11  12.215  -6.850   3.127
   90    HD1  PHE  11           1HD      PHE  11  14.372  -6.312   4.237
   91    HD2  PHE  11           2HD      PHE  11  10.703  -4.490   5.395
   92    HE1  PHE  11           1HE      PHE  11  15.386  -5.633   6.372
   93    HE2  PHE  11           2HE      PHE  11  11.713  -3.807   7.532
   94    HZ   PHE  11           HZ       PHE  11  14.059  -4.378   8.023
   95    H    ARG  12           H        ARG  12   9.774  -4.290   1.688
   96    HA   ARG  12           HA       ARG  12   9.801  -5.126  -1.076
   97    HB2  ARG  12           1HB      ARG  12   7.690  -6.567  -0.619
   98    HB3  ARG  12           2HB      ARG  12   9.292  -7.264  -0.327
   99    HG2  ARG  12           1HG      ARG  12   9.096  -6.947   2.035
  100    HG3  ARG  12           2HG      ARG  12   7.603  -6.017   1.826
  101    HD2  ARG  12           1HD      ARG  12   7.938  -8.921   1.043
  102    HD3  ARG  12           2HD      ARG  12   7.225  -8.360   2.563
  103    HE   ARG  12           HE       ARG  12   5.954  -8.453   0.014
  104   HH11  ARG  12          1HH1      ARG  12   6.084  -6.684   3.011
  105   HH12  ARG  12          2HH1      ARG  12   4.459  -6.097   2.885
  106   HH21  ARG  12          1HH2      ARG  12   3.813  -7.687  -0.161
  107   HH22  ARG  12          2HH2      ARG  12   3.168  -6.669   1.082
  108    H    ALA  13           H        ALA  13   7.602  -4.766  -2.089
  109    HA   ALA  13           HA       ALA  13   6.744  -2.144  -1.584
  110    HB1  ALA  13           1HB      ALA  13   6.138  -4.238  -3.464
  111    HB2  ALA  13           2HB      ALA  13   4.668  -3.400  -2.966
  112    HB3  ALA  13           3HB      ALA  13   6.014  -2.490  -3.652
  113    H    TYR  14           H        TYR  14   5.251  -1.301  -0.266
  114    HA   TYR  14           HA       TYR  14   3.582  -3.168   1.281
  115    HB2  TYR  14           1HB      TYR  14   5.364  -1.625   2.400
  116    HB3  TYR  14           2HB      TYR  14   4.168  -0.353   2.145
  117    HD1  TYR  14           2HD      TYR  14   1.791  -0.755   3.068
  118    HD2  TYR  14           1HD      TYR  14   5.197  -2.983   4.304
  119    HE1  TYR  14           2HE      TYR  14   0.608  -1.412   5.123
  120    HE2  TYR  14           1HE      TYR  14   4.025  -3.647   6.362
  121    HH   TYR  14           HH       TYR  14   0.857  -2.334   7.176
  122    H    CYS  15           H        CYS  15   1.709  -3.265   0.154
  123    HA   CYS  15           HA       CYS  15   0.435  -0.754  -0.669
  124    HB2  CYS  15           1HB      CYS  15  -0.325  -3.598  -1.355
  125    HB3  CYS  15           2HB      CYS  15  -1.015  -2.128  -2.064
  126    H    TYR  16           H        TYR  16  -1.824  -0.418  -0.230
  127    HA   TYR  16           HA       TYR  16  -3.090  -2.052   1.799
  128    HB2  TYR  16           1HB      TYR  16  -3.459  -0.094   3.318
  129    HB3  TYR  16           2HB      TYR  16  -1.784  -0.647   3.240
  130    HD1  TYR  16           1HD      TYR  16  -4.089   2.033   2.207
  131    HD2  TYR  16           2HD      TYR  16  -0.040   0.734   2.349
  132    HE1  TYR  16           1HE      TYR  16  -3.347   4.303   1.618
  133    HE2  TYR  16           2HE      TYR  16   0.713   3.001   1.759
  134    HH   TYR  16           HH       TYR  16   0.017   5.011   0.919
  135    H    MET  17           H        MET  17  -5.251  -0.919   2.463
  136    HA   MET  17           HA       MET  17  -6.519  -0.057  -0.038
  137    HB2  MET  17           1HB      MET  17  -7.434  -1.531   2.384
  138    HB3  MET  17           2HB      MET  17  -8.621  -0.524   1.540
  139    HG2  MET  17           1HG      MET  17  -8.061  -1.733  -0.572
  140    HG3  MET  17           2HG      MET  17  -7.046  -2.811   0.388
  141    HE1  MET  17           3HE      MET  17  -9.819  -2.628  -1.465
  142    HE2  MET  17           1HE      MET  17 -11.073  -3.662  -0.786
  143    HE3  MET  17           2HE      MET  17 -11.020  -1.951  -0.364
  144    H    ASP  18           H        ASP  18  -6.075   2.131  -0.048
  145    HA   ASP  18           HA       ASP  18  -6.548   3.792   2.241
  146    HB2  ASP  18           1HB      ASP  18  -4.884   4.210   0.333
  147    HB3  ASP  18           2HB      ASP  18  -6.281   4.757  -0.602
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -8.941   3.087   2.741
    2    HA2  GLY   1           2HA      GLY   1 -11.212   2.783   2.600
    3    HA3  GLY   1           3HA      GLY   1 -11.202   4.174   1.528
    4    H    ARG   2           H        ARG   2 -12.003   3.827  -0.425
    5    HA   ARG   2           HA       ARG   2 -12.247   1.074  -1.380
    6    HB2  ARG   2           1HB      ARG   2 -13.624   3.662  -2.019
    7    HB3  ARG   2           2HB      ARG   2 -13.662   2.337  -3.191
    8    HG2  ARG   2           1HG      ARG   2 -14.653   0.861  -1.495
    9    HG3  ARG   2           2HG      ARG   2 -14.654   2.212  -0.353
   10    HD2  ARG   2           1HD      ARG   2 -16.751   2.560  -1.112
   11    HD3  ARG   2           2HD      ARG   2 -15.918   3.344  -2.462
   12    HE   ARG   2           HE       ARG   2 -16.069   0.705  -3.174
   13   HH11  ARG   2          1HH1      ARG   2 -18.353   3.171  -2.269
   14   HH12  ARG   2          2HH1      ARG   2 -19.639   2.518  -3.231
   15   HH21  ARG   2          1HH2      ARG   2 -17.752  -0.164  -4.445
   16   HH22  ARG   2          2HH2      ARG   2 -19.296   0.620  -4.468
   17    H    TYR   3           H        TYR   3  -9.676   1.825  -1.516
   18    HA   TYR   3           HA       TYR   3  -9.147   1.715  -4.334
   19    HB2  TYR   3           1HB      TYR   3  -9.370   4.108  -4.174
   20    HB3  TYR   3           2HB      TYR   3  -8.330   4.157  -2.750
   21    HD1  TYR   3           2HD      TYR   3  -8.078   2.770  -6.220
   22    HD2  TYR   3           1HD      TYR   3  -6.228   5.011  -3.113
   23    HE1  TYR   3           2HE      TYR   3  -6.105   3.109  -7.648
   24    HE2  TYR   3           1HE      TYR   3  -4.250   5.358  -4.533
   25    HH   TYR   3           HH       TYR   3  -3.713   3.617  -7.394
   26    H    ARG   4           H        ARG   4  -7.042   1.032  -4.810
   27    HA   ARG   4           HA       ARG   4  -5.596  -0.037  -2.492
   28    HB2  ARG   4           1HB      ARG   4  -6.416  -1.497  -4.452
   29    HB3  ARG   4           2HB      ARG   4  -5.079  -0.776  -5.361
   30    HG2  ARG   4           1HG      ARG   4  -3.900  -1.598  -2.988
   31    HG3  ARG   4           2HG      ARG   4  -5.042  -2.892  -3.392
   32    HD2  ARG   4           1HD      ARG   4  -3.963  -2.485  -5.826
   33    HD3  ARG   4           2HD      ARG   4  -2.602  -2.005  -4.805
   34    HE   ARG   4           HE       ARG   4  -2.306  -4.199  -4.214
   35   HH11  ARG   4          1HH1      ARG   4  -5.440  -3.818  -5.681
   36   HH12  ARG   4          2HH1      ARG   4  -5.758  -5.519  -5.753
   37   HH21  ARG   4          1HH2      ARG   4  -2.713  -6.441  -4.303
   38   HH22  ARG   4          2HH2      ARG   4  -4.206  -7.010  -4.967
   39    H    ARG   5           H        ARG   5  -3.745   0.850  -1.871
   40    HA   ARG   5           HA       ARG   5  -2.293   2.548  -3.794
   41    HB2  ARG   5           1HB      ARG   5  -2.133   2.843  -0.799
