*HEADER    VIRUS/VIRAL PROTEIN                     08-FEB-02   1KZT              
*TITLE     STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 VPR(34-51)           
*TITLE    2 PEPTIDE IN DPC MICELLE CONTAINING AQUEOUS SOLUTION                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VPR PROTEIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 34-51;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED. IT           
*SOURCE   4 IS NATURALLY FOUND IN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1            
*SOURCE   5 (NEW YORK-5 ISOLATE) (HIV-1).                                        
*KEYWDS    HIV-1, VPR, PEPTIDE, SOLUTION STRUCTURE,                              
*KEYWDS   2 DODECYLPHOSPHOCHOLINE, MICELLES, NMR                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.ENGLER, T.STANGLER, D.WILLBOLD                                      
*REVDAT   1   28-AUG-02 1KZT    0                                                
assign (resid 43 and name HN) (resid 44 and name HN)  0.0 0.0 3.5
assign (resid 43 and name HN) (resid 42 and name HN)  0.0 0.0 3.5
assign (resid 47 and name HN) (resid 48 and name HN)  0.0 0.0 3.5
assign (resid 41 and name HN) (resid 42 and name HN)  0.0 0.0 3.5
assign (resid 41 and name HN) (resid 40 and name HN)  0.0 0.0 3.5
assign (resid 36 and name HN) (resid 37 and name HN)  0.0 0.0 3.5
assign (resid 44 and name HN) (resid 45 and name HN)  0.0 0.0 3.5
assign (resid 40 and name HN) (resid 39 and name HN)  0.0 0.0 3.5
assign (resid 48 and name HN) (resid 49 and name HN)  0.0 0.0 5.0
assign (resid 50 and name HN) (resid 49 and name HN)  0.0 0.0 3.5
assign (resid 50 and name HN) (resid 51 and name HN)  0.0 0.0 3.5
assign (resid 46 and name HN) (resid 45 and name HN)  0.0 0.0 3.5
assign (resid 48 and name HN) (resid 47 and name HD*)  0.0 0.0 5.0
assign (resid 39 and name HN) (resid 38 and name HE3)  0.0 0.0 5.0
assign (resid 51 and name HN) (resid 50 and name HD*)  0.0 0.0 5.0
assign (resid 51 and name HN) (resid 50 and name HA)  0.0 0.0 3.5
assign (resid 37 and name HN) (resid 34 and name HA)  0.0 0.0 5.0
assign (resid 42 and name HN) (resid 41 and name HA)  0.0 0.0 5.0
assign (resid 36 and name HN) (resid 34 and name HA)  0.0 0.0 3.5
assign (resid 44 and name HN) (resid 41 and name HA)  0.0 0.0 5.0
assign (resid 46 and name HN) (resid 45 and name HA)  0.0 0.0 5.0
assign (resid 48 and name HN) (resid 47 and name HA)  0.0 0.0 5.0
assign (resid 48 and name HN) (resid 44 and name HA)  0.0 0.0 5.0
assign (resid 41 and name HN) (resid 40 and name HA)  0.0 0.0 5.0
assign (resid 43 and name HN) (resid 42 and name HA)  0.0 0.0 3.5
assign (resid 45 and name HN) (resid 42 and name HA)  0.0 0.0 5.0
assign (resid 40 and name HN) (resid 37 and name HA)  0.0 0.0 5.0
assign (resid 42 and name HN) (resid 39 and name HA)  0.0 0.0 5.0
assign (resid 43 and name HN) (resid 39 and name HA)  0.0 0.0 5.0 
assign (resid 44 and name HN) (resid 43 and name HA*)  0.0 0.0 3.5
assign (resid 34 and name HN) (resid 35 and name HD2)  0.0 0.0 5.0
assign (resid 42 and name HN) (resid 41 and name HB1)  0.0 0.0 5.0
assign (resid 42 and name HN) (resid 41 and name HB2)  0.0 0.0 5.0
assign (resid 48 and name HN) (resid 47 and name HB2)  0.0 0.0 3.5
assign (resid 40 and name HN) (resid 39 and name HB*)  0.0 0.0 3.5
assign (resid 40 and name HN) (resid 39 and name HG)  0.0 0.0 5.0
assign (resid 41 and name HD22) (resid 37 and name HD*)  0.0 0.0 5.0
assign (resid 38 and name HD1) (resid 37 and name HD*)  0.0 0.0 3.5
assign (resid 38 and name HE3) (resid 37 and name HD*)  0.0 0.0 5.0 
assign (resid 50 and name HD*) (resid 49 and name HG2*)  0.0 0.0 3.5
assign (resid 38 and name HH2) (resid 37 and name HD*)  0.0 0.0 5.0
assign (resid 38 and name HH2) (resid 42 and name HD*)  0.0 0.0 3.5
assign (resid 50 and name HD*) (resid 46 and name HG2*)  0.0 0.0 3.5
assign (resid 41 and name HD22) (resid 38 and name HA)  0.0 0.0 5.0
assign (resid 47 and name HD*) (resid 48 and name HG2)  0.0 0.0 5.0
assign (resid 51 and name HN) (resid 50 and name HB2)  0.0 0.0 5.0
assign (resid 51 and name HN) (resid 50 and name HB1)  0.0 0.0 5.0
assign (resid 47 and name HD*) (resid 48 and name HG1)  0.0 0.0 5.0
assign (resid 34 and name HD*) (resid 36 and name HB*)  0.0 0.0 5.0
assign (resid 49 and name HN) (resid 48 and name HB1)  0.0 0.0 5.0
assign (resid 49 and name HN) (resid 48 and name HB2)  0.0 0.0 5.0
assign (resid 49 and name HN) (resid 48 and name HG1)  0.0 0.0 5.0
assign (resid 49 and name HN) (resid 48 and name HG2)  0.0 0.0 5.0
assign (resid 38 and name HZ2) (resid 42 and name HD*)  0.0 0.0 5.0
assign (resid 50 and name HD*) (resid 46 and name HG11)  0.0 0.0 5.0
assign (resid 38 and name HE3) (resid 39 and name HG)  0.0 0.0 5.0
assign (resid 38 and name HE3) (resid 39 and name HB*)  0.0 0.0 5.0 
assign (resid 50 and name HD*) (resid 49 and name HA)  0.0 0.0 5.0
assign (resid 50 and name HB1) (resid 46 and name HG2*)  0.0 0.0 5.0
assign (resid 50 and name HB2) (resid 46 and name HG2*)  0.0 0.0 5.0
assign (resid 42 and name HA) (resid 45 and name HB1)  0.0 0.0 5.0
assign (resid 42 and name HA) (resid 45 and name HB2)  0.0 0.0 5.0
assign (resid 44 and name HA) (resid 47 and name HB1)  0.0 0.0 3.5
assign (resid 44 and name HA) (resid 47 and name HB2)  0.0 0.0 3.5
assign (resid 39 and name HA) (resid 42 and name HB1)  0.0 0.0 5.0
assign (resid 37 and name HN) (resid 36 and name HB*)  0.0 0.0 5.0
assign (resid 37 and name HA) (resid 40 and name HB1)  0.0 0.0 5.0
assign (resid 37 and name HA) (resid 40 and name HB2)  0.0 0.0 5.0
assign (resid 41 and name HN) (resid 40 and name HB1)  0.0 0.0 5.0
assign (resid 41 and name HN) (resid 40 and name HB2)  0.0 0.0 5.0
assign (resid 41 and name HA) (resid 44 and name HB*)  0.0 0.0 5.0
assign (resid 43 and name HN) (resid 42 and name HB2)  0.0 0.0 5.0
assign (resid 43 and name HN) (resid 42 and name HB1)  0.0 0.0 5.0
assign (resid 46 and name HN) (resid 45 and name HB1)  0.0 0.0 5.0
assign (resid 46 and name HN) (resid 45 and name HB2)  0.0 0.0 5.0
assign (resid 45 and name HN) (resid 44 and name HB*)  0.0 0.0 3.5
assign (resid 48 and name HN) (resid 45 and name HA)  0.0 0.0 5.0
assign (resid 45 and name HA) (resid 48 and name HB2)  0.0 0.0 5.0
assign (resid 51 and name HN) (resid 48 and name HA)  0.0 0.0 5.0
assign (resid 50 and name HN) (resid 49 and name HB)  0.0 0.0 5.0
assign (resid 34 and name HD*) (resid 34 and name HB2)  0.0 0.0 5.0
assign (resid 34 and name HD*) (resid 34 and name HA)  0.0 0.0 5.0
assign (resid 34 and name HN) (resid 34 and name HD*)  0.0 0.0 5.0
assign (resid 36 and name HN) (resid 36 and name HD*)  0.0 0.0 5.0
assign (resid 36 and name HE) (resid 36 and name HD*)  0.0 0.0 5.0
assign (resid 38 and name HD1) (resid 38 and name HB*)  0.0 0.0 5.0
assign (resid 38 and name HE3) (resid 38 and name HB*)  0.0 0.0 5.0
assign (resid 40 and name HD2) (resid 40 and name HB1)  0.0 0.0 5.0
assign (resid 40 and name HD2) (resid 40 and name HA)  0.0 0.0 5.0
assign (resid 41 and name HD22) (resid 41 and name HB1)  0.0 0.0 5.0
assign (resid 41 and name HD22) (resid 41 and name HB2)  0.0 0.0 5.0
assign (resid 41 and name HD21) (resid 41 and name HB1)  0.0 0.0 5.0
assign (resid 41 and name HD21) (resid 41 and name HB2)  0.0 0.0 5.0
assign (resid 44 and name HE21) (resid 44 and name HG*)  0.0 0.0 5.0
assign (resid 44 and name HE22) (resid 44 and name HG*)  0.0 0.0 5.0
assign (resid 45 and name HD2) (resid 45 and name HB2)  0.0 0.0 5.0
assign (resid 45 and name HD2) (resid 45 and name HB1)  0.0 0.0 5.0
assign (resid 47 and name HE*) (resid 47 and name HB2)  0.0 0.0 5.0
assign (resid 47 and name HD*) (resid 47 and name HB2)  0.0 0.0 5.0
assign (resid 47 and name HD*) (resid 47 and name HB1)  0.0 0.0 5.0
assign (resid 47 and name HD*) (resid 47 and name HE*)  0.0 0.0 5.0
assign (resid 50 and name HD*) (resid 50 and name HB1)  0.0 0.0 5.0
assign (resid 50 and name HE*) (resid 50 and name HB1)  0.0 0.0 5.0
assign (resid 50 and name HD*) (resid 50 and name HB2)  0.0 0.0 5.0
assign (resid 50 and name HE*) (resid 50 and name HB2)  0.0 0.0 5.0
assign (resid 49 and name HN) (resid 48 and name HA)  0.0 0.0 5.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE  33          1H        ACE  33  15.365  -0.016   6.503
    2   2H    ACE  33          2H        ACE  33  14.501   1.219   5.587
    3   3H    ACE  33          3H        ACE  33  15.042  -0.257   4.786
    4    H    PHE  34           H        PHE  34  13.549  -0.138   7.986
    5    HA   PHE  34           HA       PHE  34  11.648  -2.204   7.354
    6   1HB   PHE  34          2HB       PHE  34  12.267  -0.318   9.580
    7   2HB   PHE  34          1HB       PHE  34  10.677  -1.081   9.596
    8    HD1  PHE  34           1HD      PHE  34  13.718  -2.606   8.133
    9    HD2  PHE  34           2HD      PHE  34  11.029  -2.546  11.481
   10    HE1  PHE  34           1HE      PHE  34  14.732  -4.703   8.985
   11    HE2  PHE  34           2HE      PHE  34  12.043  -4.642  12.334
   12    HZ   PHE  34           HZ       PHE  34  13.895  -5.721  11.085
   13    HA   PRO  35           HA       PRO  35   8.762   0.304   5.097
   14   1HB   PRO  35          2HB       PRO  35   6.585  -1.324   5.408
   15   2HB   PRO  35          1HB       PRO  35   7.868  -1.646   4.226
   16   1HG   PRO  35          2HG       PRO  35   7.415  -2.842   6.917
   17   2HG   PRO  35          1HG       PRO  35   7.956  -3.612   5.418
   18   1HD   PRO  35          2HD       PRO  35   9.637  -2.923   7.452
   19   2HD   PRO  35          1HD       PRO  35  10.141  -3.009   5.753
   20    H    ARG  36           H        ARG  36   8.562  -0.781   8.384
   21    HA   ARG  36           HA       ARG  36   6.159   0.321   9.329
   22   1HB   ARG  36          2HB       ARG  36   7.846  -1.028  10.585
   23   2HB   ARG  36          1HB       ARG  36   8.902   0.383  10.629
   24   1HG   ARG  36          2HG       ARG  36   7.725   0.371  12.715
   25   2HG   ARG  36          1HG       ARG  36   6.970   1.630  11.737
   26   1HD   ARG  36          2HD       ARG  36   5.205  -0.004  11.054
   27   2HD   ARG  36          1HD       ARG  36   5.937  -1.203  12.136
   28    HE   ARG  36           HE       ARG  36   4.288   1.000  12.984
   29   1HH1  ARG  36          1HH2      ARG  36   6.615  -1.316  13.890
   30   2HH1  ARG  36          2HH2      ARG  36   6.795  -0.726  15.508
   31   1HH2  ARG  36          1HH1      ARG  36   4.751   2.032  15.013
   32   2HH2  ARG  36          2HH1      ARG  36   5.740   1.170  16.144
   33    H    ILE  37           H        ILE  37   9.159   1.971   8.435
   34    HA   ILE  37           HA       ILE  37   8.678   4.502   9.639
   35    HB   ILE  37           HB       ILE  37  10.228   5.273   7.806
   36   1HG1  ILE  37          2HG1      ILE  37  10.905   2.742   6.712
   37   2HG1  ILE  37          1HG1      ILE  37   9.157   2.915   6.552
   38   1HG2  ILE  37          1HG2      ILE  37  12.092   4.055   8.630
   39   2HG2  ILE  37          2HG2      ILE  37  11.121   2.612   8.922
   40   3HG2  ILE  37          3HG2      ILE  37  10.925   4.029   9.951
   41   1HD1  ILE  37          1HD1      ILE  37  10.152   3.902   4.590
   42   2HD1  ILE  37          2HD1      ILE  37  11.293   4.826   5.568
   43   3HD1  ILE  37          3HD1      ILE  37   9.576   5.227   5.602
   44    H    TRP  38           H        TRP  38   8.719   6.262   7.342
   45    HA   TRP  38           HA       TRP  38   5.978   6.823   6.988
   46   1HB   TRP  38          2HB       TRP  38   6.809   8.252   5.124
   47   2HB   TRP  38          1HB       TRP  38   7.813   8.394   6.566
   48    HD1  TRP  38           HD       TRP  38  10.304   8.014   6.251
   49    HE1  TRP  38           1HE      TRP  38  11.794   7.013   4.401
   50    HE3  TRP  38           3HE      TRP  38   6.710   6.250   3.076
   51    HZ2  TRP  38           2HZ      TRP  38  11.500   5.643   1.905
   52    HZ3  TRP  38           3HZ      TRP  38   7.348   5.101   0.977
   53    HH2  TRP  38           HH       TRP  38   9.725   4.799   0.386
   54    H    LEU  39           H        LEU  39   7.915   4.392   5.447
   55    HA   LEU  39           HA       LEU  39   6.421   4.120   2.995
   56   1HB   LEU  39          2HB       LEU  39   8.693   3.214   3.446
   57   2HB   LEU  39          1HB       LEU  39   7.998   2.093   4.615
   58    HG   LEU  39           HG       LEU  39   6.495   1.271   2.712
   59   1HD1  LEU  39          1HD1      LEU  39   7.592   1.663   0.429
   60   2HD1  LEU  39          2HD1      LEU  39   8.470   2.987   1.197
   61   3HD1  LEU  39          3HD1      LEU  39   6.709   3.029   1.113
   62   1HD2  LEU  39          1HD2      LEU  39   9.254   0.705   3.339
   63   2HD2  LEU  39          2HD2      LEU  39   8.965   0.426   1.622
   64   3HD2  LEU  39          3HD2      LEU  39   7.987  -0.410   2.828
   65    H    HIS  40           H        HIS  40   5.684   3.358   6.268
   66    HA   HIS  40           HA       HIS  40   3.855   1.141   5.723
   67   1HB   HIS  40          1HB       HIS  40   5.093   1.487   7.856
   68   2HB   HIS  40          2HB       HIS  40   4.187   2.975   8.122
   69    HD1  HIS  40           1HD      HIS  40   3.404  -0.706   7.442
   70    HD2  HIS  40           2HD      HIS  40   1.875   2.541   9.566
   71    HE1  HIS  40           1HE      HIS  40   1.384  -1.564   8.707
   72    H    ASN  41           H        ASN  41   3.552   4.638   6.342
   73    HA   ASN  41           HA       ASN  41   0.674   4.711   6.381
   74   1HB   ASN  41          2HB       ASN  41   1.065   7.137   6.132
   75   2HB   ASN  41          1HB       ASN  41   2.201   6.444   7.291
   76   1HD2  ASN  41          1HD2      ASN  41   4.160   7.533   6.968
   77   2HD2  ASN  41          2HD2      ASN  41   4.883   7.796   5.455
   78    H    LEU  42           H        LEU  42   3.022   4.572   3.796
   79    HA   LEU  42           HA       LEU  42   1.380   5.679   1.696
   80   1HB   LEU  42          1HB       LEU  42   3.728   3.760   1.755
   81   2HB   LEU  42          2HB       LEU  42   3.078   4.454   0.272
   82    HG   LEU  42           HG       LEU  42   4.417   5.884   2.574
   83   1HD1  LEU  42          1HD1      LEU  42   6.026   6.485   0.997
   84   2HD1  LEU  42          2HD1      LEU  42   4.905   6.325  -0.356
   85   3HD1  LEU  42          3HD1      LEU  42   5.567   4.883   0.417
   86   1HD2  LEU  42          1HD2      LEU  42   2.628   7.003   0.404
   87   2HD2  LEU  42          2HD2      LEU  42   3.810   7.991   1.264
   88   3HD2  LEU  42          3HD2      LEU  42   2.485   7.231   2.147
   89    H    GLY  43           H        GLY  43   1.728   2.452   3.085
   90   1HA   GLY  43          2HA       GLY  43   0.373   0.992   1.038
   91   2HA   GLY  43          1HA       GLY  43   0.497   0.485   2.724
   92    H    GLN  44           H        GLN  44  -0.795   2.941   3.725
   93    HA   GLN  44           HA       GLN  44  -3.511   2.082   3.792
   94   1HB   GLN  44          2HB       GLN  44  -2.207   4.781   4.277
   95   2HB   GLN  44          1HB       GLN  44  -3.840   4.357   4.790
   96   1HG   GLN  44          2HG       GLN  44  -2.966   2.548   6.186
   97   2HG   GLN  44          1HG       GLN  44  -1.328   2.873   5.621
   98   1HE2  GLN  44          1HE2      GLN  44  -1.926   3.034   8.394
   99   2HE2  GLN  44          2HE2      GLN  44  -1.839   4.656   8.884
  100    H    HIS  45           H        HIS  45  -1.816   4.330   1.645
  101    HA   HIS  45           HA       HIS  45  -4.033   5.610   0.424
  102   1HB   HIS  45          2HB       HIS  45  -1.628   6.190   0.178
  103   2HB   HIS  45          1HB       HIS  45  -1.385   4.724  -0.770
  104    HD1  HIS  45           1HD      HIS  45  -3.775   7.711  -0.881
  105    HD2  HIS  45           2HD      HIS  45  -1.619   5.246  -3.462
  106    HE1  HIS  45           1HE      HIS  45  -4.211   8.570  -3.224
  107    H    ILE  46           H        ILE  46  -2.410   2.540  -0.432
  108    HA   ILE  46           HA       ILE  46  -3.832   1.909  -2.785
  109    HB   ILE  46           HB       ILE  46  -2.807   0.154  -0.532
  110   1HG1  ILE  46          1HG1      ILE  46  -1.541   0.996  -3.157
  111   2HG1  ILE  46          2HG1      ILE  46  -1.134   1.670  -1.578
  112   1HG2  ILE  46          1HG2      ILE  46  -4.422  -0.607  -2.660
  113   2HG2  ILE  46          2HG2      ILE  46  -3.357  -1.674  -1.747
  114   3HG2  ILE  46          3HG2      ILE  46  -2.793  -0.938  -3.246
  115   1HD1  ILE  46          1HD1      ILE  46   0.437   0.024  -1.521
  116   2HD1  ILE  46          2HD1      ILE  46  -0.372  -0.918  -2.773
  117   3HD1  ILE  46          3HD1      ILE  46  -0.917  -1.024  -1.099
  118    H    TYR  47           H        TYR  47  -4.713   1.233   0.617
  119    HA   TYR  47           HA       TYR  47  -7.034  -0.297   0.247
  120   1HB   TYR  47          1HB       TYR  47  -5.903   0.347   2.392
  121   2HB   TYR  47          2HB       TYR  47  -6.594   1.961   2.227
  122    HD1  TYR  47           1HD      TYR  47  -7.396  -1.632   2.694
  123    HD2  TYR  47           2HD      TYR  47  -8.914   2.386   2.691
  124    HE1  TYR  47           1HE      TYR  47  -9.507  -2.428   3.722
  125    HE2  TYR  47           2HE      TYR  47 -11.025   1.589   3.720
  126    HH   TYR  47           HH       TYR  47 -12.308  -0.548   3.857
  127    H    GLU  48           H        GLU  48  -6.737   3.269   0.231
  128    HA   GLU  48           HA       GLU  48  -9.505   3.852  -0.182
  129   1HB   GLU  48          2HB       GLU  48  -6.949   5.291  -0.966
  130   2HB   GLU  48          1HB       GLU  48  -8.550   6.032  -0.994
  131   1HG   GLU  48          2HG       GLU  48  -8.795   5.522   1.432
  132   2HG   GLU  48          1HG       GLU  48  -7.155   4.870   1.437
  133    H    THR  49           H        THR  49  -6.863   3.147  -2.455
  134    HA   THR  49           HA       THR  49  -8.226   3.802  -4.879
  135    HB   THR  49           HB       THR  49  -6.138   1.674  -4.302
  136    HG1  THR  49           1HG      THR  49  -4.743   3.458  -4.952
  137   1HG2  THR  49          1HG2      THR  49  -7.070   1.436  -6.533
  138   2HG2  THR  49          2HG2      THR  49  -5.463   2.152  -6.664
  139   3HG2  THR  49          3HG2      THR  49  -6.897   3.166  -6.826
  140    H    TYR  50           H        TYR  50  -8.161   0.836  -2.923
  141    HA   TYR  50           HA       TYR  50 -10.113  -0.423  -4.809
  142   1HB   TYR  50          1HB       TYR  50  -8.356  -1.537  -2.597
  143   2HB   TYR  50          2HB       TYR  50  -9.401  -2.504  -3.638
  144    HD1  TYR  50           1HD      TYR  50  -6.233  -0.744  -3.355
  145    HD2  TYR  50           2HD      TYR  50  -8.973  -2.567  -6.116
  146    HE1  TYR  50           1HE      TYR  50  -4.448  -0.821  -5.075
  147    HE2  TYR  50           2HE      TYR  50  -7.188  -2.643  -7.836
  148    HH   TYR  50           HH       TYR  50  -4.355  -0.892  -7.623
  149    H    GLY  51           H        GLY  51 -10.398   1.571  -2.333
  150   1HA   GLY  51          1HA       GLY  51 -12.359  -0.056  -0.790
  151   2HA   GLY  51          2HA       GLY  51 -11.659   1.470  -0.248
  152   1HN   NH2  52          1H        GLY  51 -13.272   3.036  -0.235
  153   2HN   NH2  52          2H        GLY  51 -14.455   3.232  -1.436
  Start of MODEL    2
    1   1H    ACE  33          1H        ACE  33   2.199   3.418  13.925
    2   2H    ACE  33          2H        ACE  33   1.209   4.735  13.298
    3   3H    ACE  33          3H        ACE  33   1.576   4.650  15.021
    4    H    PHE  34           H        PHE  34   3.288   4.811  11.882
    5    HA   PHE  34           HA       PHE  34   5.197   6.741  13.157
    6   1HB   PHE  34          2HB       PHE  34   5.682   4.107  12.330
    7   2HB   PHE  34          1HB       PHE  34   6.326   5.102  11.025
    8    HD1  PHE  34           1HD      PHE  34   6.233   5.067  14.782
    9    HD2  PHE  34           2HD      PHE  34   8.518   5.856  11.231
   10    HE1  PHE  34           1HE      PHE  34   8.209   5.619  16.175
   11    HE2  PHE  34           2HE      PHE  34  10.493   6.409  12.625
   12    HZ   PHE  34           HZ       PHE  34  10.338   6.289  15.097
   13    HA   PRO  35           HA       PRO  35   3.264   8.456   9.319
   14   1HB   PRO  35          2HB       PRO  35   3.104  11.024  10.249
   15   2HB   PRO  35          1HB       PRO  35   1.835   9.815  10.526
   16   1HG   PRO  35          2HG       PRO  35   3.999  10.756  12.348
   17   2HG   PRO  35          1HG       PRO  35   2.309  10.375  12.709
   18   1HD   PRO  35          2HD       PRO  35   4.376   8.686  13.249
   19   2HD   PRO  35          1HD       PRO  35   2.728   8.129  12.902
   20    H    ARG  36           H        ARG  36   6.117   8.868  11.121
   21    HA   ARG  36           HA       ARG  36   7.388  11.042   9.761
   22   1HB   ARG  36          2HB       ARG  36   8.492   8.536  11.068
   23   2HB   ARG  36          1HB       ARG  36   9.433   9.982  10.699
   24   1HG   ARG  36          2HG       ARG  36   6.936  10.081  12.403
   25   2HG   ARG  36          1HG       ARG  36   8.533   9.791  13.094
   26   1HD   ARG  36          2HD       ARG  36   7.834  12.196  11.368
   27   2HD   ARG  36          1HD       ARG  36   7.915  12.218  13.139
   28    HE   ARG  36           HE       ARG  36  10.305  11.047  11.987
   29   1HH1  ARG  36          1HH2      ARG  36   8.756  14.070  11.800
   30   2HH1  ARG  36          2HH2      ARG  36  10.151  14.987  12.261
   31   1HH2  ARG  36          1HH1      ARG  36  12.085  12.192  12.954
   32   2HH2  ARG  36          2HH1      ARG  36  12.035  13.923  12.917
   33    H    ILE  37           H        ILE  37   6.846   7.701   8.848
   34    HA   ILE  37           HA       ILE  37   8.487   8.160   6.380
   35    HB   ILE  37           HB       ILE  37   9.564   6.503   7.694
   36   1HG1  ILE  37          2HG1      ILE  37   9.377   4.514   6.362
   37   2HG1  ILE  37          1HG1      ILE  37   7.720   4.903   5.906
   38   1HG2  ILE  37          1HG2      ILE  37   8.070   4.495   8.476
   39   2HG2  ILE  37          2HG2      ILE  37   6.747   5.646   8.293
   40   3HG2  ILE  37          3HG2      ILE  37   8.066   5.991   9.412
   41   1HD1  ILE  37          1HD1      ILE  37  10.192   6.495   5.153
   42   2HD1  ILE  37          2HD1      ILE  37   8.536   6.926   4.724
   43   3HD1  ILE  37          3HD1      ILE  37   9.262   5.458   4.071
   44    H    TRP  38           H        TRP  38   7.213   8.300   4.596
   45    HA   TRP  38           HA       TRP  38   4.412   7.807   4.541
   46   1HB   TRP  38          2HB       TRP  38   4.760   8.041   2.077
   47   2HB   TRP  38          1HB       TRP  38   5.604   9.284   3.000
   48    HD1  TRP  38           HD       TRP  38   8.200   9.332   2.911
   49    HE1  TRP  38           1HE      TRP  38   9.964   8.011   1.572
   50    HE3  TRP  38           3HE      TRP  38   5.266   5.598   1.027
   51    HZ2  TRP  38           2HZ      TRP  38  10.110   5.680  -0.082
   52    HZ3  TRP  38           3HZ      TRP  38   6.241   3.845  -0.426
   53    HH2  TRP  38           HH       TRP  38   8.655   3.880  -0.981
   54    H    LEU  39           H        LEU  39   7.135   5.748   3.450
   55    HA   LEU  39           HA       LEU  39   5.659   3.667   2.247
   56   1HB   LEU  39          2HB       LEU  39   8.140   3.950   2.290
   57   2HB   LEU  39          1HB       LEU  39   8.139   3.475   3.988
   58    HG   LEU  39           HG       LEU  39   6.881   1.355   3.166
   59   1HD1  LEU  39          1HD1      LEU  39   8.281   2.075   0.585
   60   2HD1  LEU  39          2HD1      LEU  39   6.569   2.411   0.850
   61   3HD1  LEU  39          3HD1      LEU  39   7.157   0.749   0.876
   62   1HD2  LEU  39          1HD2      LEU  39   9.564   1.953   3.602
   63   2HD2  LEU  39          2HD2      LEU  39   9.570   1.117   2.048
   64   3HD2  LEU  39          3HD2      LEU  39   8.875   0.335   3.468
   65    H    HIS  40           H        HIS  40   5.921   4.570   5.591
   66    HA   HIS  40           HA       HIS  40   5.097   2.012   6.712
   67   1HB   HIS  40          1HB       HIS  40   6.417   3.800   7.860
   68   2HB   HIS  40          2HB       HIS  40   4.991   4.836   7.830
   69    HD1  HIS  40           1HD      HIS  40   6.043   1.411   9.139
   70    HD2  HIS  40           2HD      HIS  40   3.274   4.413   9.972
   71    HE1  HIS  40           1HE      HIS  40   4.866   0.727  11.274
   72    H    ASN  41           H        ASN  41   3.469   5.048   5.821
   73    HA   ASN  41           HA       ASN  41   0.830   3.789   6.450
   74   1HB   ASN  41          2HB       ASN  41   0.093   6.233   6.133
   75   2HB   ASN  41          1HB       ASN  41   1.130   5.906   7.520
   76   1HD2  ASN  41          1HD2      ASN  41   2.959   7.215   7.676
   77   2HD2  ASN  41          2HD2      ASN  41   3.636   8.097   6.394
   78    H    LEU  42           H        LEU  42   2.871   3.946   3.907
   79    HA   LEU  42           HA       LEU  42   1.325   4.964   1.732
   80   1HB   LEU  42          2HB       LEU  42   3.767   4.420   1.763
   81   2HB   LEU  42          1HB       LEU  42   3.352   2.706   1.803
   82    HG   LEU  42           HG       LEU  42   1.976   3.168  -0.324
   83   1HD1  LEU  42          1HD1      LEU  42   3.663   5.308  -1.219
   84   2HD1  LEU  42          2HD1      LEU  42   2.878   5.804   0.280
   85   3HD1  LEU  42          3HD1      LEU  42   1.904   5.281  -1.094
   86   1HD2  LEU  42          1HD2      LEU  42   4.750   2.628   0.099
   87   2HD2  LEU  42          2HD2      LEU  42   4.611   3.654  -1.328
   88   3HD2  LEU  42          3HD2      LEU  42   3.738   2.124  -1.255
   89    H    GLY  43           H        GLY  43   1.472   1.758   3.246
   90   1HA   GLY  43          2HA       GLY  43  -0.068   0.307   1.372
   91   2HA   GLY  43          1HA       GLY  43  -0.007  -0.060   3.096
   92    H    GLN  44           H        GLN  44  -1.081   2.470   3.985
   93    HA   GLN  44           HA       GLN  44  -3.890   1.913   3.891
   94   1HB   GLN  44          2HB       GLN  44  -2.308   4.408   4.594
   95   2HB   GLN  44          1HB       GLN  44  -4.006   4.157   4.998
   96   1HG   GLN  44          2HG       GLN  44  -3.425   2.187   6.333
   97   2HG   GLN  44          1HG       GLN  44  -1.729   2.353   5.877
   98   1HE2  GLN  44          1HE2      GLN  44  -2.493   2.441   8.621
   99   2HE2  GLN  44          2HE2      GLN  44  -2.248   4.015   9.207
  100    H    HIS  45           H        HIS  45  -1.809   4.066   1.996
  101    HA   HIS  45           HA       HIS  45  -3.787   5.637   0.701
  102   1HB   HIS  45          2HB       HIS  45  -1.356   6.030   0.635
  103   2HB   HIS  45          1HB       HIS  45  -1.133   4.547  -0.293
  104    HD1  HIS  45           1HD      HIS  45  -2.466   4.514  -2.681
  105    HD2  HIS  45           2HD      HIS  45  -1.875   8.255  -0.938
  106    HE1  HIS  45           1HE      HIS  45  -2.831   6.223  -4.514
  107    H    ILE  46           H        ILE  46  -2.368   2.495  -0.278
  108    HA   ILE  46           HA       ILE  46  -3.740   2.160  -2.728
  109    HB   ILE  46           HB       ILE  46  -2.956   0.112  -0.627
  110   1HG1  ILE  46          2HG1      ILE  46  -1.010   1.387  -1.138
  111   2HG1  ILE  46          1HG1      ILE  46  -0.903  -0.046  -2.160
  112   1HG2  ILE  46          1HG2      ILE  46  -2.591  -1.149  -2.960
  113   2HG2  ILE  46          2HG2      ILE  46  -3.881  -0.054  -3.458
  114   3HG2  ILE  46          3HG2      ILE  46  -4.145  -1.177  -2.125
  115   1HD1  ILE  46          1HD1      ILE  46  -1.440   2.788  -2.918
  116   2HD1  ILE  46          2HD1      ILE  46  -2.272   1.535  -3.840
  117   3HD1  ILE  46          3HD1      ILE  46  -0.509   1.553  -3.769
  118    H    TYR  47           H        TYR  47  -4.754   1.246   0.580
  119    HA   TYR  47           HA       TYR  47  -7.121  -0.125   0.101
  120   1HB   TYR  47          1HB       TYR  47  -6.066   0.494   2.300
  121   2HB   TYR  47          2HB       TYR  47  -6.718   2.121   2.105
  122    HD1  TYR  47           1HD      TYR  47  -7.639  -1.468   2.447
  123    HD2  TYR  47           2HD      TYR  47  -9.015   2.601   2.541
  124    HE1  TYR  47           1HE      TYR  47  -9.810  -2.223   3.377
  125    HE2  TYR  47           2HE      TYR  47 -11.186   1.845   3.472
  126    HH   TYR  47           HH       TYR  47 -11.684  -1.447   4.527
  127    H    GLU  48           H        GLU  48  -6.704   3.427   0.148
  128    HA   GLU  48           HA       GLU  48  -9.408   4.125  -0.437
  129   1HB   GLU  48          2HB       GLU  48  -6.758   5.464  -1.079
  130   2HB   GLU  48          1HB       GLU  48  -8.325   6.269  -1.162
  131   1HG   GLU  48          2HG       GLU  48  -8.688   5.735   1.247
  132   2HG   GLU  48          1HG       GLU  48  -7.073   5.029   1.308
