*HEADER    VIRUS/VIRAL PROTEIN                     08-FEB-02   1KZV              
*TITLE     STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 VPR(34-51)           
*TITLE    2 PEPTIDE IN CHLOROFORM METHANOL                                       
*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, CHLOROFORM,                  
*KEYWDS   2 METHANOL, NMR                                                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.ENGLER, T.STANGLER, D.WILLBOLD                                      
*REVDAT   1   28-AUG-02 1KZV    0                                                
assign (resid 47 and name HN) (resid 48 and name HN)  0.0 0.0 2.7
assign (resid 39 and name HN) (resid 38 and name HN)  0.0 0.0 2.7
assign (resid 44 and name HN) (resid 45 and name HN)  0.0 0.0 2.7
assign (resid 46 and name HN) (resid 45 and name HN)  0.0 0.0 2.7
assign (resid 38 and name HN) (resid 37 and name HN)  0.0 0.0 2.7
assign (resid 36 and name HN) (resid 37 and name HN)  0.0 0.0 2.7
assign (resid 48 and name HN) (resid 49 and name HN)  0.0 0.0 2.7
assign (resid 41 and name HN) (resid 42 and name HN)  0.0 0.0 3.5
assign (resid 51 and name HN) (resid 50 and name HN)  0.0 0.0 2.7
assign (resid 45 and name HN) (resid 42 and name HA)  0.0 0.0 3.5
assign (resid 48 and name HN) (resid 50 and name HN)  0.0 0.0 5.0
assign (resid 46 and name HN) (resid 47 and name HN)  0.0 0.0 5.0
assign (resid 41 and name HN) (resid 40 and name HN)  0.0 0.0 2.7
assign (resid 48 and name HN) (resid 47 and name HD*)  0.0 0.0 5.0
assign (resid 36 and name HN) (resid 35 and name HA)  0.0 0.0 3.5
assign (resid 38 and name HN) (resid 35 and name HA)  0.0 0.0 5.0
assign (resid 41 and name HN) (resid 40 and name HA)  0.0 0.0 3.5
assign (resid 48 and name HN) (resid 47 and name HA)  0.0 0.0 3.5
assign (resid 37 and name HN) (resid 36 and name HA)  0.0 0.0 5.0
assign (resid 40 and name HN) (resid 39 and name HA)  0.0 0.0 3.5
assign (resid 47 and name HN) (resid 44 and name HA)  0.0 0.0 3.5
assign (resid 40 and name HN) (resid 37 and name HA)  0.0 0.0 5.0
assign (resid 38 and name HN) (resid 37 and name HA)  0.0 0.0 5.0
assign (resid 41 and name HN) (resid 40 and name HB*)  0.0 0.0 2.7
assign (resid 39 and name HN) (resid 36 and name HD*)  0.0 0.0 2.7
assign (resid 51 and name HN) (resid 50 and name HB2)  0.0 0.0 5.0
assign (resid 42 and name HN) (resid 41 and name HB1)  0.0 0.0 2.7
assign (resid 48 and name HN) (resid 47 and name HB*)  0.0 0.0 2.7
assign (resid 36 and name HN) (resid 35 and name HG*)  0.0 0.0 5.0
assign (resid 47 and name HD*) (resid 44 and name HA)  0.0 0.0 5.0
assign (resid 50 and name HN) (resid 49 and name HA)  0.0 0.0 5.0
assign (resid 50 and name HD*) (resid 48 and name HA)  0.0 0.0 5.0
assign (resid 44 and name HA) (resid 47 and name HB*)  0.0 0.0 2.7
assign (resid 37 and name HA) (resid 40 and name HB*)  0.0 0.0 2.7
assign (resid 43 and name HN) (resid 40 and name HA)  0.0 0.0 5.0
assign (resid 48 and name HN) (resid 45 and name HA)  0.0 0.0 5.0
assign (resid 47 and name HN) (resid 46 and name HG2*)  0.0 0.0 3.5
assign (resid 40 and name HN) (resid 39 and name HB*)  0.0 0.0 2.7
assign (resid 49 and name HN) (resid 50 and name HN)  0.0 0.0 2.7
assign (resid 51 and name HN) (resid 50 and name HB1)  0.0 0.0 5.0
assign (resid 50 and name HN) (resid 49 and name HG2*)  0.0 0.0 5.0
assign (resid 43 and name HN) (resid 44 and name HN)  0.0 0.0 3.5
assign (resid 47 and name HN) (resid 46 and name HA)  0.0 0.0 3.5
assign (resid 42 and name HN) (resid 41 and name HB2)  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 39 and name HN) (resid 37 and name HN)  0.0 0.0 5.0
assign (resid 47 and name HN) (resid 47 and name HD*)  0.0 0.0 5.0
assign (resid 36 and name HN) (resid 35 and name HB1)  0.0 0.0 5.0
assign (resid 39 and name HN) (resid 36 and name HA)  0.0 0.0 5.0
assign (resid 36 and name HA) (resid 39 and name HB*)  0.0 0.0 5.0
assign (resid 46 and name HN) (resid 43 and name HA1)  0.0 0.0 3.5
assign (resid 49 and name HN) (resid 48 and name HA)  0.0 0.0 3.5
assign (resid 51 and name HN) (resid 48 and name HA)  0.0 0.0 3.5
assign (resid 50 and name HN) (resid 49 and name HB)  0.0 0.0 5.0
assign (resid 44 and name HN) (resid 43 and name HA1)  0.0 0.0 3.5
assign (resid 51 and name HT1) (resid 51 and name HA1)  0.0 0.0 5.0
assign (resid 51 and name HN) (resid 51 and name HT1)  0.0 0.0 5.0
assign (resid 51 and name HN) (resid 51 and name HT2)  0.0 0.0 3.5
assign (resid 38 and name HN) (resid 37 and name HG2*)  0.0 0.0 5.0
assign (resid 45 and name HD1) (resid 45 and name HB*)  0.0 0.0 5.0
assign (resid 45 and name HE1) (resid 45 and name HD1)  0.0 0.0 5.0
assign (resid 40 and name HD1) (resid 40 and name HA)  0.0 0.0 5.0
assign (resid 40 and name HD1) (resid 40 and name HB*)  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 44 and name HE22) (resid 44 and name HE21)  0.0 0.0 3.5
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 HD22) (resid 41 and name HD21)  0.0 0.0 3.5
assign (resid 36 and name HN) (resid 36 and name HG1)  0.0 0.0 5.0
assign (resid 36 and name HN) (resid 36 and name HG2)  0.0 0.0 5.0
assign (resid 36 and name HE) (resid 36 and name HG2)  0.0 0.0 5.0
assign (resid 36 and name HE) (resid 36 and name HB*)  0.0 0.0 5.0
assign (resid 36 and name HN) (resid 36 and name HB*)  0.0 0.0 5.0
assign (resid 38 and name HD1) (resid 38 and name HB1)  0.0 0.0 5.0
assign (resid 38 and name HE3) (resid 38 and name HB1)  0.0 0.0 5.0
assign (resid 38 and name HZ3) (resid 38 and name HZ2)  0.0 0.0 5.0
assign (resid 47 and name HD*) (resid 47 and name HA)  0.0 0.0 5.0
assign (resid 47 and name HD*) (resid 47 and name HB*)  0.0 0.0 5.0
assign (resid 47 and name HE*) (resid 47 and name HB*)  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 HN) (resid 50 and name HD*)  0.0 0.0 5.0
assign (resid 50 and name HN) (resid 50 and name HE*)  0.0 0.0 5.0
assign (resid 33 and name c ) (resid 34 and name n)
       (resid 34 and name ca) (resid 34 and name c) 10 -60 20 2
assign (resid 37 and name c ) (resid 38 and name n)
       (resid 38 and name ca) (resid 38 and name c) 10 -60 20 2
assign (resid 38 and name c ) (resid 39 and name n)
       (resid 39 and name ca) (resid 39 and name c) 10 -60 20 2
assign (resid 39 and name c ) (resid 40 and name n)
       (resid 40 and name ca) (resid 40 and name c) 10 -60 20 2
assign (resid 40 and name c ) (resid 41 and name n)
       (resid 41 and name ca) (resid 41 and name c) 10 -60 20 2
assign (resid 41 and name c ) (resid 42 and name n)
       (resid 42 and name ca) (resid 42 and name c) 10 -60 20 2
assign (resid 43 and name c ) (resid 44 and name n)
       (resid 44 and name ca) (resid 44 and name c) 10 -60 20 2
assign (resid 44 and name c ) (resid 45 and name n)
       (resid 45 and name ca) (resid 45 and name c) 10 -60 20 2
assign (resid 46 and name c ) (resid 47 and name n)
       (resid 47 and name ca) (resid 47 and name c) 10 -60 20 2
assign (resid 47 and name c ) (resid 48 and name n)
       (resid 48 and name ca) (resid 48 and name c) 10 -60 20 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE  33          1H        ACE  33  -2.332  16.882   0.732
    2   2H    ACE  33          2H        ACE  33  -1.623  18.414   1.242
    3   3H    ACE  33          3H        ACE  33  -1.790  17.091   2.397
    4    H    PHE  34           H        PHE  34  -0.086  15.688   2.600
    5    HA   PHE  34           HA       PHE  34   2.424  16.244   1.302
    6   1HB   PHE  34          2HB       PHE  34   1.250  14.217   3.159
    7   2HB   PHE  34          1HB       PHE  34   2.784  13.817   2.385
    8    HD1  PHE  34           1HD      PHE  34   4.711  14.423   3.532
    9    HD2  PHE  34           2HD      PHE  34   1.162  16.797   4.007
   10    HE1  PHE  34           1HE      PHE  34   5.905  15.887   5.140
   11    HE2  PHE  34           2HE      PHE  34   2.357  18.260   5.614
   12    HZ   PHE  34           HZ       PHE  34   4.727  17.805   6.181
   13    HA   PRO  35           HA       PRO  35   1.874  14.053  -2.472
   14   1HB   PRO  35          2HB       PRO  35   4.443  13.235  -2.931
   15   2HB   PRO  35          1HB       PRO  35   3.896  14.899  -3.210
   16   1HG   PRO  35          2HG       PRO  35   5.412  13.753  -0.916
   17   2HG   PRO  35          1HG       PRO  35   5.604  15.314  -1.726
   18   1HD   PRO  35          2HD       PRO  35   4.322  14.997   0.662
   19   2HD   PRO  35          1HD       PRO  35   3.950  16.300  -0.486
   20    H    ARG  36           H        ARG  36   3.083  12.695   0.456
   21    HA   ARG  36           HA       ARG  36   3.527   9.982  -0.319
   22   1HB   ARG  36          2HB       ARG  36   4.215  10.918   1.826
   23   2HB   ARG  36          1HB       ARG  36   2.536  11.247   2.254
   24   1HG   ARG  36          2HG       ARG  36   3.553   9.119   3.251
   25   2HG   ARG  36          1HG       ARG  36   2.017   8.921   2.408
   26   1HD   ARG  36          2HD       ARG  36   3.280   8.243   0.349
   27   2HD   ARG  36          1HD       ARG  36   4.783   8.325   1.291
   28    HE   ARG  36           HE       ARG  36   2.548   6.405   1.775
   29   1HH1  ARG  36          1HH2      ARG  36   4.319   7.581   4.098
   30   2HH1  ARG  36          2HH2      ARG  36   5.409   6.254   4.319
   31   1HH2  ARG  36          1HH1      ARG  36   4.545   4.704   1.339
   32   2HH2  ARG  36          2HH1      ARG  36   5.537   4.623   2.757