   42    HB3  ARG   5           2HB      ARG   5  -1.680   4.012  -2.049
   43    HG2  ARG   5           1HG      ARG   5  -4.325   3.701  -2.582
   44    HG3  ARG   5           2HG      ARG   5  -4.288   3.480  -0.825
   45    HD2  ARG   5           1HD      ARG   5  -4.655   5.831  -1.419
   46    HD3  ARG   5           2HD      ARG   5  -3.126   5.603  -0.558
   47    HE   ARG   5           HE       ARG   5  -2.430   5.468  -3.188
   48   HH11  ARG   5          1HH1      ARG   5  -4.132   7.784  -1.223
   49   HH12  ARG   5          2HH1      ARG   5  -3.623   9.149  -2.162
   50   HH21  ARG   5          1HH2      ARG   5  -1.753   7.257  -4.432
   51   HH22  ARG   5          2HH2      ARG   5  -2.272   8.848  -3.988
   52    H    CYS   6           H        CYS   6   0.026   2.617  -3.586
   53    HA   CYS   6           HA       CYS   6   1.236   0.395  -2.113
   54    HB2  CYS   6           1HB      CYS   6   1.381   0.870  -5.077
   55    HB3  CYS   6           2HB      CYS   6   2.671  -0.001  -4.230
   56    H    ILE   7           H        ILE   7   2.804   1.207  -0.907
   57    HA   ILE   7           HA       ILE   7   4.275   3.560  -1.900
   58    HB   ILE   7           HB       ILE   7   4.837   3.989   0.495
   59   HG12  ILE   7          1HG1      ILE   7   2.569   2.176   1.238
   60   HG13  ILE   7          2HG1      ILE   7   4.197   1.503   1.056
   61   HG21  ILE   7          1HG2      ILE   7   2.956   5.089  -0.757
   62   HG22  ILE   7          2HG2      ILE   7   1.869   3.932   0.009
   63   HG23  ILE   7          3HG2      ILE   7   2.781   5.070   0.999
   64   HD11  ILE   7          3HD1      ILE   7   3.332   2.340   3.384
   65   HD12  ILE   7          1HD1      ILE   7   5.010   2.572   2.896
   66   HD13  ILE   7          2HD1      ILE   7   3.861   3.905   2.768
   67    HA   PRO   8           HA       PRO   8   8.035   1.295  -1.941
   68    HB2  PRO   8           1HB      PRO   8   9.835   3.250  -1.272
   69    HB3  PRO   8           2HB      PRO   8   9.016   3.171  -2.832
   70    HG2  PRO   8           1HG      PRO   8   8.333   4.793  -0.403
   71    HG3  PRO   8           2HG      PRO   8   8.388   5.300  -2.132
   72    HD2  PRO   8           1HD      PRO   8   6.067   4.738  -0.844
   73    HD3  PRO   8           2HD      PRO   8   6.313   4.395  -2.564
   74    H    GLY   9           H        GLY   9   8.768  -0.148  -0.516
   75    HA2  GLY   9           2HA      GLY   9   8.881   0.623   2.326
   76    HA3  GLY   9           3HA      GLY   9   8.684  -1.019   1.732
   77    H    MET  10           H        MET  10  10.464  -1.403   3.291
   78    HA   MET  10           HA       MET  10  13.088  -0.625   2.222
   79    HB2  MET  10           1HB      MET  10  12.266  -0.316   4.725
   80    HB3  MET  10           2HB      MET  10  12.795  -2.000   4.853
   81    HG2  MET  10           1HG      MET  10  14.598   0.122   3.722
   82    HG3  MET  10           2HG      MET  10  14.465  -0.163   5.458
   83    HE1  MET  10           3HE      MET  10  17.075  -1.822   2.544
   84    HE2  MET  10           1HE      MET  10  16.517  -0.232   3.064
   85    HE3  MET  10           2HE      MET  10  17.728  -1.096   4.013
   86    H    PHE  11           H        PHE  11  11.091  -3.375   3.093
   87    HA   PHE  11           HA       PHE  11  13.174  -5.190   2.086
   88    HB2  PHE  11           1HB      PHE  11  10.694  -5.969   3.629
   89    HB3  PHE  11           2HB      PHE  11  12.129  -6.951   3.325
   90    HD1  PHE  11           1HD      PHE  11  10.791  -4.143   5.275
   91    HD2  PHE  11           2HD      PHE  11  14.109  -6.734   4.642
   92    HE1  PHE  11           1HE      PHE  11  11.780  -3.389   7.398
   93    HE2  PHE  11           2HE      PHE  11  15.102  -5.984   6.765
   94    HZ   PHE  11           HZ       PHE  11  13.938  -4.310   8.146
   95    H    ARG  12           H        ARG  12   9.743  -4.383   1.821
   96    HA   ARG  12           HA       ARG  12   9.724  -5.301  -0.921
   97    HB2  ARG  12           1HB      ARG  12   7.560  -6.637  -0.406
   98    HB3  ARG  12           2HB      ARG  12   9.130  -7.386  -0.087
   99    HG2  ARG  12           1HG      ARG  12   7.899  -5.880   2.148
  100    HG3  ARG  12           2HG      ARG  12   7.131  -7.404   1.674
  101    HD2  ARG  12           1HD      ARG  12  10.079  -7.469   1.918
  102    HD3  ARG  12           2HD      ARG  12   9.177  -7.232   3.421
  103    HE   ARG  12           HE       ARG  12   8.075  -9.374   1.929
  104   HH11  ARG  12          1HH1      ARG  12  10.792  -8.528   3.935
  105   HH12  ARG  12          2HH1      ARG  12  11.064 -10.151   4.475
  106   HH21  ARG  12          1HH2      ARG  12   8.422 -11.515   2.633
  107   HH22  ARG  12          2HH2      ARG  12   9.717 -11.849   3.735
  108    H    ALA  13           H        ALA  13   7.535  -4.883  -1.937
  109    HA   ALA  13           HA       ALA  13   6.795  -2.209  -1.512
  110    HB1  ALA  13           1HB      ALA  13   6.351  -2.868  -3.654
  111    HB2  ALA  13           2HB      ALA  13   5.737  -4.446  -3.163
  112    HB3  ALA  13           3HB      ALA  13   4.739  -3.009  -2.953
  113    H    TYR  14           H        TYR  14   5.384  -1.279  -0.173
  114    HA   TYR  14           HA       TYR  14   3.648  -3.026   1.434
  115    HB2  TYR  14           1HB      TYR  14   5.451  -1.455   2.468
  116    HB3  TYR  14           2HB      TYR  14   4.281  -0.175   2.136
  117    HD1  TYR  14           1HD      TYR  14   1.807  -0.707   2.969
  118    HD2  TYR  14           2HD      TYR  14   5.344  -2.464   4.555
  119    HE1  TYR  14           1HE      TYR  14   0.610  -1.223   5.054
  120    HE2  TYR  14           2HE      TYR  14   4.156  -2.984   6.644
  121    HH   TYR  14           HH       TYR  14   0.698  -2.357   6.997
  122    H    CYS  15           H        CYS  15   1.771  -3.160   0.316
  123    HA   CYS  15           HA       CYS  15   0.523  -0.671  -0.615
  124    HB2  CYS  15           1HB      CYS  15  -0.211  -3.540  -1.226
  125    HB3  CYS  15           2HB      CYS  15  -0.941  -2.102  -1.961
  126    H    TYR  16           H        TYR  16  -1.770  -0.361  -0.241
  127    HA   TYR  16           HA       TYR  16  -3.022  -1.904   1.867
  128    HB2  TYR  16           1HB      TYR  16  -3.453   0.141   3.260
  129    HB3  TYR  16           2HB      TYR  16  -1.772  -0.397   3.243
  130    HD1  TYR  16           2HD      TYR  16  -0.039   0.902   2.134
  131    HD2  TYR  16           1HD      TYR  16  -4.079   2.235   2.173
  132    HE1  TYR  16           2HE      TYR  16   0.699   3.137   1.421
  133    HE2  TYR  16           1HE      TYR  16  -3.353   4.475   1.459
  134    HH   TYR  16           HH       TYR  16   0.086   5.230   0.997
  135    H    MET  17           H        MET  17  -5.215  -0.788   2.444
  136    HA   MET  17           HA       MET  17  -6.446   0.000  -0.107
  137    HB2  MET  17           1HB      MET  17  -7.398  -1.562   2.257
  138    HB3  MET  17           2HB      MET  17  -8.585  -0.648   1.313
  139    HG2  MET  17           1HG      MET  17  -6.679  -2.633   0.083
  140    HG3  MET  17           2HG      MET  17  -8.289  -3.055   0.665