  133    H    THR  49           H        THR  49  -6.661   3.330  -2.561
  134    HA   THR  49           HA       THR  49  -7.966   4.006  -5.044
  135    HB   THR  49           HB       THR  49  -5.750   2.025  -4.419
  136    HG1  THR  49           1HG      THR  49  -4.736   3.766  -3.876
  137   1HG2  THR  49          1HG2      THR  49  -5.544   1.742  -6.643
  138   2HG2  THR  49          2HG2      THR  49  -5.537   3.485  -6.911
  139   3HG2  THR  49          3HG2      THR  49  -7.067   2.611  -6.836
  140    H    TYR  50           H        TYR  50  -7.879   1.107  -3.029
  141    HA   TYR  50           HA       TYR  50  -9.631  -0.297  -5.016
  142   1HB   TYR  50          1HB       TYR  50  -7.829  -1.288  -2.783
  143   2HB   TYR  50          2HB       TYR  50  -8.817  -2.334  -3.801
  144    HD1  TYR  50           1HD      TYR  50  -8.418  -2.357  -6.302
  145    HD2  TYR  50           2HD      TYR  50  -5.735  -0.438  -3.548
  146    HE1  TYR  50           1HE      TYR  50  -6.640  -2.362  -8.031
  147    HE2  TYR  50           2HE      TYR  50  -3.958  -0.443  -5.279
  148    HH   TYR  50           HH       TYR  50  -4.455  -0.790  -8.420
  149    H    GLY  51           H        GLY  51 -10.161   1.668  -2.585
  150   1HA   GLY  51          1HA       GLY  51 -11.740   1.840  -0.850
  151   2HA   GLY  51          2HA       GLY  51 -12.723   0.803  -1.884
  152   1HN   NH2  52          1H        GLY  51  -9.674   0.108  -0.088
  153   2HN   NH2  52          2H        GLY  51 -10.311  -1.203   0.783
  Start of MODEL    3
    1   1H    ACE  33          1H        ACE  33  16.602   1.488   3.790
    2   2H    ACE  33          2H        ACE  33  15.075   1.554   2.910
    3   3H    ACE  33          3H        ACE  33  15.666   0.015   3.540
    4    H    PHE  34           H        PHE  34  14.053   3.006   4.345
    5    HA   PHE  34           HA       PHE  34  13.527   1.920   7.096
    6   1HB   PHE  34          2HB       PHE  34  14.625   4.420   6.128
    7   2HB   PHE  34          1HB       PHE  34  13.151   4.721   7.049
    8    HD1  PHE  34           1HD      PHE  34  16.089   2.381   7.275
    9    HD2  PHE  34           2HD      PHE  34  13.484   5.124   9.313
   10    HE1  PHE  34           1HE      PHE  34  17.327   1.989   9.387
   11    HE2  PHE  34           2HE      PHE  34  14.722   4.730  11.425
   12    HZ   PHE  34           HZ       PHE  34  16.644   3.163  11.461
   13    HA   PRO  35           HA       PRO  35   9.595   2.322   4.619
   14   1HB   PRO  35          2HB       PRO  35   8.390   0.156   5.773
   15   2HB   PRO  35          1HB       PRO  35   9.424   0.034   4.338
   16   1HG   PRO  35          2HG       PRO  35  10.058  -0.536   7.192
   17   2HG   PRO  35          1HG       PRO  35  10.549  -1.410   5.733
   18   1HD   PRO  35          2HD       PRO  35  12.177   0.316   7.076
   19   2HD   PRO  35          1HD       PRO  35  12.312  -0.001   5.335
   20    H    ARG  36           H        ARG  36  10.543   2.175   7.938
   21    HA   ARG  36           HA       ARG  36   8.103   2.520   9.325
   22   1HB   ARG  36          2HB       ARG  36  10.873   3.677   9.771
   23   2HB   ARG  36          1HB       ARG  36   9.597   3.667  10.989
   24   1HG   ARG  36          2HG       ARG  36   9.489   1.184  10.805
   25   2HG   ARG  36          1HG       ARG  36  10.835   1.234   9.666
   26   1HD   ARG  36          2HD       ARG  36  12.203   2.395  11.440
   27   2HD   ARG  36          1HD       ARG  36  10.870   2.110  12.575
   28    HE   ARG  36           HE       ARG  36  11.887  -0.235  11.066
   29   1HH1  ARG  36          1HH2      ARG  36  10.178  -0.310  13.584
   30   2HH1  ARG  36          2HH2      ARG  36  11.352  -0.768  14.773
   31   1HH2  ARG  36          1HH1      ARG  36  14.074  -0.005  12.766
   32   2HH2  ARG  36          2HH1      ARG  36  13.558  -0.596  14.309
   33    H    ILE  37           H        ILE  37   9.985   4.824   7.422
   34    HA   ILE  37           HA       ILE  37   8.860   7.256   8.346
   35    HB   ILE  37           HB       ILE  37   9.609   8.089   6.138
   36   1HG1  ILE  37          2HG1      ILE  37  10.679   5.695   5.022
   37   2HG1  ILE  37          1HG1      ILE  37   8.976   5.399   5.372
   38   1HG2  ILE  37          1HG2      ILE  37  11.516   5.947   7.106
   39   2HG2  ILE  37          2HG2      ILE  37  11.239   7.446   7.992
   40   3HG2  ILE  37          3HG2      ILE  37  11.919   7.497   6.366
   41   1HD1  ILE  37          1HD1      ILE  37   9.199   6.350   3.128
   42   2HD1  ILE  37          2HD1      ILE  37  10.099   7.720   3.774
   43   3HD1  ILE  37          3HD1      ILE  37   8.398   7.510   4.186
   44    H    TRP  38           H        TRP  38   7.634   8.458   6.124
   45    HA   TRP  38           HA       TRP  38   4.907   7.853   6.467
   46   1HB   TRP  38          2HB       TRP  38   4.651   9.162   4.346
   47   2HB   TRP  38          1HB       TRP  38   5.745   9.927   5.497
   48    HD1  TRP  38           HD       TRP  38   8.075  10.504   4.652
   49    HE1  TRP  38           1HE      TRP  38   9.467   9.921   2.564
   50    HE3  TRP  38           3HE      TRP  38   5.008   7.043   2.485
   51    HZ2  TRP  38           2HZ      TRP  38   9.303   8.213   0.275
   52    HZ3  TRP  38           3HZ      TRP  38   5.649   5.956   0.353
   53    HH2  TRP  38           HH       TRP  38   7.791   6.535  -0.754
   54    H    LEU  39           H        LEU  39   7.276   6.101   4.657
   55    HA   LEU  39           HA       LEU  39   5.563   4.899   2.677
   56   1HB   LEU  39          1HB       LEU  39   8.058   4.943   2.659
   57   2HB   LEU  39          2HB       LEU  39   8.066   3.856   4.048
   58    HG   LEU  39           HG       LEU  39   6.605   2.300   2.585
   59   1HD1  LEU  39          1HD1      LEU  39   7.938   3.656   0.272
   60   2HD1  LEU  39          2HD1      LEU  39   6.437   4.342   0.892
   61   3HD1  LEU  39          3HD1      LEU  39   6.469   2.681   0.302
   62   1HD2  LEU  39          1HD2      LEU  39   9.530   2.885   2.148
   63   2HD2  LEU  39          2HD2      LEU  39   8.734   1.564   1.294
   64   3HD2  LEU  39          3HD2      LEU  39   8.796   1.564   3.057
   65    H    HIS  40           H        HIS  40   6.150   4.305   6.078
   66    HA   HIS  40           HA       HIS  40   5.201   1.625   6.301
   67   1HB   HIS  40          1HB       HIS  40   6.396   2.895   8.050
   68   2HB   HIS  40          2HB       HIS  40   5.024   3.993   8.200
   69    HD1  HIS  40           1HD      HIS  40   5.756   0.260   8.523
   70    HD2  HIS  40           2HD      HIS  40   3.136   3.128  10.038
   71    HE1  HIS  40           1HE      HIS  40   4.361  -0.905  10.287
   72    H    ASN  41           H        ASN  41   3.517   4.717   6.052
   73    HA   ASN  41           HA       ASN  41   0.881   3.421   6.510
   74   1HB   ASN  41          2HB       ASN  41   0.096   5.728   6.577
   75   2HB   ASN  41          1HB       ASN  41   1.569   5.617   7.542
   76   1HD2  ASN  41          1HD2      ASN  41   3.112   7.184   7.054
   77   2HD2  ASN  41          2HD2      ASN  41   3.239   8.003   5.572
   78    H    LEU  42           H        LEU  42   2.991   4.255   3.947
   79    HA   LEU  42           HA       LEU  42   1.434   5.107   1.819
   80   1HB   LEU  42          2HB       LEU  42   3.880   4.552   1.844
   81   2HB   LEU  42          1HB       LEU  42   3.454   2.842   1.787
   82    HG   LEU  42           HG       LEU  42   2.144   3.358  -0.331
   83   1HD1  LEU  42          1HD1      LEU  42   2.199   5.889   0.268
   84   2HD1  LEU  42          2HD1      LEU  42   2.413   5.429  -1.421
   85   3HD1  LEU  42          3HD1      LEU  42   3.814   5.865  -0.441
   86   1HD2  LEU  42          1HD2      LEU  42   5.062   4.068  -0.626
   87   2HD2  LEU  42          2HD2      LEU  42   4.053   3.097  -1.699
   88   3HD2  LEU  42          3HD2      LEU  42   4.565   2.447  -0.141
   89    H    GLY  43           H        GLY  43   1.677   1.778   3.058
   90   1HA   GLY  43          2HA       GLY  43   0.134   0.411   1.177
   91   2HA   GLY  43          1HA       GLY  43   0.129   0.009   2.895
   92    H    GLN  44           H        GLN  44  -0.915   2.661   3.661
   93    HA   GLN  44           HA       GLN  44  -3.706   2.121   3.675
   94   1HB   GLN  44          1HB       GLN  44  -2.112   4.686   3.982
   95   2HB   GLN  44          2HB       GLN  44  -3.808   4.515   4.434
   96   1HG   GLN  44          2HG       GLN  44  -3.228   2.748   6.033
   97   2HG   GLN  44          1HG       GLN  44  -1.535   2.842   5.548
   98   1HE2  GLN  44          1HE2      GLN  44  -2.289   3.336   8.255
   99   2HE2  GLN  44          2HE2      GLN  44  -2.035   4.978   8.601
  100    H    HIS  45           H        HIS  45  -1.701   4.019   1.445
  101    HA   HIS  45           HA       HIS  45  -3.643   5.427  -0.009
  102   1HB   HIS  45          2HB       HIS  45  -1.151   5.501  -0.258
  103   2HB   HIS  45          1HB       HIS  45  -1.219   3.939  -1.074
  104    HD1  HIS  45           1HD      HIS  45  -2.882   7.362  -1.451
  105    HD2  HIS  45           2HD      HIS  45  -1.474   4.221  -3.802
  106    HE1  HIS  45           1HE      HIS  45  -3.202   8.072  -3.860
  107    H    ILE  46           H        ILE  46  -2.573   2.045  -0.466
  108    HA   ILE  46           HA       ILE  46  -4.115   1.385  -2.735
  109    HB   ILE  46           HB       ILE  46  -3.451  -0.289  -0.289
  110   1HG1  ILE  46          2HG1      ILE  46  -1.414   0.679  -1.078
  111   2HG1  ILE  46          1HG1      ILE  46  -1.469  -0.942  -1.769
  112   1HG2  ILE  46          1HG2      ILE  46  -4.414  -0.907  -3.060
  113   2HG2  ILE  46          2HG2      ILE  46  -4.860  -1.661  -1.529
  114   3HG2  ILE  46          3HG2      ILE  46  -3.306  -2.034  -2.278
  115   1HD1  ILE  46          1HD1      ILE  46  -0.818   0.683  -3.490
  116   2HD1  ILE  46          2HD1      ILE  46  -2.277   1.623  -3.174
  117   3HD1  ILE  46          3HD1      ILE  46  -2.403   0.006  -3.867
  118    H    TYR  47           H        TYR  47  -5.024   1.206   0.725
  119    HA   TYR  47           HA       TYR  47  -7.590   0.100   0.522
  120   1HB   TYR  47          1HB       TYR  47  -6.303   0.750   2.584
  121   2HB   TYR  47          2HB       TYR  47  -6.720   2.432   2.261
  122    HD1  TYR  47           1HD      TYR  47  -8.113  -0.918   3.059
  123    HD2  TYR  47           2HD      TYR  47  -8.905   3.291   2.737
  124    HE1  TYR  47           1HE      TYR  47 -10.300  -1.244   4.182
  125    HE2  TYR  47           2HE      TYR  47 -11.091   2.966   3.861
  126    HH   TYR  47           HH       TYR  47 -12.522   1.499   4.706
  127    H    GLU  48           H        GLU  48  -6.665   3.539   0.181
  128    HA   GLU  48           HA       GLU  48  -9.326   4.495  -0.380
  129   1HB   GLU  48          2HB       GLU  48  -6.554   5.556  -1.018
  130   2HB   GLU  48          1HB       GLU  48  -8.036   6.502  -1.149
  131   1HG   GLU  48          2HG       GLU  48  -8.479   6.109   1.260
  132   2HG   GLU  48          1HG       GLU  48  -6.968   5.207   1.380
  133    H    THR  49           H        THR  49  -6.663   3.318  -2.410
  134    HA   THR  49           HA       THR  49  -7.778   4.067  -4.951
  135    HB   THR  49           HB       THR  49  -5.950   1.763  -4.195
  136    HG1  THR  49           1HG      THR  49  -4.409   3.199  -4.029
  137   1HG2  THR  49          1HG2      THR  49  -6.979   2.752  -6.706
  138   2HG2  THR  49          2HG2      THR  49  -5.949   1.353  -6.403
  139   3HG2  THR  49          3HG2      THR  49  -5.227   2.943  -6.650
  140    H    TYR  50           H        TYR  50  -8.132   1.194  -2.897
  141    HA   TYR  50           HA       TYR  50 -10.120   0.094  -4.852
  142   1HB   TYR  50          2HB       TYR  50  -8.504  -1.214  -2.638
  143   2HB   TYR  50          1HB       TYR  50  -9.583  -2.060  -3.748
  144    HD1  TYR  50           1HD      TYR  50  -9.096  -1.952  -6.246
  145    HD2  TYR  50           2HD      TYR  50  -6.276  -0.681  -3.264
  146    HE1  TYR  50           1HE      TYR  50  -7.266  -2.107  -7.911
  147    HE2  TYR  50           2HE      TYR  50  -4.445  -0.837  -4.931
  148    HH   TYR  50           HH       TYR  50  -4.076  -0.884  -7.253
  149    H    GLY  51           H        GLY  51 -10.264   2.077  -2.364
  150   1HA   GLY  51          2HA       GLY  51 -11.969   0.709  -0.467
  151   2HA   GLY  51          1HA       GLY  51 -11.752   2.456  -0.581
  152   1HN   NH2  52          1H        GLY  51 -14.204   0.387  -0.604
  153   2HN   NH2  52          2H        GLY  51 -15.204   1.053  -1.802
  Start of MODEL    4
    1   1H    ACE  33          1H        ACE  33   1.378   3.229  14.643
    2   2H    ACE  33          2H        ACE  33   0.981   3.580  12.961
    3   3H    ACE  33          3H        ACE  33   0.320   4.585  14.251
    4    H    PHE  34           H        PHE  34   2.748   4.402  11.955
    5    HA   PHE  34           HA       PHE  34   4.407   6.410  13.449
    6   1HB   PHE  34          2HB       PHE  34   5.035   3.883  12.167
    7   2HB   PHE  34          1HB       PHE  34   5.953   5.197  11.428
    8    HD1  PHE  34           1HD      PHE  34   7.669   6.369  12.642
    9    HD2  PHE  34           2HD      PHE  34   5.195   3.466  14.620
   10    HE1  PHE  34           1HE      PHE  34   9.185   6.413  14.604
   11    HE2  PHE  34           2HE      PHE  34   6.711   3.511  16.582
   12    HZ   PHE  34           HZ       PHE  34   8.707   4.984  16.574
   13    HA   PRO  35           HA       PRO  35   2.706   8.323   9.619
   14   1HB   PRO  35          2HB       PRO  35   2.356  10.815  10.697
   15   2HB   PRO  35          1HB       PRO  35   1.128   9.539  10.799
   16   1HG   PRO  35          2HG       PRO  35   3.111  10.437  12.836
   17   2HG   PRO  35          1HG       PRO  35   1.415   9.973  13.043
   18   1HD   PRO  35          2HD       PRO  35   3.496   8.325  13.634
   19   2HD   PRO  35          1HD       PRO  35   1.906   7.733  13.110
   20    H    ARG  36           H        ARG  36   5.403   8.669  11.631
   21    HA   ARG  36           HA       ARG  36   6.703  10.993  10.617
   22   1HB   ARG  36          2HB       ARG  36   7.733   8.337  11.659
   23   2HB   ARG  36          1HB       ARG  36   8.748   9.760  11.422
   24   1HG   ARG  36          2HG       ARG  36   7.249  11.034  12.964
   25   2HG   ARG  36          1HG       ARG  36   6.343   9.550  13.260
   26   1HD   ARG  36          2HD       ARG  36   8.479   8.474  14.052
   27   2HD   ARG  36          1HD       ARG  36   9.271  10.054  13.903
   28    HE   ARG  36           HE       ARG  36   7.470  10.902  15.497
   29   1HH1  ARG  36          1HH2      ARG  36   5.717   8.575  15.706
   30   2HH1  ARG  36          2HH2      ARG  36   6.298   7.756  17.117
   31   1HH2  ARG  36          1HH1      ARG  36   9.345   9.410  17.150
   32   2HH2  ARG  36          2HH1      ARG  36   8.352   8.227  17.933
   33    H    ILE  37           H        ILE  37   6.414   7.716   9.305
   34    HA   ILE  37           HA       ILE  37   7.981   8.629   6.920
   35    HB   ILE  37           HB       ILE  37   9.294   7.031   8.071
   36   1HG1  ILE  37          2HG1      ILE  37   9.384   5.161   6.555
   37   2HG1  ILE  37          1HG1      ILE  37   7.695   5.380   6.099
   38   1HG2  ILE  37          1HG2      ILE  37   8.077   4.739   8.589
   39   2HG2  ILE  37          2HG2      ILE  37   6.637   5.756   8.602
   40   3HG2  ILE  37          3HG2      ILE  37   7.963   6.089   9.717
   41   1HD1  ILE  37          1HD1      ILE  37   9.636   6.338   4.567
   42   2HD1  ILE  37          2HD1      ILE  37   9.595   7.669   5.725
   43   3HD1  ILE  37          3HD1      ILE  37   8.149   7.257   4.803
   44    H    TRP  38           H        TRP  38   6.802   8.661   5.083
   45    HA   TRP  38           HA       TRP  38   4.069   7.891   4.909
   46   1HB   TRP  38          2HB       TRP  38   4.485   8.251   2.456
   47   2HB   TRP  38          1HB       TRP  38   5.106   9.554   3.468
   48    HD1  TRP  38           HD       TRP  38   7.712   9.848   3.656
   49    HE1  TRP  38           1HE      TRP  38   9.689   8.861   2.329
   50    HE3  TRP  38           3HE      TRP  38   5.313   6.095   1.156
   51    HZ2  TRP  38           2HZ      TRP  38  10.186   6.761   0.450
   52    HZ3  TRP  38           3HZ      TRP  38   6.565   4.623  -0.395
   53    HH2  TRP  38           HH       TRP  38   8.986   4.948  -0.750
   54    H    LEU  39           H        LEU  39   7.010   6.198   3.737
   55    HA   LEU  39           HA       LEU  39   5.827   4.024   2.422
   56   1HB   LEU  39          2HB       LEU  39   8.274   4.607   2.684
   57   2HB   LEU  39          1HB       LEU  39   8.203   3.923   4.307
   58    HG   LEU  39           HG       LEU  39   7.264   2.314   1.943
   59   1HD1  LEU  39          1HD1      LEU  39   9.591   1.327   1.906
   60   2HD1  LEU  39          2HD1      LEU  39  10.111   2.676   2.917
   61   3HD1  LEU  39          3HD1      LEU  39   9.493   2.978   1.293
   62   1HD2  LEU  39          1HD2      LEU  39   7.455   1.933   4.741
   63   2HD2  LEU  39          2HD2      LEU  39   8.704   0.919   4.017
   64   3HD2  LEU  39          3HD2      LEU  39   7.020   0.732   3.526
   65    H    HIS  40           H        HIS  40   5.980   4.725   5.847
   66    HA   HIS  40           HA       HIS  40   5.291   2.088   6.816
   67   1HB   HIS  40          1HB       HIS  40   6.374   3.967   8.084
   68   2HB   HIS  40          2HB       HIS  40   4.845   4.841   8.023
   69    HD1  HIS  40           1HD      HIS  40   6.119   1.430   9.188
   70    HD2  HIS  40           2HD      HIS  40   3.183   4.233  10.141
   71    HE1  HIS  40           1HE      HIS  40   4.957   0.572  11.268
   72    H    ASN  41           H        ASN  41   3.436   4.993   5.948
   73    HA   ASN  41           HA       ASN  41   0.884   3.494   6.393
   74   1HB   ASN  41          2HB       ASN  41  -0.040   5.871   6.163
   75   2HB   ASN  41          1HB       ASN  41   1.004   5.595   7.557
   76   1HD2  ASN  41          1HD2      ASN  41   2.425   7.320   7.817
   77   2HD2  ASN  41          2HD2      ASN  41   3.161   8.182   6.552
   78    H    LEU  42           H        LEU  42   2.993   3.778   3.977
   79    HA   LEU  42           HA       LEU  42   1.604   4.880   1.753
   80   1HB   LEU  42          1HB       LEU  42   4.012   4.250   1.888
   81   2HB   LEU  42          2HB       LEU  42   3.544   2.550   1.888
   82    HG   LEU  42           HG       LEU  42   2.578   2.745  -0.319
   83   1HD1  LEU  42          1HD2      LEU  42   1.549   4.776  -0.605
   84   2HD1  LEU  42          2HD2      LEU  42   3.084   5.188  -1.369
   85   3HD1  LEU  42          3HD2      LEU  42   2.783   5.645   0.307
   86   1HD2  LEU  42          1HD1      LEU  42   4.874   4.282  -1.112
   87   2HD2  LEU  42          2HD1      LEU  42   4.636   2.537  -1.206
   88   3HD2  LEU  42          3HD1      LEU  42   5.317   3.257   0.253
   89    H    GLY  43           H        GLY  43   1.481   1.664   3.233
   90   1HA   GLY  43          2HA       GLY  43  -0.016   0.352   1.190
   91   2HA   GLY  43          1HA       GLY  43   0.004  -0.127   2.886
   92    H    GLN  44           H        GLN  44  -1.003   2.450   3.855
   93    HA   GLN  44           HA       GLN  44  -3.802   1.955   3.832
   94   1HB   GLN  44          2HB       GLN  44  -2.158   4.452   4.351
   95   2HB   GLN  44          1HB       GLN  44  -3.864   4.295   4.768
   96   1HG   GLN  44          2HG       GLN  44  -3.350   2.379   6.218
   97   2HG   GLN  44          1HG       GLN  44  -1.647   2.486   5.774
   98   1HE2  GLN  44          1HE2      GLN  44  -2.366   2.748   8.493
   99   2HE2  GLN  44          2HE2      GLN  44  -2.129   4.356   8.984
  100    H    HIS  45           H        HIS  45  -1.803   4.096   1.819
  101    HA   HIS  45           HA       HIS  45  -3.837   5.527   0.472
  102   1HB   HIS  45          2HB       HIS  45  -1.130   4.489  -0.423
  103   2HB   HIS  45          1HB       HIS  45  -2.055   5.709  -1.300
  104    HD1  HIS  45           1HD      HIS  45  -0.240   5.157   1.968
  105    HD2  HIS  45           2HD      HIS  45  -2.008   8.283  -0.150
  106    HE1  HIS  45           1HE      HIS  45   0.394   7.291   3.177
  107    H    ILE  46           H        ILE  46  -2.552   2.269  -0.127
  108    HA   ILE  46           HA       ILE  46  -3.783   1.790  -2.656
  109    HB   ILE  46           HB       ILE  46  -3.103  -0.052  -0.342
  110   1HG1  ILE  46          1HG1      ILE  46  -1.527   0.642  -2.838
  111   2HG1  ILE  46          2HG1      ILE  46  -1.238   1.362  -1.254
  112   1HG2  ILE  46          1HG2      ILE  46  -4.587  -0.663  -2.598
  113   2HG2  ILE  46          2HG2      ILE  46  -3.669  -1.822  -1.637
  114   3HG2  ILE  46          3HG2      ILE  46  -2.947  -1.101  -3.076
  115   1HD1  ILE  46          1HD1      ILE  46   0.291  -0.404  -1.251
  116   2HD1  ILE  46          2HD1      ILE  46  -0.782  -1.467  -2.162
  117   3HD1  ILE  46          3HD1      ILE  46  -1.100  -1.142  -0.458
  118    H    TYR  47           H        TYR  47  -4.987   1.309   0.669
  119    HA   TYR  47           HA       TYR  47  -7.388  -0.062   0.128
  120   1HB   TYR  47          1HB       TYR  47  -6.403   0.457   2.355
  121   2HB   TYR  47          2HB       TYR  47  -6.851   2.149   2.139
  122    HD1  TYR  47           1HD      TYR  47  -8.172  -1.296   2.536
  123    HD2  TYR  47           2HD      TYR  47  -9.119   2.893   2.413
  124    HE1  TYR  47           1HE      TYR  47 -10.447  -1.785   3.391
  125    HE2  TYR  47           2HE      TYR  47 -11.394   2.403   3.269
  126    HH   TYR  47           HH       TYR  47 -12.262  -0.713   4.498
  127    H    GLU  48           H        GLU  48  -6.823   3.476   0.185
  128    HA   GLU  48           HA       GLU  48  -9.489   4.270  -0.449
  129   1HB   GLU  48          2HB       GLU  48  -6.773   5.501  -1.009
  130   2HB   GLU  48          1HB       GLU  48  -8.299   6.368  -1.189
  131   1HG   GLU  48          2HG       GLU  48  -8.808   5.878   1.210
  132   2HG   GLU  48          1HG       GLU  48  -7.214   5.138   1.365
  133    H    THR  49           H        THR  49  -6.732   3.403  -2.524
  134    HA   THR  49           HA       THR  49  -7.848   4.161  -5.036
  135    HB   THR  49           HB       THR  49  -5.992   1.862  -4.337
  136    HG1  THR  49           1HG      THR  49  -4.992   3.576  -3.537
  137   1HG2  THR  49          1HG2      THR  49  -6.478   1.599  -6.606
  138   2HG2  THR  49          2HG2      THR  49  -5.062   2.650  -6.658
  139   3HG2  THR  49          3HG2      THR  49  -6.675   3.333  -6.865
  140    H    TYR  50           H        TYR  50  -8.142   1.159  -3.143
  141    HA   TYR  50           HA       TYR  50 -10.069   0.107  -5.178
  142   1HB   TYR  50          1HB       TYR  50  -8.503  -1.204  -2.933
  143   2HB   TYR  50          2HB       TYR  50  -9.574  -2.060  -4.043
  144    HD1  TYR  50           1HD      TYR  50  -6.304  -0.525  -3.594
  145    HD2  TYR  50           2HD      TYR  50  -9.045  -2.114  -6.494
  146    HE1  TYR  50           1HE      TYR  50  -4.462  -0.687  -5.247
  147    HE2  TYR  50           2HE      TYR  50  -7.204  -2.276  -8.147
  148    HH   TYR  50           HH       TYR  50  -4.296  -0.711  -7.814
  149    H    GLY  51           H        GLY  51 -10.295   1.998  -2.588
  150   1HA   GLY  51          2HA       GLY  51 -11.975   2.406  -1.002
  151   2HA   GLY  51          1HA       GLY  51 -13.011   1.384  -1.998
  152   1HN   NH2  52          1H        GLY  51 -13.794  -0.363  -0.827
  153   2HN   NH2  52          2H        GLY  51 -12.951  -1.184   0.395
  Start of MODEL    5
    1   1H    ACE  33          1H        ACE  33   0.930   3.673  12.829
    2   2H    ACE  33          2H        ACE  33   0.144   4.847  13.885
    3   3H    ACE  33          3H        ACE  33   1.193   3.606  14.572
    4    H    PHE  34           H        PHE  34   2.562   4.623  11.709
    5    HA   PHE  34           HA       PHE  34   4.216   6.699  13.114
    6   1HB   PHE  34          2HB       PHE  34   4.933   4.143  12.268
    7   2HB   PHE  34          1HB       PHE  34   5.525   5.188  10.976
    8    HD1  PHE  34           1HD      PHE  34   5.599   4.643  14.661
    9    HD2  PHE  34           2HD      PHE  34   7.415   6.596  11.295
   10    HE1  PHE  34           1HE      PHE  34   7.504   5.336  16.090
   11    HE2  PHE  34           2HE      PHE  34   9.320   7.289  12.722
   12    HZ   PHE  34           HZ       PHE  34   9.365   6.659  15.121
   13    HA   PRO  35           HA       PRO  35   2.414   8.403   9.213
   14   1HB   PRO  35          2HB       PRO  35   1.921  10.901  10.213
   15   2HB   PRO  35          1HB       PRO  35   0.761   9.564  10.336
   16   1HG   PRO  35          2HG       PRO  35   2.659  10.629  12.372
   17   2HG   PRO  35          1HG       PRO  35   0.992  10.072  12.570
   18   1HD   PRO  35          2HD       PRO  35   3.164   8.568  13.230
   19   2HD   PRO  35          1HD       PRO  35   1.613   7.871  12.719
   20    H    ARG  36           H        ARG  36   5.061   8.957  11.248
   21    HA   ARG  36           HA       ARG  36   6.259  11.310  10.177
   22   1HB   ARG  36          2HB       ARG  36   7.414   8.740  11.302
   23   2HB   ARG  36          1HB       ARG  36   8.344  10.219  11.063
   24   1HG   ARG  36          2HG       ARG  36   6.747  11.424  12.549
   25   2HG   ARG  36          1HG       ARG  36   5.907   9.900  12.841
   26   1HD   ARG  36          2HD       ARG  36   8.084   8.945  13.693
   27   2HD   ARG  36          1HD       ARG  36   8.779  10.572  13.569
   28    HE   ARG  36           HE       ARG  36   6.234  10.567  14.983
   29   1HH1  ARG  36          1HH2      ARG  36   9.418   9.386  15.388
   30   2HH1  ARG  36          2HH2      ARG  36   9.585   9.970  17.010
   31   1HH2  ARG  36          1HH1      ARG  36   6.520  11.594  17.019
   32   2HH2  ARG  36          2HH1      ARG  36   7.944  11.224  17.932
   33    H    ILE  37           H        ILE  37   6.198   7.970   9.002
   34    HA   ILE  37           HA       ILE  37   7.720   8.873   6.583
   35    HB   ILE  37           HB       ILE  37   9.112   7.383   7.783
   36   1HG1  ILE  37          2HG1      ILE  37   9.261   5.432   6.377
   37   2HG1  ILE  37          1HG1      ILE  37   7.562   5.563   5.926
   38   1HG2  ILE  37          1HG2      ILE  37   7.979   5.070   8.433
   39   2HG2  ILE  37          2HG2      ILE  37   6.514   6.053   8.435
   40   3HG2  ILE  37          3HG2      ILE  37   7.860   6.469   9.496
   41   1HD1  ILE  37          1HD1      ILE  37   7.935   7.451   4.578
   42   2HD1  ILE  37          2HD1      ILE  37   9.376   6.480   4.279
   43   3HD1  ILE  37          3HD1      ILE  37   9.449   7.847   5.391
   44    H    TRP  38           H        TRP  38   6.509   8.800   4.757
   45    HA   TRP  38           HA       TRP  38   3.825   7.868   4.637
   46   1HB   TRP  38          2HB       TRP  38   4.161   8.215   2.193
   47   2HB   TRP  38          1HB       TRP  38   4.815   9.546   3.149
   48    HD1  TRP  38           HD       TRP  38   7.369   9.977   3.065
   49    HE1  TRP  38           1HE      TRP  38   9.317   8.935   1.736
   50    HE3  TRP  38           3HE      TRP  38   5.026   5.864   1.137
   51    HZ2  TRP  38           2HZ      TRP  38   9.814   6.661   0.073
   52    HZ3  TRP  38           3HZ      TRP  38   6.260   4.283  -0.316
   53    HH2  TRP  38           HH       TRP  38   8.648   4.674  -0.849
   54    H    LEU  39           H        LEU  39   6.862   6.282   3.580
   55    HA   LEU  39           HA       LEU  39   5.755   4.024   2.300
   56   1HB   LEU  39          2HB       LEU  39   8.165   4.674   2.419
   57   2HB   LEU  39          1HB       LEU  39   8.190   4.182   4.112
   58    HG   LEU  39           HG       LEU  39   7.299   1.906   3.245
   59   1HD1  LEU  39          1HD1      LEU  39   7.765   1.374   0.946
   60   2HD1  LEU  39          2HD1      LEU  39   8.565   2.925   0.690
   61   3HD1  LEU  39          3HD1      LEU  39   6.821   2.864   0.947
   62   1HD2  LEU  39          1HD2      LEU  39   9.988   2.023   2.159
   63   2HD2  LEU  39          2HD2      LEU  39   9.418   1.239   3.633
   64   3HD2  LEU  39          3HD2      LEU  39   9.879   2.942   3.661
   65    H    HIS  40           H        HIS  40   5.853   4.876   5.674
   66    HA   HIS  40           HA       HIS  40   5.377   2.230   6.759
   67   1HB   HIS  40          2HB       HIS  40   6.338   4.212   7.950
   68   2HB   HIS  40          1HB       HIS  40   4.762   4.998   7.856
   69    HD1  HIS  40           1HD      HIS  40   6.331   1.814   9.245
   70    HD2  HIS  40           2HD      HIS  40   3.034   4.276   9.910