   33    H    ILE  37           H        ILE  37   0.578  11.809   0.221
   34    HA   ILE  37           HA       ILE  37  -1.310   9.798   0.758
   35    HB   ILE  37           HB       ILE  37  -1.466  12.207  -1.089
   36   1HG1  ILE  37          2HG1      ILE  37  -2.220  11.896   1.833
   37   2HG1  ILE  37          1HG1      ILE  37  -0.739  12.663   1.258
   38   1HG2  ILE  37          1HG2      ILE  37  -3.314  10.266  -1.033
   39   2HG2  ILE  37          2HG2      ILE  37  -3.756  11.968  -1.162
   40   3HG2  ILE  37          3HG2      ILE  37  -3.825  11.155   0.402
   41   1HD1  ILE  37          1HD1      ILE  37  -3.221  13.656  -0.004
   42   2HD1  ILE  37          2HD1      ILE  37  -1.827  14.554   0.600
   43   3HD1  ILE  37          3HD1      ILE  37  -3.076  14.005   1.719
   44    H    TRP  38           H        TRP  38   0.570  10.373  -2.105
   45    HA   TRP  38           HA       TRP  38  -1.091   8.913  -3.981
   46   1HB   TRP  38          2HB       TRP  38   1.861   9.626  -3.914
   47   2HB   TRP  38          1HB       TRP  38   1.005   9.038  -5.340
   48    HD1  TRP  38           HD       TRP  38  -1.481  11.003  -3.719
   49    HE1  TRP  38           1HE      TRP  38  -1.573  13.421  -4.607
   50    HE3  TRP  38           3HE      TRP  38   3.010  11.226  -6.141
   51    HZ2  TRP  38           2HZ      TRP  38   0.044  15.214  -6.142
   52    HZ3  TRP  38           3HZ      TRP  38   3.708  13.300  -7.305
   53    HH2  TRP  38           HH       TRP  38   2.232  15.292  -7.308
   54    H    LEU  39           H        LEU  39   1.592   8.054  -1.812
   55    HA   LEU  39           HA       LEU  39   1.941   5.361  -2.822
   56   1HB   LEU  39          2HB       LEU  39   2.566   6.570  -0.108
   57   2HB   LEU  39          1HB       LEU  39   3.314   5.133  -0.807
   58    HG   LEU  39           HG       LEU  39   3.490   7.960  -1.892
   59   1HD1  LEU  39          1HD1      LEU  39   5.069   6.430  -0.018
   60   2HD1  LEU  39          2HD1      LEU  39   5.288   8.100  -0.542
   61   3HD1  LEU  39          3HD1      LEU  39   6.024   6.784  -1.457
   62   1HD2  LEU  39          1HD2      LEU  39   3.610   6.753  -3.852
   63   2HD2  LEU  39          2HD2      LEU  39   4.138   5.282  -3.036
   64   3HD2  LEU  39          3HD2      LEU  39   5.287   6.587  -3.333
   65    H    HIS  40           H        HIS  40  -0.084   6.850  -0.342
   66    HA   HIS  40           HA       HIS  40  -0.953   4.499   1.015
   67   1HB   HIS  40          2HB       HIS  40  -2.169   7.212   0.446
   68   2HB   HIS  40          1HB       HIS  40  -2.969   6.029   1.481
   69    HD1  HIS  40           1HD      HIS  40  -1.551   5.217   3.622
   70    HD2  HIS  40           2HD      HIS  40  -0.119   8.627   1.698
   71    HE1  HIS  40           1HE      HIS  40   0.052   6.331   5.237
   72    H    ASN  41           H        ASN  41  -1.957   5.964  -2.029
   73    HA   ASN  41           HA       ASN  41  -4.418   4.594  -2.443
   74   1HB   ASN  41          2HB       ASN  41  -3.354   6.513  -3.738
   75   2HB   ASN  41          1HB       ASN  41  -2.326   5.312  -4.518
   76   1HD2  ASN  41          1HD2      ASN  41  -3.524   6.080  -6.553
   77   2HD2  ASN  41          2HD2      ASN  41  -5.024   5.370  -6.906
   78    H    LEU  42           H        LEU  42  -1.064   3.569  -2.877
   79    HA   LEU  42           HA       LEU  42  -1.507   1.220  -4.439
   80   1HB   LEU  42          2HB       LEU  42   0.557   1.822  -2.294
   81   2HB   LEU  42          1HB       LEU  42   0.716   0.600  -3.556
   82    HG   LEU  42           HG       LEU  42   0.474   3.597  -3.972
   83   1HD1  LEU  42          1HD1      LEU  42   2.696   2.138  -3.305
   84   2HD1  LEU  42          2HD1      LEU  42   2.735   3.630  -4.245
   85   3HD1  LEU  42          3HD1      LEU  42   2.752   2.069  -5.066
   86   1HD2  LEU  42          1HD2      LEU  42  -0.058   1.325  -5.721
   87   2HD2  LEU  42          2HD2      LEU  42   1.217   2.359  -6.362
   88   3HD2  LEU  42          3HD2      LEU  42  -0.368   3.039  -5.992
   89    H    GLY  43           H        GLY  43  -1.823   1.851  -0.976
   90   1HA   GLY  43          1HA       GLY  43  -1.850  -0.752   0.059
   91   2HA   GLY  43          2HA       GLY  43  -2.844   0.555   0.701
   92    H    GLN  44           H        GLN  44  -4.360   0.943  -1.752
   93    HA   GLN  44           HA       GLN  44  -6.508  -0.895  -1.328
   94   1HB   GLN  44          1HB       GLN  44  -5.787   0.821  -3.730
   95   2HB   GLN  44          2HB       GLN  44  -7.388   0.164  -3.386
   96   1HG   GLN  44          2HG       GLN  44  -5.855   2.066  -1.587
   97   2HG   GLN  44          1HG       GLN  44  -7.192   2.522  -2.641
   98   1HE2  GLN  44          1HE2      GLN  44  -6.741   2.173   0.505
   99   2HE2  GLN  44          2HE2      GLN  44  -8.174   1.396   0.979
  100    H    HIS  45           H        HIS  45  -3.672  -1.035  -3.398
  101    HA   HIS  45           HA       HIS  45  -4.543  -3.023  -5.258
  102   1HB   HIS  45          2HB       HIS  45  -2.497  -1.603  -5.404
  103   2HB   HIS  45          1HB       HIS  45  -1.796  -2.513  -4.065
  104    HD1  HIS  45           1HD      HIS  45  -3.355  -3.313  -7.466
  105    HD2  HIS  45           2HD      HIS  45  -0.299  -4.646  -4.963
  106    HE1  HIS  45           1HE      HIS  45  -2.184  -5.188  -8.701
  107    H    ILE  46           H        ILE  46  -3.069  -3.284  -2.025
  108    HA   ILE  46           HA       ILE  46  -2.727  -6.128  -2.000
  109    HB   ILE  46           HB       ILE  46  -1.818  -4.277  -0.454
  110   1HG1  ILE  46          2HG1      ILE  46  -3.035  -6.631   1.002
  111   2HG1  ILE  46          1HG1      ILE  46  -1.673  -6.809  -0.104
  112   1HG2  ILE  46          1HG2      ILE  46  -3.200  -3.228   1.000
  113   2HG2  ILE  46          2HG2      ILE  46  -4.003  -4.734   1.444
  114   3HG2  ILE  46          3HG2      ILE  46  -4.518  -3.851   0.006
  115   1HD1  ILE  46          1HD1      ILE  46  -1.661  -5.908   2.632
  116   2HD1  ILE  46          2HD1      ILE  46  -1.062  -4.617   1.589
  117   3HD1  ILE  46          3HD1      ILE  46  -0.289  -6.202   1.564
  118    H    TYR  47           H        TYR  47  -5.543  -4.141  -1.790
  119    HA   TYR  47           HA       TYR  47  -7.256  -5.856  -0.242
  120   1HB   TYR  47          1HB       TYR  47  -7.641  -3.458  -0.755
  121   2HB   TYR  47          2HB       TYR  47  -7.856  -3.867  -2.457
  122    HD1  TYR  47           1HD      TYR  47  -9.858  -4.996  -3.245
  123    HD2  TYR  47           2HD      TYR  47  -9.306  -4.145   0.928
  124    HE1  TYR  47           1HE      TYR  47 -12.245  -5.518  -2.822
  125    HE2  TYR  47           2HE      TYR  47 -11.693  -4.667   1.351
  126    HH   TYR  47           HH       TYR  47 -13.931  -4.588  -0.419
  127    H    GLU  48           H        GLU  48  -6.280  -5.823  -3.619
  128    HA   GLU  48           HA       GLU  48  -8.355  -7.568  -4.623
  129   1HB   GLU  48          2HB       GLU  48  -5.556  -6.876  -5.563
  130   2HB   GLU  48          1HB       GLU  48  -6.745  -7.736  -6.542
  131   1HG   GLU  48          2HG       GLU  48  -8.295  -5.817  -6.328
  132   2HG   GLU  48          1HG       GLU  48  -7.087  -4.956  -5.374
  133    H    THR  49           H        THR  49  -5.239  -8.119  -3.072
  134    HA   THR  49           HA       THR  49  -4.876 -10.862  -3.842
  135    HB   THR  49           HB       THR  49  -3.287 -10.843  -1.955
  136    HG1  THR  49           1HG      THR  49  -4.824  -8.593  -1.273
  137   1HG2  THR  49          1HG2      THR  49  -2.019  -8.777  -2.603
  138   2HG2  THR  49          2HG2      THR  49  -3.425  -8.262  -3.534
  139   3HG2  THR  49          3HG2      THR  49  -2.562  -9.733  -3.983
  140    H    TYR  50           H        TYR  50  -6.694  -9.327  -1.215
  141    HA   TYR  50           HA       TYR  50  -7.214 -11.699   0.320
  142   1HB   TYR  50          2HB       TYR  50  -8.756  -9.109  -0.042
  143   2HB   TYR  50          1HB       TYR  50  -9.018 -10.261   1.268
  144    HD1  TYR  50           1HD      TYR  50  -7.272 -10.640   2.982
  145    HD2  TYR  50           2HD      TYR  50  -6.814  -7.668  -0.084
  146    HE1  TYR  50           1HE      TYR  50  -5.423  -9.599   4.267
  147    HE2  TYR  50           2HE      TYR  50  -4.966  -6.626   1.200
  148    HH   TYR  50           HH       TYR  50  -3.288  -8.050   3.485
  149    H    GLY  51           H        GLY  51  -8.801 -10.261  -2.498
  150   1HA   GLY  51          1HA       GLY  51 -10.188 -12.769  -3.043
  151   2HA   GLY  51          2HA       GLY  51 -11.277 -11.470  -2.559
  152   1HN   NH2  52          1H        GLY  51 -11.459  -9.594  -4.001
  153   2HN   NH2  52          2H        GLY  51 -10.921  -9.671  -5.609
  Start of MODEL    2
    1   1H    ACE  33          1H        ACE  33   9.082  14.476  -5.605
    2   2H    ACE  33          2H        ACE  33   9.095  12.780  -5.121
    3   3H    ACE  33          3H        ACE  33   9.029  14.047  -3.895
    4    H    PHE  34           H        PHE  34   7.162  11.873  -5.629
    5    HA   PHE  34           HA       PHE  34   4.732  13.341  -6.057
    6   1HB   PHE  34          2HB       PHE  34   3.774  11.032  -6.132
    7   2HB   PHE  34          1HB       PHE  34   5.257  11.172  -7.077
    8    HD1  PHE  34           1HD      PHE  34   3.978  10.196  -3.704