  141    HE1  MET  17           3HE      MET  17 -10.402  -2.895  -1.849
  142    HE2  MET  17           1HE      MET  17  -9.004  -3.581  -2.678
  143    HE3  MET  17           2HE      MET  17  -9.268  -3.919  -0.967
  144    H    ASP  18           H        ASP  18  -6.197   2.205  -0.069
  145    HA   ASP  18           HA       ASP  18  -6.774   3.785   2.244
  146    HB2  ASP  18           1HB      ASP  18  -5.158   4.565   0.600
  147    HB3  ASP  18           2HB      ASP  18  -6.405   4.569  -0.654
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -8.887   3.211   2.731
    2    HA2  GLY   1           2HA      GLY   1 -11.177   3.172   2.569
    3    HA3  GLY   1           3HA      GLY   1 -10.982   4.450   1.378
    4    H    ARG   2           H        ARG   2 -11.762   4.034  -0.570
    5    HA   ARG   2           HA       ARG   2 -12.296   1.243  -1.294
    6    HB2  ARG   2           1HB      ARG   2 -13.475   3.879  -2.112
    7    HB3  ARG   2           2HB      ARG   2 -13.647   2.470  -3.169
    8    HG2  ARG   2           1HG      ARG   2 -14.517   1.289  -1.010
    9    HG3  ARG   2           2HG      ARG   2 -14.795   2.950  -0.460
   10    HD2  ARG   2           1HD      ARG   2 -16.343   3.399  -2.159
   11    HD3  ARG   2           2HD      ARG   2 -15.774   2.042  -3.143
   12    HE   ARG   2           HE       ARG   2 -17.727   1.953  -1.039
   13   HH11  ARG   2          1HH1      ARG   2 -15.380   0.114  -2.837
   14   HH12  ARG   2          2HH1      ARG   2 -16.149  -1.408  -2.535
   15   HH21  ARG   2          1HH2      ARG   2 -18.748  -0.046  -0.634
   16   HH22  ARG   2          2HH2      ARG   2 -18.065  -1.499  -1.283
   17    H    TYR   3           H        TYR   3  -9.649   1.985  -1.487
   18    HA   TYR   3           HA       TYR   3  -9.154   1.496  -4.277
   19    HB2  TYR   3           1HB      TYR   3  -9.355   3.898  -4.398
   20    HB3  TYR   3           2HB      TYR   3  -8.265   4.101  -3.022
   21    HD1  TYR   3           1HD      TYR   3  -8.149   2.284  -6.297
   22    HD2  TYR   3           2HD      TYR   3  -6.168   4.870  -3.560
   23    HE1  TYR   3           1HE      TYR   3  -6.221   2.407  -7.818
   24    HE2  TYR   3           2HE      TYR   3  -4.235   5.002  -5.075
   25    HH   TYR   3           HH       TYR   3  -3.238   3.502  -6.922
   26    H    ARG   4           H        ARG   4  -7.055   0.740  -4.684
   27    HA   ARG   4           HA       ARG   4  -5.591  -0.032  -2.259
   28    HB2  ARG   4           1HB      ARG   4  -6.476  -1.745  -3.968
   29    HB3  ARG   4           2HB      ARG   4  -5.152  -1.187  -5.003
   30    HG2  ARG   4           1HG      ARG   4  -3.904  -2.745  -4.020
   31    HG3  ARG   4           2HG      ARG   4  -3.895  -1.675  -2.609
   32    HD2  ARG   4           1HD      ARG   4  -6.086  -2.816  -1.928
   33    HD3  ARG   4           2HD      ARG   4  -5.679  -4.029  -3.151
   34    HE   ARG   4           HE       ARG   4  -3.524  -3.574  -1.333
   35   HH11  ARG   4          1HH1      ARG   4  -6.557  -5.237  -1.741
   36   HH12  ARG   4          2HH1      ARG   4  -6.168  -6.494  -0.614
   37   HH21  ARG   4          1HH2      ARG   4  -3.002  -5.225   0.152
   38   HH22  ARG   4          2HH2      ARG   4  -4.145  -6.486   0.462
   39    H    ARG   5           H        ARG   5  -3.769   0.994  -1.793
   40    HA   ARG   5           HA       ARG   5  -2.338   2.377  -3.964
   41    HB2  ARG   5           1HB      ARG   5  -2.300   2.959  -0.992
   42    HB3  ARG   5           2HB      ARG   5  -1.455   3.880  -2.244
   43    HG2  ARG   5           1HG      ARG   5  -4.248   3.695  -2.896
   44    HG3  ARG   5           2HG      ARG   5  -4.036   4.311  -1.249
   45    HD2  ARG   5           1HD      ARG   5  -2.787   5.419  -3.773
   46    HD3  ARG   5           2HD      ARG   5  -4.060   6.163  -2.795
   47    HE   ARG   5           HE       ARG   5  -1.232   6.147  -2.242
   48   HH11  ARG   5          1HH1      ARG   5  -4.429   6.535  -0.921
   49   HH12  ARG   5          2HH1      ARG   5  -3.896   7.470   0.436
   50   HH21  ARG   5          1HH2      ARG   5  -0.518   7.379  -0.461
   51   HH22  ARG   5          2HH2      ARG   5  -1.671   7.951   0.698
   52    H    CYS   6           H        CYS   6   0.041   2.567  -3.641
   53    HA   CYS   6           HA       CYS   6   1.216   0.341  -2.146
   54    HB2  CYS   6           1HB      CYS   6   1.466   0.840  -5.103
   55    HB3  CYS   6           2HB      CYS   6   2.707  -0.056  -4.211
   56    H    ILE   7           H        ILE   7   2.748   1.152  -0.892
   57    HA   ILE   7           HA       ILE   7   4.221   3.528  -1.818
   58    HB   ILE   7           HB       ILE   7   4.742   3.913   0.594
   59   HG12  ILE   7          1HG1      ILE   7   2.511   1.983   1.195
   60   HG13  ILE   7          2HG1      ILE   7   4.201   1.446   1.154
   61   HG21  ILE   7          1HG2      ILE   7   2.900   5.058  -0.619
   62   HG22  ILE   7          2HG2      ILE   7   1.792   3.834  -0.005
   63   HG23  ILE   7          3HG2      ILE   7   2.622   4.910   1.116
   64   HD11  ILE   7          3HD1      ILE   7   3.877   3.822   2.769
   65   HD12  ILE   7          1HD1      ILE   7   2.866   2.492   3.333
   66   HD13  ILE   7          2HD1      ILE   7   4.608   2.267   3.172
   67    HA   PRO   8           HA       PRO   8   8.004   1.299  -1.849
   68    HB2  PRO   8           1HB      PRO   8   9.774   3.255  -1.113
   69    HB3  PRO   8           2HB      PRO   8   8.979   3.204  -2.685
   70    HG2  PRO   8           1HG      PRO   8   8.246   4.767  -0.232
   71    HG3  PRO   8           2HG      PRO   8   8.321   5.310  -1.952
   72    HD2  PRO   8           1HD      PRO   8   5.986   4.699  -0.708
   73    HD3  PRO   8           2HD      PRO   8   6.260   4.396  -2.432
   74    H    GLY   9           H        GLY   9   8.728  -0.167  -0.446
   75    HA2  GLY   9           2HA      GLY   9   8.763   0.528   2.416
   76    HA3  GLY   9           3HA      GLY   9   8.644  -1.103   1.769
   77    H    MET  10           H        MET  10  10.401  -1.367   3.430
   78    HA   MET  10           HA       MET  10  13.019  -0.500   2.425
   79    HB2  MET  10           1HB      MET  10  12.120  -0.258   4.908
   80    HB3  MET  10           2HB      MET  10  12.709  -1.924   5.029
   81    HG2  MET  10           1HG      MET  10  14.901  -1.332   4.843
   82    HG3  MET  10           2HG      MET  10  14.538   0.083   3.852
   83    HE1  MET  10           3HE      MET  10  14.777   2.920   6.038
   84    HE2  MET  10           1HE      MET  10  16.143   1.982   5.433
   85    HE3  MET  10           2HE      MET  10  14.697   2.175   4.440
   86    H    PHE  11           H        PHE  11  11.013  -3.280   2.900
   87    HA   PHE  11           HA       PHE  11  13.222  -5.012   2.004
   88    HB2  PHE  11           1HB      PHE  11  10.768  -5.902   3.535
   89    HB3  PHE  11           2HB      PHE  11  12.210  -6.853   3.175
   90    HD1  PHE  11           2HD      PHE  11  14.312  -6.464   4.356
   91    HD2  PHE  11           1HD      PHE  11  10.769  -4.322   5.352
   92    HE1  PHE  11           2HE      PHE  11  15.331  -5.772   6.486