   71    HE1  HIS  40           1HE      HIS  40   5.190   0.935  11.327
   72    H    ASN  41           H        ASN  41   3.271   5.035   6.048
   73    HA   ASN  41           HA       ASN  41   0.869   3.317   6.464
   74   1HB   ASN  41          2HB       ASN  41  -0.268   5.569   6.325
   75   2HB   ASN  41          1HB       ASN  41   0.923   5.453   7.620
   76   1HD2  ASN  41          1HD2      ASN  41   2.611   6.979   7.594
   77   2HD2  ASN  41          2HD2      ASN  41   2.932   8.029   6.299
   78    H    LEU  42           H        LEU  42   2.911   3.835   3.998
   79    HA   LEU  42           HA       LEU  42   1.452   4.802   1.794
   80   1HB   LEU  42          2HB       LEU  42   3.880   4.163   1.936
   81   2HB   LEU  42          1HB       LEU  42   3.391   2.470   1.877
   82    HG   LEU  42           HG       LEU  42   2.206   2.978  -0.295
   83   1HD1  LEU  42          1HD1      LEU  42   1.865   5.196  -0.646
   84   2HD1  LEU  42          2HD1      LEU  42   3.530   5.206  -1.228
   85   3HD1  LEU  42          3HD1      LEU  42   3.176   5.659   0.439
   86   1HD2  LEU  42          1HD2      LEU  42   4.121   2.041  -1.036
   87   2HD2  LEU  42          2HD2      LEU  42   5.064   2.822   0.233
   88   3HD2  LEU  42          3HD2      LEU  42   4.734   3.677  -1.274
   89    H    GLY  43           H        GLY  43   1.492   1.551   3.223
   90   1HA   GLY  43          2HA       GLY  43  -0.045   0.180   1.300
   91   2HA   GLY  43          1HA       GLY  43  -0.054  -0.208   3.021
   92    H    GLN  44           H        GLN  44  -1.072   2.327   3.921
   93    HA   GLN  44           HA       GLN  44  -3.886   1.885   3.747
   94   1HB   GLN  44          2HB       GLN  44  -2.282   4.371   4.435
   95   2HB   GLN  44          1HB       GLN  44  -3.969   4.094   4.870
   96   1HG   GLN  44          2HG       GLN  44  -1.638   2.348   5.721
   97   2HG   GLN  44          1HG       GLN  44  -2.436   3.542   6.744
   98   1HE2  GLN  44          1HE2      GLN  44  -2.344   0.320   6.435
   99   2HE2  GLN  44          2HE2      GLN  44  -3.962  -0.086   6.750
  100    H    HIS  45           H        HIS  45  -1.693   3.957   1.881
  101    HA   HIS  45           HA       HIS  45  -3.546   5.603   0.535
  102   1HB   HIS  45          2HB       HIS  45  -1.065   5.745   0.451
  103   2HB   HIS  45          1HB       HIS  45  -1.027   4.271  -0.517
  104    HD1  HIS  45           1HD      HIS  45  -2.822   7.645  -0.696
  105    HD2  HIS  45           2HD      HIS  45  -1.004   4.858  -3.207
  106    HE1  HIS  45           1HE      HIS  45  -2.960   8.596  -3.039
  107    H    ILE  46           H        ILE  46  -2.447   2.304  -0.292
  108    HA   ILE  46           HA       ILE  46  -3.897   2.021  -2.730
  109    HB   ILE  46           HB       ILE  46  -3.137  -0.021  -0.614
  110   1HG1  ILE  46          2HG1      ILE  46  -1.163   1.171  -1.247
  111   2HG1  ILE  46          1HG1      ILE  46  -1.150  -0.318  -2.191
  112   1HG2  ILE  46          1HG2      ILE  46  -4.688  -0.987  -2.209
  113   2HG2  ILE  46          2HG2      ILE  46  -3.068  -1.562  -2.604
  114   3HG2  ILE  46          3HG2      ILE  46  -3.805  -0.276  -3.560
  115   1HD1  ILE  46          1HD1      ILE  46  -0.681   1.300  -3.819
  116   2HD1  ILE  46          2HD1      ILE  46  -1.769   2.483  -3.094
  117   3HD1  ILE  46          3HD1      ILE  46  -2.426   1.105  -3.978
  118    H    TYR  47           H        TYR  47  -4.840   1.439   0.654
  119    HA   TYR  47           HA       TYR  47  -7.267   0.101   0.387
  120   1HB   TYR  47          1HB       TYR  47  -6.110   0.899   2.477
  121   2HB   TYR  47          2HB       TYR  47  -6.717   2.520   2.137
  122    HD1  TYR  47           1HD      TYR  47  -7.725  -0.972   2.917
  123    HD2  TYR  47           2HD      TYR  47  -8.997   3.115   2.557
  124    HE1  TYR  47           1HE      TYR  47  -9.882  -1.549   3.997
  125    HE2  TYR  47           2HE      TYR  47 -11.155   2.539   3.635
  126    HH   TYR  47           HH       TYR  47 -12.471  -0.141   3.803
  127    H    GLU  48           H        GLU  48  -6.743   3.630   0.106
  128    HA   GLU  48           HA       GLU  48  -9.459   4.307  -0.512
  129   1HB   GLU  48          2HB       GLU  48  -6.797   5.610  -1.179
  130   2HB   GLU  48          1HB       GLU  48  -8.361   6.406  -1.349
  131   1HG   GLU  48          2HG       GLU  48  -8.787   6.027   1.075
  132   2HG   GLU  48          1HG       GLU  48  -7.181   5.313   1.224
  133    H    THR  49           H        THR  49  -6.685   3.407  -2.554
  134    HA   THR  49           HA       THR  49  -7.881   3.975  -5.093
  135    HB   THR  49           HB       THR  49  -5.853   1.859  -4.297
  136    HG1  THR  49           1HG      THR  49  -5.263   4.423  -5.273
  137   1HG2  THR  49          1HG2      THR  49  -5.201   1.791  -6.539
  138   2HG2  THR  49          2HG2      THR  49  -5.930   3.356  -6.901
  139   3HG2  THR  49          3HG2      THR  49  -6.953   1.939  -6.673
  140    H    TYR  50           H        TYR  50  -8.016   1.138  -2.969
  141    HA   TYR  50           HA       TYR  50  -9.871  -0.190  -4.915
  142   1HB   TYR  50          1HB       TYR  50  -8.113  -1.214  -2.664
  143   2HB   TYR  50          2HB       TYR  50  -9.225  -2.235  -3.575
  144    HD1  TYR  50           1HD      TYR  50  -5.991  -0.609  -3.544
  145    HD2  TYR  50           2HD      TYR  50  -8.930  -2.443  -6.087
  146    HE1  TYR  50           1HE      TYR  50  -4.287  -0.873  -5.325
  147    HE2  TYR  50           2HE      TYR  50  -7.224  -2.706  -7.868
  148    HH   TYR  50           HH       TYR  50  -4.178  -1.143  -7.735
  149    H    GLY  51           H        GLY  51 -10.235   1.875  -2.519
  150   1HA   GLY  51          1HA       GLY  51 -11.910   2.280  -0.926
  151   2HA   GLY  51          2HA       GLY  51 -12.861   1.068  -1.785
  152   1HN   NH2  52          1H        GLY  51 -13.587   0.381   0.452
  153   2HN   NH2  52          2H        GLY  51 -12.586  -0.649   1.355
  Start of MODEL    6
    1   1H    ACE  33          1H        ACE  33  16.753   8.422  10.475
    2   2H    ACE  33          2H        ACE  33  16.745   8.821  12.193
    3   3H    ACE  33          3H        ACE  33  15.565   9.561  11.110
    4    H    PHE  34           H        PHE  34  13.615   8.541  10.888
    5    HA   PHE  34           HA       PHE  34  13.396   5.734  11.932
    6   1HB   PHE  34          2HB       PHE  34  12.269   8.135  12.857
    7   2HB   PHE  34          1HB       PHE  34  10.956   7.318  12.009
    8    HD1  PHE  34           1HD      PHE  34   9.601   6.421  13.723
    9    HD2  PHE  34           2HD      PHE  34  13.856   5.848  13.853
   10    HE1  PHE  34           1HE      PHE  34   9.333   4.866  15.636
   11    HE2  PHE  34           2HE      PHE  34  13.588   4.293  15.766
   12    HZ   PHE  34           HZ       PHE  34  11.326   3.801  16.658
   13    HA   PRO  35           HA       PRO  35  12.092   5.889   7.494
   14   1HB   PRO  35          2HB       PRO  35  12.941   3.354   6.911
   15   2HB   PRO  35          1HB       PRO  35  13.996   4.776   6.800
   16   1HG   PRO  35          2HG       PRO  35  13.783   2.728   8.955
   17   2HG   PRO  35          1HG       PRO  35  15.221   3.509   8.282
   18   1HD   PRO  35          2HD       PRO  35  14.097   4.232  10.652
   19   2HD   PRO  35          1HD       PRO  35  14.993   5.362   9.615
   20    H    ARG  36           H        ARG  36  11.509   3.870  10.236
   21    HA   ARG  36           HA       ARG  36   9.633   1.992   9.237
   22   1HB   ARG  36          2HB       ARG  36  10.677   2.063  11.501
   23   2HB   ARG  36          1HB       ARG  36   9.680   3.466  11.892
   24   1HG   ARG  36          2HG       ARG  36   7.644   2.101  11.457
   25   2HG   ARG  36          1HG       ARG  36   8.675   0.698  11.168
   26   1HD   ARG  36          2HD       ARG  36   9.616   0.989  13.489
   27   2HD   ARG  36          1HD       ARG  36   8.409   2.260  13.763
   28    HE   ARG  36           HE       ARG  36   7.558  -0.470  12.872
   29   1HH1  ARG  36          1HH2      ARG  36   6.318   2.366  13.992
   30   2HH1  ARG  36          2HH2      ARG  36   5.485   1.703  15.359
   31   1HH2  ARG  36          1HH1      ARG  36   6.980  -1.414  15.098
   32   2HH2  ARG  36          2HH1      ARG  36   5.860  -0.435  15.985
   33    H    ILE  37           H        ILE  37   9.223   5.398  10.161
   34    HA   ILE  37           HA       ILE  37   6.332   5.410  10.008
   35    HB   ILE  37           HB       ILE  37   6.618   7.771  10.310
   36   1HG1  ILE  37          2HG1      ILE  37   9.262   8.436  10.006
   37   2HG1  ILE  37          1HG1      ILE  37   9.040   7.274   8.699
   38   1HG2  ILE  37          1HG2      ILE  37   7.980   7.822  12.216
   39   2HG2  ILE  37          2HG2      ILE  37   9.169   6.725  11.513
   40   3HG2  ILE  37          3HG2      ILE  37   7.613   6.104  12.064
   41   1HD1  ILE  37          1HD1      ILE  37   7.180   9.616   9.191
   42   2HD1  ILE  37          2HD1      ILE  37   7.196   8.545   7.790
   43   3HD1  ILE  37          3HD1      ILE  37   8.530   9.666   8.058
   44    H    TRP  38           H        TRP  38   8.623   5.007   7.605
   45    HA   TRP  38           HA       TRP  38   7.009   6.446   5.542
   46   1HB   TRP  38          2HB       TRP  38   9.835   5.645   5.953
   47   2HB   TRP  38          1HB       TRP  38   9.249   5.525   4.292
   48    HD1  TRP  38           HD       TRP  38  11.028   7.887   6.192
   49    HE1  TRP  38           1HE      TRP  38  10.498  10.328   5.543
   50    HE3  TRP  38           3HE      TRP  38   6.691   7.179   3.596
   51    HZ2  TRP  38           2HZ      TRP  38   8.494  11.787   4.108
   52    HZ3  TRP  38           3HZ      TRP  38   5.492   9.107   2.600
   53    HH2  TRP  38           HH       TRP  38   6.386  11.406   2.853
   54    H    LEU  39           H        LEU  39   6.525   5.248   3.541
   55    HA   LEU  39           HA       LEU  39   5.860   3.351   2.304
   56   1HB   LEU  39          2HB       LEU  39   7.419   1.775   4.365
   57   2HB   LEU  39          1HB       LEU  39   7.101   1.343   2.689
   58    HG   LEU  39           HG       LEU  39   8.831   3.638   3.657
   59   1HD1  LEU  39          1HD1      LEU  39  10.244   2.007   1.901
   60   2HD1  LEU  39          2HD1      LEU  39   9.325   0.869   2.886
   61   3HD1  LEU  39          3HD1      LEU  39  10.409   2.027   3.657
   62   1HD2  LEU  39          1HD2      LEU  39   7.835   2.841   0.922
   63   2HD2  LEU  39          2HD2      LEU  39   9.311   3.783   1.131
   64   3HD2  LEU  39          3HD2      LEU  39   7.766   4.427   1.689
   65    H    HIS  40           H        HIS  40   5.841   2.628   5.833
   66    HA   HIS  40           HA       HIS  40   3.606   0.860   5.779
   67   1HB   HIS  40          2HB       HIS  40   5.241   1.168   7.625
   68   2HB   HIS  40          1HB       HIS  40   4.568   2.768   7.935
   69    HD1  HIS  40           1HD      HIS  40   3.255  -0.814   7.670
   70    HD2  HIS  40           2HD      HIS  40   2.567   2.687   9.828
   71    HE1  HIS  40           1HE      HIS  40   1.443  -1.355   9.355
   72    H    ASN  41           H        ASN  41   3.757   4.387   6.369
   73    HA   ASN  41           HA       ASN  41   0.902   4.696   6.723
   74   1HB   ASN  41          2HB       ASN  41   3.109   6.641   5.977
   75   2HB   ASN  41          1HB       ASN  41   1.508   7.099   6.559
   76   1HD2  ASN  41          1HD2      ASN  41   4.004   7.703   7.964
   77   2HD2  ASN  41          2HD2      ASN  41   3.955   6.880   9.447
   78    H    LEU  42           H        LEU  42   3.079   4.880   3.936
   79    HA   LEU  42           HA       LEU  42   1.176   6.055   2.106
   80   1HB   LEU  42          1HB       LEU  42   3.586   4.272   1.618
   81   2HB   LEU  42          2HB       LEU  42   2.852   5.367   0.448
   82    HG   LEU  42           HG       LEU  42   4.181   6.152   3.060
   83   1HD1  LEU  42          1HD1      LEU  42   4.987   6.134   0.186
   84   2HD1  LEU  42          2HD1      LEU  42   5.968   5.879   1.629
   85   3HD1  LEU  42          3HD1      LEU  42   5.497   7.512   1.160
   86   1HD2  LEU  42          1HD2      LEU  42   2.742   7.796   0.956
   87   2HD2  LEU  42          2HD2      LEU  42   3.767   8.489   2.213
   88   3HD2  LEU  42          3HD2      LEU  42   2.296   7.622   2.654
   89    H    GLY  43           H        GLY  43   1.748   2.802   3.270
   90   1HA   GLY  43          2HA       GLY  43   0.532   1.317   1.167
   91   2HA   GLY  43          1HA       GLY  43   0.615   0.791   2.849
   92    H    GLN  44           H        GLN  44  -0.851   3.165   3.831
   93    HA   GLN  44           HA       GLN  44  -3.514   2.155   3.760
   94   1HB   GLN  44          2HB       GLN  44  -2.392   4.916   4.339
   95   2HB   GLN  44          1HB       GLN  44  -4.030   4.404   4.746
   96   1HG   GLN  44          2HG       GLN  44  -3.144   2.621   6.177
   97   2HG   GLN  44          1HG       GLN  44  -1.494   3.061   5.732
   98   1HE2  GLN  44          1HE2      GLN  44  -2.314   3.150   8.461
   99   2HE2  GLN  44          2HE2      GLN  44  -2.362   4.771   8.965
  100    H    HIS  45           H        HIS  45  -1.872   4.582   1.750
  101    HA   HIS  45           HA       HIS  45  -4.062   5.748   0.425
  102   1HB   HIS  45          2HB       HIS  45  -1.631   6.336   0.235
  103   2HB   HIS  45          1HB       HIS  45  -1.395   4.897  -0.756
  104    HD1  HIS  45           1HD      HIS  45  -3.717   7.937  -0.761
  105    HD2  HIS  45           2HD      HIS  45  -1.712   5.448  -3.438
  106    HE1  HIS  45           1HE      HIS  45  -4.194   8.844  -3.078
  107    H    ILE  46           H        ILE  46  -2.446   2.636  -0.228
  108    HA   ILE  46           HA       ILE  46  -3.777   1.960  -2.646
  109    HB   ILE  46           HB       ILE  46  -2.741   0.303  -0.326
  110   1HG1  ILE  46          1HG1      ILE  46  -1.533   0.913  -3.038
  111   2HG1  ILE  46          2HG1      ILE  46  -1.125   1.781  -1.558
  112   1HG2  ILE  46          1HG2      ILE  46  -2.809  -0.946  -2.974
  113   2HG2  ILE  46          2HG2      ILE  46  -4.420  -0.582  -2.355
  114   3HG2  ILE  46          3HG2      ILE  46  -3.322  -1.597  -1.417
  115   1HD1  ILE  46          1HD1      ILE  46   0.533   0.044  -1.888
  116   2HD1  ILE  46          2HD1      ILE  46  -0.724  -1.173  -2.109
  117   3HD1  ILE  46          3HD1      ILE  46  -0.487  -0.429  -0.528
  118    H    TYR  47           H        TYR  47  -4.686   1.249   0.745
  119    HA   TYR  47           HA       TYR  47  -6.967  -0.282   0.468
  120   1HB   TYR  47          1HB       TYR  47  -5.962   0.613   2.571
  121   2HB   TYR  47          2HB       TYR  47  -6.645   2.195   2.195
  122    HD1  TYR  47           1HD      TYR  47  -7.487  -1.337   2.982
  123    HD2  TYR  47           2HD      TYR  47  -8.959   2.676   2.567
  124    HE1  TYR  47           1HE      TYR  47  -9.635  -2.017   4.019
  125    HE2  TYR  47           2HE      TYR  47 -11.105   1.998   3.604
  126    HH   TYR  47           HH       TYR  47 -11.505  -0.855   5.297
  127    H    GLU  48           H        GLU  48  -6.904   3.303   0.272
  128    HA   GLU  48           HA       GLU  48  -9.637   3.655  -0.453
  129   1HB   GLU  48          2HB       GLU  48  -7.118   5.229  -1.081
  130   2HB   GLU  48          1HB       GLU  48  -8.750   5.847  -1.329
  131   1HG   GLU  48          2HG       GLU  48  -9.213   5.431   1.101
  132   2HG   GLU  48          1HG       GLU  48  -7.518   4.987   1.306
  133    H    THR  49           H        THR  49  -6.717   3.236  -2.473
  134    HA   THR  49           HA       THR  49  -7.983   3.492  -5.019
  135    HB   THR  49           HB       THR  49  -5.623   1.771  -4.186
  136    HG1  THR  49           1HG      THR  49  -4.427   3.646  -4.573
  137   1HG2  THR  49          1HG2      THR  49  -6.717   1.655  -6.567
  138   2HG2  THR  49          2HG2      THR  49  -4.964   1.785  -6.422
  139   3HG2  THR  49          3HG2      THR  49  -5.926   3.215  -6.801
  140    H    TYR  50           H        TYR  50  -7.477   0.680  -2.895
  141    HA   TYR  50           HA       TYR  50  -9.813  -0.686  -3.870
  142   1HB   TYR  50          2HB       TYR  50  -8.747  -2.379  -5.235
  143   2HB   TYR  50          1HB       TYR  50  -8.237  -0.804  -5.837
  144    HD1  TYR  50           1HD      TYR  50  -7.179  -3.961  -4.459
  145    HD2  TYR  50           2HD      TYR  50  -5.977   0.119  -5.073
  146    HE1  TYR  50           1HE      TYR  50  -4.811  -4.607  -4.110
  147    HE2  TYR  50           2HE      TYR  50  -3.608  -0.529  -4.722
  148    HH   TYR  50           HH       TYR  50  -2.633  -3.215  -3.275
  149    H    GLY  51           H        GLY  51 -10.212  -1.167  -1.695
  150   1HA   GLY  51          1HA       GLY  51  -8.147  -2.375  -0.011
  151   2HA   GLY  51          2HA       GLY  51  -9.826  -2.095   0.449
  152   1HN   NH2  52          1H        GLY  51  -7.586  -4.483  -0.669
  153   2HN   NH2  52          2H        GLY  51  -8.707  -5.733  -0.918
  Start of MODEL    7
    1   1H    ACE  33          1H        ACE  33  -0.788   0.440  13.502
    2   2H    ACE  33          2H        ACE  33  -0.602  -0.486  12.012
    3   3H    ACE  33          3H        ACE  33  -0.449   1.271  11.983
    4    H    PHE  34           H        PHE  34   1.700   1.024  11.059
    5    HA   PHE  34           HA       PHE  34   3.755   0.222  13.094
    6   1HB   PHE  34          2HB       PHE  34   3.509  -0.315  10.135
    7   2HB   PHE  34          1HB       PHE  34   5.080  -0.364  10.930
    8    HD1  PHE  34           1HD      PHE  34   4.764  -1.592  13.438
    9    HD2  PHE  34           2HD      PHE  34   2.606  -2.431   9.819
   10    HE1  PHE  34           1HE      PHE  34   4.275  -3.880  14.259
   11    HE2  PHE  34           2HE      PHE  34   2.116  -4.719  10.642
   12    HZ   PHE  34           HZ       PHE  34   2.951  -5.443  12.862
   13    HA   PRO  35           HA       PRO  35   4.310   4.622  11.784
   14   1HB   PRO  35          2HB       PRO  35   5.123   5.517  14.239
   15   2HB   PRO  35          1HB       PRO  35   3.417   5.430  13.758
   16   1HG   PRO  35          2HG       PRO  35   5.016   3.558  15.438
   17   2HG   PRO  35          1HG       PRO  35   3.347   4.110  15.644
   18   1HD   PRO  35          2HD       PRO  35   4.003   1.680  14.608
   19   2HD   PRO  35          1HD       PRO  35   2.520   2.554  14.176
   20    H    ARG  36           H        ARG  36   6.203   2.076  12.993
   21    HA   ARG  36           HA       ARG  36   8.752   3.345  13.348
   22   1HB   ARG  36          2HB       ARG  36   7.921   0.550  12.512
   23   2HB   ARG  36          1HB       ARG  36   9.550   0.990  13.023
   24   1HG   ARG  36          2HG       ARG  36   8.649   1.746  15.204
   25   2HG   ARG  36          1HG       ARG  36   7.030   1.268  14.691
   26   1HD   ARG  36          2HD       ARG  36   9.426  -0.581  14.997
   27   2HD   ARG  36          1HD       ARG  36   7.991  -0.537  16.039
   28    HE   ARG  36           HE       ARG  36   6.965  -0.835  13.471
   29   1HH1  ARG  36          1HH2      ARG  36   8.656  -2.606  15.848
   30   2HH1  ARG  36          2HH2      ARG  36   8.621  -4.100  14.974
   31   1HH2  ARG  36          1HH1      ARG  36   7.168  -2.719  12.146
   32   2HH2  ARG  36          2HH1      ARG  36   7.778  -4.166  12.878
   33    H    ILE  37           H        ILE  37   6.986   2.334  10.475
   34    HA   ILE  37           HA       ILE  37   9.343   3.162   8.821
   35    HB   ILE  37           HB       ILE  37   9.126   0.839   8.535
   36   1HG1  ILE  37          2HG1      ILE  37   8.367   0.544   6.272
   37   2HG1  ILE  37          1HG1      ILE  37   7.281   1.929   6.395
   38   1HG2  ILE  37          1HG2      ILE  37   7.192   0.223   9.673
   39   2HG2  ILE  37          2HG2      ILE  37   6.714  -0.068   8.001
   40   3HG2  ILE  37          3HG2      ILE  37   6.191   1.402   8.824
   41   1HD1  ILE  37          1HD1      ILE  37   9.442   2.416   5.178
   42   2HD1  ILE  37          2HD1      ILE  37  10.292   2.121   6.695
   43   3HD1  ILE  37          3HD1      ILE  37   9.149   3.457   6.571
   44    H    TRP  38           H        TRP  38   8.896   5.067   7.839
   45    HA   TRP  38           HA       TRP  38   6.378   6.327   7.630
   46   1HB   TRP  38          1HB       TRP  38   7.565   7.774   6.015
   47   2HB   TRP  38          2HB       TRP  38   8.596   7.394   7.396
   48    HD1  TRP  38           HD       TRP  38  10.794   6.119   6.952
   49    HE1  TRP  38           1HE      TRP  38  11.946   5.192   4.841
   50    HE3  TRP  38           3HE      TRP  38   7.013   6.680   3.564
   51    HZ2  TRP  38           2HZ      TRP  38  11.345   4.748   2.079
   52    HZ3  TRP  38           3HZ      TRP  38   7.330   6.000   1.203
   53    HH2  TRP  38           HH       TRP  38   9.488   5.036   0.456
   54    H    LEU  39           H        LEU  39   8.062   4.242   5.269
   55    HA   LEU  39           HA       LEU  39   6.239   4.560   3.101
   56   1HB   LEU  39          2HB       LEU  39   8.509   3.553   3.019
   57   2HB   LEU  39          1HB       LEU  39   7.911   2.165   3.927
   58    HG   LEU  39           HG       LEU  39   6.140   2.616   1.727
   59   1HD1  LEU  39          1HD2      LEU  39   9.075   2.817   1.112
   60   2HD1  LEU  39          2HD2      LEU  39   7.724   3.693   0.391
   61   3HD1  LEU  39          3HD2      LEU  39   8.003   2.003  -0.027
   62   1HD2  LEU  39          1HD1      LEU  39   6.251   0.360   1.734
   63   2HD2  LEU  39          2HD1      LEU  39   7.370   0.510   3.090
   64   3HD2  LEU  39          3HD1      LEU  39   7.990   0.381   1.444
   65    H    HIS  40           H        HIS  40   5.777   3.014   6.130
   66    HA   HIS  40           HA       HIS  40   3.900   0.978   5.231
   67   1HB   HIS  40          2HB       HIS  40   5.149   0.769   7.313
   68   2HB   HIS  40          1HB       HIS  40   4.460   2.276   7.916
   69    HD1  HIS  40           1HD      HIS  40   3.214  -1.110   6.655
   70    HD2  HIS  40           2HD      HIS  40   2.119   1.881   9.345
   71    HE1  HIS  40           1HE      HIS  40   1.133  -1.937   7.837
   72    H    ASN  41           H        ASN  41   3.713   4.373   6.047
   73    HA   ASN  41           HA       ASN  41   0.812   4.402   6.448
   74   1HB   ASN  41          2HB       ASN  41   2.604   6.735   5.743
   75   2HB   ASN  41          1HB       ASN  41   1.162   6.735   6.759
   76   1HD2  ASN  41          1HD2      ASN  41   4.602   6.396   6.787
   77   2HD2  ASN  41          2HD2      ASN  41   4.763   5.947   8.417
   78    H    LEU  42           H        LEU  42   2.974   4.410   3.767
   79    HA   LEU  42           HA       LEU  42   1.290   5.797   1.851
   80   1HB   LEU  42          1HB       LEU  42   3.702   3.992   1.827
   81   2HB   LEU  42          2HB       LEU  42   2.899   4.384   0.307
   82    HG   LEU  42           HG       LEU  42   3.081   6.833   0.980
   83   1HD1  LEU  42          1HD2      LEU  42   3.507   6.878   3.269
   84   2HD1  LEU  42          2HD2      LEU  42   5.136   7.074   2.623
   85   3HD1  LEU  42          3HD2      LEU  42   4.600   5.495   3.196
   86   1HD2  LEU  42          1HD1      LEU  42   5.684   6.771   0.592
   87   2HD2  LEU  42          2HD1      LEU  42   4.599   6.211  -0.682
   88   3HD2  LEU  42          3HD1      LEU  42   5.413   5.044   0.360
   89    H    GLY  43           H        GLY  43   1.665   2.474   2.963
   90   1HA   GLY  43          2HA       GLY  43   0.218   1.117   0.943
   91   2HA   GLY  43          1HA       GLY  43   0.313   0.586   2.623
   92    H    GLN  44           H        GLN  44  -0.937   2.786   3.870
   93    HA   GLN  44           HA       GLN  44  -3.663   2.147   3.804
   94   1HB   GLN  44          2HB       GLN  44  -2.262   4.784   4.360
   95   2HB   GLN  44          1HB       GLN  44  -3.928   4.431   4.820
   96   1HG   GLN  44          2HG       GLN  44  -3.158   2.535   6.190
   97   2HG   GLN  44          1HG       GLN  44  -1.492   2.858   5.714
   98   1HE2  GLN  44          1HE2      GLN  44  -2.182   2.942   8.454
   99   2HE2  GLN  44          2HE2      GLN  44  -2.119   4.548   9.000
  100    H    HIS  45           H        HIS  45  -1.903   4.553   1.847
  101    HA   HIS  45           HA       HIS  45  -4.067   5.802   0.542
  102   1HB   HIS  45          2HB       HIS  45  -1.625   6.366   0.408
  103   2HB   HIS  45          1HB       HIS  45  -1.395   4.961  -0.633
  104    HD1  HIS  45           1HD      HIS  45  -3.652   8.043  -0.547
  105    HD2  HIS  45           2HD      HIS  45  -1.693   5.600  -3.299
  106    HE1  HIS  45           1HE      HIS  45  -4.090   9.043  -2.832
  107    H    ILE  46           H        ILE  46  -2.538   2.661  -0.067
  108    HA   ILE  46           HA       ILE  46  -3.828   2.047  -2.548
  109    HB   ILE  46           HB       ILE  46  -2.814   0.346  -0.246
  110   1HG1  ILE  46          1HG1      ILE  46  -1.563   0.981  -2.932
  111   2HG1  ILE  46          2HG1      ILE  46  -1.184   1.851  -1.445
  112   1HG2  ILE  46          1HG2      ILE  46  -2.769  -0.937  -2.836
  113   2HG2  ILE  46          2HG2      ILE  46  -4.414  -0.447  -2.430
  114   3HG2  ILE  46          3HG2      ILE  46  -3.512  -1.495  -1.337
  115   1HD1  ILE  46          1HD1      ILE  46  -0.171  -0.027  -0.460
  116   2HD1  ILE  46          2HD1      ILE  46   0.329  -0.165  -2.145
  117   3HD1  ILE  46          3HD1      ILE  46  -0.997  -1.154  -1.534
  118    H    TYR  47           H        TYR  47  -4.754   1.420   0.844
  119    HA   TYR  47           HA       TYR  47  -7.040  -0.121   0.611
  120   1HB   TYR  47          1HB       TYR  47  -6.027   0.849   2.683
  121   2HB   TYR  47          2HB       TYR  47  -6.706   2.418   2.247
  122    HD1  TYR  47           1HD      TYR  47  -7.524  -1.054   3.241
  123    HD2  TYR  47           2HD      TYR  47  -9.046   2.898   2.527
  124    HE1  TYR  47           1HE      TYR  47  -9.674  -1.692   4.299
  125    HE2  TYR  47           2HE      TYR  47 -11.198   2.261   3.585
  126    HH   TYR  47           HH       TYR  47 -12.084  -0.916   4.179
  127    H    GLU  48           H        GLU  48  -6.848   3.422   0.149
  128    HA   GLU  48           HA       GLU  48  -9.613   3.790  -0.552
  129   1HB   GLU  48          2HB       GLU  48  -7.075   5.334  -1.175
  130   2HB   GLU  48          1HB       GLU  48  -8.701   5.961  -1.442
  131   1HG   GLU  48          2HG       GLU  48  -9.195   5.637   0.974
  132   2HG   GLU  48          1HG       GLU  48  -7.539   5.084   1.221
  133    H    THR  49           H        THR  49  -6.744   2.886  -2.393
  134    HA   THR  49           HA       THR  49  -7.746   3.349  -5.033
  135    HB   THR  49           HB       THR  49  -5.811   1.269  -3.955
  136    HG1  THR  49           1HG      THR  49  -4.992   3.620  -5.182
  137   1HG2  THR  49          1HG2      THR  49  -5.024   2.135  -6.498
  138   2HG2  THR  49          2HG2      THR  49  -6.765   1.883  -6.628
  139   3HG2  THR  49          3HG2      THR  49  -5.720   0.568  -6.090
  140    H    TYR  50           H        TYR  50  -7.828   0.442  -2.954
  141    HA   TYR  50           HA       TYR  50  -9.897  -0.715  -4.796
  142   1HB   TYR  50          2HB       TYR  50  -9.010  -2.870  -4.148
  143   2HB   TYR  50          1HB       TYR  50  -7.636  -1.845  -4.566
  144    HD1  TYR  50           1HD      TYR  50  -6.164  -0.936  -2.826
  145    HD2  TYR  50           2HD      TYR  50  -9.466  -3.497  -1.837
  146    HE1  TYR  50           1HE      TYR  50  -5.231  -1.260  -0.550
  147    HE2  TYR  50           2HE      TYR  50  -8.534  -3.821   0.438
  148    HH   TYR  50           HH       TYR  50  -6.532  -3.628   1.649
  149    H    GLY  51           H        GLY  51 -10.187   1.121  -2.365
  150   1HA   GLY  51          2HA       GLY  51 -11.584   1.279  -0.484
  151   2HA   GLY  51          1HA       GLY  51 -12.521  -0.010  -1.239
  152   1HN   NH2  52          1H        GLY  51 -12.759  -0.717   1.143
  153   2HN   NH2  52          2H        GLY  51 -11.537  -1.700   1.793
  Start of MODEL    8
    1   1H    ACE  33          1H        ACE  33  -0.979   1.202  12.938
    2   2H    ACE  33          2H        ACE  33  -0.617   2.304  11.609
    3   3H    ACE  33          3H        ACE  33  -0.983   2.944  13.212
    4    H    PHE  34           H        PHE  34   1.522   2.251  11.134
    5    HA   PHE  34           HA       PHE  34   3.475   2.016  13.400
    6   1HB   PHE  34          2HB       PHE  34   3.261   0.738  10.689
    7   2HB   PHE  34          1HB       PHE  34   4.859   0.977  11.395