    9    HD2  PHE  34           2HD      PHE  34   7.100   9.774  -6.622
   10    HE1  PHE  34           1HE      PHE  34   5.011   8.404  -2.337
   11    HE2  PHE  34           2HE      PHE  34   8.134   7.981  -5.256
   12    HZ   PHE  34           HZ       PHE  34   7.090   7.296  -3.113
   13    HA   PRO  35           HA       PRO  35   3.287  14.045  -1.970
   14   1HB   PRO  35          2HB       PRO  35   0.605  13.615  -2.301
   15   2HB   PRO  35          1HB       PRO  35   1.422  15.096  -2.837
   16   1HG   PRO  35          2HG       PRO  35   0.597  12.703  -4.411
   17   2HG   PRO  35          1HG       PRO  35   0.513  14.418  -4.842
   18   1HD   PRO  35          2HD       PRO  35   2.451  12.737  -5.755
   19   2HD   PRO  35          1HD       PRO  35   2.700  14.480  -5.529
   20    H    ARG  36           H        ARG  36   2.766  12.740  -0.148
   21    HA   ARG  36           HA       ARG  36   3.235   9.941  -0.307
   22   1HB   ARG  36          2HB       ARG  36   3.541  11.242   1.725
   23   2HB   ARG  36          1HB       ARG  36   1.829  11.667   1.755
   24   1HG   ARG  36          2HG       ARG  36   2.560   9.748   3.301
   25   2HG   ARG  36          1HG       ARG  36   1.178   9.430   2.253
   26   1HD   ARG  36          2HD       ARG  36   2.702   8.321   0.616
   27   2HD   ARG  36          1HD       ARG  36   4.054   8.585   1.734
   28    HE   ARG  36           HE       ARG  36   1.642   6.921   2.376
   29   1HH1  ARG  36          1HH1      ARG  36   4.218   8.364   3.906
   30   2HH1  ARG  36          2HH1      ARG  36   4.891   6.909   4.563
   31   1HH2  ARG  36          1HH2      ARG  36   2.808   4.813   2.747
   32   2HH2  ARG  36          2HH2      ARG  36   4.092   4.898   3.907
   33    H    ILE  37           H        ILE  37   0.264  11.802  -0.610
   34    HA   ILE  37           HA       ILE  37  -1.711   9.876  -0.094
   35    HB   ILE  37           HB       ILE  37  -1.893  12.333  -0.795
   36   1HG1  ILE  37          2HG1      ILE  37  -3.704  10.492  -2.371
   37   2HG1  ILE  37          1HG1      ILE  37  -3.806  10.635  -0.616
   38   1HG2  ILE  37          1HG2      ILE  37  -1.685  11.057  -3.541
   39   2HG2  ILE  37          2HG2      ILE  37  -0.500  12.149  -2.824
   40   3HG2  ILE  37          3HG2      ILE  37  -2.114  12.738  -3.224
   41   1HD1  ILE  37          1HD1      ILE  37  -4.846  12.639  -0.746
   42   2HD1  ILE  37          2HD1      ILE  37  -5.086  12.280  -2.456
   43   3HD1  ILE  37          3HD1      ILE  37  -3.698  13.240  -1.944
   44    H    TRP  38           H        TRP  38   0.637  10.010  -2.650
   45    HA   TRP  38           HA       TRP  38  -0.673   8.266  -4.543
   46   1HB   TRP  38          2HB       TRP  38   1.297   9.878  -4.846
   47   2HB   TRP  38          1HB       TRP  38   2.297   8.642  -4.083
   48    HD1  TRP  38           HD       TRP  38   0.181   9.281  -7.206
   49    HE1  TRP  38           1HE      TRP  38   0.858   7.582  -9.024
   50    HE3  TRP  38           3HE      TRP  38   3.362   6.328  -4.513
   51    HZ2  TRP  38           2HZ      TRP  38   2.527   5.276  -9.299
   52    HZ3  TRP  38           3HZ      TRP  38   4.482   4.390  -5.579
   53    HH2  TRP  38           HH       TRP  38   4.068   3.861  -7.964
   54    H    LEU  39           H        LEU  39   1.530   7.730  -1.800
   55    HA   LEU  39           HA       LEU  39   1.939   4.911  -2.257
   56   1HB   LEU  39          2HB       LEU  39   2.040   6.599   0.265
   57   2HB   LEU  39          1HB       LEU  39   2.779   5.010   0.072
   58    HG   LEU  39           HG       LEU  39   3.457   7.483  -1.552
   59   1HD1  LEU  39          1HD1      LEU  39   4.845   7.969   0.154
   60   2HD1  LEU  39          2HD1      LEU  39   5.695   6.456  -0.166
   61   3HD1  LEU  39          3HD1      LEU  39   4.376   6.496   1.004
   62   1HD2  LEU  39          1HD2      LEU  39   4.458   6.089  -3.010
   63   2HD2  LEU  39          2HD2      LEU  39   3.785   4.718  -2.127
   64   3HD2  LEU  39          3HD2      LEU  39   5.376   5.348  -1.700
   65    H    HIS  40           H        HIS  40  -0.554   6.794  -0.645
   66    HA   HIS  40           HA       HIS  40  -1.782   4.715   0.889
   67   1HB   HIS  40          2HB       HIS  40  -2.183   7.140   1.136
   68   2HB   HIS  40          1HB       HIS  40  -2.931   7.181  -0.460
   69    HD1  HIS  40           1HD      HIS  40  -5.340   6.373  -0.664
   70    HD2  HIS  40           2HD      HIS  40  -3.739   5.722   3.130
   71    HE1  HIS  40           1HE      HIS  40  -7.270   5.667   0.817
   72    H    ASN  41           H        ASN  41  -2.190   5.755  -2.475
   73    HA   ASN  41           HA       ASN  41  -4.481   4.195  -3.144
   74   1HB   ASN  41          2HB       ASN  41  -3.393   6.041  -4.461
   75   2HB   ASN  41          1HB       ASN  41  -2.084   4.928  -4.856
   76   1HD2  ASN  41          1HD2      ASN  41  -5.646   5.305  -5.172
   77   2HD2  ASN  41          2HD2      ASN  41  -5.773   4.371  -6.582
   78    H    LEU  42           H        LEU  42  -1.051   3.375  -2.922
   79    HA   LEU  42           HA       LEU  42  -1.142   0.839  -4.261
   80   1HB   LEU  42          2HB       LEU  42   0.886   2.170  -3.705
   81   2HB   LEU  42          1HB       LEU  42   0.614   1.840  -1.994
   82    HG   LEU  42           HG       LEU  42   0.683  -0.641  -2.602
   83   1HD1  LEU  42          1HD1      LEU  42   0.821  -1.196  -4.778
   84   2HD1  LEU  42          2HD1      LEU  42   2.356  -0.336  -4.899
   85   3HD1  LEU  42          3HD1      LEU  42   0.843   0.514  -5.213
   86   1HD2  LEU  42          1HD2      LEU  42   3.361   0.086  -3.330
   87   2HD2  LEU  42          2HD2      LEU  42   2.765  -0.464  -1.764
   88   3HD2  LEU  42          3HD2      LEU  42   2.763   1.255  -2.153
   89    H    GLY  43           H        GLY  43  -1.890   1.837  -0.952
   90   1HA   GLY  43          1HA       GLY  43  -1.900  -0.717   0.289
   91   2HA   GLY  43          2HA       GLY  43  -2.874   0.653   0.819
   92    H    GLN  44           H        GLN  44  -4.379   0.945  -1.613
   93    HA   GLN  44           HA       GLN  44  -6.546  -0.850  -1.138
   94   1HB   GLN  44          2HB       GLN  44  -5.762   0.808  -3.560
   95   2HB   GLN  44          1HB       GLN  44  -7.361   0.111  -3.302
   96   1HG   GLN  44          2HG       GLN  44  -7.611   1.403  -1.229
   97   2HG   GLN  44          1HG       GLN  44  -5.990   2.068  -1.431
   98   1HE2  GLN  44          1HE2      GLN  44  -8.200   3.831  -1.317
   99   2HE2  GLN  44          2HE2      GLN  44  -8.445   4.519  -2.849
  100    H    HIS  45           H        HIS  45  -3.796  -1.016  -3.368
  101    HA   HIS  45           HA       HIS  45  -4.685  -3.142  -5.039
  102   1HB   HIS  45          2HB       HIS  45  -1.955  -2.303  -4.013
  103   2HB   HIS  45          1HB       HIS  45  -2.187  -3.476  -5.308
  104    HD1  HIS  45           1HD      HIS  45  -2.867   0.163  -4.485
  105    HD2  HIS  45           2HD      HIS  45  -2.774  -2.354  -7.807
  106    HE1  HIS  45           1HE      HIS  45  -3.101   1.653  -6.519
  107    H    ILE  46           H        ILE  46  -3.094  -3.163  -1.861
  108    HA   ILE  46           HA       ILE  46  -2.627  -5.970  -1.641
  109    HB   ILE  46           HB       ILE  46  -3.326  -3.903   0.472
  110   1HG1  ILE  46          1HG1      ILE  46  -1.484  -3.055  -0.799
  111   2HG1  ILE  46          2HG1      ILE  46  -0.782  -3.779   0.648
  112   1HG2  ILE  46          1HG2      ILE  46  -1.977  -5.369   1.953
  113   2HG2  ILE  46          2HG2      ILE  46  -1.808  -6.525   0.631
  114   3HG2  ILE  46          3HG2      ILE  46  -3.398  -6.202   1.322
  115   1HD1  ILE  46          1HD1      ILE  46  -0.599  -5.936  -0.802
  116   2HD1  ILE  46          2HD1      ILE  46   0.563  -4.639  -1.081
  117   3HD1  ILE  46          3HD1      ILE  46  -0.808  -4.844  -2.172
  118    H    TYR  47           H        TYR  47  -5.452  -3.969  -0.925
  119    HA   TYR  47           HA       TYR  47  -7.062  -5.937   0.379
  120   1HB   TYR  47          2HB       TYR  47  -7.402  -3.456   0.301
  121   2HB   TYR  47          1HB       TYR  47  -7.860  -3.605  -1.395
  122    HD1  TYR  47           1HD      TYR  47  -9.998  -4.535  -2.048
  123    HD2  TYR  47           2HD      TYR  47  -8.818  -4.424   2.081
  124    HE1  TYR  47           1HE      TYR  47 -12.318  -5.085  -1.371
  125    HE2  TYR  47           2HE      TYR  47 -11.140  -4.975   2.759
  126    HH   TYR  47           HH       TYR  47 -13.216  -5.339   2.072
  127    H    GLU  48           H        GLU  48  -6.471  -5.233  -3.025
  128    HA   GLU  48           HA       GLU  48  -8.616  -6.959  -4.009
  129   1HB   GLU  48          2HB       GLU  48  -6.203  -5.648  -5.298
  130   2HB   GLU  48          1HB       GLU  48  -7.519  -6.415  -6.186
  131   1HG   GLU  48          2HG       GLU  48  -9.125  -4.841  -5.154
  132   2HG   GLU  48          1HG       GLU  48  -7.800  -4.066  -4.286
  133    H    THR  49           H        THR  49  -5.499  -7.520  -2.758
  134    HA   THR  49           HA       THR  49  -4.669  -9.725  -4.434
  135    HB   THR  49           HB       THR  49  -4.003  -9.012  -1.559
  136    HG1  THR  49           1HG      THR  49  -3.085  -8.123  -4.067
  137   1HG2  THR  49          1HG2      THR  49  -3.265 -11.261  -2.141