   93    HE2  PHE  11           1HE      PHE  11  11.783  -3.628   7.483
   94    HZ   PHE  11           HZ       PHE  11  14.067  -4.354   8.053
   95    H    ARG  12           H        ARG  12   9.779  -4.296   1.715
   96    HA   ARG  12           HA       ARG  12   9.809  -5.159  -1.041
   97    HB2  ARG  12           1HB      ARG  12   7.689  -6.587  -0.574
   98    HB3  ARG  12           2HB      ARG  12   9.287  -7.286  -0.271
   99    HG2  ARG  12           1HG      ARG  12   9.084  -6.871   2.101
  100    HG3  ARG  12           2HG      ARG  12   7.537  -6.045   1.840
  101    HD2  ARG  12           1HD      ARG  12   7.235  -8.530   0.593
  102    HD3  ARG  12           2HD      ARG  12   8.096  -8.868   2.102
  103    HE   ARG  12           HE       ARG  12   5.956  -7.151   2.666
  104   HH11  ARG  12          1HH1      ARG  12   6.544 -10.424   1.635
  105   HH12  ARG  12          2HH1      ARG  12   5.086 -11.044   2.335
  106   HH21  ARG  12          1HH2      ARG  12   4.033  -7.956   3.591
  107   HH22  ARG  12          2HH2      ARG  12   3.658  -9.639   3.446
  108    H    ALA  13           H        ALA  13   7.613  -4.798  -2.063
  109    HA   ALA  13           HA       ALA  13   6.766  -2.168  -1.586
  110    HB1  ALA  13           1HB      ALA  13   5.243  -2.468  -3.330
  111    HB2  ALA  13           2HB      ALA  13   6.561  -3.575  -3.719
  112    HB3  ALA  13           3HB      ALA  13   5.070  -4.193  -3.005
  113    H    TYR  14           H        TYR  14   5.284  -1.305  -0.272
  114    HA   TYR  14           HA       TYR  14   3.600  -3.147   1.290
  115    HB2  TYR  14           1HB      TYR  14   5.387  -1.603   2.396
  116    HB3  TYR  14           2HB      TYR  14   4.201  -0.324   2.121
  117    HD1  TYR  14           1HD      TYR  14   1.798  -0.742   3.018
  118    HD2  TYR  14           2HD      TYR  14   5.223  -2.887   4.343
  119    HE1  TYR  14           1HE      TYR  14   0.604  -1.364   5.075
  120    HE2  TYR  14           2HE      TYR  14   4.039  -3.516   6.405
  121    HH   TYR  14           HH       TYR  14   0.643  -2.881   6.841
  122    H    CYS  15           H        CYS  15   1.728  -3.249   0.163
  123    HA   CYS  15           HA       CYS  15   0.466  -0.742  -0.692
  124    HB2  CYS  15           1HB      CYS  15  -0.303  -3.593  -1.343
  125    HB3  CYS  15           2HB      CYS  15  -0.993  -2.130  -2.068
  126    H    TYR  16           H        TYR  16  -1.796  -0.398  -0.263
  127    HA   TYR  16           HA       TYR  16  -3.064  -1.995   1.793
  128    HB2  TYR  16           1HB      TYR  16  -3.439   0.000   3.270
  129    HB3  TYR  16           2HB      TYR  16  -1.770  -0.571   3.214
  130    HD1  TYR  16           1HD      TYR  16  -0.025   0.725   2.103
  131    HD2  TYR  16           2HD      TYR  16  -4.023   2.160   2.318
  132    HE1  TYR  16           1HE      TYR  16   0.755   2.971   1.473
  133    HE2  TYR  16           2HE      TYR  16  -3.256   4.410   1.687
  134    HH   TYR  16           HH       TYR  16  -0.291   5.036   0.358
  135    H    MET  17           H        MET  17  -5.227  -0.851   2.435
  136    HA   MET  17           HA       MET  17  -6.472   0.026  -0.077
  137    HB2  MET  17           1HB      MET  17  -7.422  -1.532   2.286
  138    HB3  MET  17           2HB      MET  17  -8.602  -0.551   1.401
  139    HG2  MET  17           1HG      MET  17  -7.934  -1.716  -0.696
  140    HG3  MET  17           2HG      MET  17  -6.899  -2.763   0.281
  141    HE1  MET  17           3HE      MET  17 -10.525  -3.570  -1.338
  142    HE2  MET  17           1HE      MET  17  -8.805  -3.497  -1.718
  143    HE3  MET  17           2HE      MET  17  -9.490  -4.963  -1.019
  144    H    ASP  18           H        ASP  18  -6.139   2.220  -0.028
  145    HA   ASP  18           HA       ASP  18  -6.663   3.790   2.317
  146    HB2  ASP  18           1HB      ASP  18  -4.963   4.455   0.659
  147    HB3  ASP  18           2HB      ASP  18  -6.240   4.667  -0.547
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -8.763   3.307   2.703
    2    HA2  GLY   1           2HA      GLY   1 -11.055   3.347   2.564
    3    HA3  GLY   1           3HA      GLY   1 -10.829   4.592   1.344
    4    H    ARG   2           H        ARG   2 -11.632   4.160  -0.593
    5    HA   ARG   2           HA       ARG   2 -12.257   1.370  -1.252
    6    HB2  ARG   2           1HB      ARG   2 -13.393   4.019  -2.090
    7    HB3  ARG   2           2HB      ARG   2 -13.613   2.597  -3.122
    8    HG2  ARG   2           1HG      ARG   2 -15.484   2.307  -1.916
    9    HG3  ARG   2           2HG      ARG   2 -14.372   1.580  -0.744
   10    HD2  ARG   2           1HD      ARG   2 -14.100   4.003   0.156
   11    HD3  ARG   2           2HD      ARG   2 -15.595   4.312  -0.735
   12    HE   ARG   2           HE       ARG   2 -16.112   2.078   0.771
   13   HH11  ARG   2          1HH1      ARG   2 -15.100   5.348   1.403
   14   HH12  ARG   2          2HH1      ARG   2 -15.850   5.417   2.964
   15   HH21  ARG   2          1HH2      ARG   2 -17.101   2.155   2.825
   16   HH22  ARG   2          2HH2      ARG   2 -16.986   3.600   3.773
   17    H    TYR   3           H        TYR   3  -9.598   2.045  -1.506
   18    HA   TYR   3           HA       TYR   3  -9.164   1.504  -4.295
   19    HB2  TYR   3           1HB      TYR   3  -9.316   3.909  -4.454
   20    HB3  TYR   3           2HB      TYR   3  -8.200   4.110  -3.102
   21    HD1  TYR   3           1HD      TYR   3  -8.191   2.263  -6.360
   22    HD2  TYR   3           2HD      TYR   3  -6.083   4.799  -3.671
   23    HE1  TYR   3           1HE      TYR   3  -6.285   2.320  -7.917
   24    HE2  TYR   3           2HE      TYR   3  -4.173   4.866  -5.220
   25    HH   TYR   3           HH       TYR   3  -3.795   4.541  -7.692
   26    H    ARG   4           H        ARG   4  -7.084   0.707  -4.731
   27    HA   ARG   4           HA       ARG   4  -5.619  -0.112  -2.326
   28    HB2  ARG   4           1HB      ARG   4  -6.505  -1.747  -4.133
   29    HB3  ARG   4           2HB      ARG   4  -5.125  -1.185  -5.087
   30    HG2  ARG   4           1HG      ARG   4  -3.961  -2.808  -4.105
   31    HG3  ARG   4           2HG      ARG   4  -3.984  -1.782  -2.661
   32    HD2  ARG   4           1HD      ARG   4  -6.249  -2.890  -2.137
   33    HD3  ARG   4           2HD      ARG   4  -5.772  -4.091  -3.346
   34    HE   ARG   4           HE       ARG   4  -3.647  -3.860  -1.584
   35   HH11  ARG   4          1HH1      ARG   4  -6.994  -4.815  -1.476
   36   HH12  ARG   4          2HH1      ARG   4  -6.768  -5.929  -0.169
   37   HH21  ARG   4          1HH2      ARG   4  -3.338  -5.324   0.137
   38   HH22  ARG   4          2HH2      ARG   4  -4.690  -6.217   0.749
   39    H    ARG   5           H        ARG   5  -3.876   1.013  -1.798
   40    HA   ARG   5           HA       ARG   5  -2.390   2.407  -3.918
   41    HB2  ARG   5           1HB      ARG   5  -2.356   2.919  -0.935
   42    HB3  ARG   5           2HB      ARG   5  -1.558   3.893  -2.181
   43    HG2  ARG   5           1HG      ARG   5  -3.917   4.229  -3.155
   44    HG3  ARG   5           2HG      ARG   5  -4.480   3.653  -1.578