    8    HD1  PHE  34           1HD      PHE  34   4.531   0.537  14.215
    9    HD2  PHE  34           2HD      PHE  34   2.633  -1.499  10.945
   10    HE1  PHE  34           1HE      PHE  34   4.198  -1.460  15.651
   11    HE2  PHE  34           2HE      PHE  34   2.299  -3.494  12.379
   12    HZ   PHE  34           HZ       PHE  34   3.082  -3.474  14.731
   13    HA   PRO  35           HA       PRO  35   4.201   5.989  11.177
   14   1HB   PRO  35          2HB       PRO  35   5.076   7.352  13.381
   15   2HB   PRO  35          1HB       PRO  35   3.361   7.224  12.945
   16   1HG   PRO  35          2HG       PRO  35   4.929   5.699  14.969
   17   2HG   PRO  35          1HG       PRO  35   3.281   6.335  15.068
   18   1HD   PRO  35          2HD       PRO  35   3.852   3.719  14.565
   19   2HD   PRO  35          1HD       PRO  35   2.386   4.529  13.977
   20    H    ARG  36           H        ARG  36   6.013   3.698  12.904
   21    HA   ARG  36           HA       ARG  36   8.601   4.838  13.081
   22   1HB   ARG  36          2HB       ARG  36   7.600   2.028  12.545
   23   2HB   ARG  36          1HB       ARG  36   9.279   2.402  12.936
   24   1HG   ARG  36          2HG       ARG  36   8.456   3.529  15.035
   25   2HG   ARG  36          1HG       ARG  36   6.842   2.924  14.663
   26   1HD   ARG  36          2HD       ARG  36   7.825   0.588  14.612
   27   2HD   ARG  36          1HD       ARG  36   9.333   1.284  15.234
   28    HE   ARG  36           HE       ARG  36   8.257   1.469  17.332
   29   1HH1  ARG  36          1HH1      ARG  36   6.143  -0.473  16.258
   30   2HH1  ARG  36          2HH1      ARG  36   4.689   0.389  16.634
   31   1HH2  ARG  36          1HH2      ARG  36   6.303   3.409  17.176
   32   2HH2  ARG  36          2HH2      ARG  36   4.779   2.586  17.152
   33    H    ILE  37           H        ILE  37   6.917   3.399  10.297
   34    HA   ILE  37           HA       ILE  37   9.244   4.228   8.607
   35    HB   ILE  37           HB       ILE  37   9.338   1.883   8.687
   36   1HG1  ILE  37          2HG1      ILE  37   8.788   1.152   6.481
   37   2HG1  ILE  37          1HG1      ILE  37   7.483   2.324   6.343
   38   1HG2  ILE  37          1HG2      ILE  37   6.384   2.134   8.925
   39   2HG2  ILE  37          2HG2      ILE  37   7.498   1.069   9.783
   40   3HG2  ILE  37          3HG2      ILE  37   6.997   0.680   8.137
   41   1HD1  ILE  37          1HD1      ILE  37   9.392   3.148   5.086
   42   2HD1  ILE  37          2HD1      ILE  37  10.450   2.924   6.479
   43   3HD1  ILE  37          3HD1      ILE  37   9.193   4.158   6.517
   44    H    TRP  38           H        TRP  38   8.602   5.930   7.403
   45    HA   TRP  38           HA       TRP  38   6.032   6.888   6.914
   46   1HB   TRP  38          2HB       TRP  38   7.095   8.119   5.091
   47   2HB   TRP  38          1HB       TRP  38   8.228   7.987   6.437
   48    HD1  TRP  38           HD       TRP  38  10.469   6.799   6.008
   49    HE1  TRP  38           1HE      TRP  38  11.522   5.591   3.988
   50    HE3  TRP  38           3HE      TRP  38   6.420   6.574   2.900
   51    HZ2  TRP  38           2HZ      TRP  38  10.750   4.655   1.398
   52    HZ3  TRP  38           3HZ      TRP  38   6.609   5.520   0.665
   53    HH2  TRP  38           HH       TRP  38   8.768   4.561  -0.086
   54    H    LEU  39           H        LEU  39   7.829   4.454   5.042
   55    HA   LEU  39           HA       LEU  39   6.068   4.199   2.831
   56   1HB   LEU  39          2HB       LEU  39   8.382   3.227   3.207
   57   2HB   LEU  39          1HB       LEU  39   7.627   2.007   4.233
   58    HG   LEU  39           HG       LEU  39   6.520   2.450   1.483
   59   1HD1  LEU  39          1HD1      LEU  39   9.030   2.269   1.274
   60   2HD1  LEU  39          2HD1      LEU  39   8.146   0.958   0.493
   61   3HD1  LEU  39          3HD1      LEU  39   8.922   0.691   2.053
   62   1HD2  LEU  39          1HD2      LEU  39   6.309  -0.100   1.761
   63   2HD2  LEU  39          2HD2      LEU  39   5.310   0.897   2.816
   64   3HD2  LEU  39          3HD2      LEU  39   6.786   0.163   3.439
   65    H    HIS  40           H        HIS  40   5.817   3.007   6.125
   66    HA   HIS  40           HA       HIS  40   3.824   0.989   5.713
   67   1HB   HIS  40          2HB       HIS  40   5.218   1.265   7.733
   68   2HB   HIS  40          1HB       HIS  40   4.416   2.798   8.084
   69    HD1  HIS  40           1HD      HIS  40   1.915   2.688   8.854
   70    HD2  HIS  40           2HD      HIS  40   3.672  -1.050   8.297
   71    HE1  HIS  40           1HE      HIS  40   0.322   0.991   9.853
   72    H    ASN  41           H        ASN  41   3.638   4.486   6.233
   73    HA   ASN  41           HA       ASN  41   0.717   4.505   6.446
   74   1HB   ASN  41          2HB       ASN  41   2.564   6.822   5.828
   75   2HB   ASN  41          1HB       ASN  41   1.033   6.858   6.700
   76   1HD2  ASN  41          1HD2      ASN  41   4.461   5.956   6.974
   77   2HD2  ASN  41          2HD2      ASN  41   4.465   5.785   8.662
   78    H    LEU  42           H        LEU  42   3.052   4.452   3.921
   79    HA   LEU  42           HA       LEU  42   1.485   5.786   1.863
   80   1HB   LEU  42          2HB       LEU  42   3.976   5.495   1.913
   81   2HB   LEU  42          1HB       LEU  42   3.743   3.763   1.680
   82    HG   LEU  42           HG       LEU  42   2.748   4.101  -0.479
   83   1HD1  LEU  42          1HD2      LEU  42   1.350   5.943  -0.381
   84   2HD1  LEU  42          2HD2      LEU  42   2.719   6.661  -1.231
   85   3HD1  LEU  42          3HD2      LEU  42   2.524   6.918   0.503
   86   1HD2  LEU  42          1HD1      LEU  42   4.596   4.948  -1.675
   87   2HD2  LEU  42          2HD1      LEU  42   5.302   4.433  -0.143
   88   3HD2  LEU  42          3HD1      LEU  42   4.968   6.142  -0.430
   89    H    GLY  43           H        GLY  43   1.633   2.564   3.218
   90   1HA   GLY  43          2HA       GLY  43   0.397   1.175   1.007
   91   2HA   GLY  43          1HA       GLY  43   0.487   0.584   2.667
   92    H    GLN  44           H        GLN  44  -0.794   3.052   3.714
   93    HA   GLN  44           HA       GLN  44  -3.509   2.217   3.781
   94   1HB   GLN  44          2HB       GLN  44  -2.158   4.900   4.222
   95   2HB   GLN  44          1HB       GLN  44  -3.824   4.556   4.685
   96   1HG   GLN  44          2HG       GLN  44  -3.048   2.723   6.138
   97   2HG   GLN  44          1HG       GLN  44  -1.380   3.051   5.667
   98   1HE2  GLN  44          1HE2      GLN  44  -2.118   3.251   8.397
   99   2HE2  GLN  44          2HE2      GLN  44  -2.080   4.881   8.866
  100    H    HIS  45           H        HIS  45  -1.775   4.336   1.560
  101    HA   HIS  45           HA       HIS  45  -3.971   5.632   0.298
  102   1HB   HIS  45          2HB       HIS  45  -1.581   6.209   0.047
  103   2HB   HIS  45          1HB       HIS  45  -1.304   4.690  -0.807
  104    HD1  HIS  45           1HD      HIS  45  -3.654   7.690  -1.156
  105    HD2  HIS  45           2HD      HIS  45  -1.527   5.006  -3.532
  106    HE1  HIS  45           1HE      HIS  45  -4.053   8.389  -3.557
  107    H    ILE  46           H        ILE  46  -2.462   2.462  -0.325
  108    HA   ILE  46           HA       ILE  46  -3.868   1.828  -2.727
  109    HB   ILE  46           HB       ILE  46  -2.859   0.043  -0.486
  110   1HG1  ILE  46          2HG1      ILE  46  -1.052   1.443  -1.205
  111   2HG1  ILE  46          1HG1      ILE  46  -0.837  -0.097  -2.037
  112   1HG2  ILE  46          1HG2      ILE  46  -3.260  -0.544  -3.436
  113   2HG2  ILE  46          2HG2      ILE  46  -4.364  -1.059  -2.160
  114   3HG2  ILE  46          3HG2      ILE  46  -2.714  -1.681  -2.202
  115   1HD1  ILE  46          1HD1      ILE  46  -1.664   2.554  -3.134
  116   2HD1  ILE  46          2HD1      ILE  46  -2.373   1.114  -3.864
  117   3HD1  ILE  46          3HD1      ILE  46  -0.622   1.322  -3.845
  118    H    TYR  47           H        TYR  47  -4.736   1.395   0.695
  119    HA   TYR  47           HA       TYR  47  -7.004  -0.258   0.447
  120   1HB   TYR  47          1HB       TYR  47  -5.904   0.522   2.541
  121   2HB   TYR  47          2HB       TYR  47  -6.564   2.135   2.265
  122    HD1  TYR  47           1HD      TYR  47  -8.869   2.640   2.706
  123    HD2  TYR  47           2HD      TYR  47  -7.436  -1.400   2.982
  124    HE1  TYR  47           1HE      TYR  47 -10.989   1.962   3.803
  125    HE2  TYR  47           2HE      TYR  47  -9.555  -2.077   4.078
  126    HH   TYR  47           HH       TYR  47 -11.372  -1.107   5.318
  127    H    GLU  48           H        GLU  48  -6.833   3.312   0.235
  128    HA   GLU  48           HA       GLU  48  -9.636   3.716  -0.263
  129   1HB   GLU  48          2HB       GLU  48  -7.149   5.326  -0.927
  130   2HB   GLU  48          1HB       GLU  48  -8.794   5.955  -1.032
  131   1HG   GLU  48          2HG       GLU  48  -9.119   5.421   1.380
  132   2HG   GLU  48          1HG       GLU  48  -7.441   4.887   1.465
  133    H    THR  49           H        THR  49  -6.849   3.222  -2.432
  134    HA   THR  49           HA       THR  49  -8.219   3.766  -4.894
  135    HB   THR  49           HB       THR  49  -5.902   1.893  -4.316
  136    HG1  THR  49           1HG      THR  49  -4.655   3.766  -4.667
  137   1HG2  THR  49          1HG2      THR  49  -6.041   1.552  -6.545
  138   2HG2  THR  49          2HG2      THR  49  -5.482   3.215  -6.720
  139   3HG2  THR  49          3HG2      THR  49  -7.208   2.859  -6.746
  140    H    TYR  50           H        TYR  50  -7.782   0.782  -3.001
  141    HA   TYR  50           HA       TYR  50  -9.619  -0.625  -4.906
  142   1HB   TYR  50          2HB       TYR  50  -7.629  -1.682  -2.871
  143   2HB   TYR  50          1HB       TYR  50  -8.540  -2.658  -4.022
  144    HD1  TYR  50           1HD      TYR  50  -8.191  -2.265  -6.511
  145    HD2  TYR  50           2HD      TYR  50  -5.618  -0.593  -3.505
  146    HE1  TYR  50           1HE      TYR  50  -6.444  -1.869  -8.227
  147    HE2  TYR  50           2HE      TYR  50  -3.871  -0.198  -5.221
  148    HH   TYR  50           HH       TYR  50  -4.074   0.148  -8.001
  149    H    GLY  51           H        GLY  51 -10.101   1.157  -2.356
  150   1HA   GLY  51          2HA       GLY  51 -11.951  -0.796  -1.050
  151   2HA   GLY  51          1HA       GLY  51 -11.030   0.371  -0.100
  152   1HN   NH2  52          1H        GLY  51 -12.020   2.374   0.251
  153   2HN   NH2  52          2H        GLY  51 -13.376   2.943  -0.596
  Start of MODEL    9
    1   1H    ACE  33          1H        ACE  33  12.860  15.851   8.071
    2   2H    ACE  33          2H        ACE  33  12.042  15.260   6.624
    3   3H    ACE  33          3H        ACE  33  13.685  14.731   6.986
    4    H    PHE  34           H        PHE  34  10.521  13.767   7.115
    5    HA   PHE  34           HA       PHE  34  11.084  11.853   9.359
    6   1HB   PHE  34          2HB       PHE  34   8.832  13.658   8.718
    7   2HB   PHE  34          1HB       PHE  34   8.352  12.027   9.187
    8    HD1  PHE  34           1HD      PHE  34  10.997  14.486  10.240
    9    HD2  PHE  34           2HD      PHE  34   7.881  11.788  11.449
   10    HE1  PHE  34           1HE      PHE  34  11.439  15.042  12.616
   11    HE2  PHE  34           2HE      PHE  34   8.323  12.343  13.826
   12    HZ   PHE  34           HZ       PHE  34  10.103  13.970  14.408
   13    HA   PRO  35           HA       PRO  35  10.540   9.590   5.330
   14   1HB   PRO  35          2HB       PRO  35  12.037   7.441   6.126
   15   2HB   PRO  35          1HB       PRO  35  12.740   8.883   5.368
   16   1HG   PRO  35          2HG       PRO  35  12.612   8.117   8.247
   17   2HG   PRO  35          1HG       PRO  35  13.935   8.862   7.338
   18   1HD   PRO  35          2HD       PRO  35  12.277  10.264   8.973
   19   2HD   PRO  35          1HD       PRO  35  13.055  10.972   7.543
   20    H    ARG  36           H        ARG  36  10.055   8.887   8.711
   21    HA   ARG  36           HA       ARG  36   8.806   6.350   8.621
   22   1HB   ARG  36          2HB       ARG  36   8.294   8.811  10.320
   23   2HB   ARG  36          1HB       ARG  36   7.688   7.201  10.707
   24   1HG   ARG  36          2HG       ARG  36  10.040   6.358  10.687
   25   2HG   ARG  36          1HG       ARG  36  10.598   8.010  10.423
   26   1HD   ARG  36          2HD       ARG  36   9.436   8.682  12.555
   27   2HD   ARG  36          1HD       ARG  36   9.074   6.968  12.838
   28    HE   ARG  36           HE       ARG  36  11.595   6.601  12.686
   29   1HH1  ARG  36          1HH1      ARG  36  12.184   9.469  11.874
   30   2HH1  ARG  36          2HH1      ARG  36  12.732  10.142  13.374
   31   1HH2  ARG  36          1HH2      ARG  36  11.466   7.554  15.303
   32   2HH2  ARG  36          2HH2      ARG  36  12.326   9.057  15.314
   33    H    ILE  37           H        ILE  37   7.424   9.587   8.040
   34    HA   ILE  37           HA       ILE  37   4.687   8.879   7.872
   35    HB   ILE  37           HB       ILE  37   5.738  11.167   7.881
   36   1HG1  ILE  37          2HG1      ILE  37   3.350  10.726   7.176
   37   2HG1  ILE  37          1HG1      ILE  37   4.052  12.194   6.501
   38   1HG2  ILE  37          1HG2      ILE  37   6.089  10.936   4.914
   39   2HG2  ILE  37          2HG2      ILE  37   7.357  10.314   5.966
   40   3HG2  ILE  37          3HG2      ILE  37   6.892  12.012   6.058
   41   1HD1  ILE  37          1HD1      ILE  37   3.111   9.778   5.132
   42   2HD1  ILE  37          2HD1      ILE  37   4.730  10.263   4.627
   43   3HD1  ILE  37          3HD1      ILE  37   3.386  11.397   4.489
   44    H    TRP  38           H        TRP  38   7.309   8.410   5.572
   45    HA   TRP  38           HA       TRP  38   5.384   7.542   3.478
   46   1HB   TRP  38          2HB       TRP  38   8.222   8.439   3.661
   47   2HB   TRP  38          1HB       TRP  38   7.810   7.340   2.340
   48    HD1  TRP  38           HD       TRP  38   7.967  10.877   2.971
   49    HE1  TRP  38           1HE      TRP  38   6.377  12.203   1.431
   50    HE3  TRP  38           3HE      TRP  38   5.041   7.069   1.260
   51    HZ2  TRP  38           2HZ      TRP  38   4.147  11.708  -0.297
   52    HZ3  TRP  38           3HZ      TRP  38   3.190   7.522  -0.328
   53    HH2  TRP  38           HH       TRP  38   2.740   9.829  -1.104
   54    H    LEU  39           H        LEU  39   5.371   5.433   2.669
   55    HA   LEU  39           HA       LEU  39   5.786   3.115   2.572
   56   1HB   LEU  39          2HB       LEU  39   8.128   3.718   4.395
   57   2HB   LEU  39          1HB       LEU  39   7.935   2.339   3.321
   58    HG   LEU  39           HG       LEU  39   8.194   5.237   2.469
   59   1HD1  LEU  39          1HD1      LEU  39  10.350   4.428   3.076
   60   2HD1  LEU  39          2HD1      LEU  39  10.265   4.236   1.324
   61   3HD1  LEU  39          3HD1      LEU  39  10.034   2.840   2.376
   62   1HD2  LEU  39          1HD2      LEU  39   7.902   2.702   0.825
   63   2HD2  LEU  39          2HD2      LEU  39   8.164   4.321   0.178
   64   3HD2  LEU  39          3HD2      LEU  39   6.661   3.940   1.020
   65    H    HIS  40           H        HIS  40   6.253   4.507   5.864
   66    HA   HIS  40           HA       HIS  40   5.507   2.194   7.334
   67   1HB   HIS  40          2HB       HIS  40   6.533   4.291   8.207
   68   2HB   HIS  40          1HB       HIS  40   5.004   5.127   7.934
   69    HD1  HIS  40           1HD      HIS  40   3.093   4.695   9.589
   70    HD2  HIS  40           2HD      HIS  40   6.459   2.353  10.342
   71    HE1  HIS  40           1HE      HIS  40   2.716   3.603  11.844
   72    H    ASN  41           H        ASN  41   3.503   4.801   5.948
   73    HA   ASN  41           HA       ASN  41   1.085   3.113   6.518
   74   1HB   ASN  41          2HB       ASN  41  -0.103   5.192   6.901
   75   2HB   ASN  41          1HB       ASN  41   1.382   5.244   7.853
   76   1HD2  ASN  41          1HD2      ASN  41   0.238   7.697   7.202
   77   2HD2  ASN  41          2HD2      ASN  41   1.157   8.475   6.005
   78    H    LEU  42           H        LEU  42   3.033   3.729   4.078
   79    HA   LEU  42           HA       LEU  42   1.538   5.017   2.033
   80   1HB   LEU  42          2HB       LEU  42   3.968   4.358   2.052
   81   2HB   LEU  42          1HB       LEU  42   3.465   2.688   1.794
   82    HG   LEU  42           HG       LEU  42   2.525   3.203  -0.343
   83   1HD1  LEU  42          1HD2      LEU  42   1.351   5.200  -0.151
   84   2HD1  LEU  42          2HD2      LEU  42   2.760   5.745  -1.061
   85   3HD1  LEU  42          3HD2      LEU  42   2.676   6.017   0.679
   86   1HD2  LEU  42          1HD1      LEU  42   4.464   4.417  -1.481
   87   2HD2  LEU  42          2HD1      LEU  42   4.903   3.007  -0.516
   88   3HD2  LEU  42          3HD1      LEU  42   5.150   4.628   0.131
   89    H    GLY  43           H        GLY  43   1.360   1.742   3.316
   90   1HA   GLY  43          2HA       GLY  43  -0.094   0.523   1.189
   91   2HA   GLY  43          1HA       GLY  43  -0.157   0.005   2.874
   92    H    GLN  44           H        GLN  44  -1.058   2.752   3.696
   93    HA   GLN  44           HA       GLN  44  -3.911   2.294   3.541
   94   1HB   GLN  44          2HB       GLN  44  -2.218   4.661   4.405
   95   2HB   GLN  44          1HB       GLN  44  -3.941   4.491   4.739
   96   1HG   GLN  44          2HG       GLN  44  -3.523   2.447   6.015
   97   2HG   GLN  44          1HG       GLN  44  -1.807   2.521   5.614
   98   1HE2  GLN  44          1HE2      GLN  44  -2.726   2.580   8.341
   99   2HE2  GLN  44          2HE2      GLN  44  -2.369   4.108   8.987
  100    H    HIS  45           H        HIS  45  -1.623   4.077   1.602
  101    HA   HIS  45           HA       HIS  45  -3.413   5.979   0.409
  102   1HB   HIS  45          2HB       HIS  45  -0.932   6.060   0.398
  103   2HB   HIS  45          1HB       HIS  45  -0.902   4.647  -0.658
  104    HD1  HIS  45           1HD      HIS  45  -2.548   8.098  -0.667
  105    HD2  HIS  45           2HD      HIS  45  -0.839   5.366  -3.310
  106    HE1  HIS  45           1HE      HIS  45  -2.599   9.187  -2.953
  107    H    ILE  46           H        ILE  46  -2.344   2.729  -0.670
  108    HA   ILE  46           HA       ILE  46  -4.039   2.771  -3.044
  109    HB   ILE  46           HB       ILE  46  -3.141   0.567  -3.360
  110   1HG1  ILE  46          2HG1      ILE  46  -2.289   0.593  -0.451
  111   2HG1  ILE  46          1HG1      ILE  46  -3.750  -0.204  -1.032
  112   1HG2  ILE  46          1HG2      ILE  46  -1.544   2.751  -2.948
  113   2HG2  ILE  46          2HG2      ILE  46  -0.959   1.194  -3.533
  114   3HG2  ILE  46          3HG2      ILE  46  -0.838   1.592  -1.820
  115   1HD1  ILE  46          1HD1      ILE  46  -0.896  -0.819  -1.849
  116   2HD1  ILE  46          2HD1      ILE  46  -2.315  -1.521  -2.624
  117   3HD1  ILE  46          3HD1      ILE  46  -1.981  -1.859  -0.926
  118    H    TYR  47           H        TYR  47  -4.636   2.212   0.265
  119    HA   TYR  47           HA       TYR  47  -6.574   0.120   0.190
  120   1HB   TYR  47          1HB       TYR  47  -5.568   0.926   2.238
  121   2HB   TYR  47          2HB       TYR  47  -6.194   2.551   1.960
  122    HD1  TYR  47           1HD      TYR  47  -6.830  -0.631   3.465
  123    HD2  TYR  47           2HD      TYR  47  -8.771   2.806   1.770
  124    HE1  TYR  47           1HE      TYR  47  -8.929  -1.240   4.636
  125    HE2  TYR  47           2HE      TYR  47 -10.870   2.197   2.944
  126    HH   TYR  47           HH       TYR  47 -11.940   0.374   3.971
  127    H    GLU  48           H        GLU  48  -7.017   3.675   0.051
  128    HA   GLU  48           HA       GLU  48  -9.835   3.726  -0.203
  129   1HB   GLU  48          1HB       GLU  48  -8.085   5.594   0.106
  130   2HB   GLU  48          2HB       GLU  48  -7.907   5.552  -1.648
  131   1HG   GLU  48          2HG       GLU  48 -10.459   5.807  -1.756
  132   2HG   GLU  48          1HG       GLU  48 -10.375   6.224  -0.046
  133    H    THR  49           H        THR  49  -7.326   3.164  -2.635
  134    HA   THR  49           HA       THR  49  -9.390   2.974  -4.779
  135    HB   THR  49           HB       THR  49  -6.356   3.059  -4.765
  136    HG1  THR  49           1HG      THR  49  -7.734   4.963  -4.236
  137   1HG2  THR  49          1HG2      THR  49  -8.341   2.527  -6.900
  138   2HG2  THR  49          2HG2      THR  49  -6.641   2.066  -6.800
  139   3HG2  THR  49          3HG2      THR  49  -7.084   3.699  -7.297
  140    H    TYR  50           H        TYR  50  -6.340   1.189  -4.284
  141    HA   TYR  50           HA       TYR  50  -7.318  -1.243  -5.445
  142   1HB   TYR  50          1HB       TYR  50  -5.023  -0.664  -3.547
  143   2HB   TYR  50          2HB       TYR  50  -5.190  -2.134  -4.508
  144    HD1  TYR  50           1HD      TYR  50  -4.897  -2.103  -6.929
  145    HD2  TYR  50           2HD      TYR  50  -4.524   1.488  -4.602
  146    HE1  TYR  50           1HE      TYR  50  -3.851  -0.958  -8.863
  147    HE2  TYR  50           2HE      TYR  50  -3.478   2.634  -6.537
  148    HH   TYR  50           HH       TYR  50  -2.365   0.950  -9.282
  149    H    GLY  51           H        GLY  51  -7.193  -0.066  -2.114
  150   1HA   GLY  51          1HA       GLY  51  -8.437  -0.829  -0.253
  151   2HA   GLY  51          2HA       GLY  51  -9.170  -2.049  -1.294
  152   1HN   NH2  52          1H        GLY  51  -5.672  -1.529  -0.668
  153   2HN   NH2  52          2H        GLY  51  -5.408  -3.059   0.019
  Start of MODEL   10
    1   1H    ACE  33          1H        ACE  33   0.234   2.086  12.500
    2   2H    ACE  33          2H        ACE  33  -0.278   3.354  13.612
    3   3H    ACE  33          3H        ACE  33   0.231   1.786  14.238
    4    H    PHE  34           H        PHE  34   2.130   2.796  11.611
    5    HA   PHE  34           HA       PHE  34   4.233   3.832  13.485
    6   1HB   PHE  34          2HB       PHE  34   4.137   1.658  11.506
    7   2HB   PHE  34          1HB       PHE  34   5.537   2.713  11.318
    8    HD1  PHE  34           1HD      PHE  34   7.438   2.073  12.485
    9    HD2  PHE  34           2HD      PHE  34   3.576   1.193  14.144
   10    HE1  PHE  34           1HE      PHE  34   8.522   0.978  14.429
   11    HE2  PHE  34           2HE      PHE  34   4.660   0.098  16.088
   12    HZ   PHE  34           HZ       PHE  34   7.133  -0.009  16.230
   13    HA   PRO  35           HA       PRO  35   3.431   6.977  10.223
   14   1HB   PRO  35          2HB       PRO  35   3.720   9.155  11.851
   15   2HB   PRO  35          1HB       PRO  35   2.178   8.302  11.648
   16   1HG   PRO  35          2HG       PRO  35   4.181   8.114  13.846
   17   2HG   PRO  35          1HG       PRO  35   2.414   8.120  13.931
   18   1HD   PRO  35          2HD       PRO  35   3.920   5.858  14.127
   19   2HD   PRO  35          1HD       PRO  35   2.263   5.875  13.490
   20    H    ARG  36           H        ARG  36   5.962   6.014  12.218
   21    HA   ARG  36           HA       ARG  36   7.927   8.057  11.762
   22   1HB   ARG  36          2HB       ARG  36   8.087   5.080  12.326
   23   2HB   ARG  36          1HB       ARG  36   9.470   6.172  12.406
   24   1HG   ARG  36          2HG       ARG  36   8.238   7.544  14.090
   25   2HG   ARG  36          1HG       ARG  36   6.933   6.358  14.060
   26   1HD   ARG  36          2HD       ARG  36   9.816   5.832  14.876
   27   2HD   ARG  36          1HD       ARG  36   8.401   5.843  15.946
   28    HE   ARG  36           HE       ARG  36   7.571   4.008  14.195
   29   1HH1  ARG  36          1HH1      ARG  36   8.960   3.002  16.638
   30   2HH1  ARG  36          2HH1      ARG  36  10.223   2.024  15.970
   31   1HH2  ARG  36          1HH2      ARG  36   9.972   3.402  12.796
   32   2HH2  ARG  36          2HH2      ARG  36  10.798   2.251  13.794
   33    H    ILE  37           H        ILE  37   6.781   5.367   9.794
   34    HA   ILE  37           HA       ILE  37   8.829   6.094   7.731
   35    HB   ILE  37           HB       ILE  37   9.348   3.939   8.584
   36   1HG1  ILE  37          2HG1      ILE  37   9.078   2.526   6.686
   37   2HG1  ILE  37          1HG1      ILE  37   7.571   3.312   6.222
   38   1HG2  ILE  37          1HG2      ILE  37   7.374   2.193   8.511
   39   2HG2  ILE  37          2HG2      ILE  37   6.366   3.636   8.623
   40   3HG2  ILE  37          3HG2      ILE  37   7.541   3.280   9.888
   41   1HD1  ILE  37          1HD1      ILE  37   9.347   4.115   4.764
   42   2HD1  ILE  37          2HD1      ILE  37  10.344   4.537   6.157
   43   3HD1  ILE  37          3HD1      ILE  37   8.858   5.428   5.833
   44    H    TRP  38           H        TRP  38   7.879   7.072   6.005
   45    HA   TRP  38           HA       TRP  38   5.098   7.283   5.535
   46   1HB   TRP  38          2HB       TRP  38   5.827   8.102   3.317
   47   2HB   TRP  38          1HB       TRP  38   6.852   8.746   4.598
   48    HD1  TRP  38           HD       TRP  38   9.364   8.186   4.535
   49    HE1  TRP  38           1HE      TRP  38  10.867   6.809   2.956
   50    HE3  TRP  38           3HE      TRP  38   5.793   5.870   1.707
   51    HZ2  TRP  38           2HZ      TRP  38  10.588   4.971   0.780
   52    HZ3  TRP  38           3HZ      TRP  38   6.450   4.313  -0.106
   53    HH2  TRP  38           HH       TRP  38   8.828   3.864  -0.573
   54    H    LEU  39           H        LEU  39   7.454   4.966   4.162
   55    HA   LEU  39           HA       LEU  39   5.819   3.672   2.281
   56   1HB   LEU  39          2HB       LEU  39   8.257   3.293   2.785
   57   2HB   LEU  39          1HB       LEU  39   7.770   2.387   4.219
   58    HG   LEU  39           HG       LEU  39   6.329   0.976   2.607
   59   1HD1  LEU  39          1HD1      LEU  39   6.522   2.562   0.700
   60   2HD1  LEU  39          2HD1      LEU  39   7.091   0.948   0.277
   61   3HD1  LEU  39          3HD1      LEU  39   8.251   2.229   0.622
   62   1HD2  LEU  39          1HD2      LEU  39   7.994  -0.466   3.067
   63   2HD2  LEU  39          2HD2      LEU  39   9.116   0.871   3.317
   64   3HD2  LEU  39          3HD2      LEU  39   8.902   0.190   1.705
   65    H    HIS  40           H        HIS  40   5.790   3.490   5.783
   66    HA   HIS  40           HA       HIS  40   4.055   1.163   5.967
   67   1HB   HIS  40          2HB       HIS  40   5.697   2.080   7.680
   68   2HB   HIS  40          1HB       HIS  40   4.556   3.394   7.965
   69    HD1  HIS  40           1HD      HIS  40   4.608  -0.424   8.002
   70    HD2  HIS  40           2HD      HIS  40   2.568   2.743   9.786
   71    HE1  HIS  40           1HE      HIS  40   3.042  -1.451   9.706
   72    H    ASN  41           H        ASN  41   3.611   4.695   6.200
   73    HA   ASN  41           HA       ASN  41   0.704   4.477   6.498
   74   1HB   ASN  41          2HB       ASN  41   2.211   6.959   5.690
   75   2HB   ASN  41          1HB       ASN  41   0.825   6.812   6.769
   76   1HD2  ASN  41          1HD2      ASN  41   3.964   7.633   6.940
   77   2HD2  ASN  41          2HD2      ASN  41   4.392   6.987   8.448
   78    H    LEU  42           H        LEU  42   2.909   4.329   3.906
   79    HA   LEU  42           HA       LEU  42   1.280   5.577   1.844
   80   1HB   LEU  42          2HB       LEU  42   3.738   5.324   1.739
   81   2HB   LEU  42          1HB       LEU  42   3.559   3.570   1.743
   82    HG   LEU  42           HG       LEU  42   2.452   3.596  -0.389
   83   1HD1  LEU  42          1HD2      LEU  42   2.242   5.991  -1.482
   84   2HD1  LEU  42          2HD2      LEU  42   2.216   6.529   0.197
   85   3HD1  LEU  42          3HD2      LEU  42   0.988   5.407  -0.387
   86   1HD2  LEU  42          1HD1      LEU  42   4.764   3.698  -0.800
   87   2HD2  LEU  42          2HD1      LEU  42   4.896   5.346  -0.187
   88   3HD2  LEU  42          3HD1      LEU  42   4.144   5.045  -1.755
   89    H    GLY  43           H        GLY  43   1.527   2.371   3.267
   90   1HA   GLY  43          2HA       GLY  43   0.171   0.924   1.188
   91   2HA   GLY  43          1HA       GLY  43   0.293   0.408   2.873
   92    H    GLN  44           H        GLN  44  -0.901   2.903   3.885
   93    HA   GLN  44           HA       GLN  44  -3.655   2.154   3.960
   94   1HB   GLN  44          2HB       GLN  44  -2.379   3.580   5.592
   95   2HB   GLN  44          1HB       GLN  44  -2.379   4.877   4.397
   96   1HG   GLN  44          2HG       GLN  44  -4.852   4.861   4.385
   97   2HG   GLN  44          1HG       GLN  44  -4.846   3.573   5.589