  138   2HG2  THR  49          2HG2      THR  49  -1.867 -10.187  -2.083
  139   3HG2  THR  49          3HG2      THR  49  -2.546 -10.668  -3.637
  140    H    TYR  50           H        TYR  50  -6.357  -9.552  -1.280
  141    HA   TYR  50           HA       TYR  50  -6.638 -12.462  -1.128
  142   1HB   TYR  50          1HB       TYR  50  -7.488 -11.994   1.011
  143   2HB   TYR  50          2HB       TYR  50  -6.435 -10.610   0.724
  144    HD1  TYR  50           1HD      TYR  50  -9.959 -11.774   0.674
  145    HD2  TYR  50           2HD      TYR  50  -7.317  -8.392   0.486
  146    HE1  TYR  50           1HE      TYR  50 -11.896 -10.248   0.940
  147    HE2  TYR  50           2HE      TYR  50  -9.254  -6.866   0.752
  148    HH   TYR  50           HH       TYR  50 -12.571  -8.147   1.072
  149    H    GLY  51           H        GLY  51  -8.414  -9.874  -2.574
  150   1HA   GLY  51          1HA       GLY  51 -10.787 -11.672  -2.876
  151   2HA   GLY  51          2HA       GLY  51 -10.896  -9.913  -2.874
  152   1HN   NH2  52          1H        GLY  51 -10.240 -12.715  -4.857
  153   2HN   NH2  52          2H        GLY  51  -9.978 -11.874  -6.309
  Start of MODEL    3
    1   1H    ACE  33          1H        ACE  33   7.499  15.689  -5.883
    2   2H    ACE  33          2H        ACE  33   7.525  14.157  -6.755
    3   3H    ACE  33          3H        ACE  33   7.820  14.186  -5.017
    4    H    PHE  34           H        PHE  34   5.769  12.624  -6.312
    5    HA   PHE  34           HA       PHE  34   3.182  13.872  -6.163
    6   1HB   PHE  34          2HB       PHE  34   4.273  11.059  -6.100
    7   2HB   PHE  34          1HB       PHE  34   2.542  11.356  -5.937
    8    HD1  PHE  34           1HD      PHE  34   5.463  11.622  -8.174
    9    HD2  PHE  34           2HD      PHE  34   1.230  12.237  -7.788
   10    HE1  PHE  34           1HE      PHE  34   5.278  11.896 -10.632
   11    HE2  PHE  34           2HE      PHE  34   1.044  12.509 -10.245
   12    HZ   PHE  34           HZ       PHE  34   3.068  12.339 -11.668
   13    HA   PRO  35           HA       PRO  35   2.639  14.294  -1.817
   14   1HB   PRO  35          2HB       PRO  35  -0.030  13.734  -1.610
   15   2HB   PRO  35          1HB       PRO  35   0.589  15.288  -2.201
   16   1HG   PRO  35          2HG       PRO  35  -0.447  12.948  -3.730
   17   2HG   PRO  35          1HG       PRO  35  -0.693  14.677  -4.014
   18   1HD   PRO  35          2HD       PRO  35   1.078  13.164  -5.424
   19   2HD   PRO  35          1HD       PRO  35   1.293  14.902  -5.137
   20    H    ARG  36           H        ARG  36   2.326  12.866   0.029
   21    HA   ARG  36           HA       ARG  36   2.980  10.111  -0.435
   22   1HB   ARG  36          2HB       ARG  36   3.609  11.290   1.588
   23   2HB   ARG  36          1HB       ARG  36   1.922  11.638   1.961
   24   1HG   ARG  36          2HG       ARG  36   2.991   9.673   3.222
   25   2HG   ARG  36          1HG       ARG  36   1.445   9.357   2.435
   26   1HD   ARG  36          2HD       ARG  36   2.670   8.404   0.472
   27   2HD   ARG  36          1HD       ARG  36   4.195   8.645   1.348
   28    HE   ARG  36           HE       ARG  36   2.250   6.560   1.898
   29   1HH1  ARG  36          1HH2      ARG  36   5.323   7.340   2.598
   30   2HH1  ARG  36          2HH2      ARG  36   5.273   6.978   4.291
   31   1HH2  ARG  36          1HH1      ARG  36   1.819   6.691   4.401
   32   2HH2  ARG  36          2HH1      ARG  36   3.291   6.611   5.311
   33    H    ILE  37           H        ILE  37  -0.088  11.798   0.023
   34    HA   ILE  37           HA       ILE  37  -1.820   9.694   0.708
   35    HB   ILE  37           HB       ILE  37  -2.233  11.940  -1.301
   36   1HG1  ILE  37          2HG1      ILE  37  -1.419  12.900   0.740
   37   2HG1  ILE  37          1HG1      ILE  37  -3.170  13.106   0.763
   38   1HG2  ILE  37          1HG2      ILE  37  -4.478  11.209   0.406
   39   2HG2  ILE  37          2HG2      ILE  37  -3.939   9.846  -0.574
   40   3HG2  ILE  37          3HG2      ILE  37  -4.413  11.357  -1.350
   41   1HD1  ILE  37          1HD1      ILE  37  -3.017  12.155   2.827
   42   2HD1  ILE  37          2HD1      ILE  37  -1.444  11.435   2.486
   43   3HD1  ILE  37          3HD1      ILE  37  -2.915  10.643   1.924
   44    H    TRP  38           H        TRP  38  -0.065  10.265  -2.249
   45    HA   TRP  38           HA       TRP  38  -1.659   8.572  -3.980
   46   1HB   TRP  38          2HB       TRP  38   0.007  10.387  -4.612
   47   2HB   TRP  38          1HB       TRP  38   1.289   9.263  -4.158
   48    HD1  TRP  38           HD       TRP  38   1.880   7.351  -5.804
   49    HE1  TRP  38           1HE      TRP  38   1.063   6.697  -8.160
   50    HE3  TRP  38           3HE      TRP  38  -2.199  10.398  -6.201
   51    HZ2  TRP  38           2HZ      TRP  38  -1.042   7.377  -9.974
   52    HZ3  TRP  38           3HZ      TRP  38  -3.591  10.374  -8.251
   53    HH2  TRP  38           HH       TRP  38  -3.018   8.868 -10.136
   54    H    LEU  39           H        LEU  39   1.114   8.049  -1.824
   55    HA   LEU  39           HA       LEU  39   1.708   5.356  -2.657
   56   1HB   LEU  39          2HB       LEU  39   3.148   6.941  -1.329
   57   2HB   LEU  39          1HB       LEU  39   2.068   6.695   0.043
   58    HG   LEU  39           HG       LEU  39   2.526   4.197  -0.217
   59   1HD1  LEU  39          1HD1      LEU  39   4.064   3.430  -1.726
   60   2HD1  LEU  39          2HD1      LEU  39   5.079   4.864  -1.572
   61   3HD1  LEU  39          3HD1      LEU  39   3.640   4.907  -2.590
   62   1HD2  LEU  39          1HD2      LEU  39   3.636   5.023   1.624
   63   2HD2  LEU  39          2HD2      LEU  39   4.438   6.294   0.700
   64   3HD2  LEU  39          3HD2      LEU  39   5.038   4.636   0.626
   65    H    HIS  40           H        HIS  40  -0.560   6.766  -0.352
   66    HA   HIS  40           HA       HIS  40  -1.318   4.403   1.053
   67   1HB   HIS  40          2HB       HIS  40  -1.857   6.778   1.638
   68   2HB   HIS  40          1HB       HIS  40  -2.974   6.828   0.273
   69    HD1  HIS  40           1HD      HIS  40  -2.403   4.601   3.331
   70    HD2  HIS  40           2HD      HIS  40  -5.528   6.105   1.018
   71    HE1  HIS  40           1HE      HIS  40  -4.547   3.794   4.412
   72    H    ASN  41           H        ASN  41  -2.438   5.808  -2.003
   73    HA   ASN  41           HA       ASN  41  -4.659   4.097  -2.500
   74   1HB   ASN  41          1HB       ASN  41  -2.645   5.445  -4.329
   75   2HB   ASN  41          2HB       ASN  41  -4.166   4.745  -4.884
   76   1HD2  ASN  41          1HD2      ASN  41  -3.636   7.546  -5.169
   77   2HD2  ASN  41          2HD2      ASN  41  -4.690   8.399  -4.148
   78    H    LEU  42           H        LEU  42  -1.182   3.654  -3.013
   79    HA   LEU  42           HA       LEU  42  -1.218   1.328  -4.639
   80   1HB   LEU  42          2HB       LEU  42   0.662   2.125  -2.387
   81   2HB   LEU  42          1HB       LEU  42   1.045   1.001  -3.691
   82    HG   LEU  42           HG       LEU  42   0.391   3.950  -3.972
   83   1HD1  LEU  42          1HD1      LEU  42   2.895   2.392  -4.678
   84   2HD1  LEU  42          2HD1      LEU  42   2.700   3.333  -3.199
   85   3HD1  LEU  42          3HD1      LEU  42   2.678   4.140  -4.768
   86   1HD2  LEU  42          1HD2      LEU  42   0.955   3.475  -6.414
   87   2HD2  LEU  42          2HD2      LEU  42  -0.593   2.841  -5.853
   88   3HD2  LEU  42          3HD2      LEU  42   0.792   1.763  -6.024
   89    H    GLY  43           H        GLY  43  -1.543   1.712  -1.120
   90   1HA   GLY  43          1HA       GLY  43  -1.366  -0.981  -0.324
   91   2HA   GLY  43          2HA       GLY  43  -2.386   0.214   0.482
   92    H    GLN  44           H        GLN  44  -3.840   0.668  -2.134
   93    HA   GLN  44           HA       GLN  44  -6.082  -1.012  -1.732
   94   1HB   GLN  44          2HB       GLN  44  -5.939   1.141  -3.025
   95   2HB   GLN  44          1HB       GLN  44  -5.108   0.266  -4.311
   96   1HG   GLN  44          2HG       GLN  44  -7.059  -1.227  -4.557
   97   2HG   GLN  44          1HG       GLN  44  -7.890  -0.355  -3.269
   98   1HE2  GLN  44          1HE2      GLN  44  -9.198  -0.355  -5.690
   99   2HE2  GLN  44          2HE2      GLN  44  -9.053   1.151  -6.460
  100    H    HIS  45           H        HIS  45  -3.183  -1.450  -3.714
  101    HA   HIS  45           HA       HIS  45  -4.008  -3.700  -5.255
  102   1HB   HIS  45          2HB       HIS  45  -1.303  -2.968  -4.081
  103   2HB   HIS  45          1HB       HIS  45  -1.560  -4.073  -5.433
  104    HD1  HIS  45           1HD      HIS  45  -3.204  -2.812  -7.402
  105    HD2  HIS  45           2HD      HIS  45  -0.742  -0.442  -5.013
  106    HE1  HIS  45           1HE      HIS  45  -2.920  -0.613  -8.627
  107    H    ILE  46           H        ILE  46  -2.763  -3.447  -1.944
  108    HA   ILE  46           HA       ILE  46  -2.394  -6.272  -1.498
  109    HB   ILE  46           HB       ILE  46  -2.953  -3.961   0.390
  110   1HG1  ILE  46          2HG1      ILE  46  -0.320  -5.178  -0.495
  111   2HG1  ILE  46          1HG1      ILE  46  -0.980  -3.666  -1.121
  112   1HG2  ILE  46          1HG2      ILE  46  -1.399  -6.435   1.088
  113   2HG2  ILE  46          2HG2      ILE  46  -3.161  -6.469   1.160