   45    HD2  ARG   5           1HD      ARG   5  -3.529   5.465  -0.430
   46    HD3  ARG   5           2HD      ARG   5  -2.467   5.864  -1.788
   47    HE   ARG   5           HE       ARG   5  -5.212   6.672  -1.438
   48   HH11  ARG   5          1HH1      ARG   5  -2.603   6.206  -3.697
   49   HH12  ARG   5          2HH1      ARG   5  -3.242   7.318  -4.863
   50   HH21  ARG   5          1HH2      ARG   5  -6.061   8.137  -2.965
   51   HH22  ARG   5          2HH2      ARG   5  -5.208   8.416  -4.445
   52    H    CYS   6           H        CYS   6  -0.019   2.587  -3.578
   53    HA   CYS   6           HA       CYS   6   1.147   0.339  -2.108
   54    HB2  CYS   6           1HB      CYS   6   1.438   0.894  -5.051
   55    HB3  CYS   6           2HB      CYS   6   2.654  -0.032  -4.158
   56    H    ILE   7           H        ILE   7   2.665   1.130  -0.825
   57    HA   ILE   7           HA       ILE   7   4.123   3.540  -1.682
   58    HB   ILE   7           HB       ILE   7   4.663   3.825   0.746
   59   HG12  ILE   7          1HG1      ILE   7   2.445   1.839   1.229
   60   HG13  ILE   7          2HG1      ILE   7   4.152   1.363   1.245
   61   HG21  ILE   7          1HG2      ILE   7   1.691   3.772   0.358
   62   HG22  ILE   7          2HG2      ILE   7   2.675   4.948   1.226
   63   HG23  ILE   7          3HG2      ILE   7   2.715   4.895  -0.537
   64   HD11  ILE   7          3HD1      ILE   7   3.672   1.725   3.481
   65   HD12  ILE   7          1HD1      ILE   7   4.454   3.224   2.983
   66   HD13  ILE   7          2HD1      ILE   7   2.699   3.156   3.143
   67    HA   PRO   8           HA       PRO   8   7.929   1.355  -1.821
   68    HB2  PRO   8           1HB      PRO   8   9.685   3.298  -1.013
   69    HB3  PRO   8           2HB      PRO   8   8.880   3.303  -2.584
   70    HG2  PRO   8           1HG      PRO   8   8.143   4.758  -0.066
   71    HG3  PRO   8           2HG      PRO   8   8.205   5.370  -1.760
   72    HD2  PRO   8           1HD      PRO   8   5.882   4.685  -0.532
   73    HD3  PRO   8           2HD      PRO   8   6.151   4.456  -2.268
   74    H    GLY   9           H        GLY   9   8.676  -0.159  -0.482
   75    HA2  GLY   9           2HA      GLY   9   8.685   0.396   2.408
   76    HA3  GLY   9           3HA      GLY   9   8.648  -1.200   1.676
   77    H    MET  10           H        MET  10  10.401  -1.312   3.445
   78    HA   MET  10           HA       MET  10  12.983  -0.340   2.464
   79    HB2  MET  10           1HB      MET  10  12.047  -0.217   4.941
   80    HB3  MET  10           2HB      MET  10  12.715  -1.854   5.022
   81    HG2  MET  10           1HG      MET  10  14.789  -1.095   5.241
   82    HG3  MET  10           2HG      MET  10  14.610  -0.053   3.828
   83    HE1  MET  10           3HE      MET  10  15.142  -0.253   7.503
   84    HE2  MET  10           1HE      MET  10  16.350   0.606   6.546
   85    HE3  MET  10           2HE      MET  10  15.449   1.461   7.798
   86    H    PHE  11           H        PHE  11  11.114  -3.229   2.837
   87    HA   PHE  11           HA       PHE  11  13.401  -4.809   1.864
   88    HB2  PHE  11           1HB      PHE  11  11.077  -5.875   3.479
   89    HB3  PHE  11           2HB      PHE  11  12.555  -6.732   3.038
   90    HD1  PHE  11           2HD      PHE  11  14.655  -6.302   4.168
   91    HD2  PHE  11           1HD      PHE  11  11.090  -4.266   5.290
   92    HE1  PHE  11           2HE      PHE  11  15.726  -5.586   6.264
   93    HE2  PHE  11           1HE      PHE  11  12.156  -3.547   7.387
   94    HZ   PHE  11           HZ       PHE  11  14.476  -4.207   7.878
   95    H    ARG  12           H        ARG  12   9.911  -4.312   1.727
   96    HA   ARG  12           HA       ARG  12   9.893  -5.190  -1.035
   97    HB2  ARG  12           1HB      ARG  12   7.819  -6.645  -0.488
   98    HB3  ARG  12           2HB      ARG  12   9.434  -7.309  -0.196
   99    HG2  ARG  12           1HG      ARG  12   8.204  -5.877   2.077
  100    HG3  ARG  12           2HG      ARG  12   7.440  -7.402   1.597
  101    HD2  ARG  12           1HD      ARG  12   9.404  -8.649   1.977
  102    HD3  ARG  12           2HD      ARG  12  10.406  -7.193   2.006
  103    HE   ARG  12           HE       ARG  12   8.578  -6.987   4.096
  104   HH11  ARG  12          1HH1      ARG  12  11.252  -9.002   3.144
  105   HH12  ARG  12          2HH1      ARG  12  11.707  -9.391   4.770
  106   HH21  ARG  12          1HH2      ARG  12   9.167  -7.491   6.240
  107   HH22  ARG  12          2HH2      ARG  12  10.520  -8.532   6.530
  108    H    ALA  13           H        ALA  13   7.663  -4.890  -2.003
  109    HA   ALA  13           HA       ALA  13   6.786  -2.263  -1.552
  110    HB1  ALA  13           1HB      ALA  13   6.562  -3.652  -3.667
  111    HB2  ALA  13           2HB      ALA  13   5.140  -4.375  -2.915
  112    HB3  ALA  13           3HB      ALA  13   5.185  -2.641  -3.232
  113    H    TYR  14           H        TYR  14   5.085  -1.399  -0.449
  114    HA   TYR  14           HA       TYR  14   3.517  -3.248   1.228
  115    HB2  TYR  14           1HB      TYR  14   5.333  -1.695   2.314
  116    HB3  TYR  14           2HB      TYR  14   4.110  -0.442   2.100
  117    HD1  TYR  14           2HD      TYR  14   1.741  -0.945   3.046
  118    HD2  TYR  14           1HD      TYR  14   5.255  -3.028   4.234
  119    HE1  TYR  14           2HE      TYR  14   0.619  -1.645   5.121
  120    HE2  TYR  14           1HE      TYR  14   4.143  -3.733   6.310
  121    HH   TYR  14           HH       TYR  14   2.049  -3.966   7.289
  122    H    CYS  15           H        CYS  15   1.637  -3.322   0.111
  123    HA   CYS  15           HA       CYS  15   0.387  -0.790  -0.693
  124    HB2  CYS  15           1HB      CYS  15  -0.395  -3.619  -1.417
  125    HB3  CYS  15           2HB      CYS  15  -1.070  -2.133  -2.110
  126    H    TYR  16           H        TYR  16  -1.868  -0.441  -0.248
  127    HA   TYR  16           HA       TYR  16  -3.149  -2.095   1.756
  128    HB2  TYR  16           1HB      TYR  16  -3.502  -0.154   3.303
  129    HB3  TYR  16           2HB      TYR  16  -1.836  -0.726   3.221
  130    HD1  TYR  16           1HD      TYR  16  -4.106   1.976   2.136
  131    HD2  TYR  16           2HD      TYR  16  -0.070   0.667   2.440
  132    HE1  TYR  16           1HE      TYR  16  -3.336   4.244   1.582
  133    HE2  TYR  16           2HE      TYR  16   0.712   2.932   1.886
  134    HH   TYR  16           HH       TYR  16   0.129   5.021   1.431
  135    H    MET  17           H        MET  17  -5.302  -0.956   2.436
  136    HA   MET  17           HA       MET  17  -6.564  -0.056  -0.052
  137    HB2  MET  17           1HB      MET  17  -7.489  -1.532   2.365
  138    HB3  MET  17           2HB      MET  17  -8.665  -0.498   1.540
  139    HG2  MET  17           1HG      MET  17  -8.137  -1.699  -0.589
  140    HG3  MET  17           2HG      MET  17  -7.138  -2.804   0.358
  141    HE1  MET  17           3HE      MET  17 -10.296  -1.466  -0.678
  142    HE2  MET  17           1HE      MET  17 -11.396  -2.841  -0.565
  143    HE3  MET  17           2HE      MET  17 -11.315  -1.667   0.748