   98   1HE2  GLN  44          1HE2      GLN  44  -6.144   5.851   6.384
   99   2HE2  GLN  44          2HE2      GLN  44  -5.206   6.742   7.484
  100    H    HIS  45           H        HIS  45  -1.849   4.393   1.892
  101    HA   HIS  45           HA       HIS  45  -4.024   5.700   0.609
  102   1HB   HIS  45          2HB       HIS  45  -1.617   6.311   0.481
  103   2HB   HIS  45          1HB       HIS  45  -1.312   4.860  -0.473
  104    HD1  HIS  45           1HD      HIS  45  -3.733   7.817  -0.662
  105    HD2  HIS  45           2HD      HIS  45  -1.416   5.422  -3.167
  106    HE1  HIS  45           1HE      HIS  45  -4.066   8.703  -3.011
  107    H    ILE  46           H        ILE  46  -2.336   2.658  -0.194
  108    HA   ILE  46           HA       ILE  46  -3.627   2.023  -2.621
  109    HB   ILE  46           HB       ILE  46  -2.699   0.283  -0.311
  110   1HG1  ILE  46          1HG1      ILE  46  -1.327   1.054  -2.904
  111   2HG1  ILE  46          2HG1      ILE  46  -1.003   1.809  -1.344
  112   1HG2  ILE  46          1HG2      ILE  46  -4.289  -0.788  -2.022
  113   2HG2  ILE  46          2HG2      ILE  46  -2.727  -1.575  -1.799
  114   3HG2  ILE  46          3HG2      ILE  46  -3.003  -0.543  -3.203
  115   1HD1  ILE  46          1HD1      ILE  46  -0.872  -1.175  -1.510
  116   2HD1  ILE  46          2HD1      ILE  46   0.060  -0.067  -0.503
  117   3HD1  ILE  46          3HD1      ILE  46   0.455  -0.250  -2.213
  118    H    TYR  47           H        TYR  47  -4.641   1.213   0.721
  119    HA   TYR  47           HA       TYR  47  -6.939  -0.282   0.262
  120   1HB   TYR  47          1HB       TYR  47  -5.945   0.377   2.456
  121   2HB   TYR  47          2HB       TYR  47  -6.588   2.005   2.230
  122    HD1  TYR  47           1HD      TYR  47  -7.489  -1.555   2.733
  123    HD2  TYR  47           2HD      TYR  47  -8.928   2.488   2.540
  124    HE1  TYR  47           1HE      TYR  47  -9.669  -2.287   3.662
  125    HE2  TYR  47           2HE      TYR  47 -11.108   1.756   3.470
  126    HH   TYR  47           HH       TYR  47 -11.577  -1.436   4.760
  127    H    GLU  48           H        GLU  48  -6.659   3.284   0.165
  128    HA   GLU  48           HA       GLU  48  -9.419   3.826  -0.386
  129   1HB   GLU  48          2HB       GLU  48  -6.832   5.279  -1.022
  130   2HB   GLU  48          1HB       GLU  48  -8.429   6.002  -1.206
  131   1HG   GLU  48          2HG       GLU  48  -7.284   4.890   1.374
  132   2HG   GLU  48          1HG       GLU  48  -7.431   6.601   0.972
  133    H    THR  49           H        THR  49  -6.639   3.168  -2.509
  134    HA   THR  49           HA       THR  49  -7.869   3.762  -5.010
  135    HB   THR  49           HB       THR  49  -5.787   1.680  -4.263
  136    HG1  THR  49           1HG      THR  49  -4.679   3.386  -3.802
  137   1HG2  THR  49          1HG2      THR  49  -6.221   1.180  -6.478
  138   2HG2  THR  49          2HG2      THR  49  -5.044   2.477  -6.690
  139   3HG2  THR  49          3HG2      THR  49  -6.768   2.816  -6.849
  140    H    TYR  50           H        TYR  50  -7.610   0.635  -3.273
  141    HA   TYR  50           HA       TYR  50  -9.261  -0.781  -5.201
  142   1HB   TYR  50          2HB       TYR  50  -8.203  -1.317  -2.418
  143   2HB   TYR  50          1HB       TYR  50  -9.196  -2.491  -3.279
  144    HD1  TYR  50           1HD      TYR  50  -8.332  -3.740  -5.153
  145    HD2  TYR  50           2HD      TYR  50  -5.990  -0.629  -3.338
  146    HE1  TYR  50           1HE      TYR  50  -6.339  -4.501  -6.418
  147    HE2  TYR  50           2HE      TYR  50  -3.997  -1.392  -4.602
  148    HH   TYR  50           HH       TYR  50  -3.952  -3.004  -7.160
  149    H    GLY  51           H        GLY  51  -9.878   1.143  -2.354
  150   1HA   GLY  51          1HA       GLY  51 -11.899   1.787  -1.347
  151   2HA   GLY  51          2HA       GLY  51 -12.693   1.261  -2.831
  152   1HN   NH2  52          1H        GLY  51 -13.049  -1.191  -3.004
  153   2HN   NH2  52          2H        GLY  51 -13.378  -2.044  -1.573
  Start of MODEL   11
    1   1H    ACE  33          1H        ACE  33  14.422  -1.595   3.973
    2   2H    ACE  33          2H        ACE  33  15.086  -3.211   4.219
    3   3H    ACE  33          3H        ACE  33  15.555  -1.891   5.292
    4    H    PHE  34           H        PHE  34  13.186  -0.735   5.980
    5    HA   PHE  34           HA       PHE  34  11.583  -2.988   7.149
    6   1HB   PHE  34          2HB       PHE  34  12.548  -0.380   8.357
    7   2HB   PHE  34          1HB       PHE  34  11.394  -1.452   9.148
    8    HD1  PHE  34           1HD      PHE  34  14.465  -0.564   9.741
    9    HD2  PHE  34           2HD      PHE  34  12.499  -4.110   8.323
   10    HE1  PHE  34           1HE      PHE  34  16.338  -1.946  10.598
   11    HE2  PHE  34           2HE      PHE  34  14.372  -5.491   9.179
   12    HZ   PHE  34           HZ       PHE  34  16.290  -4.409  10.317
   13    HA   PRO  35           HA       PRO  35   8.996  -0.048   4.560
   14   1HB   PRO  35          2HB       PRO  35   7.178  -1.985   3.904
   15   2HB   PRO  35          1HB       PRO  35   8.642  -1.669   2.953
   16   1HG   PRO  35          2HG       PRO  35   8.103  -3.797   4.966
   17   2HG   PRO  35          1HG       PRO  35   8.982  -3.893   3.434
   18   1HD   PRO  35          2HD       PRO  35  10.205  -3.728   5.866
   19   2HD   PRO  35          1HD       PRO  35  10.931  -3.126   4.362
   20    H    ARG  36           H        ARG  36   8.547  -2.239   7.227
   21    HA   ARG  36           HA       ARG  36   5.831  -1.708   7.914
   22   1HB   ARG  36          2HB       ARG  36   8.279  -2.317   9.603
   23   2HB   ARG  36          1HB       ARG  36   6.613  -2.466  10.162
   24   1HG   ARG  36          2HG       ARG  36   6.170  -4.104   8.349
   25   2HG   ARG  36          1HG       ARG  36   7.858  -3.984   7.850
   26   1HD   ARG  36          2HD       ARG  36   8.521  -4.712  10.178
   27   2HD   ARG  36          1HD       ARG  36   6.804  -5.016  10.505
   28    HE   ARG  36           HE       ARG  36   8.517  -6.686   8.877
   29   1HH1  ARG  36          1HH1      ARG  36   5.820  -7.288  10.285
   30   2HH1  ARG  36          2HH1      ARG  36   4.849  -7.714   8.916
   31   1HH2  ARG  36          1HH2      ARG  36   7.069  -6.402   6.599
   32   2HH2  ARG  36          2HH2      ARG  36   5.555  -7.211   6.828
   33    H    ILE  37           H        ILE  37   8.761   0.192   8.357
   34    HA   ILE  37           HA       ILE  37   7.903   1.917  10.450
   35    HB   ILE  37           HB       ILE  37   9.649   3.426   9.456
   36   1HG1  ILE  37          2HG1      ILE  37  10.732   1.769   7.471
   37   2HG1  ILE  37          1HG1      ILE  37   9.005   1.822   7.121
   38   1HG2  ILE  37          1HG2      ILE  37  10.816   1.998  10.782
   39   2HG2  ILE  37          2HG2      ILE  37  11.338   1.275   9.260
   40   3HG2  ILE  37          3HG2      ILE  37   9.982   0.579  10.148
   41   1HD1  ILE  37          1HD1      ILE  37   9.977   3.694   5.982
   42   2HD1  ILE  37          2HD1      ILE  37  10.909   4.156   7.406
   43   3HD1  ILE  37          3HD1      ILE  37   9.155   4.347   7.399
   44    H    TRP  38           H        TRP  38   8.211   4.508   9.037
   45    HA   TRP  38           HA       TRP  38   5.494   5.154   8.641
   46   1HB   TRP  38          2HB       TRP  38   6.380   7.257   7.736
   47   2HB   TRP  38          1HB       TRP  38   7.334   6.741   9.125
   48    HD1  TRP  38           HD       TRP  38   9.842   6.644   8.783
   49    HE1  TRP  38           1HE      TRP  38  11.427   6.622   6.751
   50    HE3  TRP  38           3HE      TRP  38   6.423   6.368   4.993
   51    HZ2  TRP  38           2HZ      TRP  38  11.269   6.507   3.898
   52    HZ3  TRP  38           3HZ      TRP  38   7.170   6.307   2.632
   53    HH2  TRP  38           HH       TRP  38   9.586   6.377   2.080
   54    H    LEU  39           H        LEU  39   7.749   3.698   6.396
   55    HA   LEU  39           HA       LEU  39   6.598   4.415   3.909
   56   1HB   LEU  39          2HB       LEU  39   8.681   3.069   4.323
   57   2HB   LEU  39          1HB       LEU  39   7.661   1.706   4.789
   58    HG   LEU  39           HG       LEU  39   6.515   2.016   2.501
   59   1HD1  LEU  39          1HD1      LEU  39   7.284   3.589   1.077
   60   2HD1  LEU  39          2HD1      LEU  39   8.958   3.098   1.338
   61   3HD1  LEU  39          3HD1      LEU  39   8.194   4.249   2.436
   62   1HD2  LEU  39          1HD2      LEU  39   7.973   0.126   2.938
   63   2HD2  LEU  39          2HD2      LEU  39   9.406   1.128   2.713
   64   3HD2  LEU  39          3HD2      LEU  39   8.358   0.766   1.341
   65    H    HIS  40           H        HIS  40   5.504   2.253   6.435
   66    HA   HIS  40           HA       HIS  40   3.512   0.810   4.975
   67   1HB   HIS  40          2HB       HIS  40   4.419   0.296   7.251
   68   2HB   HIS  40          1HB       HIS  40   3.566   1.706   7.880
   69    HD1  HIS  40           1HD      HIS  40   2.710  -1.430   5.862
   70    HD2  HIS  40           2HD      HIS  40   1.022   1.061   8.749
   71    HE1  HIS  40           1HE      HIS  40   0.462  -2.434   6.447
   72    H    ASN  41           H        ASN  41   3.628   4.051   6.326
   73    HA   ASN  41           HA       ASN  41   0.856   4.680   6.442
   74   1HB   ASN  41          2HB       ASN  41   3.096   6.507   5.519
   75   2HB   ASN  41          1HB       ASN  41   1.639   6.958   6.401
   76   1HD2  ASN  41          1HD2      ASN  41   4.257   7.583   7.390
   77   2HD2  ASN  41          2HD2      ASN  41   4.522   6.689   8.807
   78    H    LEU  42           H        LEU  42   3.190   4.959   3.753
   79    HA   LEU  42           HA       LEU  42   1.480   6.070   1.792
   80   1HB   LEU  42          1HB       LEU  42   3.690   4.006   1.484
   81   2HB   LEU  42          2HB       LEU  42   3.119   5.103   0.228
   82    HG   LEU  42           HG       LEU  42   4.493   5.869   2.820
   83   1HD1  LEU  42          1HD1      LEU  42   5.258   5.838  -0.091
   84   2HD1  LEU  42          2HD1      LEU  42   6.166   5.246   1.299
   85   3HD1  LEU  42          3HD1      LEU  42   6.021   6.979   1.016
   86   1HD2  LEU  42          1HD2      LEU  42   3.155   7.713   2.622
   87   2HD2  LEU  42          2HD2      LEU  42   2.804   7.401   0.923
   88   3HD2  LEU  42          3HD2      LEU  42   4.325   8.167   1.384
   89    H    GLY  43           H        GLY  43   1.994   2.693   2.750
   90   1HA   GLY  43          2HA       GLY  43   0.493   1.383   0.765
   91   2HA   GLY  43          1HA       GLY  43   0.631   0.802   2.425
   92    H    GLN  44           H        GLN  44  -0.604   3.328   3.465
   93    HA   GLN  44           HA       GLN  44  -3.312   2.485   3.645
   94   1HB   GLN  44          2HB       GLN  44  -1.969   5.186   3.983
   95   2HB   GLN  44          1HB       GLN  44  -3.615   4.838   4.509
   96   1HG   GLN  44          2HG       GLN  44  -2.789   3.066   5.993
   97   2HG   GLN  44          1HG       GLN  44  -1.140   3.346   5.434
   98   1HE2  GLN  44          1HE2      GLN  44  -1.764   3.645   8.189
   99   2HE2  GLN  44          2HE2      GLN  44  -1.668   5.289   8.601
  100    H    HIS  45           H        HIS  45  -1.721   4.731   1.401
  101    HA   HIS  45           HA       HIS  45  -3.968   5.915   0.176
  102   1HB   HIS  45          2HB       HIS  45  -1.577   6.496  -0.165
  103   2HB   HIS  45          1HB       HIS  45  -1.352   4.991  -1.057
  104    HD1  HIS  45           1HD      HIS  45  -3.681   8.020  -1.234
  105    HD2  HIS  45           2HD      HIS  45  -1.731   5.339  -3.761
  106    HE1  HIS  45           1HE      HIS  45  -4.202   8.758  -3.601
  107    H    ILE  46           H        ILE  46  -2.373   2.808  -0.602
  108    HA   ILE  46           HA       ILE  46  -3.950   2.123  -2.872
  109    HB   ILE  46           HB       ILE  46  -2.563   0.487  -0.728
  110   1HG1  ILE  46          1HG1      ILE  46  -1.732   1.121  -3.571
  111   2HG1  ILE  46          2HG1      ILE  46  -1.212   2.065  -2.176
  112   1HG2  ILE  46          1HG2      ILE  46  -4.163  -0.979  -1.762
  113   2HG2  ILE  46          2HG2      ILE  46  -2.605  -1.319  -2.516
  114   3HG2  ILE  46          3HG2      ILE  46  -3.800  -0.340  -3.366
  115   1HD1  ILE  46          1HD1      ILE  46   0.197   0.423  -1.423
  116   2HD1  ILE  46          2HD1      ILE  46   0.179  -0.058  -3.120
  117   3HD1  ILE  46          3HD1      ILE  46  -0.867  -0.877  -1.960
  118    H    TYR  47           H        TYR  47  -4.491   1.503   0.604
  119    HA   TYR  47           HA       TYR  47  -6.707  -0.200   0.527
  120   1HB   TYR  47          1HB       TYR  47  -5.468   0.695   2.523
  121   2HB   TYR  47          2HB       TYR  47  -6.317   2.226   2.310
  122    HD1  TYR  47           1HD      TYR  47  -8.632   2.475   2.912
  123    HD2  TYR  47           2HD      TYR  47  -6.731  -1.371   3.104
  124    HE1  TYR  47           1HE      TYR  47 -10.577   1.578   4.162
  125    HE2  TYR  47           2HE      TYR  47  -8.676  -2.271   4.355
  126    HH   TYR  47           HH       TYR  47 -11.145  -1.690   4.581
  127    H    GLU  48           H        GLU  48  -6.640   3.329   0.037
  128    HA   GLU  48           HA       GLU  48  -9.469   3.750  -0.048
  129   1HB   GLU  48          2HB       GLU  48  -7.118   5.158  -1.349
  130   2HB   GLU  48          1HB       GLU  48  -8.749   5.825  -1.284
  131   1HG   GLU  48          2HG       GLU  48  -8.671   5.635   1.212
  132   2HG   GLU  48          1HG       GLU  48  -6.993   5.111   1.084
  133    H    THR  49           H        THR  49  -7.141   2.741  -2.525
  134    HA   THR  49           HA       THR  49  -8.927   3.028  -4.780
  135    HB   THR  49           HB       THR  49  -7.171   1.958  -5.963
  136    HG1  THR  49           1HG      THR  49  -5.571   0.824  -4.407
  137   1HG2  THR  49          1HG2      THR  49  -6.590   4.038  -4.394
  138   2HG2  THR  49          2HG2      THR  49  -5.356   3.239  -5.369
  139   3HG2  THR  49          3HG2      THR  49  -5.511   2.853  -3.656
  140    H    TYR  50           H        TYR  50  -7.983   0.216  -2.779
  141    HA   TYR  50           HA       TYR  50  -9.819  -1.596  -4.137
  142   1HB   TYR  50          2HB       TYR  50  -8.161  -1.666  -1.603
  143   2HB   TYR  50          1HB       TYR  50  -9.144  -3.033  -2.127
  144    HD1  TYR  50           1HD      TYR  50  -6.312  -0.818  -3.088
  145    HD2  TYR  50           2HD      TYR  50  -8.466  -4.440  -3.938
  146    HE1  TYR  50           1HE      TYR  50  -4.517  -1.521  -4.649
  147    HE2  TYR  50           2HE      TYR  50  -6.670  -5.139  -5.501
  148    HH   TYR  50           HH       TYR  50  -4.318  -3.044  -6.655
  149    H    GLY  51           H        GLY  51 -10.042   0.673  -1.516
  150   1HA   GLY  51          1HA       GLY  51 -12.255  -0.520  -0.117
  151   2HA   GLY  51          2HA       GLY  51 -11.781   1.178  -0.020
  152   1HN   NH2  52          1H        GLY  51 -12.065   0.972  -3.204
  153   2HN   NH2  52          2H        GLY  51 -13.723   1.256  -3.424
  Start of MODEL   12
    1   1H    ACE  33          1H        ACE  33   5.355  -6.232   9.595
    2   2H    ACE  33          2H        ACE  33   5.216  -5.728   7.910
    3   3H    ACE  33          3H        ACE  33   3.765  -6.081   8.848
    4    H    PHE  34           H        PHE  34   5.861  -4.548  10.899
    5    HA   PHE  34           HA       PHE  34   4.755  -1.831  10.229
    6   1HB   PHE  34          2HB       PHE  34   4.052  -3.452  12.322
    7   2HB   PHE  34          1HB       PHE  34   5.364  -2.524  13.046
    8    HD1  PHE  34           1HD      PHE  34   5.245  -0.036  13.136
    9    HD2  PHE  34           2HD      PHE  34   1.950  -2.425  11.763
   10    HE1  PHE  34           1HE      PHE  34   3.722   1.901  13.420
   11    HE2  PHE  34           2HE      PHE  34   0.427  -0.488  12.047
   12    HZ   PHE  34           HZ       PHE  34   1.313   1.675  12.876
   13    HA   PRO  35           HA       PRO  35   9.332  -1.617  10.528
   14   1HB   PRO  35          2HB       PRO  35   9.672   0.102   8.423
   15   2HB   PRO  35          1HB       PRO  35   9.615  -1.661   8.228
   16   1HG   PRO  35          2HG       PRO  35   7.489   0.373   7.759
   17   2HG   PRO  35          1HG       PRO  35   7.891  -1.073   6.822
   18   1HD   PRO  35          2HD       PRO  35   5.805  -0.947   8.570
   19   2HD   PRO  35          1HD       PRO  35   6.672  -2.450   8.188
   20    H    ARG  36           H        ARG  36   6.659   0.390  10.865
   21    HA   ARG  36           HA       ARG  36   6.336   2.454  11.953
   22   1HB   ARG  36          1HB       ARG  36   9.146   1.744  12.861
   23   2HB   ARG  36          2HB       ARG  36   8.120   2.965  13.615
   24   1HG   ARG  36          2HG       ARG  36   6.407   1.204  14.050
   25   2HG   ARG  36          1HG       ARG  36   7.514   0.001  13.385
   26   1HD   ARG  36          2HD       ARG  36   9.207   0.711  15.121
   27   2HD   ARG  36          1HD       ARG  36   7.943   1.719  15.853
   28    HE   ARG  36           HE       ARG  36   7.291  -1.134  15.342
   29   1HH1  ARG  36          1HH2      ARG  36   5.593   0.514  17.118
   30   2HH1  ARG  36          2HH2      ARG  36   6.152   0.076  18.698
   31   1HH2  ARG  36          1HH1      ARG  36   9.113  -1.321  17.550
   32   2HH2  ARG  36          2HH1      ARG  36   8.146  -0.963  18.942
   33    H    ILE  37           H        ILE  37   7.383   2.459   9.211
   34    HA   ILE  37           HA       ILE  37   8.948   5.019   9.343
   35    HB   ILE  37           HB       ILE  37  10.056   4.246   7.259
   36   1HG1  ILE  37          2HG1      ILE  37   9.552   1.530   7.172
   37   2HG1  ILE  37          1HG1      ILE  37   7.953   2.215   7.454
   38   1HG2  ILE  37          1HG2      ILE  37  10.319   3.134   9.889
   39   2HG2  ILE  37          2HG2      ILE  37  11.575   3.391   8.679
   40   3HG2  ILE  37          3HG2      ILE  37  10.675   1.875   8.708
   41   1HD1  ILE  37          1HD1      ILE  37   9.204   2.045   4.992
   42   2HD1  ILE  37          2HD1      ILE  37   9.507   3.716   5.472
   43   3HD1  ILE  37          3HD1      ILE  37   7.860   3.106   5.388
   44    H    TRP  38           H        TRP  38   8.712   6.235   7.132
   45    HA   TRP  38           HA       TRP  38   6.047   7.083   6.818
   46   1HB   TRP  38          2HB       TRP  38   6.938   8.306   4.908
   47   2HB   TRP  38          1HB       TRP  38   8.149   8.272   6.188
   48    HD1  TRP  38           HD       TRP  38  10.382   7.017   5.740
   49    HE1  TRP  38           1HE      TRP  38  11.395   5.876   3.662
   50    HE3  TRP  38           3HE      TRP  38   6.282   6.927   2.697
   51    HZ2  TRP  38           2HZ      TRP  38  10.572   5.037   1.052
   52    HZ3  TRP  38           3HZ      TRP  38   6.425   5.952   0.424
   53    HH2  TRP  38           HH       TRP  38   8.564   5.005  -0.395
   54    H    LEU  39           H        LEU  39   7.851   4.813   4.666
   55    HA   LEU  39           HA       LEU  39   5.865   4.400   2.723
   56   1HB   LEU  39          2HB       LEU  39   8.273   3.456   2.989
   57   2HB   LEU  39          1HB       LEU  39   7.503   2.147   3.886
   58    HG   LEU  39           HG       LEU  39   5.937   2.498   1.575
   59   1HD1  LEU  39          1HD2      LEU  39   8.779   3.124   1.131
   60   2HD1  LEU  39          2HD2      LEU  39   7.384   3.438   0.098
   61   3HD1  LEU  39          3HD2      LEU  39   8.156   1.853   0.079
   62   1HD2  LEU  39          1HD1      LEU  39   6.139   0.251   1.641
   63   2HD2  LEU  39          2HD1      LEU  39   7.224   0.464   3.013
   64   3HD2  LEU  39          3HD1      LEU  39   7.880   0.340   1.381
   65    H    HIS  40           H        HIS  40   6.110   2.957   5.968
   66    HA   HIS  40           HA       HIS  40   4.140   0.967   5.814
   67   1HB   HIS  40          2HB       HIS  40   5.658   1.583   7.743
   68   2HB   HIS  40          1HB       HIS  40   4.563   2.921   8.097
   69    HD1  HIS  40           1HD      HIS  40   4.260  -0.848   7.512
   70    HD2  HIS  40           2HD      HIS  40   2.566   2.166   9.842
   71    HE1  HIS  40           1HE      HIS  40   2.540  -1.969   8.997
   72    H    ASN  41           H        ASN  41   3.735   4.476   6.203
   73    HA   ASN  41           HA       ASN  41   0.832   4.308   6.527
   74   1HB   ASN  41          2HB       ASN  41   2.500   6.705   5.727
   75   2HB   ASN  41          1HB       ASN  41   0.996   6.690   6.650
   76   1HD2  ASN  41          1HD2      ASN  41   4.483   6.073   6.850
   77   2HD2  ASN  41          2HD2      ASN  41   4.544   5.966   8.543
   78    H    LEU  42           H        LEU  42   3.085   4.507   3.877
   79    HA   LEU  42           HA       LEU  42   1.415   5.638   1.853
   80   1HB   LEU  42          1HB       LEU  42   3.882   5.258   1.766
   81   2HB   LEU  42          2HB       LEU  42   3.586   3.524   1.661
   82    HG   LEU  42           HG       LEU  42   2.182   4.007  -0.403
   83   1HD1  LEU  42          1HD1      LEU  42   3.448   6.724   0.035
   84   2HD1  LEU  42          2HD1      LEU  42   1.732   6.350  -0.121
   85   3HD1  LEU  42          3HD1      LEU  42   2.795   6.210  -1.521
   86   1HD2  LEU  42          1HD2      LEU  42   5.118   4.213  -0.102
   87   2HD2  LEU  42          2HD2      LEU  42   4.486   4.809  -1.636
   88   3HD2  LEU  42          3HD2      LEU  42   4.164   3.149  -1.137
   89    H    GLY  43           H        GLY  43   1.635   2.384   3.197
   90   1HA   GLY  43          2HA       GLY  43   0.215   0.979   1.167
   91   2HA   GLY  43          1HA       GLY  43   0.292   0.490   2.860
   92    H    GLN  44           H        GLN  44  -0.876   3.054   3.784
   93    HA   GLN  44           HA       GLN  44  -3.625   2.341   3.878
   94   1HB   GLN  44          2HB       GLN  44  -2.189   4.994   4.213
   95   2HB   GLN  44          1HB       GLN  44  -3.851   4.697   4.722
   96   1HG   GLN  44          2HG       GLN  44  -3.091   2.918   6.235
   97   2HG   GLN  44          1HG       GLN  44  -1.428   3.152   5.696
   98   1HE2  GLN  44          1HE2      GLN  44  -2.117   3.498   8.444
   99   2HE2  GLN  44          2HE2      GLN  44  -1.970   5.143   8.840
  100    H    HIS  45           H        HIS  45  -1.835   4.420   1.635
  101    HA   HIS  45           HA       HIS  45  -4.024   5.671   0.320
  102   1HB   HIS  45          2HB       HIS  45  -1.605   6.232   0.114
  103   2HB   HIS  45          1HB       HIS  45  -1.355   4.737  -0.788
  104    HD1  HIS  45           1HD      HIS  45  -2.141   4.669  -3.229
  105    HD2  HIS  45           2HD      HIS  45  -3.125   8.232  -1.300
  106    HE1  HIS  45           1HE      HIS  45  -2.955   6.254  -5.027
  107    H    ILE  46           H        ILE  46  -2.439   2.532  -0.284
  108    HA   ILE  46           HA       ILE  46  -3.781   1.823  -2.681
  109    HB   ILE  46           HB       ILE  46  -2.832   0.141  -0.339
  110   1HG1  ILE  46          1HG1      ILE  46  -1.445   0.904  -2.927
  111   2HG1  ILE  46          2HG1      ILE  46  -1.128   1.653  -1.363
  112   1HG2  ILE  46          1HG2      ILE  46  -2.910  -0.837  -3.166
  113   2HG2  ILE  46          2HG2      ILE  46  -4.417  -0.818  -2.251
  114   3HG2  ILE  46          3HG2      ILE  46  -3.039  -1.749  -1.662
  115   1HD1  ILE  46          1HD1      ILE  46  -0.207  -0.921  -2.412
  116   2HD1  ILE  46          2HD1      ILE  46  -0.946  -1.066  -0.818
  117   3HD1  ILE  46          3HD1      ILE  46   0.417   0.026  -1.061
  118    H    TYR  47           H        TYR  47  -4.766   1.385   0.722
  119    HA   TYR  47           HA       TYR  47  -7.058  -0.209   0.388
  120   1HB   TYR  47          1HB       TYR  47  -6.002   0.574   2.519
  121   2HB   TYR  47          2HB       TYR  47  -6.679   2.177   2.227
  122    HD1  TYR  47           1HD      TYR  47  -8.992   2.649   2.637
  123    HD2  TYR  47           2HD      TYR  47  -7.531  -1.384   2.863
  124    HE1  TYR  47           1HE      TYR  47 -11.136   1.930   3.655
  125    HE2  TYR  47           2HE      TYR  47  -9.674  -2.103   3.881
  126    HH   TYR  47           HH       TYR  47 -12.452  -0.168   3.876
  127    H    GLU  48           H        GLU  48  -6.808   3.356   0.175
  128    HA   GLU  48           HA       GLU  48  -9.579   3.832  -0.398
  129   1HB   GLU  48          2HB       GLU  48  -7.030   5.347  -1.049
  130   2HB   GLU  48          1HB       GLU  48  -8.650   6.027  -1.199
  131   1HG   GLU  48          2HG       GLU  48  -9.037   5.567   1.215
  132   2HG   GLU  48          1HG       GLU  48  -7.385   4.964   1.346
  133    H    THR  49           H        THR  49  -6.792   3.092  -2.468
  134    HA   THR  49           HA       THR  49  -7.977   3.698  -4.997
  135    HB   THR  49           HB       THR  49  -5.960   1.556  -4.245
  136    HG1  THR  49           1HG      THR  49  -4.496   3.129  -4.238
  137   1HG2  THR  49          1HG2      THR  49  -6.085   1.130  -6.462
  138   2HG2  THR  49          2HG2      THR  49  -5.247   2.668  -6.671
  139   3HG2  THR  49          3HG2      THR  49  -7.006   2.601  -6.776
  140    H    TYR  50           H        TYR  50  -8.048   0.757  -2.994
  141    HA   TYR  50           HA       TYR  50  -9.897  -0.513  -4.974
  142   1HB   TYR  50          2HB       TYR  50  -8.280  -1.608  -2.648
  143   2HB   TYR  50          1HB       TYR  50  -9.272  -2.582  -3.733
  144    HD1  TYR  50           1HD      TYR  50  -8.694  -2.723  -6.167
  145    HD2  TYR  50           2HD      TYR  50  -6.121  -0.805  -3.310
  146    HE1  TYR  50           1HE      TYR  50  -6.816  -2.836  -7.783
  147    HE2  TYR  50           2HE      TYR  50  -4.244  -0.918  -4.926
  148    HH   TYR  50           HH       TYR  50  -4.611  -2.552  -8.060
  149    H    GLY  51           H        GLY  51 -10.310   1.515  -2.543
  150   1HA   GLY  51          2HA       GLY  51 -11.946   1.847  -0.888
  151   2HA   GLY  51          1HA       GLY  51 -12.971   0.867  -1.936
  152   1HN   NH2  52          1H        GLY  51 -10.946   0.807   0.948
  153   2HN   NH2  52          2H        GLY  51 -11.331  -0.779   1.413
  Start of MODEL   13
    1   1H    ACE  33          1H        ACE  33  15.158   4.688  12.645
    2   2H    ACE  33          2H        ACE  33  13.917   3.651  13.350
    3   3H    ACE  33          3H        ACE  33  14.408   5.128  14.180
    4    H    PHE  34           H        PHE  34  11.819   4.015  12.728
    5    HA   PHE  34           HA       PHE  34  11.185   6.640  11.427
    6   1HB   PHE  34          2HB       PHE  34   9.996   5.379   9.687
    7   2HB   PHE  34          1HB       PHE  34  11.669   4.831   9.780
    8    HD1  PHE  34           1HD      PHE  34   8.235   3.830   9.890
    9    HD2  PHE  34           2HD      PHE  34  12.156   2.781  11.303
   10    HE1  PHE  34           1HE      PHE  34   7.462   1.514  10.325
   11    HE2  PHE  34           2HE      PHE  34  11.378   0.467  11.741
   12    HZ   PHE  34           HZ       PHE  34   9.032  -0.166  11.251
   13    HA   PRO  35           HA       PRO  35   8.348   5.646  15.027
   14   1HB   PRO  35          2HB       PRO  35   7.399   8.212  15.085
   15   2HB   PRO  35          1HB       PRO  35   8.858   7.704  15.956
   16   1HG   PRO  35          2HG       PRO  35   8.599   9.115  13.341
   17   2HG   PRO  35          1HG       PRO  35   9.749   9.390  14.659
   18   1HD   PRO  35          2HD       PRO  35  10.383   8.028  12.395
   19   2HD   PRO  35          1HD       PRO  35  11.137   7.695  13.968
   20    H    ARG  36           H        ARG  36   8.003   7.233  11.905
   21    HA   ARG  36           HA       ARG  36   5.782   5.734  11.017
   22   1HB   ARG  36          2HB       ARG  36   4.482   6.654  12.792
   23   2HB   ARG  36          1HB       ARG  36   5.145   8.268  12.541
   24   1HG   ARG  36          2HG       ARG  36   4.068   8.176  10.212
   25   2HG   ARG  36          1HG       ARG  36   3.201   6.754  10.786
   26   1HD   ARG  36          2HD       ARG  36   2.499   8.259  12.793
   27   2HD   ARG  36          1HD       ARG  36   2.991   9.608  11.749
   28    HE   ARG  36           HE       ARG  36   1.117   7.520  10.710
   29   1HH1  ARG  36          1HH1      ARG  36  -0.268   9.577  12.360
   30   2HH1  ARG  36          2HH1      ARG  36  -0.673  10.785  11.186
   31   1HH2  ARG  36          1HH2      ARG  36   1.550   9.593   8.806
   32   2HH2  ARG  36          2HH2      ARG  36   0.357  10.794   9.172
   33    H    ILE  37           H        ILE  37   7.014   5.998   9.067
   34    HA   ILE  37           HA       ILE  37   7.190   8.764   7.958
   35    HB   ILE  37           HB       ILE  37   8.783   7.650   6.388