  114   3HG2  ILE  46          3HG2      ILE  46  -2.260  -5.323   2.154
  115   1HD1  ILE  46          1HD1      ILE  46  -1.150  -3.316   1.617
  116   2HD1  ILE  46          2HD1      ILE  46   0.130  -2.673   0.588
  117   3HD1  ILE  46          3HD1      ILE  46   0.363  -4.203   1.434
  118    H    TYR  47           H        TYR  47  -5.089  -4.034  -0.894
  119    HA   TYR  47           HA       TYR  47  -6.807  -5.912   0.438
  120   1HB   TYR  47          2HB       TYR  47  -7.295  -3.397  -1.186
  121   2HB   TYR  47          1HB       TYR  47  -8.545  -4.202  -0.237
  122    HD1  TYR  47           1HD      TYR  47  -5.715  -1.959  -0.160
  123    HD2  TYR  47           2HD      TYR  47  -8.176  -4.511   2.262
  124    HE1  TYR  47           1HE      TYR  47  -4.912  -0.797   1.878
  125    HE2  TYR  47           2HE      TYR  47  -7.375  -3.349   4.302
  126    HH   TYR  47           HH       TYR  47  -5.983  -0.453   4.338
  127    H    GLU  48           H        GLU  48  -6.177  -5.200  -2.953
  128    HA   GLU  48           HA       GLU  48  -8.457  -6.567  -4.064
  129   1HB   GLU  48          2HB       GLU  48  -5.689  -5.864  -5.086
  130   2HB   GLU  48          1HB       GLU  48  -6.960  -6.523  -6.116
  131   1HG   GLU  48          2HG       GLU  48  -8.426  -4.624  -5.514
  132   2HG   GLU  48          1HG       GLU  48  -7.146  -3.964  -4.495
  133    H    THR  49           H        THR  49  -5.373  -7.642  -2.810
  134    HA   THR  49           HA       THR  49  -5.133 -10.167  -4.110
  135    HB   THR  49           HB       THR  49  -4.399  -9.367  -1.274
  136    HG1  THR  49           1HG      THR  49  -2.754  -8.320  -2.120
  137   1HG2  THR  49          1HG2      THR  49  -2.602 -11.090  -2.830
  138   2HG2  THR  49          2HG2      THR  49  -4.173 -11.822  -2.505
  139   3HG2  THR  49          3HG2      THR  49  -3.167 -11.263  -1.168
  140    H    TYR  50           H        TYR  50  -7.014  -9.145  -1.282
  141    HA   TYR  50           HA       TYR  50  -7.810 -11.758  -0.393
  142   1HB   TYR  50          2HB       TYR  50  -9.117  -9.025  -0.186
  143   2HB   TYR  50          1HB       TYR  50  -9.566 -10.426   0.785
  144    HD1  TYR  50           1HD      TYR  50  -7.935 -11.413   2.395
  145    HD2  TYR  50           2HD      TYR  50  -7.123  -7.763   0.279
  146    HE1  TYR  50           1HE      TYR  50  -6.113 -10.891   3.994
  147    HE2  TYR  50           2HE      TYR  50  -5.301  -7.242   1.879
  148    HH   TYR  50           HH       TYR  50  -4.917  -8.866   4.819
  149    H    GLY  51           H        GLY  51  -9.068  -9.563  -2.861
  150   1HA   GLY  51          1HA       GLY  51 -10.328 -10.412  -4.763
  151   2HA   GLY  51          2HA       GLY  51 -10.898 -11.737  -3.748
  152   1HN   NH2  52          1H        GLY  51 -10.947  -8.639  -2.209
  153   2HN   NH2  52          2H        GLY  51 -12.612  -8.346  -2.365
  Start of MODEL    4
    1   1H    ACE  33          1H        ACE  33  -1.051  18.447  -1.905
    2   2H    ACE  33          2H        ACE  33  -1.874  16.932  -1.531
    3   3H    ACE  33          3H        ACE  33  -1.545  17.367  -3.208
    4    H    PHE  34           H        PHE  34  -0.128  16.173  -0.226
    5    HA   PHE  34           HA       PHE  34   2.614  16.087  -1.061
    6   1HB   PHE  34          2HB       PHE  34   0.847  14.870   1.000
    7   2HB   PHE  34          1HB       PHE  34   2.369  14.034   0.690
    8    HD1  PHE  34           1HD      PHE  34   1.078  16.114   2.964
    9    HD2  PHE  34           2HD      PHE  34   4.253  16.142   0.072
   10    HE1  PHE  34           1HE      PHE  34   2.284  17.816   4.305
   11    HE2  PHE  34           2HE      PHE  34   5.460  17.844   1.412
   12    HZ   PHE  34           HZ       PHE  34   4.475  18.681   3.530
   13    HA   PRO  35           HA       PRO  35   2.417  12.916  -4.108
   14   1HB   PRO  35          2HB       PRO  35   4.951  11.913  -3.892
   15   2HB   PRO  35          1HB       PRO  35   4.587  13.441  -4.716
   16   1HG   PRO  35          2HG       PRO  35   5.665  12.961  -1.982
   17   2HG   PRO  35          1HG       PRO  35   6.082  14.220  -3.154
   18   1HD   PRO  35          2HD       PRO  35   4.446  14.622  -1.000
   19   2HD   PRO  35          1HD       PRO  35   4.360  15.571  -2.497
   20    H    ARG  36           H        ARG  36   3.040  12.443  -0.760
   21    HA   ARG  36           HA       ARG  36   3.398   9.605  -0.656
   22   1HB   ARG  36          2HB       ARG  36   3.840  11.105   1.216
   23   2HB   ARG  36          1HB       ARG  36   2.149  11.599   1.261
   24   1HG   ARG  36          2HG       ARG  36   2.872   9.814   2.964
   25   2HG   ARG  36          1HG       ARG  36   1.433   9.458   2.010
   26   1HD   ARG  36          2HD       ARG  36   2.759   8.070   0.473
   27   2HD   ARG  36          1HD       ARG  36   4.240   8.474   1.364
   28    HE   ARG  36           HE       ARG  36   2.151   6.624   2.258
   29   1HH1  ARG  36          1HH1      ARG  36   5.233   6.674   2.721
   30   2HH1  ARG  36          2HH1      ARG  36   5.272   6.864   4.441
   31   1HH2  ARG  36          1HH2      ARG  36   1.939   7.791   4.680
   32   2HH2  ARG  36          2HH2      ARG  36   3.408   7.497   5.551
   33    H    ILE  37           H        ILE  37   0.532  11.619  -1.041
   34    HA   ILE  37           HA       ILE  37  -1.538   9.866  -0.307
   35    HB   ILE  37           HB       ILE  37  -1.285  11.745  -2.685
   36   1HG1  ILE  37          2HG1      ILE  37  -2.458  12.205   0.073
   37   2HG1  ILE  37          1HG1      ILE  37  -0.849  12.731  -0.421
   38   1HG2  ILE  37          1HG2      ILE  37  -3.838  10.944  -1.291
   39   2HG2  ILE  37          2HG2      ILE  37  -3.216  10.025  -2.661
   40   3HG2  ILE  37          3HG2      ILE  37  -3.643  11.725  -2.860
   41   1HD1  ILE  37          1HD1      ILE  37  -3.155  13.481  -2.167
   42   2HD1  ILE  37          2HD1      ILE  37  -1.668  14.369  -1.830
   43   3HD1  ILE  37          3HD1      ILE  37  -2.969  14.343  -0.639
   44    H    TRP  38           H        TRP  38   0.715   9.672  -2.958
   45    HA   TRP  38           HA       TRP  38  -0.778   7.832  -4.619
   46   1HB   TRP  38          2HB       TRP  38   2.120   8.641  -4.306
   47   2HB   TRP  38          1HB       TRP  38   1.616   7.449  -5.506
   48    HD1  TRP  38           HD       TRP  38   1.953  11.087  -5.006
   49    HE1  TRP  38           1HE      TRP  38   0.784  12.381  -6.907
   50    HE3  TRP  38           3HE      TRP  38  -0.710   7.293  -7.146
   51    HZ2  TRP  38           2HZ      TRP  38  -1.039  11.871  -9.052
   52    HZ3  TRP  38           3HZ      TRP  38  -2.152   7.723  -9.114
   53    HH2  TRP  38           HH       TRP  38  -2.320  10.005 -10.069
   54    H    LEU  39           H        LEU  39   1.467   7.477  -1.898
   55    HA   LEU  39           HA       LEU  39   1.832   4.621  -2.136
   56   1HB   LEU  39          2HB       LEU  39   3.241   6.291  -0.858
   57   2HB   LEU  39          1HB       LEU  39   1.936   6.393   0.325
   58    HG   LEU  39           HG       LEU  39   2.109   3.886   0.597
   59   1HD1  LEU  39          1HD1      LEU  39   4.401   4.395  -1.286
   60   2HD1  LEU  39          2HD1      LEU  39   3.183   3.121  -1.344
   61   3HD1  LEU  39          3HD1      LEU  39   4.473   3.055  -0.142
   62   1HD2  LEU  39          1HD2      LEU  39   4.527   4.138   1.687
   63   2HD2  LEU  39          2HD2      LEU  39   3.128   4.967   2.372
   64   3HD2  LEU  39          3HD2      LEU  39   4.250   5.842   1.329
   65    H    HIS  40           H        HIS  40  -0.531   6.694  -0.524
   66    HA   HIS  40           HA       HIS  40  -1.831   4.709   1.069
   67   1HB   HIS  40          2HB       HIS  40  -2.068   7.184   1.254
   68   2HB   HIS  40          1HB       HIS  40  -2.932   7.197  -0.283
   69    HD1  HIS  40           1HD      HIS  40  -3.232   5.378   3.070
   70    HD2  HIS  40           2HD      HIS  40  -5.655   6.982   0.081
   71    HE1  HIS  40           1HE      HIS  40  -5.624   5.066   3.842
   72    H    ASN  41           H        ASN  41  -2.370   5.808  -2.267
   73    HA   ASN  41           HA       ASN  41  -4.700   4.223  -2.806
   74   1HB   ASN  41          1HB       ASN  41  -2.472   5.261  -4.593
   75   2HB   ASN  41          2HB       ASN  41  -4.037   4.686  -5.168
   76   1HD2  ASN  41          1HD2      ASN  41  -5.793   5.816  -3.294
   77   2HD2  ASN  41          2HD2      ASN  41  -5.696   7.509  -3.368
   78    H    LEU  42           H        LEU  42  -1.237   3.537  -2.917
   79    HA   LEU  42           HA       LEU  42  -1.335   1.074  -4.377
   80   1HB   LEU  42          2HB       LEU  42   0.671   2.487  -3.835
   81   2HB   LEU  42          1HB       LEU  42   0.543   1.955  -2.160
   82    HG   LEU  42           HG       LEU  42   1.022  -0.309  -2.736
   83   1HD1  LEU  42          1HD2      LEU  42   0.220   0.609  -5.463
   84   2HD1  LEU  42          2HD2      LEU  42  -0.177  -0.890  -4.621
   85   3HD1  LEU  42          3HD2      LEU  42   1.414  -0.686  -5.356
   86   1HD2  LEU  42          1HD1      LEU  42   2.848   1.643  -3.117
   87   2HD2  LEU  42          2HD1      LEU  42   2.834   0.944  -4.737
   88   3HD2  LEU  42          3HD1      LEU  42   3.223  -0.065  -3.345
   89    H    GLY  43           H        GLY  43  -1.842   1.865  -0.962