  144    H    ASP  18           H        ASP  18  -6.084   2.125  -0.053
  145    HA   ASP  18           HA       ASP  18  -6.525   3.785   2.241
  146    HB2  ASP  18           1HB      ASP  18  -4.872   4.178   0.305
  147    HB3  ASP  18           2HB      ASP  18  -6.273   4.772  -0.593
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -8.871   3.212   2.706
    2    HA2  GLY   1           2HA      GLY   1 -11.160   3.162   2.546
    3    HA3  GLY   1           3HA      GLY   1 -10.969   4.446   1.362
    4    H    ARG   2           H        ARG   2 -11.727   4.040  -0.600
    5    HA   ARG   2           HA       ARG   2 -12.278   1.255  -1.334
    6    HB2  ARG   2           1HB      ARG   2 -13.281   3.702  -2.782
    7    HB3  ARG   2           2HB      ARG   2 -13.944   2.060  -2.804
    8    HG2  ARG   2           1HG      ARG   2 -14.566   2.322  -0.411
    9    HG3  ARG   2           2HG      ARG   2 -14.031   4.007  -0.511
   10    HD2  ARG   2           1HD      ARG   2 -15.794   3.453  -2.705
   11    HD3  ARG   2           2HD      ARG   2 -16.553   2.938  -1.193
   12    HE   ARG   2           HE       ARG   2 -15.423   5.526  -0.921
   13   HH11  ARG   2          1HH1      ARG   2 -18.132   3.824  -2.294
   14   HH12  ARG   2          2HH1      ARG   2 -19.194   5.191  -2.223
   15   HH21  ARG   2          1HH2      ARG   2 -16.812   7.334  -0.824
   16   HH22  ARG   2          2HH2      ARG   2 -18.441   7.187  -1.388
   17    H    TYR   3           H        TYR   3  -9.626   1.977  -1.516
   18    HA   TYR   3           HA       TYR   3  -9.124   1.503  -4.305
   19    HB2  TYR   3           1HB      TYR   3  -9.309   3.909  -4.410
   20    HB3  TYR   3           2HB      TYR   3  -8.219   4.093  -3.034
   21    HD1  TYR   3           2HD      TYR   3  -8.126   2.319  -6.333
   22    HD2  TYR   3           1HD      TYR   3  -6.104   4.829  -3.552
   23    HE1  TYR   3           2HE      TYR   3  -6.195   2.438  -7.851
   24    HE2  TYR   3           1HE      TYR   3  -4.168   4.953  -5.065
   25    HH   TYR   3           HH       TYR   3  -3.184   3.905  -6.886
   26    H    ARG   4           H        ARG   4  -7.022   0.747  -4.713
   27    HA   ARG   4           HA       ARG   4  -5.586  -0.079  -2.292
   28    HB2  ARG   4           1HB      ARG   4  -6.446  -1.729  -4.090
   29    HB3  ARG   4           2HB      ARG   4  -5.075  -1.155  -5.051
   30    HG2  ARG   4           1HG      ARG   4  -3.577  -1.784  -3.134
   31    HG3  ARG   4           2HG      ARG   4  -4.985  -2.565  -2.397
   32    HD2  ARG   4           1HD      ARG   4  -5.090  -3.629  -4.891
   33    HD3  ARG   4           2HD      ARG   4  -3.347  -3.398  -4.699
   34    HE   ARG   4           HE       ARG   4  -4.570  -4.678  -2.442
   35   HH11  ARG   4          1HH1      ARG   4  -3.208  -5.172  -5.607
   36   HH12  ARG   4          2HH1      ARG   4  -2.795  -6.829  -5.313
   37   HH21  ARG   4          1HH2      ARG   4  -4.032  -6.857  -2.042
   38   HH22  ARG   4          2HH2      ARG   4  -3.263  -7.786  -3.285
   39    H    ARG   5           H        ARG   5  -3.836   1.030  -1.754
   40    HA   ARG   5           HA       ARG   5  -2.360   2.457  -3.862
   41    HB2  ARG   5           1HB      ARG   5  -2.260   2.921  -0.872
   42    HB3  ARG   5           2HB      ARG   5  -1.549   3.940  -2.133
   43    HG2  ARG   5           1HG      ARG   5  -4.013   4.130  -2.988
   44    HG3  ARG   5           2HG      ARG   5  -4.404   3.649  -1.329
   45    HD2  ARG   5           1HD      ARG   5  -3.757   5.628  -0.452
   46    HD3  ARG   5           2HD      ARG   5  -2.373   5.761  -1.550
   47    HE   ARG   5           HE       ARG   5  -5.018   6.834  -1.954
   48   HH11  ARG   5          1HH1      ARG   5  -2.030   5.873  -3.458
   49   HH12  ARG   5          2HH1      ARG   5  -2.258   6.877  -4.851
   50   HH21  ARG   5          1HH2      ARG   5  -5.329   8.161  -3.782
   51   HH22  ARG   5          2HH2      ARG   5  -4.133   8.180  -5.034
   52    H    CYS   6           H        CYS   6   0.004   2.610  -3.574
   53    HA   CYS   6           HA       CYS   6   1.194   0.367  -2.116
   54    HB2  CYS   6           1HB      CYS   6   1.405   0.896  -5.069
   55    HB3  CYS   6           2HB      CYS   6   2.662  -0.006  -4.204
   56    H    ILE   7           H        ILE   7   2.740   1.165  -0.871
   57    HA   ILE   7           HA       ILE   7   4.209   3.545  -1.793
   58    HB   ILE   7           HB       ILE   7   4.752   3.909   0.620
   59   HG12  ILE   7          1HG1      ILE   7   2.495   2.041   1.275
   60   HG13  ILE   7          2HG1      ILE   7   4.146   1.414   1.119
   61   HG21  ILE   7          1HG2      ILE   7   1.784   3.847   0.136
   62   HG22  ILE   7          2HG2      ILE   7   2.700   4.978   1.129
   63   HG23  ILE   7          3HG2      ILE   7   2.861   5.016  -0.628
   64   HD11  ILE   7          3HD1      ILE   7   4.736   3.330   2.783
   65   HD12  ILE   7          1HD1      ILE   7   3.017   3.250   3.171
   66   HD13  ILE   7          2HD1      ILE   7   4.034   1.822   3.368
   67    HA   PRO   8           HA       PRO   8   7.986   1.308  -1.870
   68    HB2  PRO   8           1HB      PRO   8   9.768   3.255  -1.134
   69    HB3  PRO   8           2HB      PRO   8   8.958   3.217  -2.700
   70    HG2  PRO   8           1HG      PRO   8   8.249   4.763  -0.230
   71    HG3  PRO   8           2HG      PRO   8   8.311   5.319  -1.945
   72    HD2  PRO   8           1HD      PRO   8   5.985   4.705  -0.688
   73    HD3  PRO   8           2HD      PRO   8   6.246   4.413  -2.416
   74    H    GLY   9           H        GLY   9   8.718  -0.170  -0.482
   75    HA2  GLY   9           2HA      GLY   9   8.774   0.502   2.384
   76    HA3  GLY   9           3HA      GLY   9   8.655  -1.122   1.724
   77    H    MET  10           H        MET  10  10.425  -1.342   3.408
   78    HA   MET  10           HA       MET  10  13.034  -0.490   2.370
   79    HB2  MET  10           1HB      MET  10  12.153  -0.234   4.856
   80    HB3  MET  10           2HB      MET  10  12.743  -1.899   4.984
   81    HG2  MET  10           1HG      MET  10  14.514  -0.528   5.714
   82    HG3  MET  10           2HG      MET  10  14.943  -1.075   4.093
   83    HE1  MET  10           3HE      MET  10  15.575   2.946   5.387
   84    HE2  MET  10           1HE      MET  10  15.301   1.491   6.346
   85    HE3  MET  10           2HE      MET  10  16.598   1.528   5.151
   86    H    PHE  11           H        PHE  11  11.037  -3.272   2.884
   87    HA   PHE  11           HA       PHE  11  13.241  -5.006   1.978
   88    HB2  PHE  11           1HB      PHE  11  10.804  -5.888   3.538
   89    HB3  PHE  11           2HB      PHE  11  12.244  -6.841   3.173
   90    HD1  PHE  11           1HD      PHE  11  14.494  -5.965   4.103
   91    HD2  PHE  11           2HD      PHE  11  10.682  -4.771   5.572
   92    HE1  PHE  11           1HE      PHE  11  15.533  -5.255   6.219
   93    HE2  PHE  11           2HE      PHE  11  11.714  -4.060   7.688
   94    HZ   PHE  11           HZ       PHE  11  14.144  -4.300   8.014
   95    H    ARG  12           H        ARG  12   9.793  -4.300   1.717
   96    HA   ARG  12           HA       ARG  12   9.799  -5.186  -1.031