   36   1HG1  ILE  37          2HG1      ILE  37   9.179   5.202   7.774
   37   2HG1  ILE  37          1HG1      ILE  37   7.457   5.317   7.410
   38   1HG2  ILE  37          1HG2      ILE  37  10.503   7.144   8.101
   39   2HG2  ILE  37          2HG2      ILE  37   9.245   7.085   9.334
   40   3HG2  ILE  37          3HG2      ILE  37   9.599   8.603   8.509
   41   1HD1  ILE  37          1HD1      ILE  37   9.177   6.170   5.189
   42   2HD1  ILE  37          2HD1      ILE  37   7.791   5.083   5.194
   43   3HD1  ILE  37          3HD1      ILE  37   9.385   4.476   5.633
   44    H    TRP  38           H        TRP  38   6.998   8.586   5.361
   45    HA   TRP  38           HA       TRP  38   4.248   8.108   4.769
   46   1HB   TRP  38          2HB       TRP  38   4.958   8.652   2.485
   47   2HB   TRP  38          1HB       TRP  38   5.775   9.704   3.638
   48    HD1  TRP  38           HD       TRP  38   8.361   9.509   3.875
   49    HE1  TRP  38           1HE      TRP  38  10.167   8.213   2.568
   50    HE3  TRP  38           3HE      TRP  38   5.396   6.366   1.154
   51    HZ2  TRP  38           2HZ      TRP  38  10.328   6.120   0.624
   52    HZ3  TRP  38           3HZ      TRP  38   6.401   4.737  -0.414
   53    HH2  TRP  38           HH       TRP  38   8.858   4.609  -0.675
   54    H    LEU  39           H        LEU  39   7.142   6.147   3.845
   55    HA   LEU  39           HA       LEU  39   5.690   4.183   2.372
   56   1HB   LEU  39          2HB       LEU  39   8.180   4.535   2.426
   57   2HB   LEU  39          1HB       LEU  39   8.202   3.783   4.020
   58    HG   LEU  39           HG       LEU  39   6.893   1.851   2.838
   59   1HD1  LEU  39          1HD1      LEU  39   8.380   3.047   0.485
   60   2HD1  LEU  39          2HD1      LEU  39   6.636   3.172   0.714
   61   3HD1  LEU  39          3HD1      LEU  39   7.383   1.593   0.482
   62   1HD2  LEU  39          1HD2      LEU  39   9.604   2.352   3.414
   63   2HD2  LEU  39          2HD2      LEU  39   9.591   1.643   1.799
   64   3HD2  LEU  39          3HD2      LEU  39   8.852   0.779   3.147
   65    H    HIS  40           H        HIS  40   6.070   4.656   5.823
   66    HA   HIS  40           HA       HIS  40   5.357   1.994   6.670
   67   1HB   HIS  40          2HB       HIS  40   6.453   3.816   8.019
   68   2HB   HIS  40          1HB       HIS  40   4.905   4.661   8.047
   69    HD1  HIS  40           1HD      HIS  40   6.156   1.137   8.858
   70    HD2  HIS  40           2HD      HIS  40   3.420   3.954  10.258
   71    HE1  HIS  40           1HE      HIS  40   5.089   0.133  10.923
   72    H    ASN  41           H        ASN  41   3.447   4.957   6.090
   73    HA   ASN  41           HA       ASN  41   0.936   3.391   6.482
   74   1HB   ASN  41          2HB       ASN  41  -0.049   5.730   6.403
   75   2HB   ASN  41          1HB       ASN  41   1.103   5.468   7.715
   76   1HD2  ASN  41          1HD2      ASN  41   2.884   6.874   7.797
   77   2HD2  ASN  41          2HD2      ASN  41   3.326   7.940   6.551
   78    H    LEU  42           H        LEU  42   2.993   3.821   4.030
   79    HA   LEU  42           HA       LEU  42   1.507   4.936   1.868
   80   1HB   LEU  42          1HB       LEU  42   3.933   4.430   1.913
   81   2HB   LEU  42          2HB       LEU  42   3.569   2.706   1.927
   82    HG   LEU  42           HG       LEU  42   2.166   3.313  -0.234
   83   1HD1  LEU  42          1HD1      LEU  42   4.347   5.283  -0.699
   84   2HD1  LEU  42          2HD1      LEU  42   3.014   5.816   0.326
   85   3HD1  LEU  42          3HD1      LEU  42   2.695   5.267  -1.319
   86   1HD2  LEU  42          1HD2      LEU  42   3.997   2.565  -1.546
   87   2HD2  LEU  42          2HD2      LEU  42   4.301   1.885   0.053
   88   3HD2  LEU  42          3HD2      LEU  42   5.179   3.322  -0.476
   89    H    GLY  43           H        GLY  43   1.435   1.757   3.379
   90   1HA   GLY  43          2HA       GLY  43   0.023   0.358   1.320
   91   2HA   GLY  43          1HA       GLY  43   0.025  -0.088   3.027
   92    H    GLN  44           H        GLN  44  -1.030   2.532   3.880
   93    HA   GLN  44           HA       GLN  44  -3.829   1.968   3.823
   94   1HB   GLN  44          1HB       GLN  44  -2.263   4.514   4.358
   95   2HB   GLN  44          2HB       GLN  44  -3.957   4.278   4.786
   96   1HG   GLN  44          2HG       GLN  44  -3.359   2.404   6.243
   97   2HG   GLN  44          1HG       GLN  44  -1.667   2.546   5.767
   98   1HE2  GLN  44          1HE2      GLN  44  -2.408   2.811   8.503
   99   2HE2  GLN  44          2HE2      GLN  44  -2.168   4.422   8.983
  100    H    HIS  45           H        HIS  45  -1.808   4.135   1.850
  101    HA   HIS  45           HA       HIS  45  -3.795   5.562   0.455
  102   1HB   HIS  45          1HB       HIS  45  -1.105   4.448  -0.393
  103   2HB   HIS  45          2HB       HIS  45  -2.007   5.632  -1.338
  104    HD1  HIS  45           1HD      HIS  45   0.734   6.408  -0.160
  105    HD2  HIS  45           2HD      HIS  45  -2.884   7.087   1.797
  106    HE1  HIS  45           1HE      HIS  45   1.152   8.287   1.486
  107    H    ILE  46           H        ILE  46  -2.503   2.301  -0.188
  108    HA   ILE  46           HA       ILE  46  -3.766   1.791  -2.673
  109    HB   ILE  46           HB       ILE  46  -3.120   0.000  -0.308
  110   1HG1  ILE  46          1HG1      ILE  46  -1.603   0.493  -2.886
  111   2HG1  ILE  46          2HG1      ILE  46  -1.240   1.304  -1.363
  112   1HG2  ILE  46          1HG2      ILE  46  -3.200  -1.067  -3.080
  113   2HG2  ILE  46          2HG2      ILE  46  -4.760  -0.725  -2.333
  114   3HG2  ILE  46          3HG2      ILE  46  -3.639  -1.847  -1.560
  115   1HD1  ILE  46          1HD1      ILE  46  -1.328  -1.318  -0.571
  116   2HD1  ILE  46          2HD1      ILE  46   0.152  -0.464  -1.011
  117   3HD1  ILE  46          3HD1      ILE  46  -0.673  -1.469  -2.201
  118    H    TYR  47           H        TYR  47  -4.981   1.210   0.643
  119    HA   TYR  47           HA       TYR  47  -7.440  -0.007   0.086
  120   1HB   TYR  47          1HB       TYR  47  -6.438   0.398   2.313
  121   2HB   TYR  47          2HB       TYR  47  -6.764   2.123   2.143
  122    HD1  TYR  47           1HD      TYR  47  -8.294  -1.220   2.559
  123    HD2  TYR  47           2HD      TYR  47  -9.001   3.014   2.380
  124    HE1  TYR  47           1HE      TYR  47 -10.587  -1.566   3.438
  125    HE2  TYR  47           2HE      TYR  47 -11.294   2.667   3.259
  126    HH   TYR  47           HH       TYR  47 -12.765  -0.385   3.403
  127    H    GLU  48           H        GLU  48  -6.618   3.461  -0.040
  128    HA   GLU  48           HA       GLU  48  -9.280   4.438  -0.475
  129   1HB   GLU  48          2HB       GLU  48  -6.526   5.459  -1.230
  130   2HB   GLU  48          1HB       GLU  48  -7.995   6.424  -1.365
  131   1HG   GLU  48          2HG       GLU  48  -8.411   6.043   1.074
  132   2HG   GLU  48          1HG       GLU  48  -6.856   5.215   1.173
  133    H    THR  49           H        THR  49  -6.818   3.144  -2.661
  134    HA   THR  49           HA       THR  49  -8.112   3.980  -5.120
  135    HB   THR  49           HB       THR  49  -6.385   2.707  -6.134
  136    HG1  THR  49           1HG      THR  49  -5.712   1.273  -3.866
  137   1HG2  THR  49          1HG2      THR  49  -4.590   3.718  -5.186
  138   2HG2  THR  49          2HG2      THR  49  -4.893   2.986  -3.610
  139   3HG2  THR  49          3HG2      THR  49  -5.778   4.432  -4.096
  140    H    TYR  50           H        TYR  50  -7.946   0.836  -3.411
  141    HA   TYR  50           HA       TYR  50  -9.834  -0.458  -5.199
  142   1HB   TYR  50          2HB       TYR  50  -8.653  -1.069  -2.478
  143   2HB   TYR  50          1HB       TYR  50  -9.726  -2.187  -3.321
  144    HD1  TYR  50           1HD      TYR  50  -8.976  -3.455  -5.218
  145    HD2  TYR  50           2HD      TYR  50  -6.459  -0.430  -3.495
  146    HE1  TYR  50           1HE      TYR  50  -7.065  -4.275  -6.568
  147    HE2  TYR  50           2HE      TYR  50  -4.548  -1.251  -4.848
  148    HH   TYR  50           HH       TYR  50  -4.732  -2.959  -7.443
  149    H    GLY  51           H        GLY  51 -10.088   1.470  -2.297
  150   1HA   GLY  51          1HA       GLY  51 -12.927   0.680  -1.924
  151   2HA   GLY  51          2HA       GLY  51 -11.974   1.639  -0.791
  152   1HN   NH2  52          1H        GLY  51 -11.076   3.785  -2.119
  153   2HN   NH2  52          2H        GLY  51 -12.316   4.641  -2.900
  Start of MODEL   14
    1   1H    ACE  33          1H        ACE  33   4.503  -5.940  10.864
    2   2H    ACE  33          2H        ACE  33   4.102  -5.702   9.163
    3   3H    ACE  33          3H        ACE  33   2.817  -5.943  10.348
    4    H    PHE  34           H        PHE  34   4.723  -4.126  12.114
    5    HA   PHE  34           HA       PHE  34   3.783  -1.516  10.949
    6   1HB   PHE  34          2HB       PHE  34   3.052  -2.895  13.348
    7   2HB   PHE  34          1HB       PHE  34   3.966  -1.461  13.814
    8    HD1  PHE  34           1HD      PHE  34   0.785  -2.699  12.794
    9    HD2  PHE  34           2HD      PHE  34   3.307   0.774  12.620
   10    HE1  PHE  34           1HE      PHE  34  -1.195  -1.285  12.318
   11    HE2  PHE  34           2HE      PHE  34   1.326   2.188  12.144
   12    HZ   PHE  34           HZ       PHE  34  -0.925   1.159  11.992
   13    HA   PRO  35           HA       PRO  35   8.311  -1.400  11.799
   14   1HB   PRO  35          2HB       PRO  35   8.982  -0.069   9.502
   15   2HB   PRO  35          1HB       PRO  35   8.883  -1.837   9.597
   16   1HG   PRO  35          2HG       PRO  35   6.916   0.123   8.517
   17   2HG   PRO  35          1HG       PRO  35   7.375  -1.470   7.899
   18   1HD   PRO  35          2HD       PRO  35   5.090  -1.005   9.311
   19   2HD   PRO  35          1HD       PRO  35   5.932  -2.568   9.299
   20    H    ARG  36           H        ARG  36   5.698   0.696  11.372
   21    HA   ARG  36           HA       ARG  36   5.308   2.916  12.048
   22   1HB   ARG  36          2HB       ARG  36   7.895   2.300  13.511
   23   2HB   ARG  36          1HB       ARG  36   6.839   3.666  13.871
   24   1HG   ARG  36          2HG       ARG  36   4.975   2.053  14.292
   25   2HG   ARG  36          1HG       ARG  36   6.113   0.726  14.052
   26   1HD   ARG  36          2HD       ARG  36   7.518   1.671  15.915
   27   2HD   ARG  36          1HD       ARG  36   6.237   2.862  16.210
   28    HE   ARG  36           HE       ARG  36   5.890  -0.103  16.459
   29   1HH1  ARG  36          1HH2      ARG  36   5.885   1.736  18.861
   30   2HH1  ARG  36          2HH2      ARG  36   4.187   1.942  19.137
   31   1HH2  ARG  36          1HH1      ARG  36   3.268   0.767  16.008
   32   2HH2  ARG  36          2HH1      ARG  36   2.705   1.393  17.522
   33    H    ILE  37           H        ILE  37   6.708   2.486   9.538
   34    HA   ILE  37           HA       ILE  37   8.527   4.880   9.542
   35    HB   ILE  37           HB       ILE  37   9.584   3.781   7.578
   36   1HG1  ILE  37          2HG1      ILE  37   8.612   1.149   7.813
   37   2HG1  ILE  37          1HG1      ILE  37   7.182   2.179   7.741
   38   1HG2  ILE  37          1HG2      ILE  37  10.229   1.602   8.968
   39   2HG2  ILE  37          2HG2      ILE  37   9.355   2.447  10.246
   40   3HG2  ILE  37          3HG2      ILE  37  10.756   3.203   9.488
   41   1HD1  ILE  37          1HD1      ILE  37   8.588   1.350   5.542
   42   2HD1  ILE  37          2HD1      ILE  37   9.325   2.924   5.850
   43   3HD1  ILE  37          3HD1      ILE  37   7.589   2.796   5.598
   44    H    TRP  38           H        TRP  38   8.550   5.919   7.217
   45    HA   TRP  38           HA       TRP  38   6.009   7.056   6.700
   46   1HB   TRP  38          2HB       TRP  38   7.146   8.019   4.755
   47   2HB   TRP  38          1HB       TRP  38   8.242   7.993   6.136
   48    HD1  TRP  38           HD       TRP  38  10.362   6.494   6.000
   49    HE1  TRP  38           1HE      TRP  38  11.431   5.095   4.118
   50    HE3  TRP  38           3HE      TRP  38   6.542   6.511   2.610
   51    HZ2  TRP  38           2HZ      TRP  38  10.753   4.109   1.522
   52    HZ3  TRP  38           3HZ      TRP  38   6.781   5.330   0.444
   53    HH2  TRP  38           HH       TRP  38   8.879   4.128  -0.098
   54    H    LEU  39           H        LEU  39   7.685   4.460   4.851
   55    HA   LEU  39           HA       LEU  39   5.772   4.132   2.800
   56   1HB   LEU  39          2HB       LEU  39   8.100   3.029   3.295
   57   2HB   LEU  39          1HB       LEU  39   7.143   1.797   4.119
   58    HG   LEU  39           HG       LEU  39   6.273   2.627   1.386
   59   1HD1  LEU  39          1HD1      LEU  39   7.895   1.323   0.260
   60   2HD1  LEU  39          2HD1      LEU  39   8.442   0.562   1.754
   61   3HD1  LEU  39          3HD1      LEU  39   8.834   2.250   1.429
   62   1HD2  LEU  39          1HD2      LEU  39   4.938   1.010   2.596
   63   2HD2  LEU  39          2HD2      LEU  39   6.364   0.045   2.973
   64   3HD2  LEU  39          3HD2      LEU  39   5.785   0.150   1.311
   65    H    HIS  40           H        HIS  40   5.809   2.721   6.082
   66    HA   HIS  40           HA       HIS  40   3.662   0.938   5.927
   67   1HB   HIS  40          1HB       HIS  40   5.184   1.519   7.883
   68   2HB   HIS  40          2HB       HIS  40   4.155   2.923   8.166
   69    HD1  HIS  40           1HD      HIS  40   3.597  -0.823   7.610
   70    HD2  HIS  40           2HD      HIS  40   2.132   2.317   9.927
   71    HE1  HIS  40           1HE      HIS  40   1.773  -1.800   9.073
   72    H    ASN  41           H        ASN  41   3.562   4.479   6.299
   73    HA   ASN  41           HA       ASN  41   0.640   4.578   6.435
   74   1HB   ASN  41          2HB       ASN  41   2.547   6.825   5.749
   75   2HB   ASN  41          1HB       ASN  41   1.012   6.926   6.610
   76   1HD2  ASN  41          1HD2      ASN  41   4.428   6.089   6.943
   77   2HD2  ASN  41          2HD2      ASN  41   4.413   5.934   8.634
   78    H    LEU  42           H        LEU  42   3.084   4.615   3.944
   79    HA   LEU  42           HA       LEU  42   1.522   5.826   1.837
   80   1HB   LEU  42          2HB       LEU  42   3.987   5.624   1.866
   81   2HB   LEU  42          1HB       LEU  42   3.844   3.867   1.808
   82    HG   LEU  42           HG       LEU  42   2.530   4.179  -0.358
   83   1HD1  LEU  42          1HD1      LEU  42   2.040   6.271  -1.028
   84   2HD1  LEU  42          2HD1      LEU  42   3.756   6.674  -1.061
   85   3HD1  LEU  42          3HD1      LEU  42   2.824   6.905   0.419
   86   1HD2  LEU  42          1HD2      LEU  42   5.275   5.321  -0.711
   87   2HD2  LEU  42          2HD2      LEU  42   4.488   4.009  -1.588
   88   3HD2  LEU  42          3HD2      LEU  42   5.124   3.729   0.033
   89    H    GLY  43           H        GLY  43   1.822   2.559   3.119
   90   1HA   GLY  43          2HA       GLY  43   0.562   1.185   0.931
   91   2HA   GLY  43          1HA       GLY  43   0.683   0.576   2.582
   92    H    GLN  44           H        GLN  44  -0.651   3.040   3.637
   93    HA   GLN  44           HA       GLN  44  -3.341   2.111   3.724
   94   1HB   GLN  44          1HB       GLN  44  -2.076   4.829   4.201
   95   2HB   GLN  44          2HB       GLN  44  -3.723   4.417   4.675
   96   1HG   GLN  44          2HG       GLN  44  -2.872   2.593   6.093
   97   2HG   GLN  44          1HG       GLN  44  -1.221   2.970   5.600
   98   1HE2  GLN  44          1HE2      GLN  44  -1.957   3.102   8.346
   99   2HE2  GLN  44          2HE2      GLN  44  -1.935   4.724   8.844
  100    H    HIS  45           H        HIS  45  -1.711   4.391   1.565
  101    HA   HIS  45           HA       HIS  45  -3.900   5.646   0.318
  102   1HB   HIS  45          2HB       HIS  45  -1.441   6.067   0.007
  103   2HB   HIS  45          1HB       HIS  45  -1.356   4.600  -0.968
  104    HD1  HIS  45           1HD      HIS  45  -2.227   4.712  -3.363
  105    HD2  HIS  45           2HD      HIS  45  -2.980   8.201  -1.209
  106    HE1  HIS  45           1HE      HIS  45  -3.061   6.422  -5.036
  107    H    ILE  46           H        ILE  46  -2.332   2.554  -0.582
  108    HA   ILE  46           HA       ILE  46  -3.882   1.837  -2.803
  109    HB   ILE  46           HB       ILE  46  -2.788   0.170  -0.513
  110   1HG1  ILE  46          1HG1      ILE  46  -1.638   0.786  -3.252
  111   2HG1  ILE  46          2HG1      ILE  46  -1.164   1.611  -1.767
  112   1HG2  ILE  46          1HG2      ILE  46  -3.975  -1.490  -1.520
  113   2HG2  ILE  46          2HG2      ILE  46  -2.713  -1.412  -2.749
  114   3HG2  ILE  46          3HG2      ILE  46  -4.230  -0.546  -2.987
  115   1HD1  ILE  46          1HD1      ILE  46   0.388  -0.030  -1.560
  116   2HD1  ILE  46          2HD1      ILE  46  -0.422  -1.060  -2.741
  117   3HD1  ILE  46          3HD1      ILE  46  -0.960  -1.052  -1.061
  118    H    TYR  47           H        TYR  47  -4.622   1.239   0.653
  119    HA   TYR  47           HA       TYR  47  -6.989  -0.222   0.450
  120   1HB   TYR  47          1HB       TYR  47  -5.779   0.476   2.522
  121   2HB   TYR  47          2HB       TYR  47  -6.398   2.113   2.300
  122    HD1  TYR  47           1HD      TYR  47  -8.689   2.669   2.790
  123    HD2  TYR  47           2HD      TYR  47  -7.337  -1.402   3.004
  124    HE1  TYR  47           1HE      TYR  47 -10.799   2.028   3.926
  125    HE2  TYR  47           2HE      TYR  47  -9.445  -2.044   4.141
  126    HH   TYR  47           HH       TYR  47 -11.994   0.369   4.780
  127    H    GLU  48           H        GLU  48  -6.581   3.310   0.117
  128    HA   GLU  48           HA       GLU  48  -9.367   3.952  -0.150
  129   1HB   GLU  48          2HB       GLU  48  -6.831   5.269  -1.176
  130   2HB   GLU  48          1HB       GLU  48  -8.412   6.051  -1.138
  131   1HG   GLU  48          2HG       GLU  48  -8.498   5.707   1.321
  132   2HG   GLU  48          1HG       GLU  48  -6.887   4.991   1.261
  133    H    THR  49           H        THR  49  -6.847   3.147  -2.542
  134    HA   THR  49           HA       THR  49  -8.363   3.634  -4.906
  135    HB   THR  49           HB       THR  49  -6.200   1.591  -4.299
  136    HG1  THR  49           1HG      THR  49  -6.154   4.290  -5.153
  137   1HG2  THR  49          1HG2      THR  49  -5.847   1.386  -6.608
  138   2HG2  THR  49          2HG2      THR  49  -6.719   2.875  -6.969
  139   3HG2  THR  49          3HG2      THR  49  -7.606   1.428  -6.490
  140    H    TYR  50           H        TYR  50  -7.907   0.593  -3.062
  141    HA   TYR  50           HA       TYR  50  -9.743  -0.929  -4.716
  142   1HB   TYR  50          2HB       TYR  50  -8.399  -1.271  -2.031
  143   2HB   TYR  50          1HB       TYR  50  -9.512  -2.487  -2.659
  144    HD1  TYR  50           1HD      TYR  50  -8.885  -3.945  -4.466
  145    HD2  TYR  50           2HD      TYR  50  -6.324  -0.696  -3.304
  146    HE1  TYR  50           1HE      TYR  50  -7.070  -4.867  -5.884
  147    HE2  TYR  50           2HE      TYR  50  -4.510  -1.619  -4.722
  148    HH   TYR  50           HH       TYR  50  -3.838  -3.416  -5.904
  149    H    GLY  51           H        GLY  51 -10.089   1.155  -1.927
  150   1HA   GLY  51          1HA       GLY  51 -11.966   1.723  -0.631
  151   2HA   GLY  51          2HA       GLY  51 -12.861   1.490  -2.132
  152   1HN   NH2  52          1H        GLY  51 -14.220  -0.330  -2.259
  153   2HN   NH2  52          2H        GLY  51 -14.279  -1.559  -1.091
  Start of MODEL   15
    1   1H    ACE  33          1H        ACE  33  16.795   2.646   3.420
    2   2H    ACE  33          2H        ACE  33  15.901   4.163   3.336
    3   3H    ACE  33          3H        ACE  33  15.256   2.715   2.562
    4    H    PHE  34           H        PHE  34  14.025   4.412   4.666
    5    HA   PHE  34           HA       PHE  34  13.777   2.346   6.829
    6   1HB   PHE  34          2HB       PHE  34  13.897   5.343   6.783
    7   2HB   PHE  34          1HB       PHE  34  12.971   4.558   8.062
    8    HD1  PHE  34           1HD      PHE  34  16.331   4.780   6.481
    9    HD2  PHE  34           2HD      PHE  34  14.056   3.408   9.858
   10    HE1  PHE  34           1HE      PHE  34  18.434   4.276   7.695
   11    HE2  PHE  34           2HE      PHE  34  16.160   2.906  11.071
   12    HZ   PHE  34           HZ       PHE  34  18.350   3.339   9.989
   13    HA   PRO  35           HA       PRO  35   9.746   2.581   4.624
   14   1HB   PRO  35          2HB       PRO  35   8.962   0.060   5.351
   15   2HB   PRO  35          1HB       PRO  35   9.958   0.389   3.921
   16   1HG   PRO  35          2HG       PRO  35  10.772  -0.565   6.625
   17   2HG   PRO  35          1HG       PRO  35  11.350  -1.073   5.031
   18   1HD   PRO  35          1HD       PRO  35  12.727   0.633   6.637
   19   2HD   PRO  35          2HD       PRO  35  12.817   0.687   4.864
   20    H    ARG  36           H        ARG  36  10.802   2.207   7.851
   21    HA   ARG  36           HA       ARG  36   8.266   1.861   9.184
   22   1HB   ARG  36          2HB       ARG  36  10.447   1.342  10.176
   23   2HB   ARG  36          1HB       ARG  36  10.924   3.036  10.053
   24   1HG   ARG  36          2HG       ARG  36   8.898   3.584  11.497
   25   2HG   ARG  36          1HG       ARG  36   8.742   1.850  11.785
   26   1HD   ARG  36          2HD       ARG  36  11.200   3.528  12.413
   27   2HD   ARG  36          1HD       ARG  36  10.052   2.881  13.600
   28    HE   ARG  36           HE       ARG  36  11.583   1.090  11.744
   29   1HH1  ARG  36          1HH2      ARG  36   9.331   0.372  13.823
   30   2HH1  ARG  36          2HH2      ARG  36  10.306  -0.356  15.054
   31   1HH2  ARG  36          1HH1      ARG  36  13.296   0.839  13.768
   32   2HH2  ARG  36          2HH1      ARG  36  12.551  -0.092  15.024
   33    H    ILE  37           H        ILE  37   9.842   4.643   7.755
   34    HA   ILE  37           HA       ILE  37   8.479   6.641   9.365
   35    HB   ILE  37           HB       ILE  37   9.302   8.133   7.479
   36   1HG1  ILE  37          2HG1      ILE  37  11.061   6.283   6.249
   37   2HG1  ILE  37          1HG1      ILE  37   9.448   5.572   6.175
   38   1HG2  ILE  37          1HG2      ILE  37  10.734   6.680   9.443
   39   2HG2  ILE  37          2HG2      ILE  37  11.196   8.204   8.687
   40   3HG2  ILE  37          3HG2      ILE  37  11.733   6.676   7.990
   41   1HD1  ILE  37          1HD1      ILE  37   9.776   8.471   5.506
   42   2HD1  ILE  37          2HD1      ILE  37   8.597   7.310   4.894
   43   3HD1  ILE  37          3HD1      ILE  37  10.263   7.270   4.311
   44    H    TRP  38           H        TRP  38   7.778   7.943   6.508
   45    HA   TRP  38           HA       TRP  38   4.954   7.427   6.755
   46   1HB   TRP  38          2HB       TRP  38   4.791   8.882   4.794
   47   2HB   TRP  38          1HB       TRP  38   5.968   9.535   5.928
   48    HD1  TRP  38           HD       TRP  38   8.241  10.117   4.968
   49    HE1  TRP  38           1HE      TRP  38   9.522   9.568   2.799
   50    HE3  TRP  38           3HE      TRP  38   5.012   6.768   2.863
   51    HZ2  TRP  38           2HZ      TRP  38   9.214   7.926   0.475
   52    HZ3  TRP  38           3HZ      TRP  38   5.528   5.731   0.673
   53    HH2  TRP  38           HH       TRP  38   7.621   6.305  -0.523
   54    H    LEU  39           H        LEU  39   7.473   5.734   5.108
   55    HA   LEU  39           HA       LEU  39   6.024   4.602   2.914
   56   1HB   LEU  39          1HB       LEU  39   8.405   3.926   4.603
   57   2HB   LEU  39          2HB       LEU  39   7.765   2.666   3.548
   58    HG   LEU  39           HG       LEU  39   7.766   4.785   1.840
   59   1HD1  LEU  39          1HD2      LEU  39   8.809   6.358   3.293
   60   2HD1  LEU  39          2HD2      LEU  39  10.082   5.818   2.201
   61   3HD1  LEU  39          3HD2      LEU  39   9.998   5.180   3.843
   62   1HD2  LEU  39          1HD1      LEU  39   8.966   3.207   0.773
   63   2HD2  LEU  39          2HD1      LEU  39   9.312   2.406   2.306
   64   3HD2  LEU  39          3HD1      LEU  39  10.380   3.680   1.716
   65    H    HIS  40           H        HIS  40   6.106   3.862   6.355
   66    HA   HIS  40           HA       HIS  40   4.890   1.279   6.310
   67   1HB   HIS  40          2HB       HIS  40   6.039   2.413   8.222
   68   2HB   HIS  40          1HB       HIS  40   4.671   3.517   8.354
   69    HD1  HIS  40           1HD      HIS  40   2.546   2.648   9.474
   70    HD2  HIS  40           2HD      HIS  40   5.413  -0.329   8.926
   71    HE1  HIS  40           1HE      HIS  40   1.722   0.617  10.743
   72    H    ASN  41           H        ASN  41   3.494   4.554   6.356
   73    HA   ASN  41           HA       ASN  41   0.740   3.518   6.459
   74   1HB   ASN  41          2HB       ASN  41   0.198   5.911   6.459
   75   2HB   ASN  41          1HB       ASN  41   1.520   5.606   7.585
   76   1HD2  ASN  41          1HD2      ASN  41   2.734   7.533   7.414
   77   2HD2  ASN  41          2HD2      ASN  41   3.366   8.128   5.955
   78    H    LEU  42           H        LEU  42   3.077   4.325   4.032
   79    HA   LEU  42           HA       LEU  42   1.666   5.268   1.849
   80   1HB   LEU  42          1HB       LEU  42   4.075   4.642   1.940
   81   2HB   LEU  42          2HB       LEU  42   3.614   2.940   1.897
   82    HG   LEU  42           HG       LEU  42   2.382   3.459  -0.272
   83   1HD1  LEU  42          1HD1      LEU  42   2.815   6.065   0.438
   84   2HD1  LEU  42          2HD1      LEU  42   2.463   5.535  -1.207
   85   3HD1  LEU  42          3HD1      LEU  42   4.132   5.800  -0.705
   86   1HD2  LEU  42          1HD2      LEU  42   5.387   3.777  -0.068
   87   2HD2  LEU  42          2HD2      LEU  42   4.542   3.563  -1.600
   88   3HD2  LEU  42          3HD2      LEU  42   4.485   2.294  -0.378
   89    H    GLY  43           H        GLY  43   1.783   1.884   2.946
   90   1HA   GLY  43          2HA       GLY  43   0.230   0.665   0.967
   91   2HA   GLY  43          1HA       GLY  43   0.218   0.151   2.654
   92    H    GLN  44           H        GLN  44  -0.841   2.689   3.661
   93    HA   GLN  44           HA       GLN  44  -3.636   2.168   3.548
   94   1HB   GLN  44          2HB       GLN  44  -2.024   4.656   4.193
   95   2HB   GLN  44          1HB       GLN  44  -3.744   4.489   4.539
   96   1HG   GLN  44          2HG       GLN  44  -3.294   2.545   5.964
   97   2HG   GLN  44          1HG       GLN  44  -1.574   2.642   5.581
   98   1HE2  GLN  44          1HE2      GLN  44  -2.421   2.857   8.279
   99   2HE2  GLN  44          2HE2      GLN  44  -2.167   4.449   8.814
  100    H    HIS  45           H        HIS  45  -1.571   4.221   1.537
  101    HA   HIS  45           HA       HIS  45  -3.487   5.819   0.231
  102   1HB   HIS  45          1HB       HIS  45  -0.980   5.877   0.038
  103   2HB   HIS  45          2HB       HIS  45  -1.071   4.439  -0.981
  104    HD1  HIS  45           1HD      HIS  45  -1.778   4.752  -3.407
  105    HD2  HIS  45           2HD      HIS  45  -2.181   8.239  -1.160
  106    HE1  HIS  45           1HE      HIS  45  -2.294   6.608  -5.051
  107    H    ILE  46           H        ILE  46  -2.435   2.495  -0.570
  108    HA   ILE  46           HA       ILE  46  -4.078   2.191  -2.894
  109    HB   ILE  46           HB       ILE  46  -2.086   0.815  -1.830
  110   1HG1  ILE  46          1HG1      ILE  46  -4.330  -0.706  -3.170
  111   2HG1  ILE  46          2HG1      ILE  46  -3.320   0.453  -4.032
  112   1HG2  ILE  46          1HG2      ILE  46  -2.647  -1.011  -0.481
  113   2HG2  ILE  46          2HG2      ILE  46  -4.346  -0.963  -0.953
  114   3HG2  ILE  46          3HG2      ILE  46  -3.705   0.248   0.156
  115   1HD1  ILE  46          1HD1      ILE  46  -2.553  -1.972  -4.165
  116   2HD1  ILE  46          2HD1      ILE  46  -2.174  -1.858  -2.447
  117   3HD1  ILE  46          3HD1      ILE  46  -1.335  -0.825  -3.605
  118    H    TYR  47           H        TYR  47  -4.734   1.733   0.562
  119    HA   TYR  47           HA       TYR  47  -7.085   0.255   0.593
  120   1HB   TYR  47          1HB       TYR  47  -5.844   1.351   2.507
  121   2HB   TYR  47          2HB       TYR  47  -6.616   2.872   2.060
  122    HD1  TYR  47           1HD      TYR  47  -7.280  -0.618   3.179
  123    HD2  TYR  47           2HD      TYR  47  -8.877   3.335   2.653
  124    HE1  TYR  47           1HE      TYR  47  -9.302  -1.263   4.462
  125    HE2  TYR  47           2HE      TYR  47 -10.898   2.689   3.935