   90   1HA   GLY  43          1HA       GLY  43  -1.741  -0.754   0.124
   91   2HA   GLY  43          2HA       GLY  43  -2.710   0.563   0.788
   92    H    GLN  44           H        GLN  44  -4.288   0.944  -1.623
   93    HA   GLN  44           HA       GLN  44  -6.451  -0.853  -1.140
   94   1HB   GLN  44          2HB       GLN  44  -6.477   1.433  -2.219
   95   2HB   GLN  44          1HB       GLN  44  -5.792   0.695  -3.668
   96   1HG   GLN  44          2HG       GLN  44  -7.738  -0.812  -3.826
   97   2HG   GLN  44          1HG       GLN  44  -8.420  -0.090  -2.368
   98   1HE2  GLN  44          1HE2      GLN  44 -10.013   0.110  -4.599
   99   2HE2  GLN  44          2HE2      GLN  44  -9.983   1.685  -5.231
  100    H    HIS  45           H        HIS  45  -3.755  -0.964  -3.444
  101    HA   HIS  45           HA       HIS  45  -4.664  -3.080  -5.112
  102   1HB   HIS  45          2HB       HIS  45  -2.678  -1.596  -5.456
  103   2HB   HIS  45          1HB       HIS  45  -1.854  -2.445  -4.148
  104    HD1  HIS  45           1HD      HIS  45  -3.619  -3.369  -7.412
  105    HD2  HIS  45           2HD      HIS  45  -0.392  -4.593  -5.073
  106    HE1  HIS  45           1HE      HIS  45  -2.501  -5.261  -8.669
  107    H    ILE  46           H        ILE  46  -2.962  -3.119  -1.989
  108    HA   ILE  46           HA       ILE  46  -2.484  -5.926  -1.807
  109    HB   ILE  46           HB       ILE  46  -3.098  -3.848   0.321
  110   1HG1  ILE  46          2HG1      ILE  46  -0.432  -4.799  -0.764
  111   2HG1  ILE  46          1HG1      ILE  46  -1.218  -3.295  -1.246
  112   1HG2  ILE  46          1HG2      ILE  46  -2.149  -6.677   0.402
  113   2HG2  ILE  46          2HG2      ILE  46  -3.155  -5.797   1.553
  114   3HG2  ILE  46          3HG2      ILE  46  -1.411  -5.536   1.527
  115   1HD1  ILE  46          1HD1      ILE  46  -0.664  -3.944   1.653
  116   2HD1  ILE  46          2HD1      ILE  46  -1.031  -2.373   0.936
  117   3HD1  ILE  46          3HD1      ILE  46   0.531  -3.137   0.637
  118    H    TYR  47           H        TYR  47  -5.303  -3.944  -1.005
  119    HA   TYR  47           HA       TYR  47  -6.859  -5.933   0.331
  120   1HB   TYR  47          2HB       TYR  47  -7.264  -3.470   0.277
  121   2HB   TYR  47          1HB       TYR  47  -7.720  -3.606  -1.421
  122    HD1  TYR  47           1HD      TYR  47  -9.820  -4.632  -2.090
  123    HD2  TYR  47           2HD      TYR  47  -8.678  -4.433   2.045
  124    HE1  TYR  47           1HE      TYR  47 -12.128  -5.248  -1.423
  125    HE2  TYR  47           2HE      TYR  47 -10.985  -5.049   2.712
  126    HH   TYR  47           HH       TYR  47 -12.931  -6.167   1.775
  127    H    GLU  48           H        GLU  48  -6.378  -5.196  -3.092
  128    HA   GLU  48           HA       GLU  48  -8.505  -6.867  -4.107
  129   1HB   GLU  48          2HB       GLU  48  -5.908  -5.818  -5.276
  130   2HB   GLU  48          1HB       GLU  48  -7.174  -6.591  -6.230
  131   1HG   GLU  48          2HG       GLU  48  -7.551  -4.113  -4.520
  132   2HG   GLU  48          1HG       GLU  48  -7.361  -4.112  -6.273
  133    H    THR  49           H        THR  49  -5.219  -7.468  -3.045
  134    HA   THR  49           HA       THR  49  -4.700  -9.947  -4.348
  135    HB   THR  49           HB       THR  49  -3.909  -9.003  -1.572
  136    HG1  THR  49           1HG      THR  49  -2.269  -8.680  -3.785
  137   1HG2  THR  49          1HG2      THR  49  -2.081 -10.558  -3.318
  138   2HG2  THR  49          2HG2      THR  49  -3.446 -11.442  -2.637
  139   3HG2  THR  49          3HG2      THR  49  -2.300 -10.630  -1.570
  140    H    TYR  50           H        TYR  50  -6.545  -9.170  -1.424
  141    HA   TYR  50           HA       TYR  50  -6.882 -11.868  -0.477
  142   1HB   TYR  50          2HB       TYR  50  -8.532  -9.337  -0.167
  143   2HB   TYR  50          1HB       TYR  50  -8.735 -10.787   0.817
  144    HD1  TYR  50           1HD      TYR  50  -6.877 -11.562   2.302
  145    HD2  TYR  50           2HD      TYR  50  -6.712  -7.818   0.202
  146    HE1  TYR  50           1HE      TYR  50  -5.045 -10.806   3.793
  147    HE2  TYR  50           2HE      TYR  50  -4.880  -7.063   1.694
  148    HH   TYR  50           HH       TYR  50  -3.645  -9.169   4.298
  149    H    GLY  51           H        GLY  51  -8.580  -9.901  -2.865
  150   1HA   GLY  51          2HA       GLY  51  -9.805 -11.004  -4.680
  151   2HA   GLY  51          1HA       GLY  51 -10.215 -12.299  -3.556
  152   1HN   NH2  52          1H        GLY  51 -10.493  -9.302  -1.989
  153   2HN   NH2  52          2H        GLY  51 -12.166  -9.078  -2.174
  Start of MODEL    5
    1   1H    ACE  33          1H        ACE  33   2.867  11.370  -7.552
    2   2H    ACE  33          2H        ACE  33   1.768  10.799  -6.297
    3   3H    ACE  33          3H        ACE  33   3.246   9.903  -6.649
    4    H    PHE  34           H        PHE  34   3.643  13.288  -6.765
    5    HA   PHE  34           HA       PHE  34   5.655  13.527  -4.872
    6   1HB   PHE  34          2HB       PHE  34   3.605  15.285  -6.099
    7   2HB   PHE  34          1HB       PHE  34   4.388  15.926  -4.654
    8    HD1  PHE  34           1HD      PHE  34   5.215  14.204  -7.883
    9    HD2  PHE  34           2HD      PHE  34   6.467  16.984  -4.856
   10    HE1  PHE  34           1HE      PHE  34   7.235  14.746  -9.215
   11    HE2  PHE  34           2HE      PHE  34   8.487  17.525  -6.188
   12    HZ   PHE  34           HZ       PHE  34   8.872  16.406  -8.368
   13    HA   PRO  35           HA       PRO  35   2.505  14.691  -1.421
   14   1HB   PRO  35          2HB       PRO  35  -0.074  13.853  -1.795
   15   2HB   PRO  35          1HB       PRO  35   0.488  15.478  -2.227
   16   1HG   PRO  35          2HG       PRO  35   0.055  13.093  -3.957
   17   2HG   PRO  35          1HG       PRO  35  -0.304  14.796  -4.276
   18   1HD   PRO  35          2HD       PRO  35   1.870  13.509  -5.284
   19   2HD   PRO  35          1HD       PRO  35   1.842  15.251  -4.945
   20    H    ARG  36           H        ARG  36   2.219  13.211   0.313
   21    HA   ARG  36           HA       ARG  36   3.083  10.506  -0.083
   22   1HB   ARG  36          2HB       ARG  36   3.436  11.674   1.998
   23   2HB   ARG  36          1HB       ARG  36   1.707  11.971   2.187
   24   1HG   ARG  36          2HG       ARG  36   2.636  10.049   3.574
   25   2HG   ARG  36          1HG       ARG  36   1.263   9.638   2.547
   26   1HD   ARG  36          2HD       ARG  36   2.723   8.633   0.884
   27   2HD   ARG  36          1HD       ARG  36   4.165   9.216   1.741
   28    HE   ARG  36           HE       ARG  36   3.919   7.266   3.057
   29   1HH1  ARG  36          1HH1      ARG  36   0.948   7.922   1.542
   30   2HH1  ARG  36          2HH1      ARG  36  -0.010   7.049   2.692
   31   1HH2  ARG  36          1HH2      ARG  36   2.651   6.408   4.819
   32   2HH2  ARG  36          2HH2      ARG  36   0.954   6.192   4.547
   33    H    ILE  37           H        ILE  37  -0.131  11.976   0.087
   34    HA   ILE  37           HA       ILE  37  -1.776   9.771   0.605
   35    HB   ILE  37           HB       ILE  37  -2.334  12.228   0.117
   36   1HG1  ILE  37          2HG1      ILE  37  -4.074  10.291  -1.413
   37   2HG1  ILE  37          1HG1      ILE  37  -3.977  10.260   0.347
   38   1HG2  ILE  37          1HG2      ILE  37  -1.104  11.993  -2.177
   39   2HG2  ILE  37          2HG2      ILE  37  -2.579  12.957  -2.102
   40   3HG2  ILE  37          3HG2      ILE  37  -2.631  11.311  -2.735
   41   1HD1  ILE  37          1HD1      ILE  37  -5.266  12.236  -1.437
   42   2HD1  ILE  37          2HD1      ILE  37  -4.349  12.927  -0.098
   43   3HD1  ILE  37          3HD1      ILE  37  -5.662  11.794   0.224
   44    H    TRP  38           H        TRP  38   0.243  10.411  -2.155
   45    HA   TRP  38           HA       TRP  38  -0.985   8.691  -4.089
   46   1HB   TRP  38          2HB       TRP  38   0.759  10.421  -4.502
   47   2HB   TRP  38          1HB       TRP  38   1.931   9.419  -3.644
   48    HD1  TRP  38           HD       TRP  38   3.229   7.760  -5.062
   49    HE1  TRP  38           1HE      TRP  38   2.965   6.745  -7.416
   50    HE3  TRP  38           3HE      TRP  38  -1.312   9.702  -6.356
   51    HZ2  TRP  38           2HZ      TRP  38   1.079   6.756  -9.565
   52    HZ3  TRP  38           3HZ      TRP  38  -2.318   9.186  -8.560
   53    HH2  TRP  38           HH       TRP  38  -1.129   7.716 -10.166
   54    H    LEU  39           H        LEU  39   1.393   8.086  -1.502
   55    HA   LEU  39           HA       LEU  39   2.004   5.368  -2.225
   56   1HB   LEU  39          2HB       LEU  39   3.308   6.860  -0.710
   57   2HB   LEU  39          1HB       LEU  39   2.002   6.764   0.471
   58    HG   LEU  39           HG       LEU  39   2.296   4.226   0.382
   59   1HD1  LEU  39          1HD1      LEU  39   4.156   5.025  -1.652
   60   2HD1  LEU  39          2HD1      LEU  39   3.732   3.392  -1.139
   61   3HD1  LEU  39          3HD1      LEU  39   5.052   4.250  -0.346
   62   1HD2  LEU  39          1HD2      LEU  39   3.131   5.103   2.352
   63   2HD2  LEU  39          2HD2      LEU  39   4.224   6.209   1.520
   64   3HD2  LEU  39          3HD2      LEU  39   4.630   4.498   1.648
   65    H    HIS  40           H        HIS  40  -0.621   6.863  -0.435