   97    HB2  ARG  12           1HB      ARG  12   7.683  -6.606  -0.533
   98    HB3  ARG  12           2HB      ARG  12   9.281  -7.305  -0.234
   99    HG2  ARG  12           1HG      ARG  12   9.097  -7.030   2.101
  100    HG3  ARG  12           2HG      ARG  12   7.692  -5.965   1.930
  101    HD2  ARG  12           1HD      ARG  12   7.047  -8.222   2.678
  102    HD3  ARG  12           2HD      ARG  12   6.349  -7.807   1.107
  103    HE   ARG  12           HE       ARG  12   8.789  -9.177   0.737
  104   HH11  ARG  12          1HH1      ARG  12   5.495  -9.704   1.732
  105   HH12  ARG  12          2HH1      ARG  12   5.470 -11.361   1.227
  106   HH21  ARG  12          1HH2      ARG  12   8.769 -11.356   0.068
  107   HH22  ARG  12          2HH2      ARG  12   7.333 -12.301   0.281
  108    H    ALA  13           H        ALA  13   7.595  -4.834  -2.038
  109    HA   ALA  13           HA       ALA  13   6.757  -2.196  -1.580
  110    HB1  ALA  13           1HB      ALA  13   4.779  -3.886  -2.907
  111    HB2  ALA  13           2HB      ALA  13   5.623  -2.451  -3.490
  112    HB3  ALA  13           3HB      ALA  13   6.404  -4.029  -3.579
  113    H    TYR  14           H        TYR  14   5.259  -1.317  -0.288
  114    HA   TYR  14           HA       TYR  14   3.588  -3.145   1.306
  115    HB2  TYR  14           1HB      TYR  14   5.390  -1.603   2.395
  116    HB3  TYR  14           2HB      TYR  14   4.206  -0.323   2.125
  117    HD1  TYR  14           1HD      TYR  14   1.788  -0.785   3.014
  118    HD2  TYR  14           2HD      TYR  14   5.261  -2.835   4.371
  119    HE1  TYR  14           1HE      TYR  14   0.607  -1.402   5.082
  120    HE2  TYR  14           2HE      TYR  14   4.092  -3.455   6.443
  121    HH   TYR  14           HH       TYR  14   1.289  -3.709   6.969
  122    H    CYS  15           H        CYS  15   1.707  -3.240   0.187
  123    HA   CYS  15           HA       CYS  15   0.455  -0.724  -0.658
  124    HB2  CYS  15           1HB      CYS  15  -0.314  -3.569  -1.331
  125    HB3  CYS  15           2HB      CYS  15  -1.009  -2.103  -2.040
  126    H    TYR  16           H        TYR  16  -1.817  -0.394  -0.237
  127    HA   TYR  16           HA       TYR  16  -3.077  -1.999   1.818
  128    HB2  TYR  16           1HB      TYR  16  -3.461  -0.009   3.297
  129    HB3  TYR  16           2HB      TYR  16  -1.788  -0.567   3.241
  130    HD1  TYR  16           2HD      TYR  16  -4.076   2.118   2.219
  131    HD2  TYR  16           1HD      TYR  16  -0.038   0.772   2.255
  132    HE1  TYR  16           2HE      TYR  16  -3.324   4.374   1.589
  133    HE2  TYR  16           1HE      TYR  16   0.723   3.025   1.627
  134    HH   TYR  16           HH       TYR  16  -0.807   5.171   0.260
  135    H    MET  17           H        MET  17  -5.245  -0.870   2.459
  136    HA   MET  17           HA       MET  17  -6.502  -0.022  -0.054
  137    HB2  MET  17           1HB      MET  17  -7.432  -1.539   2.340
  138    HB3  MET  17           2HB      MET  17  -8.621  -0.559   1.465
  139    HG2  MET  17           1HG      MET  17  -7.982  -1.751  -0.631
  140    HG3  MET  17           2HG      MET  17  -6.951  -2.799   0.348
  141    HE1  MET  17           3HE      MET  17 -10.461  -3.284  -1.344
  142    HE2  MET  17           1HE      MET  17  -8.781  -3.771  -1.565
  143    HE3  MET  17           2HE      MET  17  -9.943  -4.902  -0.873
  144    H    ASP  18           H        ASP  18  -6.131   2.175  -0.037
  145    HA   ASP  18           HA       ASP  18  -6.646   3.792   2.275
  146    HB2  ASP  18           1HB      ASP  18  -4.970   4.327   0.460
  147    HB3  ASP  18           2HB      ASP  18  -6.341   4.725  -0.581
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -8.834   3.251   2.703
    2    HA2  GLY   1           2HA      GLY   1 -11.125   3.243   2.545
    3    HA3  GLY   1           3HA      GLY   1 -10.913   4.510   1.345
    4    H    ARG   2           H        ARG   2 -11.686   4.092  -0.608
    5    HA   ARG   2           HA       ARG   2 -12.268   1.304  -1.309
    6    HB2  ARG   2           1HB      ARG   2 -13.416   3.951  -2.135
    7    HB3  ARG   2           2HB      ARG   2 -13.609   2.538  -3.186
    8    HG2  ARG   2           1HG      ARG   2 -15.389   1.955  -2.008
    9    HG3  ARG   2           2HG      ARG   2 -14.321   1.669  -0.623
   10    HD2  ARG   2           1HD      ARG   2 -14.517   4.153  -0.119
   11    HD3  ARG   2           2HD      ARG   2 -15.818   4.186  -1.317
   12    HE   ARG   2           HE       ARG   2 -17.201   3.185   0.204
   13   HH11  ARG   2          1HH1      ARG   2 -13.899   2.789   1.237
   14   HH12  ARG   2          2HH1      ARG   2 -14.324   2.113   2.776
   15   HH21  ARG   2          1HH2      ARG   2 -17.772   2.298   2.227
   16   HH22  ARG   2          2HH2      ARG   2 -16.528   1.833   3.336
   17    H    TYR   3           H        TYR   3  -9.614   2.001  -1.517
   18    HA   TYR   3           HA       TYR   3  -9.134   1.496  -4.303
   19    HB2  TYR   3           1HB      TYR   3  -9.302   3.898  -4.442
   20    HB3  TYR   3           2HB      TYR   3  -8.213   4.096  -3.068
   21    HD1  TYR   3           1HD      TYR   3  -8.132   2.294  -6.350
   22    HD2  TYR   3           2HD      TYR   3  -6.086   4.799  -3.585
   23    HE1  TYR   3           1HE      TYR   3  -6.201   2.385  -7.871
   24    HE2  TYR   3           2HE      TYR   3  -4.151   4.899  -5.099
   25    HH   TYR   3           HH       TYR   3  -3.635   4.598  -7.453
   26    H    ARG   4           H        ARG   4  -7.040   0.722  -4.717
   27    HA   ARG   4           HA       ARG   4  -5.598  -0.097  -2.299
   28    HB2  ARG   4           1HB      ARG   4  -6.462  -1.740  -4.109
   29    HB3  ARG   4           2HB      ARG   4  -5.079  -1.172  -5.055
   30    HG2  ARG   4           1HG      ARG   4  -3.749  -2.594  -4.004
   31    HG3  ARG   4           2HG      ARG   4  -4.140  -1.817  -2.461
   32    HD2  ARG   4           1HD      ARG   4  -6.110  -3.247  -2.212
   33    HD3  ARG   4           2HD      ARG   4  -5.754  -4.000  -3.773
   34    HE   ARG   4           HE       ARG   4  -3.491  -4.314  -2.205
   35   HH11  ARG   4          1HH1      ARG   4  -6.830  -5.300  -2.150
   36   HH12  ARG   4          2HH1      ARG   4  -6.516  -6.771  -1.290
   37   HH21  ARG   4          1HH2      ARG   4  -3.066  -6.250  -1.073
   38   HH22  ARG   4          2HH2      ARG   4  -4.375  -7.311  -0.678
   39    H    ARG   5           H        ARG   5  -3.865   1.037  -1.758
   40    HA   ARG   5           HA       ARG   5  -2.380   2.451  -3.863
   41    HB2  ARG   5           1HB      ARG   5  -2.302   2.916  -0.874
   42    HB3  ARG   5           2HB      ARG   5  -1.559   3.925  -2.124
   43    HG2  ARG   5           1HG      ARG   5  -3.960   4.216  -3.026
   44    HG3  ARG   5           2HG      ARG   5  -4.452   3.624  -1.431
   45    HD2  ARG   5           1HD      ARG   5  -4.434   5.985  -1.259
   46    HD3  ARG   5           2HD      ARG   5  -2.972   5.418  -0.442
   47    HE   ARG   5           HE       ARG   5  -1.692   6.436  -2.057
   48   HH11  ARG   5          1HH1      ARG   5  -5.019   6.349  -3.080