  126    HH   TYR  47           HH       TYR  47 -11.718   1.105   5.398
  127    H    GLU  48           H        GLU  48  -6.852   3.786   0.044
  128    HA   GLU  48           HA       GLU  48  -9.545   4.391  -0.442
  129   1HB   GLU  48          2HB       GLU  48  -7.010   5.376  -1.794
  130   2HB   GLU  48          1HB       GLU  48  -8.566   6.201  -1.886
  131   1HG   GLU  48          2HG       GLU  48  -8.580   6.332   0.619
  132   2HG   GLU  48          1HG       GLU  48  -6.953   5.652   0.622
  133    H    THR  49           H        THR  49  -7.118   3.152  -2.758
  134    HA   THR  49           HA       THR  49  -8.877   3.084  -5.036
  135    HB   THR  49           HB       THR  49  -6.400   1.467  -4.352
  136    HG1  THR  49           1HG      THR  49  -5.297   3.150  -5.226
  137   1HG2  THR  49          1HG2      THR  49  -7.574   0.539  -6.273
  138   2HG2  THR  49          2HG2      THR  49  -6.135   1.391  -6.833
  139   3HG2  THR  49          3HG2      THR  49  -7.723   2.143  -6.992
  140    H    TYR  50           H        TYR  50  -8.149   0.761  -2.456
  141    HA   TYR  50           HA       TYR  50  -9.515  -1.488  -3.678
  142   1HB   TYR  50          1HB       TYR  50  -8.659  -0.745  -0.868
  143   2HB   TYR  50          2HB       TYR  50  -9.396  -2.298  -1.252
  144    HD1  TYR  50           1HD      TYR  50  -6.901  -2.674  -0.120
  145    HD2  TYR  50           2HD      TYR  50  -7.721  -1.461  -4.160
  146    HE1  TYR  50           1HE      TYR  50  -4.691  -3.543  -0.831
  147    HE2  TYR  50           2HE      TYR  50  -5.512  -2.332  -4.868
  148    HH   TYR  50           HH       TYR  50  -3.821  -3.853  -4.166
  149    H    GLY  51           H        GLY  51 -10.520   1.284  -1.793
  150   1HA   GLY  51          2HA       GLY  51 -12.740   2.070  -1.491
  151   2HA   GLY  51          1HA       GLY  51 -13.337   0.580  -2.218
  152   1HN   NH2  52          1H        GLY  51 -11.045  -0.143   0.182
  153   2HN   NH2  52          2H        GLY  51 -12.118  -0.474   1.456
  Start of MODEL   16
    1   1H    ACE  33          1H        ACE  33  15.828   4.729  11.985
    2   2H    ACE  33          2H        ACE  33  15.362   3.690  10.637
    3   3H    ACE  33          3H        ACE  33  14.723   3.380  12.252
    4    H    PHE  34           H        PHE  34  12.621   3.523  10.947
    5    HA   PHE  34           HA       PHE  34  11.736   6.390  10.758
    6   1HB   PHE  34          2HB       PHE  34  10.479   5.791   8.835
    7   2HB   PHE  34          1HB       PHE  34  12.021   4.970   8.624
    8    HD1  PHE  34           1HD      PHE  34  12.213   2.521   9.182
    9    HD2  PHE  34           2HD      PHE  34   8.439   4.579   9.090
   10    HE1  PHE  34           1HE      PHE  34  11.029   0.345   9.058
   11    HE2  PHE  34           2HE      PHE  34   7.257   2.401   8.965
   12    HZ   PHE  34           HZ       PHE  34   8.551   0.285   8.950
   13    HA   PRO  35           HA       PRO  35   9.177   4.709  14.025
   14   1HB   PRO  35          2HB       PRO  35   8.212   7.133  14.855
   15   2HB   PRO  35          1HB       PRO  35   9.780   6.491  15.380
   16   1HG   PRO  35          2HG       PRO  35   9.157   8.508  13.275
   17   2HG   PRO  35          1HG       PRO  35  10.476   8.482  14.456
   18   1HD   PRO  35          2HD       PRO  35  10.792   7.771  11.849
   19   2HD   PRO  35          1HD       PRO  35  11.770   7.093  13.167
   20    H    ARG  36           H        ARG  36   8.328   7.266  11.707
   21    HA   ARG  36           HA       ARG  36   5.886   5.824  10.911
   22   1HB   ARG  36          2HB       ARG  36   5.841   8.434  12.452
   23   2HB   ARG  36          1HB       ARG  36   4.456   7.817  11.555
   24   1HG   ARG  36          2HG       ARG  36   4.670   5.684  12.927
   25   2HG   ARG  36          1HG       ARG  36   5.826   6.555  13.937
   26   1HD   ARG  36          2HD       ARG  36   4.027   8.353  14.219
   27   2HD   ARG  36          1HD       ARG  36   2.896   7.187  13.505
   28    HE   ARG  36           HE       ARG  36   4.557   6.522  15.914
   29   1HH1  ARG  36          1HH2      ARG  36   1.474   7.323  14.799
   30   2HH1  ARG  36          2HH2      ARG  36   0.656   6.047  15.639
   31   1HH2  ARG  36          1HH1      ARG  36   3.580   4.518  16.706
   32   2HH2  ARG  36          2HH1      ARG  36   1.849   4.458  16.718
   33    H    ILE  37           H        ILE  37   7.088   6.056   8.813
   34    HA   ILE  37           HA       ILE  37   6.980   8.859   7.751
   35    HB   ILE  37           HB       ILE  37   8.798   8.160   6.285
   36   1HG1  ILE  37          2HG1      ILE  37   9.249   5.527   7.457
   37   2HG1  ILE  37          1HG1      ILE  37   7.700   5.617   6.620
   38   1HG2  ILE  37          1HG2      ILE  37   9.381   8.857   8.582
   39   2HG2  ILE  37          2HG2      ILE  37  10.502   7.631   7.991
   40   3HG2  ILE  37          3HG2      ILE  37   9.229   7.187   9.127
   41   1HD1  ILE  37          1HD1      ILE  37   8.763   6.380   4.591
   42   2HD1  ILE  37          2HD1      ILE  37   9.640   4.952   5.141
   43   3HD1  ILE  37          3HD1      ILE  37  10.313   6.559   5.410
   44    H    TRP  38           H        TRP  38   6.415   8.997   5.396
   45    HA   TRP  38           HA       TRP  38   3.948   8.055   4.665
   46   1HB   TRP  38          2HB       TRP  38   4.681   8.443   2.348
   47   2HB   TRP  38          1HB       TRP  38   5.368   9.663   3.419
   48    HD1  TRP  38           HD       TRP  38   7.961   9.406   4.079
   49    HE1  TRP  38           1HE      TRP  38   9.910   8.255   2.845
   50    HE3  TRP  38           3HE      TRP  38   5.335   6.495   0.807
   51    HZ2  TRP  38           2HZ      TRP  38  10.302   6.348   0.747
   52    HZ3  TRP  38           3HZ      TRP  38   6.519   5.021  -0.796
   53    HH2  TRP  38           HH       TRP  38   8.996   4.944  -0.830
   54    H    LEU  39           H        LEU  39   7.010   6.295   4.027
   55    HA   LEU  39           HA       LEU  39   5.971   4.091   2.612
   56   1HB   LEU  39          2HB       LEU  39   8.376   4.759   3.191
   57   2HB   LEU  39          1HB       LEU  39   8.111   3.970   4.747
   58    HG   LEU  39           HG       LEU  39   7.411   2.458   2.261
   59   1HD1  LEU  39          1HD1      LEU  39  10.219   2.946   3.292
   60   2HD1  LEU  39          2HD1      LEU  39   9.604   3.284   1.674
   61   3HD1  LEU  39          3HD1      LEU  39   9.794   1.615   2.214
   62   1HD2  LEU  39          1HD2      LEU  39   8.016   1.965   5.107
   63   2HD2  LEU  39          2HD2      LEU  39   8.740   0.803   3.996
   64   3HD2  LEU  39          3HD2      LEU  39   6.994   1.050   3.999
   65    H    HIS  40           H        HIS  40   6.212   4.584   6.139
   66    HA   HIS  40           HA       HIS  40   5.255   2.038   6.977
   67   1HB   HIS  40          1HB       HIS  40   6.320   3.908   8.324
   68   2HB   HIS  40          2HB       HIS  40   4.765   4.738   8.267
   69    HD1  HIS  40           1HD      HIS  40   5.850   1.159   9.058
   70    HD2  HIS  40           2HD      HIS  40   3.335   4.135  10.539
   71    HE1  HIS  40           1HE      HIS  40   4.729   0.192  11.111
   72    H    ASN  41           H        ASN  41   3.519   5.028   6.169
   73    HA   ASN  41           HA       ASN  41   0.910   3.636   6.526
   74   1HB   ASN  41          2HB       ASN  41   0.096   6.044   6.168
   75   2HB   ASN  41          1HB       ASN  41   1.072   5.766   7.610
   76   1HD2  ASN  41          1HD2      ASN  41   3.265   6.639   7.639
   77   2HD2  ASN  41          2HD2      ASN  41   3.799   7.756   6.478
   78    H    LEU  42           H        LEU  42   3.110   3.873   4.127
   79    HA   LEU  42           HA       LEU  42   1.754   4.856   1.838
   80   1HB   LEU  42          1HB       LEU  42   4.160   4.243   2.051
   81   2HB   LEU  42          2HB       LEU  42   3.699   2.542   2.111
   82    HG   LEU  42           HG       LEU  42   2.523   2.936  -0.131
   83   1HD1  LEU  42          1HD1      LEU  42   4.370   5.312  -0.330
   84   2HD1  LEU  42          2HD1      LEU  42   2.712   5.502   0.239
   85   3HD1  LEU  42          3HD1      LEU  42   3.022   4.874  -1.379
   86   1HD2  LEU  42          1HD2      LEU  42   5.510   3.397  -0.208
   87   2HD2  LEU  42          2HD2      LEU  42   4.521   2.485  -1.349
   88   3HD2  LEU  42          3HD2      LEU  42   4.812   1.849   0.271
   89    H    GLY  43           H        GLY  43   1.654   1.678   3.405
   90   1HA   GLY  43          1HA       GLY  43   0.217   0.252   1.424
   91   2HA   GLY  43          2HA       GLY  43   0.143  -0.101   3.151
   92    H    GLN  44           H        GLN  44  -0.929   2.452   3.960
   93    HA   GLN  44           HA       GLN  44  -3.713   1.995   3.778
   94   1HB   GLN  44          2HB       GLN  44  -2.103   4.531   4.221
   95   2HB   GLN  44          1HB       GLN  44  -3.823   4.372   4.583
   96   1HG   GLN  44          2HG       GLN  44  -3.329   2.536   6.153
   97   2HG   GLN  44          1HG       GLN  44  -1.610   2.675   5.783
   98   1HE2  GLN  44          1HE2      GLN  44  -2.549   3.071   8.449
   99   2HE2  GLN  44          2HE2      GLN  44  -2.350   4.706   8.858
  100    H    HIS  45           H        HIS  45  -1.630   4.109   1.788
  101    HA   HIS  45           HA       HIS  45  -3.581   5.405   0.231
  102   1HB   HIS  45          2HB       HIS  45  -0.857   4.285  -0.509
  103   2HB   HIS  45          1HB       HIS  45  -1.736   5.475  -1.470
  104    HD1  HIS  45           1HD      HIS  45  -1.659   7.897  -0.694
  105    HD2  HIS  45           2HD      HIS  45  -0.039   5.270   2.104
  106    HE1  HIS  45           1HE      HIS  45  -0.583   9.331   1.096
  107    H    ILE  46           H        ILE  46  -2.259   2.120  -0.103
  108    HA   ILE  46           HA       ILE  46  -3.398   1.432  -2.617
  109    HB   ILE  46           HB       ILE  46  -2.887  -0.227  -0.124
  110   1HG1  ILE  46          1HG1      ILE  46  -1.129   0.357  -2.529
  111   2HG1  ILE  46          2HG1      ILE  46  -0.925   1.064  -0.926
  112   1HG2  ILE  46          1HG2      ILE  46  -4.289  -1.094  -2.240
  113   2HG2  ILE  46          2HG2      ILE  46  -3.142  -2.134  -1.395
  114   3HG2  ILE  46          3HG2      ILE  46  -2.667  -1.327  -2.890
  115   1HD1  ILE  46          1HD1      ILE  46   0.316  -1.224  -1.747
  116   2HD1  ILE  46          2HD1      ILE  46  -1.124  -1.887  -0.976
  117   3HD1  ILE  46          3HD1      ILE  46  -0.033  -0.849  -0.060
  118    H    TYR  47           H        TYR  47  -4.762   1.321   0.671
  119    HA   TYR  47           HA       TYR  47  -7.187  -0.045   0.108
  120   1HB   TYR  47          1HB       TYR  47  -6.286   0.493   2.344
  121   2HB   TYR  47          2HB       TYR  47  -6.566   2.207   2.049
  122    HD1  TYR  47           1HD      TYR  47  -8.166  -1.059   2.673
  123    HD2  TYR  47           2HD      TYR  47  -8.812   3.146   2.087
  124    HE1  TYR  47           1HE      TYR  47 -10.496  -1.305   3.484
  125    HE2  TYR  47           2HE      TYR  47 -11.143   2.900   2.898
  126    HH   TYR  47           HH       TYR  47 -12.615   1.522   3.866
  127    H    GLU  48           H        GLU  48  -6.283   3.361  -0.314
  128    HA   GLU  48           HA       GLU  48  -8.884   4.421  -0.844
  129   1HB   GLU  48          2HB       GLU  48  -6.077   5.155  -1.712
  130   2HB   GLU  48          1HB       GLU  48  -7.477   6.169  -2.063
  131   1HG   GLU  48          2HG       GLU  48  -6.454   5.347   0.668
  132   2HG   GLU  48          1HG       GLU  48  -6.486   6.973  -0.011
  133    H    THR  49           H        THR  49  -9.994   4.703  -2.817
  134    HA   THR  49           HA       THR  49 -10.581   4.306  -5.081
  135    HB   THR  49           HB       THR  49  -7.838   3.111  -5.452
  136    HG1  THR  49           1HG      THR  49  -8.342   5.875  -5.575
  137   1HG2  THR  49          1HG2      THR  49  -9.057   5.086  -7.305
  138   2HG2  THR  49          2HG2      THR  49  -9.858   3.518  -7.196
  139   3HG2  THR  49          3HG2      THR  49  -8.159   3.610  -7.661
  140    H    TYR  50           H        TYR  50  -8.438   1.690  -3.881
  141    HA   TYR  50           HA       TYR  50  -9.937  -0.406  -5.207
  142   1HB   TYR  50          2HB       TYR  50  -7.925  -0.399  -2.935
  143   2HB   TYR  50          1HB       TYR  50  -8.454  -1.843  -3.795
  144    HD1  TYR  50           1HD      TYR  50  -8.662   0.264  -6.384
  145    HD2  TYR  50           2HD      TYR  50  -5.615  -1.244  -3.755
  146    HE1  TYR  50           1HE      TYR  50  -6.950   0.672  -8.131
  147    HE2  TYR  50           2HE      TYR  50  -3.906  -0.834  -5.503
  148    HH   TYR  50           HH       TYR  50  -4.026   1.062  -7.784
  149    H    GLY  51           H        GLY  51 -10.160   1.170  -2.078
  150   1HA   GLY  51          1HA       GLY  51 -11.993  -0.919  -1.057
  151   2HA   GLY  51          2HA       GLY  51 -11.393   0.460  -0.139
  152   1HN   NH2  52          1H        GLY  51 -13.975  -0.668  -2.200
  153   2HN   NH2  52          2H        GLY  51 -14.881   0.767  -2.190
  Start of MODEL   17
    1   1H    ACE  33          1H        ACE  33   2.488  -1.809  14.907
    2   2H    ACE  33          2H        ACE  33   4.248  -1.737  14.811
    3   3H    ACE  33          3H        ACE  33   3.386  -3.133  14.163
    4    H    PHE  34           H        PHE  34   1.265  -1.353  13.018
    5    HA   PHE  34           HA       PHE  34   2.186  -1.095  10.377
    6   1HB   PHE  34          2HB       PHE  34   0.025   0.186  12.034
    7   2HB   PHE  34          1HB       PHE  34   0.242   0.670  10.352
    8    HD1  PHE  34           1HD      PHE  34  -2.032  -0.258   9.849
    9    HD2  PHE  34           2HD      PHE  34   1.176  -2.730  11.285
   10    HE1  PHE  34           1HE      PHE  34  -3.256  -2.282   9.102
   11    HE2  PHE  34           2HE      PHE  34  -0.048  -4.753  10.538
   12    HZ   PHE  34           HZ       PHE  34  -2.263  -4.529   9.447
   13    HA   PRO  35           HA       PRO  35   3.355   3.381  11.303
   14   1HB   PRO  35          2HB       PRO  35   3.669   4.185  13.899
   15   2HB   PRO  35          1HB       PRO  35   2.136   4.324  13.019
   16   1HG   PRO  35          2HG       PRO  35   3.008   2.297  15.013
   17   2HG   PRO  35          1HG       PRO  35   1.422   3.046  14.785
   18   1HD   PRO  35          2HD       PRO  35   2.057   0.532  13.925
   19   2HD   PRO  35          1HD       PRO  35   0.810   1.545  13.171
   20    H    ARG  36           H        ARG  36   4.685   0.574  12.248
   21    HA   ARG  36           HA       ARG  36   7.111   1.326  13.595
   22   1HB   ARG  36          2HB       ARG  36   6.117  -0.958  13.438
   23   2HB   ARG  36          1HB       ARG  36   6.513  -0.987  11.719
   24   1HG   ARG  36          2HG       ARG  36   8.884  -0.804  12.207
   25   2HG   ARG  36          1HG       ARG  36   8.552  -0.580  13.926
   26   1HD   ARG  36          2HD       ARG  36   9.207  -2.915  13.521
   27   2HD   ARG  36          1HD       ARG  36   7.487  -2.866  13.952
   28    HE   ARG  36           HE       ARG  36   8.319  -2.804  11.077
   29   1HH1  ARG  36          1HH1      ARG  36   7.978  -5.365  12.958
   30   2HH1  ARG  36          2HH1      ARG  36   6.469  -5.943  12.336
   31   1HH2  ARG  36          1HH2      ARG  36   5.768  -3.030  10.590
   32   2HH2  ARG  36          2HH2      ARG  36   5.218  -4.621  10.995
   33    H    ILE  37           H        ILE  37   6.262   0.967  10.142
   34    HA   ILE  37           HA       ILE  37   8.841   2.328   9.484
   35    HB   ILE  37           HB       ILE  37   8.685  -0.106   8.922
   36   1HG1  ILE  37          2HG1      ILE  37   9.940   1.786   7.579
   37   2HG1  ILE  37          1HG1      ILE  37   9.843   0.153   6.926
   38   1HG2  ILE  37          1HG2      ILE  37   7.190  -0.812   7.134
   39   2HG2  ILE  37          2HG2      ILE  37   6.570   0.830   6.966
   40   3HG2  ILE  37          3HG2      ILE  37   6.246  -0.089   8.436
   41   1HD1  ILE  37          1HD1      ILE  37   8.331   0.748   5.294
   42   2HD1  ILE  37          2HD1      ILE  37   9.194   2.278   5.451
   43   3HD1  ILE  37          3HD1      ILE  37   7.638   2.055   6.253
   44    H    TRP  38           H        TRP  38   8.628   4.217   8.406
   45    HA   TRP  38           HA       TRP  38   6.216   5.568   8.004
   46   1HB   TRP  38          2HB       TRP  38   7.577   7.110   6.692
   47   2HB   TRP  38          1HB       TRP  38   8.532   6.494   8.039
   48    HD1  TRP  38           HD       TRP  38  10.609   5.015   7.510
   49    HE1  TRP  38           1HE      TRP  38  11.826   4.381   5.328
   50    HE3  TRP  38           3HE      TRP  38   7.165   6.599   4.085
   51    HZ2  TRP  38           2HZ      TRP  38  11.396   4.524   2.504
   52    HZ3  TRP  38           3HZ      TRP  38   7.595   6.337   1.659
   53    HH2  TRP  38           HH       TRP  38   9.702   5.302   0.867
   54    H    LEU  39           H        LEU  39   8.049   3.764   5.470
   55    HA   LEU  39           HA       LEU  39   6.419   4.287   3.265
   56   1HB   LEU  39          2HB       LEU  39   8.543   2.820   3.562
   57   2HB   LEU  39          1HB       LEU  39   7.414   1.516   3.928
   58    HG   LEU  39           HG       LEU  39   6.910   3.162   1.486
   59   1HD1  LEU  39          1HD1      LEU  39   9.424   2.265   1.774
   60   2HD1  LEU  39          2HD1      LEU  39   8.591   2.226   0.219
   61   3HD1  LEU  39          3HD1      LEU  39   8.672   0.771   1.212
   62   1HD2  LEU  39          1HD2      LEU  39   5.338   1.399   2.253
   63   2HD2  LEU  39          2HD2      LEU  39   6.634   0.211   2.143
   64   3HD2  LEU  39          3HD2      LEU  39   6.040   1.005   0.685
   65    H    HIS  40           H        HIS  40   5.748   2.260   6.058
   66    HA   HIS  40           HA       HIS  40   3.529   0.788   5.024
   67   1HB   HIS  40          2HB       HIS  40   4.752   0.359   7.153
   68   2HB   HIS  40          1HB       HIS  40   4.056   1.828   7.831
   69    HD1  HIS  40           1HD      HIS  40   2.851  -1.406   6.195
   70    HD2  HIS  40           2HD      HIS  40   1.589   1.380   9.027
   71    HE1  HIS  40           1HE      HIS  40   0.657  -2.268   7.118
   72    H    ASN  41           H        ASN  41   3.844   4.096   6.150
   73    HA   ASN  41           HA       ASN  41   1.039   4.631   6.583
   74   1HB   ASN  41          2HB       ASN  41   3.123   6.621   5.667
   75   2HB   ASN  41          1HB       ASN  41   1.781   6.881   6.779
   76   1HD2  ASN  41          1HD2      ASN  41   2.502   4.149   8.079
   77   2HD2  ASN  41          2HD2      ASN  41   3.828   4.515   9.072
   78    H    LEU  42           H        LEU  42   3.134   4.605   3.759
   79    HA   LEU  42           HA       LEU  42   1.362   6.030   1.973
   80   1HB   LEU  42          1HB       LEU  42   3.702   4.135   1.691
   81   2HB   LEU  42          2HB       LEU  42   2.881   4.801   0.278
   82    HG   LEU  42           HG       LEU  42   3.235   7.103   1.420
   83   1HD1  LEU  42          1HD1      LEU  42   5.586   6.755   2.714
   84   2HD1  LEU  42          2HD1      LEU  42   4.782   5.248   3.150
   85   3HD1  LEU  42          3HD1      LEU  42   4.032   6.794   3.546
   86   1HD2  LEU  42          1HD2      LEU  42   5.920   6.137   0.729
   87   2HD2  LEU  42          2HD2      LEU  42   4.929   7.363  -0.063
   88   3HD2  LEU  42          3HD2      LEU  42   4.687   5.657  -0.437
   89    H    GLY  43           H        GLY  43   1.692   2.666   2.970
   90   1HA   GLY  43          2HA       GLY  43   0.208   1.398   0.919
   91   2HA   GLY  43          1HA       GLY  43   0.299   0.815   2.582
   92    H    GLN  44           H        GLN  44  -0.885   3.152   3.798
   93    HA   GLN  44           HA       GLN  44  -3.611   2.509   3.854
   94   1HB   GLN  44          2HB       GLN  44  -2.167   5.151   4.246
   95   2HB   GLN  44          1HB       GLN  44  -3.831   4.855   4.754
   96   1HG   GLN  44          2HG       GLN  44  -3.045   2.975   6.171
   97   2HG   GLN  44          1HG       GLN  44  -1.384   3.325   5.692
   98   1HE2  GLN  44          1HE2      GLN  44  -2.024   3.487   8.419
   99   2HE2  GLN  44          2HE2      GLN  44  -2.034   5.112   8.911
  100    H    HIS  45           H        HIS  45  -1.920   4.783   1.698
  101    HA   HIS  45           HA       HIS  45  -4.190   5.950   0.446
  102   1HB   HIS  45          2HB       HIS  45  -1.807   6.673   0.268
  103   2HB   HIS  45          1HB       HIS  45  -1.475   5.253  -0.724
  104    HD1  HIS  45           1HD      HIS  45  -3.955   8.165  -0.750
  105    HD2  HIS  45           2HD      HIS  45  -1.801   5.784  -3.409
  106    HE1  HIS  45           1HE      HIS  45  -4.451   9.052  -3.070
  107    H    ILE  46           H        ILE  46  -2.480   2.901  -0.203
  108    HA   ILE  46           HA       ILE  46  -3.815   2.250  -2.659
  109    HB   ILE  46           HB       ILE  46  -2.649   0.482  -0.481
  110   1HG1  ILE  46          2HG1      ILE  46  -0.961   2.040  -1.156
  111   2HG1  ILE  46          1HG1      ILE  46  -0.634   0.555  -2.051
  112   1HG2  ILE  46          1HG2      ILE  46  -2.165  -0.811  -2.796
  113   2HG2  ILE  46          2HG2      ILE  46  -3.665   0.004  -3.236
  114   3HG2  ILE  46          3HG2      ILE  46  -3.626  -1.083  -1.848
  115   1HD1  ILE  46          1HD1      ILE  46  -0.501   2.195  -3.725
  116   2HD1  ILE  46          2HD1      ILE  46  -1.831   3.133  -3.044
  117   3HD1  ILE  46          3HD1      ILE  46  -2.160   1.618  -3.887
  118    H    TYR  47           H        TYR  47  -4.597   1.604   0.753
  119    HA   TYR  47           HA       TYR  47  -6.698  -0.210   0.571
  120   1HB   TYR  47          1HB       TYR  47  -5.742   0.848   2.623
  121   2HB   TYR  47          2HB       TYR  47  -6.589   2.341   2.218
  122    HD1  TYR  47           1HD      TYR  47  -7.049  -1.227   3.147
  123    HD2  TYR  47           2HD      TYR  47  -8.936   2.597   2.622
  124    HE1  TYR  47           1HE      TYR  47  -9.093  -2.082   4.260
  125    HE2  TYR  47           2HE      TYR  47 -10.982   1.740   3.734
  126    HH   TYR  47           HH       TYR  47 -11.688   0.016   5.201
  127    H    GLU  48           H        GLU  48  -6.942   3.344   0.197
  128    HA   GLU  48           HA       GLU  48  -9.721   3.464  -0.407
  129   1HB   GLU  48          2HB       GLU  48  -7.355   5.163  -1.257
  130   2HB   GLU  48          1HB       GLU  48  -9.037   5.654  -1.449
  131   1HG   GLU  48          2HG       GLU  48  -9.352   5.371   1.017
  132   2HG   GLU  48          1HG       GLU  48  -7.631   5.018   1.163
  133    H    THR  49           H        THR  49  -6.895   2.904  -2.490
  134    HA   THR  49           HA       THR  49  -8.281   3.045  -5.006
  135    HB   THR  49           HB       THR  49  -5.804   1.500  -4.168
  136    HG1  THR  49           1HG      THR  49  -6.097   4.123  -5.204
  137   1HG2  THR  49          1HG2      THR  49  -6.458   2.650  -6.883
  138   2HG2  THR  49          2HG2      THR  49  -6.884   0.998  -6.437
  139   3HG2  THR  49          3HG2      THR  49  -5.192   1.496  -6.466
  140    H    TYR  50           H        TYR  50  -7.618   0.376  -2.749
  141    HA   TYR  50           HA       TYR  50  -9.232  -1.450  -4.486
  142   1HB   TYR  50          2HB       TYR  50  -7.261  -1.921  -2.225
  143   2HB   TYR  50          1HB       TYR  50  -8.100  -3.204  -3.097
  144    HD1  TYR  50           1HD      TYR  50  -5.350  -0.832  -3.160
  145    HD2  TYR  50           2HD      TYR  50  -7.740  -3.456  -5.582
  146    HE1  TYR  50           1HE      TYR  50  -3.630  -0.754  -4.945
  147    HE2  TYR  50           2HE      TYR  50  -6.020  -3.377  -7.366
  148    HH   TYR  50           HH       TYR  50  -3.946  -1.254  -7.822
  149    H    GLY  51           H        GLY  51  -9.957   0.658  -2.202
  150   1HA   GLY  51          2HA       GLY  51 -11.794   0.802  -0.737
  151   2HA   GLY  51          1HA       GLY  51 -12.246  -0.831  -1.229
  152   1HN   NH2  52          1H        GLY  51 -11.457  -2.616   0.052
  153   2HN   NH2  52          2H        GLY  51 -10.654  -2.388   1.529
  Start of MODEL   18
    1   1H    ACE  33          1H        ACE  33  14.139   1.872   4.380
    2   2H    ACE  33          2H        ACE  33  15.223   0.488   4.251
    3   3H    ACE  33          3H        ACE  33  14.848   1.167   5.834
    4    H    PHE  34           H        PHE  34  13.547  -0.227   6.924
    5    HA   PHE  34           HA       PHE  34  11.962  -2.285   5.728
    6   1HB   PHE  34          2HB       PHE  34  11.560  -0.940   8.414
    7   2HB   PHE  34          1HB       PHE  34  11.196  -2.613   7.993
    8    HD1  PHE  34           1HD      PHE  34  13.140  -1.343  10.184
    9    HD2  PHE  34           2HD      PHE  34  13.701  -3.120   6.313
   10    HE1  PHE  34           1HE      PHE  34  15.441  -2.006  10.822
   11    HE2  PHE  34           2HE      PHE  34  16.004  -3.783   6.952
   12    HZ   PHE  34           HZ       PHE  34  16.874  -3.226   9.206
   13    HA   PRO  35           HA       PRO  35   8.647   0.297   4.297
   14   1HB   PRO  35          2HB       PRO  35   6.844  -1.693   3.772
   15   2HB   PRO  35          1HB       PRO  35   8.189  -1.296   2.687
   16   1HG   PRO  35          2HG       PRO  35   7.954  -3.483   4.701
   17   2HG   PRO  35          1HG       PRO  35   8.648  -3.522   3.073
   18   1HD   PRO  35          1HD       PRO  35  10.156  -3.359   5.327
   19   2HD   PRO  35          2HD       PRO  35  10.659  -2.661   3.775
   20    H    ARG  36           H        ARG  36   8.754  -1.697   7.061
   21    HA   ARG  36           HA       ARG  36   6.025  -1.411   7.989
   22   1HB   ARG  36          2HB       ARG  36   7.582  -3.176   8.707
   23   2HB   ARG  36          1HB       ARG  36   8.649  -1.963   9.412
   24   1HG   ARG  36          2HG       ARG  36   6.812  -1.269  10.936
   25   2HG   ARG  36          1HG       ARG  36   5.794  -2.539  10.259
   26   1HD   ARG  36          2HD       ARG  36   6.777  -3.423  12.292
   27   2HD   ARG  36          1HD       ARG  36   7.626  -4.194  10.940
   28    HE   ARG  36           HE       ARG  36   9.460  -2.565  11.267
   29   1HH1  ARG  36          1HH2      ARG  36   7.919  -3.756  13.951
   30   2HH1  ARG  36          2HH2      ARG  36   8.452  -2.524  15.047
   31   1HH2  ARG  36          1HH1      ARG  36   9.760  -0.499  12.555
   32   2HH2  ARG  36          2HH1      ARG  36   9.494  -0.682  14.256
   33    H    ILE  37           H        ILE  37   8.882   0.634   8.141
   34    HA   ILE  37           HA       ILE  37   8.061   2.265  10.375
   35    HB   ILE  37           HB       ILE  37   9.796   3.805   9.404
   36   1HG1  ILE  37          2HG1      ILE  37  10.858   2.155   7.384
   37   2HG1  ILE  37          1HG1      ILE  37   9.131   2.273   7.043
   38   1HG2  ILE  37          1HG2      ILE  37  11.598   1.868   9.274
   39   2HG2  ILE  37          2HG2      ILE  37  10.250   0.877   9.830
   40   3HG2  ILE  37          3HG2      ILE  37  10.797   2.245  10.799
   41   1HD1  ILE  37          1HD1      ILE  37  10.744   4.722   7.735
   42   2HD1  ILE  37          2HD1      ILE  37   9.206   4.623   6.876
   43   3HD1  ILE  37          3HD1      ILE  37  10.696   4.110   6.083
   44    H    TRP  38           H        TRP  38   8.487   4.824   8.630
   45    HA   TRP  38           HA       TRP  38   5.699   5.450   8.405
   46   1HB   TRP  38          2HB       TRP  38   6.495   7.561   7.461
   47   2HB   TRP  38          1HB       TRP  38   7.509   7.094   8.821
   48    HD1  TRP  38           HD       TRP  38  10.016   6.749   8.398
   49    HE1  TRP  38           1HE      TRP  38  11.537   6.927   6.325
   50    HE3  TRP  38           3HE      TRP  38   6.476   7.163   4.738
   51    HZ2  TRP  38           2HZ      TRP  38  11.288   7.217   3.490
   52    HZ3  TRP  38           3HZ      TRP  38   7.146   7.398   2.364
   53    HH2  TRP  38           HH       TRP  38   9.546   7.426   1.736
   54    H    LEU  39           H        LEU  39   7.690   3.626   6.344
   55    HA   LEU  39           HA       LEU  39   6.613   4.340   3.768
   56   1HB   LEU  39          2HB       LEU  39   7.655   1.728   4.928
   57   2HB   LEU  39          1HB       LEU  39   7.365   1.998   3.210
   58    HG   LEU  39           HG       LEU  39   9.343   3.454   4.979
   59   1HD1  LEU  39          1HD1      LEU  39   9.524   1.478   2.717
   60   2HD1  LEU  39          2HD1      LEU  39  10.346   1.450   4.277
   61   3HD1  LEU  39          3HD1      LEU  39  10.854   2.592   3.033
   62   1HD2  LEU  39          1HD2      LEU  39   8.140   4.145   2.346