   66    HA   HIS  40           HA       HIS  40  -1.614   4.526   0.908
   67   1HB   HIS  40          2HB       HIS  40  -2.182   6.879   1.440
   68   2HB   HIS  40          1HB       HIS  40  -3.019   7.020  -0.106
   69    HD1  HIS  40           1HD      HIS  40  -3.155   4.808   3.005
   70    HD2  HIS  40           2HD      HIS  40  -5.686   6.317   0.056
   71    HE1  HIS  40           1HE      HIS  40  -5.497   4.068   3.624
   72    H    ASN  41           H        ASN  41  -2.062   5.799  -2.351
   73    HA   ASN  41           HA       ASN  41  -4.349   4.297  -3.142
   74   1HB   ASN  41          2HB       ASN  41  -3.167   6.216  -4.309
   75   2HB   ASN  41          1HB       ASN  41  -1.939   5.057  -4.818
   76   1HD2  ASN  41          1HD2      ASN  41  -2.696   5.576  -7.089
   77   2HD2  ASN  41          2HD2      ASN  41  -4.081   4.796  -7.687
   78    H    LEU  42           H        LEU  42  -0.890   3.454  -3.131
   79    HA   LEU  42           HA       LEU  42  -1.087   0.980  -4.552
   80   1HB   LEU  42          2HB       LEU  42   0.801   1.889  -2.354
   81   2HB   LEU  42          1HB       LEU  42   1.113   0.576  -3.489
   82    HG   LEU  42           HG       LEU  42   0.733   3.509  -4.163
   83   1HD1  LEU  42          1HD1      LEU  42   3.090   2.607  -5.280
   84   2HD1  LEU  42          2HD1      LEU  42   3.035   1.725  -3.752
   85   3HD1  LEU  42          3HD1      LEU  42   2.967   3.488  -3.757
   86   1HD2  LEU  42          1HD2      LEU  42  -0.161   2.628  -6.075
   87   2HD2  LEU  42          2HD2      LEU  42   0.543   1.036  -5.791
   88   3HD2  LEU  42          3HD2      LEU  42   1.529   2.327  -6.475
   89    H    GLY  43           H        GLY  43  -1.550   1.784  -1.126
   90   1HA   GLY  43          1HA       GLY  43  -1.548  -0.838  -0.058
   91   2HA   GLY  43          2HA       GLY  43  -2.452   0.511   0.626
   92    H    GLN  44           H        GLN  44  -4.067   0.934  -1.775
   93    HA   GLN  44           HA       GLN  44  -6.276  -0.781  -1.208
   94   1HB   GLN  44          1HB       GLN  44  -5.551   0.860  -3.659
   95   2HB   GLN  44          2HB       GLN  44  -7.163   0.234  -3.309
   96   1HG   GLN  44          2HG       GLN  44  -7.259   1.535  -1.243
   97   2HG   GLN  44          1HG       GLN  44  -5.604   2.092  -1.486
   98   1HE2  GLN  44          1HE2      GLN  44  -7.764   3.958  -1.293
   99   2HE2  GLN  44          2HE2      GLN  44  -7.974   4.698  -2.806
  100    H    HIS  45           H        HIS  45  -3.544  -1.147  -3.393
  101    HA   HIS  45           HA       HIS  45  -4.611  -3.132  -5.147
  102   1HB   HIS  45          2HB       HIS  45  -2.485  -1.857  -5.424
  103   2HB   HIS  45          1HB       HIS  45  -1.789  -2.767  -4.082
  104    HD1  HIS  45           1HD      HIS  45  -1.090  -5.198  -4.518
  105    HD2  HIS  45           2HD      HIS  45  -2.911  -3.410  -7.814
  106    HE1  HIS  45           1HE      HIS  45  -0.741  -6.772  -6.471
  107    H    ILE  46           H        ILE  46  -3.028  -3.389  -1.964
  108    HA   ILE  46           HA       ILE  46  -2.860  -6.244  -1.860
  109    HB   ILE  46           HB       ILE  46  -1.797  -4.416  -0.395
  110   1HG1  ILE  46          2HG1      ILE  46  -2.015  -5.911   1.696
  111   2HG1  ILE  46          1HG1      ILE  46  -3.070  -6.922   0.709
  112   1HG2  ILE  46          1HG2      ILE  46  -3.987  -4.688   1.549
  113   2HG2  ILE  46          2HG2      ILE  46  -4.433  -3.773   0.110
  114   3HG2  ILE  46          3HG2      ILE  46  -3.062  -3.257   1.092
  115   1HD1  ILE  46          1HD1      ILE  46  -1.211  -7.915  -0.098
  116   2HD1  ILE  46          2HD1      ILE  46  -0.171  -6.720   0.679
  117   3HD1  ILE  46          3HD1      ILE  46  -0.844  -6.398  -0.919
  118    H    TYR  47           H        TYR  47  -5.544  -4.077  -1.587
  119    HA   TYR  47           HA       TYR  47  -7.289  -5.713   0.026
  120   1HB   TYR  47          2HB       TYR  47  -7.511  -3.269  -0.403
  121   2HB   TYR  47          1HB       TYR  47  -7.877  -3.619  -2.093
  122    HD1  TYR  47           1HD      TYR  47 -10.011  -4.564  -2.756
  123    HD2  TYR  47           2HD      TYR  47  -9.095  -3.886   1.385
  124    HE1  TYR  47           1HE      TYR  47 -12.395  -4.917  -2.171
  125    HE2  TYR  47           2HE      TYR  47 -11.480  -4.237   1.970
  126    HH   TYR  47           HH       TYR  47 -13.801  -5.375  -0.403
  127    H    GLU  48           H        GLU  48  -6.591  -5.534  -3.430
  128    HA   GLU  48           HA       GLU  48  -8.772  -7.324  -4.208
  129   1HB   GLU  48          2HB       GLU  48  -6.297  -6.268  -5.613
  130   2HB   GLU  48          1HB       GLU  48  -7.608  -7.132  -6.415
  131   1HG   GLU  48          2HG       GLU  48  -9.202  -5.393  -5.668
  132   2HG   GLU  48          1HG       GLU  48  -7.882  -4.525  -4.886
  133    H    THR  49           H        THR  49  -5.616  -7.751  -2.920
  134    HA   THR  49           HA       THR  49  -4.931 -10.248  -4.222
  135    HB   THR  49           HB       THR  49  -4.063  -9.056  -1.568
  136    HG1  THR  49           1HG      THR  49  -2.648  -8.845  -3.974
  137   1HG2  THR  49          1HG2      THR  49  -2.867 -11.144  -3.400
  138   2HG2  THR  49          2HG2      THR  49  -3.328 -11.332  -1.708
  139   3HG2  THR  49          3HG2      THR  49  -1.941 -10.330  -2.139
  140    H    TYR  50           H        TYR  50  -6.430  -9.451  -1.065
  141    HA   TYR  50           HA       TYR  50  -6.726 -12.271  -0.342
  142   1HB   TYR  50          1HB       TYR  50  -7.469 -11.386   1.701
  143   2HB   TYR  50          2HB       TYR  50  -6.426 -10.099   1.103
  144    HD1  TYR  50           1HD      TYR  50  -9.952 -11.199   1.455
  145    HD2  TYR  50           2HD      TYR  50  -7.312  -7.956   0.471
  146    HE1  TYR  50           1HE      TYR  50 -11.867  -9.625   1.509
  147    HE2  TYR  50           2HE      TYR  50  -9.227  -6.382   0.525
  148    HH   TYR  50           HH       TYR  50 -12.104  -6.974   0.166
  149    H    GLY  51           H        GLY  51  -8.614  -9.921  -2.083
  150   1HA   GLY  51          1HA       GLY  51 -10.396 -11.192  -3.480
  151   2HA   GLY  51          2HA       GLY  51 -11.017 -11.686  -1.905
  152   1HN   NH2  52          1H        GLY  51 -13.049 -10.496  -2.550
  153   2HN   NH2  52          2H        GLY  51 -13.109  -8.811  -2.367
  Start of MODEL    6
    1   1H    ACE  33          1H        ACE  33   4.963  14.834   3.593
    2   2H    ACE  33          2H        ACE  33   5.353  13.404   2.638
    3   3H    ACE  33          3H        ACE  33   4.413  13.244   4.121
    4    H    PHE  34           H        PHE  34   3.545  16.021   2.380
    5    HA   PHE  34           HA       PHE  34   0.866  15.407   1.986
    6   1HB   PHE  34          2HB       PHE  34   2.256  17.563   1.600
    7   2HB   PHE  34          1HB       PHE  34   2.479  16.953  -0.040
    8    HD1  PHE  34           1HD      PHE  34   0.438  18.973   1.959
    9    HD2  PHE  34           2HD      PHE  34   0.198  15.996  -1.128
   10    HE1  PHE  34           1HE      PHE  34  -1.821  19.790   1.345
   11    HE2  PHE  34           2HE      PHE  34  -2.061  16.813  -1.742
   12    HZ   PHE  34           HZ       PHE  34  -3.070  18.710  -0.506
   13    HA   PRO  35           HA       PRO  35   1.822  13.714  -2.373
   14   1HB   PRO  35          2HB       PRO  35   4.347  12.781  -2.860
   15   2HB   PRO  35          1HB       PRO  35   3.829  14.432  -3.247
   16   1HG   PRO  35          2HG       PRO  35   5.396  13.426  -0.923
   17   2HG   PRO  35          1HG       PRO  35   5.608  14.907  -1.867
   18   1HD   PRO  35          2HD       PRO  35   4.418  14.846   0.572
   19   2HD   PRO  35          1HD       PRO  35   4.015  16.044  -0.672
   20    H    ARG  36           H        ARG  36   2.744  12.515   0.658
   21    HA   ARG  36           HA       ARG  36   3.259   9.753   0.046
   22   1HB   ARG  36          2HB       ARG  36   3.787  10.812   2.195
   23   2HB   ARG  36          1HB       ARG  36   2.075  11.123   2.483
   24   1HG   ARG  36          2HG       ARG  36   3.097   9.045   3.621
   25   2HG   ARG  36          1HG       ARG  36   1.581   8.823   2.749
   26   1HD   ARG  36          2HD       ARG  36   2.901   8.065   0.747
   27   2HD   ARG  36          1HD       ARG  36   4.369   8.151   1.741
   28    HE   ARG  36           HE       ARG  36   2.017   6.434   2.471
   29   1HH1  ARG  36          1HH1      ARG  36   4.922   7.354   3.715
   30   2HH1  ARG  36          2HH1      ARG  36   5.621   5.771   3.804
   31   1HH2  ARG  36          1HH2      ARG  36   3.107   4.267   1.948
   32   2HH2  ARG  36          2HH2      ARG  36   4.593   4.023   2.804
   33    H    ILE  37           H        ILE  37   0.298  11.636   0.362
   34    HA   ILE  37           HA       ILE  37  -1.638   9.648   0.797
   35    HB   ILE  37           HB       ILE  37  -3.135  11.205  -0.297
   36   1HG1  ILE  37          2HG1      ILE  37  -0.686  12.501  -1.523
   37   2HG1  ILE  37          1HG1      ILE  37  -1.731  11.371  -2.385
   38   1HG2  ILE  37          1HG2      ILE  37  -1.403  13.359   0.478
   39   2HG2  ILE  37          2HG2      ILE  37  -1.158  12.011   1.588
   40   3HG2  ILE  37          3HG2      ILE  37  -2.772  12.684   1.360
   41   1HD1  ILE  37          1HD1      ILE  37  -3.674  12.911  -1.792