   49   HH12  ARG   5          2HH1      ARG   5  -4.767   7.401  -4.432
   50   HH21  ARG   5          1HH2      ARG   5  -1.347   7.822  -3.836
   51   HH22  ARG   5          2HH2      ARG   5  -2.678   8.238  -4.861
   52    H    CYS   6           H        CYS   6  -0.012   2.613  -3.559
   53    HA   CYS   6           HA       CYS   6   1.172   0.361  -2.109
   54    HB2  CYS   6           1HB      CYS   6   1.407   0.913  -5.058
   55    HB3  CYS   6           2HB      CYS   6   2.651   0.000  -4.188
   56    H    ILE   7           H        ILE   7   2.709   1.154  -0.850
   57    HA   ILE   7           HA       ILE   7   4.172   3.548  -1.739
   58    HB   ILE   7           HB       ILE   7   4.717   3.874   0.678
   59   HG12  ILE   7          1HG1      ILE   7   2.493   1.911   1.220
   60   HG13  ILE   7          2HG1      ILE   7   4.194   1.414   1.211
   61   HG21  ILE   7          1HG2      ILE   7   1.749   3.816   0.201
   62   HG22  ILE   7          2HG2      ILE   7   2.670   4.938   1.200
   63   HG23  ILE   7          3HG2      ILE   7   2.822   4.994  -0.556
   64   HD11  ILE   7          3HD1      ILE   7   4.680   3.015   2.989
   65   HD12  ILE   7          1HD1      ILE   7   2.982   3.493   3.017
   66   HD13  ILE   7          2HD1      ILE   7   3.445   1.853   3.471
   67    HA   PRO   8           HA       PRO   8   7.960   1.331  -1.853
   68    HB2  PRO   8           1HB      PRO   8   9.732   3.274  -1.088
   69    HB3  PRO   8           2HB      PRO   8   8.923   3.258  -2.653
   70    HG2  PRO   8           1HG      PRO   8   8.207   4.762  -0.158
   71    HG3  PRO   8           2HG      PRO   8   8.266   5.344  -1.863
   72    HD2  PRO   8           1HD      PRO   8   5.943   4.699  -0.617
   73    HD3  PRO   8           2HD      PRO   8   6.205   4.436  -2.349
   74    H    GLY   9           H        GLY   9   8.699  -0.166  -0.490
   75    HA2  GLY   9           2HA      GLY   9   8.740   0.450   2.387
   76    HA3  GLY   9           3HA      GLY   9   8.654  -1.162   1.693
   77    H    MET  10           H        MET  10  10.421  -1.323   3.420
   78    HA   MET  10           HA       MET  10  13.016  -0.427   2.396
   79    HB2  MET  10           1HB      MET  10  12.116  -0.217   4.882
   80    HB3  MET  10           2HB      MET  10  12.741  -1.872   4.992
   81    HG2  MET  10           1HG      MET  10  14.919  -1.230   4.809
   82    HG3  MET  10           2HG      MET  10  14.526   0.180   3.823
   83    HE1  MET  10           3HE      MET  10  16.462   1.737   6.344
   84    HE2  MET  10           1HE      MET  10  16.363   0.300   7.360
   85    HE3  MET  10           2HE      MET  10  16.606   0.134   5.621
   86    H    PHE  11           H        PHE  11  11.074  -3.252   2.864
   87    HA   PHE  11           HA       PHE  11  13.315  -4.926   1.931
   88    HB2  PHE  11           1HB      PHE  11  10.923  -5.882   3.519
   89    HB3  PHE  11           2HB      PHE  11  12.380  -6.795   3.123
   90    HD1  PHE  11           1HD      PHE  11  11.039  -4.080   5.207
   91    HD2  PHE  11           2HD      PHE  11  14.388  -6.574   4.384
   92    HE1  PHE  11           1HE      PHE  11  12.089  -3.361   7.312
   93    HE2  PHE  11           2HE      PHE  11  15.443  -5.859   6.487
   94    HZ   PHE  11           HZ       PHE  11  14.293  -4.250   7.955
   95    H    ARG  12           H        ARG  12   9.846  -4.305   1.723
   96    HA   ARG  12           HA       ARG  12   9.841  -5.196  -1.029
   97    HB2  ARG  12           1HB      ARG  12   7.741  -6.630  -0.503
   98    HB3  ARG  12           2HB      ARG  12   9.347  -7.314  -0.209
   99    HG2  ARG  12           1HG      ARG  12   8.168  -5.883   2.078
  100    HG3  ARG  12           2HG      ARG  12   7.321  -7.356   1.575
  101    HD2  ARG  12           1HD      ARG  12   9.275  -8.694   1.857
  102    HD3  ARG  12           2HD      ARG  12  10.292  -7.259   2.049
  103    HE   ARG  12           HE       ARG  12   9.751  -7.242   4.261
  104   HH11  ARG  12          1HH1      ARG  12   7.323  -9.049   2.541
  105   HH12  ARG  12          2HH1      ARG  12   6.484  -9.538   3.976
  106   HH21  ARG  12          1HH2      ARG  12   8.654  -7.878   6.158
  107   HH22  ARG  12          2HH2      ARG  12   7.242  -8.870   6.032
  108    H    ALA  13           H        ALA  13   7.623  -4.868  -2.018
  109    HA   ALA  13           HA       ALA  13   6.769  -2.233  -1.568
  110    HB1  ALA  13           1HB      ALA  13   4.855  -2.865  -3.075
  111    HB2  ALA  13           2HB      ALA  13   6.468  -3.159  -3.728
  112    HB3  ALA  13           3HB      ALA  13   5.513  -4.501  -3.094
  113    H    TYR  14           H        TYR  14   5.184  -1.353  -0.359
  114    HA   TYR  14           HA       TYR  14   3.556  -3.188   1.273
  115    HB2  TYR  14           1HB      TYR  14   5.367  -1.643   2.358
  116    HB3  TYR  14           2HB      TYR  14   4.166  -0.373   2.114
  117    HD1  TYR  14           2HD      TYR  14   1.764  -0.867   3.019
  118    HD2  TYR  14           1HD      TYR  14   5.266  -2.902   4.319
  119    HE1  TYR  14           2HE      TYR  14   0.609  -1.516   5.092
  120    HE2  TYR  14           1HE      TYR  14   4.122  -3.558   6.396
  121    HH   TYR  14           HH       TYR  14   2.277  -3.371   7.618
  122    H    CYS  15           H        CYS  15   1.676  -3.272   0.156
  123    HA   CYS  15           HA       CYS  15   0.426  -0.747  -0.670
  124    HB2  CYS  15           1HB      CYS  15  -0.347  -3.584  -1.372
  125    HB3  CYS  15           2HB      CYS  15  -1.035  -2.110  -2.069
  126    H    TYR  16           H        TYR  16  -1.841  -0.412  -0.241
  127    HA   TYR  16           HA       TYR  16  -3.110  -2.040   1.788
  128    HB2  TYR  16           1HB      TYR  16  -3.484  -0.075   3.299
  129    HB3  TYR  16           2HB      TYR  16  -1.811  -0.635   3.232
  130    HD1  TYR  16           2HD      TYR  16  -4.096   2.064   2.222
  131    HD2  TYR  16           1HD      TYR  16  -0.058   0.724   2.302
  132    HE1  TYR  16           2HE      TYR  16  -3.340   4.326   1.629
  133    HE2  TYR  16           1HE      TYR  16   0.708   2.984   1.709
  134    HH   TYR  16           HH       TYR  16   0.039   5.010   0.926
  135    H    MET  17           H        MET  17  -5.273  -0.907   2.446
  136    HA   MET  17           HA       MET  17  -6.529  -0.034  -0.057
  137    HB2  MET  17           1HB      MET  17  -7.460  -1.536   2.343
  138    HB3  MET  17           2HB      MET  17  -8.644  -0.535   1.489
  139    HG2  MET  17           1HG      MET  17  -8.048  -1.728  -0.622
  140    HG3  MET  17           2HG      MET  17  -7.031  -2.800   0.343
  141    HE1  MET  17           3HE      MET  17  -8.595  -4.796  -0.891
  142    HE2  MET  17           1HE      MET  17 -10.355  -4.781  -0.756
  143    HE3  MET  17           2HE      MET  17  -9.526  -3.493  -1.631
  144    H    ASP  18           H        ASP  18  -6.111   2.157  -0.042
  145    HA   ASP  18           HA       ASP  18  -6.601   3.787   2.265
  146    HB2  ASP  18           1HB      ASP  18  -4.923   4.271   0.414
  147    HB3  ASP  18           2HB      ASP  18  -6.305   4.741  -0.582