   63   2HD2  LEU  39          2HD2      LEU  39   9.876   4.398   2.526
   64   3HD2  LEU  39          3HD2      LEU  39   8.749   5.202   3.617
   65    H    HIS  40           H        HIS  40   5.423   2.548   6.501
   66    HA   HIS  40           HA       HIS  40   3.363   1.008   5.247
   67   1HB   HIS  40          2HB       HIS  40   4.240   0.674   7.530
   68   2HB   HIS  40          1HB       HIS  40   3.593   2.238   8.018
   69    HD1  HIS  40           1HD      HIS  40   1.089   2.372   8.536
   70    HD2  HIS  40           2HD      HIS  40   2.221  -1.333   6.996
   71    HE1  HIS  40           1HE      HIS  40  -0.908   0.839   8.816
   72    H    ASN  41           H        ASN  41   3.568   4.381   6.237
   73    HA   ASN  41           HA       ASN  41   0.795   5.054   6.263
   74   1HB   ASN  41          2HB       ASN  41   3.096   6.768   5.279
   75   2HB   ASN  41          1HB       ASN  41   1.628   7.308   6.095
   76   1HD2  ASN  41          1HD2      ASN  41   4.533   7.601   6.940
   77   2HD2  ASN  41          2HD2      ASN  41   4.603   6.918   8.492
   78    H    LEU  42           H        LEU  42   3.131   4.745   3.616
   79    HA   LEU  42           HA       LEU  42   1.460   5.865   1.546
   80   1HB   LEU  42          1HB       LEU  42   3.854   4.019   1.647
   81   2HB   LEU  42          2HB       LEU  42   3.137   4.530   0.120
   82    HG   LEU  42           HG       LEU  42   3.388   6.932   0.972
   83   1HD1  LEU  42          1HD2      LEU  42   4.978   5.400   3.035
   84   2HD1  LEU  42          2HD2      LEU  42   3.740   6.627   3.303
   85   3HD1  LEU  42          3HD2      LEU  42   5.319   7.090   2.669
   86   1HD2  LEU  42          1HD1      LEU  42   5.550   5.060   0.134
   87   2HD2  LEU  42          2HD1      LEU  42   6.048   6.662   0.680
   88   3HD2  LEU  42          3HD1      LEU  42   4.934   6.499  -0.678
   89    H    GLY  43           H        GLY  43   1.994   2.590   2.782
   90   1HA   GLY  43          2HA       GLY  43   0.577   1.119   0.829
   91   2HA   GLY  43          1HA       GLY  43   0.729   0.631   2.516
   92    H    GLN  44           H        GLN  44  -0.619   2.994   3.582
   93    HA   GLN  44           HA       GLN  44  -3.310   2.085   3.627
   94   1HB   GLN  44          2HB       GLN  44  -2.160   3.536   5.295
   95   2HB   GLN  44          1HB       GLN  44  -2.187   4.862   4.131
   96   1HG   GLN  44          2HG       GLN  44  -4.667   4.721   4.063
   97   2HG   GLN  44          1HG       GLN  44  -4.613   3.440   5.274
   98   1HE2  GLN  44          1HE2      GLN  44  -6.029   5.604   6.096
   99   2HE2  GLN  44          2HE2      GLN  44  -5.144   6.567   7.178
  100    H    HIS  45           H        HIS  45  -1.731   4.525   1.573
  101    HA   HIS  45           HA       HIS  45  -3.981   5.738   0.385
  102   1HB   HIS  45          1HB       HIS  45  -1.262   4.957  -0.711
  103   2HB   HIS  45          2HB       HIS  45  -2.376   6.028  -1.560
  104    HD1  HIS  45           1HD      HIS  45  -0.389   5.811   1.662
  105    HD2  HIS  45           2HD      HIS  45  -2.425   8.661  -0.600
  106    HE1  HIS  45           1HE      HIS  45   0.128   8.059   2.707
  107    H    ILE  46           H        ILE  46  -2.377   2.670  -0.467
  108    HA   ILE  46           HA       ILE  46  -3.862   2.086  -2.828
  109    HB   ILE  46           HB       ILE  46  -2.583   0.347  -0.698
  110   1HG1  ILE  46          1HG1      ILE  46  -1.600   1.173  -3.443
  111   2HG1  ILE  46          2HG1      ILE  46  -1.132   1.980  -1.947
  112   1HG2  ILE  46          1HG2      ILE  46  -3.793  -0.312  -3.380
  113   2HG2  ILE  46          2HG2      ILE  46  -4.023  -1.136  -1.838
  114   3HG2  ILE  46          3HG2      ILE  46  -2.495  -1.297  -2.704
  115   1HD1  ILE  46          1HD1      ILE  46  -0.811  -1.001  -2.231
  116   2HD1  ILE  46          2HD1      ILE  46   0.044   0.106  -1.157
  117   3HD1  ILE  46          3HD1      ILE  46   0.409   0.093  -2.883
  118    H    TYR  47           H        TYR  47  -4.569   1.445   0.602
  119    HA   TYR  47           HA       TYR  47  -6.788  -0.273   0.357
  120   1HB   TYR  47          1HB       TYR  47  -5.621   0.473   2.441
  121   2HB   TYR  47          2HB       TYR  47  -6.393   2.050   2.272
  122    HD1  TYR  47           1HD      TYR  47  -7.024  -1.573   2.805
  123    HD2  TYR  47           2HD      TYR  47  -8.690   2.386   2.860
  124    HE1  TYR  47           1HE      TYR  47  -9.051  -2.441   3.940
  125    HE2  TYR  47           2HE      TYR  47 -10.717   1.517   3.994
  126    HH   TYR  47           HH       TYR  47 -11.880  -0.925   4.060
  127    H    GLU  48           H        GLU  48  -6.742   3.308   0.315
  128    HA   GLU  48           HA       GLU  48  -9.519   3.769   0.037
  129   1HB   GLU  48          2HB       GLU  48  -7.101   5.225  -1.078
  130   2HB   GLU  48          1HB       GLU  48  -8.721   5.914  -0.999
  131   1HG   GLU  48          2HG       GLU  48  -8.712   5.543   1.472
  132   2HG   GLU  48          1HG       GLU  48  -7.045   4.981   1.350
  133    H    THR  49           H        THR  49  -7.056   3.104  -2.462
  134    HA   THR  49           HA       THR  49  -8.729   3.492  -4.748
  135    HB   THR  49           HB       THR  49  -6.373   1.632  -4.284
  136    HG1  THR  49           1HG      THR  49  -6.319   4.063  -3.912
  137   1HG2  THR  49          1HG2      THR  49  -6.717   1.001  -6.416
  138   2HG2  THR  49          2HG2      THR  49  -6.371   2.662  -6.900
  139   3HG2  THR  49          3HG2      THR  49  -8.034   2.160  -6.597
  140    H    TYR  50           H        TYR  50  -8.236   0.705  -2.618
  141    HA   TYR  50           HA       TYR  50 -10.203  -0.860  -4.249
  142   1HB   TYR  50          1HB       TYR  50  -8.101  -1.632  -2.202
  143   2HB   TYR  50          2HB       TYR  50  -9.182  -2.781  -2.991
  144    HD1  TYR  50           1HD      TYR  50  -6.169  -0.791  -3.308
  145    HD2  TYR  50           2HD      TYR  50  -9.115  -3.007  -5.511
  146    HE1  TYR  50           1HE      TYR  50  -4.639  -0.887  -5.258
  147    HE2  TYR  50           2HE      TYR  50  -7.586  -3.104  -7.460
  148    HH   TYR  50           HH       TYR  50  -5.674  -2.328  -8.335
  149    H    GLY  51           H        GLY  51 -10.367   1.222  -1.791
  150   1HA   GLY  51          2HA       GLY  51 -12.344  -0.436  -0.275
  151   2HA   GLY  51          1HA       GLY  51 -11.318   0.761   0.515
  152   1HN   NH2  52          1H        GLY  51 -11.640   3.093  -0.289
  153   2HN   NH2  52          2H        GLY  51 -13.203   3.558  -0.758
  Start of MODEL   19
    1   1H    ACE  33          1H        ACE  33  -0.399  -0.546  14.016
    2   2H    ACE  33          2H        ACE  33  -0.102  -0.824  12.300
    3   3H    ACE  33          3H        ACE  33  -0.667   0.753  12.852
    4    H    PHE  34           H        PHE  34   1.593   0.712  11.335
    5    HA   PHE  34           HA       PHE  34   3.784   1.207  13.327
    6   1HB   PHE  34          2HB       PHE  34   3.825   0.024  10.534
    7   2HB   PHE  34          1HB       PHE  34   5.284   0.492  11.409
    8    HD1  PHE  34           1HD      PHE  34   2.255  -1.678  11.603
    9    HD2  PHE  34           2HD      PHE  34   6.226  -0.926  13.058
   10    HE1  PHE  34           1HE      PHE  34   2.218  -3.838  12.821
   11    HE2  PHE  34           2HE      PHE  34   6.189  -3.086  14.276
   12    HZ   PHE  34           HZ       PHE  34   4.185  -4.542  14.157
   13    HA   PRO  35           HA       PRO  35   2.971   5.006  10.851
   14   1HB   PRO  35          2HB       PRO  35   2.857   6.764  12.943
   15   2HB   PRO  35          1HB       PRO  35   1.439   5.874  12.353
   16   1HG   PRO  35          2HG       PRO  35   3.190   5.323  14.701
   17   2HG   PRO  35          1HG       PRO  35   1.432   5.190  14.552
   18   1HD   PRO  35          2HD       PRO  35   3.114   3.050  14.441
   19   2HD   PRO  35          1HD       PRO  35   1.546   3.103  13.609
   20    H    ARG  36           H        ARG  36   5.372   3.709  12.745
   21    HA   ARG  36           HA       ARG  36   7.166   5.930  13.132
   22   1HB   ARG  36          2HB       ARG  36   7.598   2.939  12.837
   23   2HB   ARG  36          1HB       ARG  36   8.814   4.066  13.432
   24   1HG   ARG  36          2HG       ARG  36   7.313   4.708  15.285
   25   2HG   ARG  36          1HG       ARG  36   6.101   3.569  14.694
   26   1HD   ARG  36          2HD       ARG  36   8.911   2.840  15.607
   27   2HD   ARG  36          1HD       ARG  36   7.415   2.528  16.506
   28    HE   ARG  36           HE       ARG  36   6.718   1.027  14.662
   29   1HH1  ARG  36          1HH1      ARG  36   9.956   1.211  15.471
   30   2HH1  ARG  36          2HH1      ARG  36  10.545   0.414  14.051
   31   1HH2  ARG  36          1HH2      ARG  36   7.470   0.415  12.449
   32   2HH2  ARG  36          2HH2      ARG  36   9.138  -0.036  12.339
   33    H    ILE  37           H        ILE  37   6.395   3.936  10.355
   34    HA   ILE  37           HA       ILE  37   8.631   5.253   8.856
   35    HB   ILE  37           HB       ILE  37   9.202   2.975   9.086
   36   1HG1  ILE  37          2HG1      ILE  37   9.104   2.106   6.857
   37   2HG1  ILE  37          1HG1      ILE  37   7.613   2.981   6.512
   38   1HG2  ILE  37          1HG2      ILE  37   6.260   2.629   8.993
   39   2HG2  ILE  37          2HG2      ILE  37   7.466   1.769   9.950
   40   3HG2  ILE  37          3HG2      ILE  37   7.204   1.330   8.261
   41   1HD1  ILE  37          1HD1      ILE  37   8.946   5.128   6.914
   42   2HD1  ILE  37          2HD1      ILE  37   9.361   4.231   5.457
   43   3HD1  ILE  37          3HD1      ILE  37  10.391   4.123   6.884
   44    H    TRP  38           H        TRP  38   7.887   6.590   7.300
   45    HA   TRP  38           HA       TRP  38   5.222   6.979   6.538
   46   1HB   TRP  38          2HB       TRP  38   6.261   8.119   4.569
   47   2HB   TRP  38          1HB       TRP  38   7.033   8.543   6.096
   48    HD1  TRP  38           HD       TRP  38   9.434   7.447   6.612
   49    HE1  TRP  38           1HE      TRP  38  11.249   6.530   5.027
   50    HE3  TRP  38           3HE      TRP  38   6.684   6.926   2.346
   51    HZ2  TRP  38           2HZ      TRP  38  11.497   5.688   2.301
   52    HZ3  TRP  38           3HZ      TRP  38   7.731   6.065   0.273
   53    HH2  TRP  38           HH       TRP  38  10.123   5.445   0.247
   54    H    LEU  39           H        LEU  39   7.657   4.821   5.022
   55    HA   LEU  39           HA       LEU  39   6.235   3.952   2.767
   56   1HB   LEU  39          2HB       LEU  39   7.954   2.448   4.766
   57   2HB   LEU  39          1HB       LEU  39   7.415   1.736   3.247
   58    HG   LEU  39           HG       LEU  39   8.827   4.391   3.276
   59   1HD1  LEU  39          1HD1      LEU  39  10.076   1.630   3.271
   60   2HD1  LEU  39          2HD1      LEU  39  10.315   2.891   4.481
   61   3HD1  LEU  39          3HD1      LEU  39  10.938   3.108   2.846
   62   1HD2  LEU  39          1HD2      LEU  39   8.362   2.175   1.274
   63   2HD2  LEU  39          2HD2      LEU  39   9.551   3.449   1.004
   64   3HD2  LEU  39          3HD2      LEU  39   7.843   3.858   1.170
   65    H    HIS  40           H        HIS  40   5.774   3.165   6.162
   66    HA   HIS  40           HA       HIS  40   3.864   1.032   5.800
   67   1HB   HIS  40          2HB       HIS  40   5.268   1.574   7.833
   68   2HB   HIS  40          1HB       HIS  40   4.229   2.972   8.105
   69    HD1  HIS  40           1HD      HIS  40   3.869  -0.807   7.687
   70    HD2  HIS  40           2HD      HIS  40   1.963   2.390   9.561
   71    HE1  HIS  40           1HE      HIS  40   1.970  -1.799   9.039
   72    H    ASN  41           H        ASN  41   3.634   4.551   6.124
   73    HA   ASN  41           HA       ASN  41   0.717   4.570   6.303
   74   1HB   ASN  41          2HB       ASN  41   2.426   6.906   5.463
   75   2HB   ASN  41          1HB       ASN  41   1.008   6.894   6.511
   76   1HD2  ASN  41          1HD2      ASN  41   3.514   8.118   7.299
   77   2HD2  ASN  41          2HD2      ASN  41   4.163   7.221   8.588
   78    H    LEU  42           H        LEU  42   3.015   4.254   3.780
   79    HA   LEU  42           HA       LEU  42   1.565   5.511   1.617
   80   1HB   LEU  42          2HB       LEU  42   3.673   3.340   1.812
   81   2HB   LEU  42          1HB       LEU  42   3.116   3.994   0.273
   82    HG   LEU  42           HG       LEU  42   4.515   5.477   2.511
   83   1HD1  LEU  42          1HD1      LEU  42   5.613   6.019  -0.030
   84   2HD1  LEU  42          2HD1      LEU  42   5.306   4.283  -0.005
   85   3HD1  LEU  42          3HD1      LEU  42   6.317   5.017   1.238
   86   1HD2  LEU  42          1HD2      LEU  42   4.250   7.378   0.662
   87   2HD2  LEU  42          2HD2      LEU  42   3.007   7.119   1.887
   88   3HD2  LEU  42          3HD2      LEU  42   2.798   6.457   0.265
   89    H    GLY  43           H        GLY  43   1.565   2.286   3.059
   90   1HA   GLY  43          2HA       GLY  43   0.033   0.955   1.048
   91   2HA   GLY  43          1HA       GLY  43   0.149   0.446   2.732
   92    H    GLN  44           H        GLN  44  -0.898   2.961   3.806
   93    HA   GLN  44           HA       GLN  44  -3.672   2.378   3.908
   94   1HB   GLN  44          2HB       GLN  44  -2.330   3.773   5.496
   95   2HB   GLN  44          1HB       GLN  44  -2.255   5.041   4.272
   96   1HG   GLN  44          2HG       GLN  44  -4.781   5.044   4.244
   97   2HG   GLN  44          1HG       GLN  44  -4.739   3.949   5.625
   98   1HE2  GLN  44          1HE2      GLN  44  -4.982   5.071   7.560
   99   2HE2  GLN  44          2HE2      GLN  44  -4.389   6.631   7.869
  100    H    HIS  45           H        HIS  45  -1.819   4.470   1.733
  101    HA   HIS  45           HA       HIS  45  -4.006   5.821   0.480
  102   1HB   HIS  45          2HB       HIS  45  -1.583   6.403   0.349
  103   2HB   HIS  45          1HB       HIS  45  -1.313   4.965  -0.636
  104    HD1  HIS  45           1HD      HIS  45  -3.561   8.054  -0.715
  105    HD2  HIS  45           2HD      HIS  45  -1.579   5.484  -3.331
  106    HE1  HIS  45           1HE      HIS  45  -3.953   8.963  -3.047
  107    H    ILE  46           H        ILE  46  -2.360   2.749  -0.299
  108    HA   ILE  46           HA       ILE  46  -3.746   2.162  -2.722
  109    HB   ILE  46           HB       ILE  46  -2.580   0.394  -0.545
  110   1HG1  ILE  46          1HG1      ILE  46  -1.405   1.312  -3.186
  111   2HG1  ILE  46          2HG1      ILE  46  -1.042   2.061  -1.631
  112   1HG2  ILE  46          1HG2      ILE  46  -4.239  -0.470  -2.518
  113   2HG2  ILE  46          2HG2      ILE  46  -2.916  -1.438  -1.869
  114   3HG2  ILE  46          3HG2      ILE  46  -2.690  -0.526  -3.361
  115   1HD1  ILE  46          1HD1      ILE  46  -0.514  -0.824  -2.411
  116   2HD1  ILE  46          2HD1      ILE  46  -0.257  -0.163  -0.795
  117   3HD1  ILE  46          3HD1      ILE  46   0.698   0.431  -2.154
  118    H    TYR  47           H        TYR  47  -4.523   1.325   0.670
  119    HA   TYR  47           HA       TYR  47  -6.729  -0.344   0.359
  120   1HB   TYR  47          1HB       TYR  47  -5.643   0.437   2.477
  121   2HB   TYR  47          2HB       TYR  47  -6.453   1.990   2.277
  122    HD1  TYR  47           1HD      TYR  47  -6.981  -1.634   2.855
  123    HD2  TYR  47           2HD      TYR  47  -8.797   2.258   2.742
  124    HE1  TYR  47           1HE      TYR  47  -9.020  -2.553   3.927
  125    HE2  TYR  47           2HE      TYR  47 -10.834   1.338   3.814
  126    HH   TYR  47           HH       TYR  47 -11.521  -0.525   5.156
  127    H    GLU  48           H        GLU  48  -6.708   3.228   0.186
  128    HA   GLU  48           HA       GLU  48  -9.551   3.506  -0.213
  129   1HB   GLU  48          2HB       GLU  48  -7.158   5.253  -0.875
  130   2HB   GLU  48          1HB       GLU  48  -8.831   5.803  -0.955
  131   1HG   GLU  48          2HG       GLU  48  -9.107   5.211   1.449
  132   2HG   GLU  48          1HG       GLU  48  -7.404   4.755   1.508
  133    H    THR  49           H        THR  49  -6.800   3.153  -2.437
  134    HA   THR  49           HA       THR  49  -8.140   3.754  -4.876
  135    HB   THR  49           HB       THR  49  -5.894   1.813  -4.239
  136    HG1  THR  49           1HG      THR  49  -5.945   4.299  -3.835
  137   1HG2  THR  49          1HG2      THR  49  -7.271   2.340  -6.684
  138   2HG2  THR  49          2HG2      THR  49  -5.847   1.332  -6.431
  139   3HG2  THR  49          3HG2      THR  49  -5.659   3.046  -6.804
  140    H    TYR  50           H        TYR  50  -7.619   0.569  -3.304
  141    HA   TYR  50           HA       TYR  50  -9.223  -0.878  -5.238
  142   1HB   TYR  50          2HB       TYR  50  -8.115  -1.435  -2.477
  143   2HB   TYR  50          1HB       TYR  50  -9.034  -2.643  -3.376
  144    HD1  TYR  50           1HD      TYR  50  -8.098  -3.760  -5.299
  145    HD2  TYR  50           2HD      TYR  50  -5.963  -0.572  -3.372
  146    HE1  TYR  50           1HE      TYR  50  -6.065  -4.338  -6.596
  147    HE2  TYR  50           2HE      TYR  50  -3.929  -1.149  -4.667
  148    HH   TYR  50           HH       TYR  50  -3.172  -2.326  -6.471
  149    H    GLY  51           H        GLY  51  -9.918   0.903  -2.315
  150   1HA   GLY  51          2HA       GLY  51 -12.586  -0.313  -2.010
  151   2HA   GLY  51          1HA       GLY  51 -11.899   0.945  -0.980
  152   1HN   NH2  52          1H        GLY  51 -14.142   0.392  -3.475
  153   2HN   NH2  52          2H        GLY  51 -14.345   1.999  -3.984
  Start of MODEL   20
    1   1H    ACE  33          1H        ACE  33   1.564   2.850  16.916
    2   2H    ACE  33          2H        ACE  33   3.315   2.699  16.765
    3   3H    ACE  33          3H        ACE  33   2.299   1.258  16.726
    4    H    PHE  34           H        PHE  34   0.292   2.769  15.031
    5    HA   PHE  34           HA       PHE  34   1.141   1.884  12.465
    6   1HB   PHE  34          2HB       PHE  34  -1.174   2.209  12.891
    7   2HB   PHE  34          1HB       PHE  34  -0.916   3.850  13.481
    8    HD1  PHE  34           1HD      PHE  34   0.849   2.571  10.524
    9    HD2  PHE  34           2HD      PHE  34  -2.524   4.842  11.910
   10    HE1  PHE  34           1HE      PHE  34   0.496   3.450   8.229
   11    HE2  PHE  34           2HE      PHE  34  -2.875   5.724   9.617
   12    HZ   PHE  34           HZ       PHE  34  -1.365   5.027   7.777
   13    HA   PRO  35           HA       PRO  35   2.510   6.330  11.674
   14   1HB   PRO  35          2HB       PRO  35   2.956   8.007  13.786
   15   2HB   PRO  35          1HB       PRO  35   1.384   7.866  12.977
   16   1HG   PRO  35          2HG       PRO  35   2.318   6.669  15.535
   17   2HG   PRO  35          1HG       PRO  35   0.737   7.341  15.116
   18   1HD   PRO  35          2HD       PRO  35   1.286   4.669  15.201
   19   2HD   PRO  35          1HD       PRO  35   0.016   5.382  14.188
   20    H    ARG  36           H        ARG  36   3.804   3.976  13.394
   21    HA   ARG  36           HA       ARG  36   6.314   5.039  14.359
   22   1HB   ARG  36          2HB       ARG  36   5.233   2.955  15.127
   23   2HB   ARG  36          1HB       ARG  36   5.424   2.261  13.516
   24   1HG   ARG  36          2HG       ARG  36   7.860   2.424  13.705
   25   2HG   ARG  36          1HG       ARG  36   7.707   3.209  15.277
   26   1HD   ARG  36          2HD       ARG  36   8.178   0.851  15.659
   27   2HD   ARG  36          1HD       ARG  36   6.478   1.132  16.080
   28    HE   ARG  36           HE       ARG  36   7.192   0.240  13.318
   29   1HH1  ARG  36          1HH1      ARG  36   7.090  -1.914  15.472
   30   2HH1  ARG  36          2HH1      ARG  36   5.456  -2.468  15.315
   31   1HH2  ARG  36          1HH2      ARG  36   4.422   0.284  13.473
   32   2HH2  ARG  36          2HH2      ARG  36   3.945  -1.223  14.181
   33    H    ILE  37           H        ILE  37   5.242   3.542  11.311
   34    HA   ILE  37           HA       ILE  37   7.884   4.297  10.110
   35    HB   ILE  37           HB       ILE  37   7.831   1.927  10.274
   36   1HG1  ILE  37          2HG1      ILE  37   7.829   1.202   8.007
   37   2HG1  ILE  37          1HG1      ILE  37   6.609   2.387   7.548
   38   1HG2  ILE  37          1HG2      ILE  37   4.926   2.279   9.568
   39   2HG2  ILE  37          2HG2      ILE  37   5.636   1.425  10.939
   40   3HG2  ILE  37          3HG2      ILE  37   5.722   0.724   9.323
   41   1HD1  ILE  37          1HD1      ILE  37   8.193   4.212   7.907
   42   2HD1  ILE  37          2HD1      ILE  37   8.905   3.034   6.808
   43   3HD1  ILE  37          3HD1      ILE  37   9.405   3.077   8.499
   44    H    TRP  38           H        TRP  38   7.519   5.987   8.739
   45    HA   TRP  38           HA       TRP  38   5.002   6.782   7.702
   46   1HB   TRP  38          2HB       TRP  38   6.401   8.192   6.214
   47   2HB   TRP  38          1HB       TRP  38   7.002   8.208   7.871
   48    HD1  TRP  38           HD       TRP  38   9.364   7.248   8.326
   49    HE1  TRP  38           1HE      TRP  38  11.228   6.291   6.823
   50    HE3  TRP  38           3HE      TRP  38   6.798   6.765   3.933
   51    HZ2  TRP  38           2HZ      TRP  38  11.581   5.434   4.115
   52    HZ3  TRP  38           3HZ      TRP  38   7.925   5.879   1.913
   53    HH2  TRP  38           HH       TRP  38  10.307   5.211   1.999
   54    H    LEU  39           H        LEU  39   7.563   4.762   6.236
   55    HA   LEU  39           HA       LEU  39   6.482   4.442   3.647
   56   1HB   LEU  39          2HB       LEU  39   8.691   3.625   4.629
   57   2HB   LEU  39          1HB       LEU  39   7.786   2.281   5.327
   58    HG   LEU  39           HG       LEU  39   7.521   2.891   2.393
   59   1HD1  LEU  39          1HD1      LEU  39   9.359   0.987   2.262
   60   2HD1  LEU  39          2HD1      LEU  39   9.854   1.658   3.815
   61   3HD1  LEU  39          3HD1      LEU  39   9.834   2.680   2.378
   62   1HD2  LEU  39          1HD2      LEU  39   6.633   0.885   4.258
   63   2HD2  LEU  39          2HD2      LEU  39   7.637   0.127   3.021
   64   3HD2  LEU  39          3HD2      LEU  39   6.217   1.063   2.554
   65    H    HIS  40           H        HIS  40   5.272   3.329   6.686
   66    HA   HIS  40           HA       HIS  40   3.652   1.167   5.548
   67   1HB   HIS  40          2HB       HIS  40   4.640   1.243   7.870
   68   2HB   HIS  40          1HB       HIS  40   3.508   2.540   8.254
   69    HD1  HIS  40           1HD      HIS  40   3.525  -1.086   7.108
   70    HD2  HIS  40           2HD      HIS  40   0.940   1.647   8.899
   71    HE1  HIS  40           1HE      HIS  40   1.451  -2.384   7.760
   72    H    ASN  41           H        ASN  41   3.426   4.580   5.819
   73    HA   ASN  41           HA       ASN  41   0.481   4.683   5.911
   74   1HB   ASN  41          2HB       ASN  41   2.355   6.907   5.094
   75   2HB   ASN  41          1HB       ASN  41   0.815   7.033   5.935
   76   1HD2  ASN  41          1HD2      ASN  41   1.883   4.598   7.686
   77   2HD2  ASN  41          2HD2      ASN  41   2.901   5.371   8.802
   78    H    LEU  42           H        LEU  42   3.063   4.601   3.554
   79    HA   LEU  42           HA       LEU  42   1.657   5.611   1.267
   80   1HB   LEU  42          2HB       LEU  42   3.842   3.510   1.494
   81   2HB   LEU  42          1HB       LEU  42   3.464   4.450   0.051
   82    HG   LEU  42           HG       LEU  42   4.408   5.591   2.700
   83   1HD1  LEU  42          1HD1      LEU  42   6.327   6.274   0.979
   84   2HD1  LEU  42          2HD1      LEU  42   5.768   4.822   0.148
   85   3HD1  LEU  42          3HD1      LEU  42   6.359   4.718   1.807
   86   1HD2  LEU  42          1HD2      LEU  42   4.715   7.626   1.063
   87   2HD2  LEU  42          2HD2      LEU  42   3.127   7.302   1.759
   88   3HD2  LEU  42          3HD2      LEU  42   3.486   6.798   0.108
   89    H    GLY  43           H        GLY  43   1.947   2.402   2.723
   90   1HA   GLY  43          2HA       GLY  43   0.567   0.960   0.662
   91   2HA   GLY  43          1HA       GLY  43   0.764   0.412   2.326
   92    H    GLN  44           H        GLN  44  -0.541   2.733   3.518
   93    HA   GLN  44           HA       GLN  44  -3.237   1.838   3.590
   94   1HB   GLN  44          2HB       GLN  44  -2.045   3.250   5.277
   95   2HB   GLN  44          1HB       GLN  44  -2.116   4.606   4.149
   96   1HG   GLN  44          2HG       GLN  44  -4.609   4.389   4.120
   97   2HG   GLN  44          1HG       GLN  44  -4.481   3.129   5.346
   98   1HE2  GLN  44          1HE2      GLN  44  -5.933   5.168   6.270
   99   2HE2  GLN  44          2HE2      GLN  44  -5.046   6.212   7.274
  100    H    HIS  45           H        HIS  45  -1.641   4.245   1.539
  101    HA   HIS  45           HA       HIS  45  -3.860   5.576   0.431
  102   1HB   HIS  45          2HB       HIS  45  -1.227   4.649  -0.756
  103   2HB   HIS  45          1HB       HIS  45  -2.315   5.765  -1.579
  104    HD1  HIS  45           1HD      HIS  45  -0.205   5.484   1.554
  105    HD2  HIS  45           2HD      HIS  45  -2.222   8.405  -0.631
  106    HE1  HIS  45           1HE      HIS  45   0.457   7.713   2.557
  107    H    ILE  46           H        ILE  46  -2.470   2.411  -0.428
  108    HA   ILE  46           HA       ILE  46  -4.018   1.866  -2.746
  109    HB   ILE  46           HB       ILE  46  -2.986   0.024  -0.560
  110   1HG1  ILE  46          2HG1      ILE  46  -1.143   1.283  -1.407
  111   2HG1  ILE  46          1HG1      ILE  46  -1.100  -0.255  -2.271
  112   1HG2  ILE  46          1HG2      ILE  46  -4.041  -0.446  -3.344
  113   2HG2  ILE  46          2HG2      ILE  46  -4.432  -1.307  -1.855
  114   3HG2  ILE  46          3HG2      ILE  46  -2.867  -1.551  -2.631
  115   1HD1  ILE  46          1HD1      ILE  46  -1.756   2.467  -3.278
  116   2HD1  ILE  46          2HD1      ILE  46  -2.701   1.133  -3.940
  117   3HD1  ILE  46          3HD1      ILE  46  -0.944   1.129  -4.093
  118    H    TYR  47           H        TYR  47  -4.722   1.219   0.699
  119    HA   TYR  47           HA       TYR  47  -7.107  -0.220   0.503
  120   1HB   TYR  47          1HB       TYR  47  -5.876   0.423   2.572
  121   2HB   TYR  47          2HB       TYR  47  -6.459   2.077   2.381
  122    HD1  TYR  47           1HD      TYR  47  -8.726   2.681   2.925
  123    HD2  TYR  47           2HD      TYR  47  -7.484  -1.431   3.024
  124    HE1  TYR  47           1HE      TYR  47 -10.835   2.071   4.080
  125    HE2  TYR  47           2HE      TYR  47  -9.593  -2.040   4.179
  126    HH   TYR  47           HH       TYR  47 -12.228  -0.369   4.197
  127    H    GLU  48           H        GLU  48  -6.732   3.342   0.389
  128    HA   GLU  48           HA       GLU  48  -9.516   3.935   0.035
  129   1HB   GLU  48          2HB       GLU  48  -6.967   5.377  -0.761
  130   2HB   GLU  48          1HB       GLU  48  -8.567   6.116  -0.787
  131   1HG   GLU  48          2HG       GLU  48  -8.804   5.596   1.643
  132   2HG   GLU  48          1HG       GLU  48  -7.156   4.969   1.642
  133    H    THR  49           H        THR  49  -6.886   3.282  -2.280
  134    HA   THR  49           HA       THR  49  -8.351   3.906  -4.666
  135    HB   THR  49           HB       THR  49  -6.110   1.914  -4.192
  136    HG1  THR  49           1HG      THR  49  -4.851   3.579  -4.014
  137   1HG2  THR  49          1HG2      THR  49  -7.519   2.847  -6.559
  138   2HG2  THR  49          2HG2      THR  49  -6.340   1.545  -6.402
  139   3HG2  THR  49          3HG2      THR  49  -5.794   3.204  -6.651
  140    H    TYR  50           H        TYR  50  -8.051   0.944  -2.734
  141    HA   TYR  50           HA       TYR  50  -9.991  -0.404  -4.578
  142   1HB   TYR  50          2HB       TYR  50  -7.964  -1.440  -2.572
  143   2HB   TYR  50          1HB       TYR  50  -9.051  -2.471  -3.501
  144    HD1  TYR  50           1HD      TYR  50  -5.964  -0.589  -3.526
  145    HD2  TYR  50           2HD      TYR  50  -8.941  -2.395  -6.040
  146    HE1  TYR  50           1HE      TYR  50  -4.386  -0.527  -5.438
  147    HE2  TYR  50           2HE      TYR  50  -7.364  -2.331  -7.954
  148    HH   TYR  50           HH       TYR  50  -5.173  -2.049  -8.521
  149    H    GLY  51           H        GLY  51 -10.284   1.468  -2.025
  150   1HA   GLY  51          2HA       GLY  51 -12.087  -0.372  -0.506
  151   2HA   GLY  51          1HA       GLY  51 -11.335   1.069   0.182
  152   1HN   NH2  52          1H        GLY  51 -13.030   2.515   0.567
  153   2HN   NH2  52          2H        GLY  51 -14.234   2.916  -0.560