   42   2HD1  ILE  37          2HD1      ILE  37  -2.513  13.566  -2.946
   43   3HD1  ILE  37          3HD1      ILE  37  -2.468  14.084  -1.261
   44    H    TRP  38           H        TRP  38   0.420  10.180  -1.951
   45    HA   TRP  38           HA       TRP  38  -1.144   8.696  -3.895
   46   1HB   TRP  38          2HB       TRP  38   1.729   9.611  -3.639
   47   2HB   TRP  38          1HB       TRP  38   1.154   8.725  -5.052
   48    HD1  TRP  38           HD       TRP  38   1.359  12.134  -3.649
   49    HE1  TRP  38           1HE      TRP  38  -0.046  13.779  -5.051
   50    HE3  TRP  38           3HE      TRP  38  -1.287   8.826  -6.498
   51    HZ2  TRP  38           2HZ      TRP  38  -2.029  13.701  -7.111
   52    HZ3  TRP  38           3HZ      TRP  38  -2.926   9.636  -8.170
   53    HH2  TRP  38           HH       TRP  38  -3.301  12.067  -8.480
   54    H    LEU  39           H        LEU  39   1.437   7.882  -1.586
   55    HA   LEU  39           HA       LEU  39   1.863   5.185  -2.538
   56   1HB   LEU  39          2HB       LEU  39   2.271   6.408   0.210
   57   2HB   LEU  39          1HB       LEU  39   3.080   4.975  -0.421
   58    HG   LEU  39           HG       LEU  39   3.332   7.807  -1.479
   59   1HD1  LEU  39          1HD1      LEU  39   5.048   7.921  -0.023
   60   2HD1  LEU  39          2HD1      LEU  39   5.827   6.601  -0.898
   61   3HD1  LEU  39          3HD1      LEU  39   4.778   6.251   0.476
   62   1HD2  LEU  39          1HD2      LEU  39   4.318   5.148  -2.526
   63   2HD2  LEU  39          2HD2      LEU  39   5.094   6.669  -2.963
   64   3HD2  LEU  39          3HD2      LEU  39   3.406   6.387  -3.388
   65    H    HIS  40           H        HIS  40  -0.327   6.679  -0.206
   66    HA   HIS  40           HA       HIS  40  -1.309   4.321   1.067
   67   1HB   HIS  40          2HB       HIS  40  -2.460   7.055   0.452
   68   2HB   HIS  40          1HB       HIS  40  -3.324   5.871   1.435
   69    HD1  HIS  40           1HD      HIS  40  -1.967   5.001   3.621
   70    HD2  HIS  40           2HD      HIS  40  -0.534   8.489   1.846
   71    HE1  HIS  40           1HE      HIS  40  -0.465   6.110   5.332
   72    H    ASN  41           H        ASN  41  -2.129   5.893  -1.985
   73    HA   ASN  41           HA       ASN  41  -4.541   4.476  -2.580
   74   1HB   ASN  41          1HB       ASN  41  -2.341   5.639  -4.321
   75   2HB   ASN  41          2HB       ASN  41  -3.923   5.144  -4.925
   76   1HD2  ASN  41          1HD2      ASN  41  -3.035   7.877  -5.085
   77   2HD2  ASN  41          2HD2      ASN  41  -4.011   8.812  -4.060
   78    H    LEU  42           H        LEU  42  -1.123   3.656  -3.004
   79    HA   LEU  42           HA       LEU  42  -1.447   1.366  -4.690
   80   1HB   LEU  42          2HB       LEU  42   0.612   1.990  -2.546
   81   2HB   LEU  42          1HB       LEU  42   0.825   0.852  -3.876
   82    HG   LEU  42           HG       LEU  42   0.393   3.845  -4.115
   83   1HD1  LEU  42          1HD1      LEU  42   2.734   2.125  -3.962
   84   2HD1  LEU  42          2HD1      LEU  42   2.642   3.886  -3.944
   85   3HD1  LEU  42          3HD1      LEU  42   2.697   3.022  -5.480
   86   1HD2  LEU  42          1HD2      LEU  42  -0.695   3.028  -6.010
   87   2HD2  LEU  42          2HD2      LEU  42   0.337   1.601  -6.109
   88   3HD2  LEU  42          3HD2      LEU  42   0.961   3.176  -6.600
   89    H    GLY  43           H        GLY  43  -1.754   1.828  -1.201
   90   1HA   GLY  43          1HA       GLY  43  -1.629  -0.851  -0.323
   91   2HA   GLY  43          2HA       GLY  43  -2.608   0.395   0.451
   92    H    GLN  44           H        GLN  44  -4.099   0.808  -2.145
   93    HA   GLN  44           HA       GLN  44  -6.339  -0.878  -1.641
   94   1HB   GLN  44          2HB       GLN  44  -5.419   0.629  -4.111
   95   2HB   GLN  44          1HB       GLN  44  -7.044  -0.021  -3.896
   96   1HG   GLN  44          2HG       GLN  44  -7.349   1.368  -1.889
   97   2HG   GLN  44          1HG       GLN  44  -5.710   1.996  -2.062
   98   1HE2  GLN  44          1HE2      GLN  44  -7.905   3.790  -2.117
   99   2HE2  GLN  44          2HE2      GLN  44  -8.075   4.409  -3.689
  100    H    HIS  45           H        HIS  45  -3.551  -1.264  -3.801
  101    HA   HIS  45           HA       HIS  45  -4.479  -3.456  -5.359
  102   1HB   HIS  45          2HB       HIS  45  -1.746  -2.644  -4.323
  103   2HB   HIS  45          1HB       HIS  45  -1.984  -3.902  -5.536
  104    HD1  HIS  45           1HD      HIS  45  -2.427  -0.189  -5.002
  105    HD2  HIS  45           2HD      HIS  45  -2.604  -2.952  -8.117
  106    HE1  HIS  45           1HE      HIS  45  -2.603   1.156  -7.141
  107    H    ILE  46           H        ILE  46  -2.966  -3.334  -2.147
  108    HA   ILE  46           HA       ILE  46  -2.614  -6.139  -1.741
  109    HB   ILE  46           HB       ILE  46  -3.224  -3.858   0.169
  110   1HG1  ILE  46          2HG1      ILE  46  -0.570  -5.098  -0.607
  111   2HG1  ILE  46          1HG1      ILE  46  -1.203  -3.609  -1.311
  112   1HG2  ILE  46          1HG2      ILE  46  -3.407  -5.539   1.681
  113   2HG2  ILE  46          2HG2      ILE  46  -1.658  -5.683   1.512
  114   3HG2  ILE  46          3HG2      ILE  46  -2.724  -6.729   0.574
  115   1HD1  ILE  46          1HD1      ILE  46   0.025  -4.062   1.321
  116   2HD1  ILE  46          2HD1      ILE  46  -1.486  -3.157   1.399
  117   3HD1  ILE  46          3HD1      ILE  46  -0.153  -2.564   0.408
  118    H    TYR  47           H        TYR  47  -5.385  -3.996  -1.287
  119    HA   TYR  47           HA       TYR  47  -7.103  -5.765   0.141
  120   1HB   TYR  47          2HB       TYR  47  -7.417  -3.324  -0.207
  121   2HB   TYR  47          1HB       TYR  47  -7.734  -3.621  -1.916
  122    HD1  TYR  47           1HD      TYR  47  -9.816  -4.633  -2.659
  123    HD2  TYR  47           2HD      TYR  47  -9.012  -4.053   1.521
  124    HE1  TYR  47           1HE      TYR  47 -12.197  -5.093  -2.137
  125    HE2  TYR  47           2HE      TYR  47 -11.393  -4.514   2.042
  126    HH   TYR  47           HH       TYR  47 -13.398  -6.042   0.277
  127    H    GLU  48           H        GLU  48  -6.361  -5.473  -3.299
  128    HA   GLU  48           HA       GLU  48  -8.501  -7.169  -4.252
  129   1HB   GLU  48          2HB       GLU  48  -5.798  -6.354  -5.366
  130   2HB   GLU  48          1HB       GLU  48  -7.038  -7.189  -6.303
  131   1HG   GLU  48          2HG       GLU  48  -8.615  -5.333  -5.854
  132   2HG   GLU  48          1HG       GLU  48  -7.357  -4.495  -4.945
  133    H    THR  49           H        THR  49  -5.301  -7.762  -2.941
  134    HA   THR  49           HA       THR  49  -4.856 -10.406  -3.923
  135    HB   THR  49           HB       THR  49  -4.079  -9.150  -1.270
  136    HG1  THR  49           1HG      THR  49  -2.685  -9.143  -3.734
  137   1HG2  THR  49          1HG2      THR  49  -2.027 -10.758  -2.350
  138   2HG2  THR  49          2HG2      THR  49  -3.513 -11.695  -2.507
  139   3HG2  THR  49          3HG2      THR  49  -3.010 -11.096  -0.926
  140    H    TYR  50           H        TYR  50  -6.681  -9.196  -1.126
  141    HA   TYR  50           HA       TYR  50  -7.175 -11.747   0.108
  142   1HB   TYR  50          1HB       TYR  50  -8.731  -9.139   0.110
  143   2HB   TYR  50          2HB       TYR  50  -8.943 -10.444   1.276
  144    HD1  TYR  50           1HD      TYR  50  -6.877  -7.624   0.251
  145    HD2  TYR  50           2HD      TYR  50  -7.071 -11.063   2.817
  146    HE1  TYR  50           1HE      TYR  50  -5.001  -6.723   1.601
  147    HE2  TYR  50           2HE      TYR  50  -5.195 -10.162   4.166
  148    HH   TYR  50           HH       TYR  50  -3.227  -8.534   3.719
  149    H    GLY  51           H        GLY  51  -8.770  -9.968  -2.495
  150   1HA   GLY  51          1HA       GLY  51 -10.947 -11.984  -2.593
  151   2HA   GLY  51          2HA       GLY  51 -10.907 -10.473  -3.502
  152   1HN   NH2  52          1H        GLY  51  -9.061 -10.393  -5.226
  153   2HN   NH2  52          2H        GLY  51  -8.749 -11.832  -6.073
  Start of MODEL    7
    1   1H    ACE  33          1H        ACE  33  -1.895  17.802  -0.955
    2   2H    ACE  33          2H        ACE  33  -2.359  16.413  -1.939
    3   3H    ACE  33          3H        ACE  33  -1.602  17.814  -2.694
    4    H    PHE  34           H        PHE  34  -0.740  15.968   0.245
    5    HA   PHE  34           HA       PHE  34   2.080  16.097  -0.244
    6   1HB   PHE  34          2HB       PHE  34   0.176  14.627   1.527
    7   2HB   PHE  34          1HB       PHE  34   1.824  14.008   1.422
    8    HD1  PHE  34           1HD      PHE  34   0.535  17.519   1.246
    9    HD2  PHE  34           2HD      PHE  34   2.905  14.657   3.402
   10    HE1  PHE  34           1HE      PHE  34   1.308  19.311   2.777
   11    HE2  PHE  34           2HE      PHE  34   3.678  16.449   4.932
   12    HZ   PHE  34           HZ       PHE  34   2.878  18.776   4.619
   13    HA   PRO  35           HA       PRO  35   2.512  13.078  -3.420
   14   1HB   PRO  35          2HB       PRO  35   5.040  12.195  -2.866
   15   2HB   PRO  35          1HB       PRO  35   4.713  13.740  -3.675
   16   1HG   PRO  35          2HG       PRO  35   5.392  13.191  -0.827
   17   2HG   PRO  35          1HG       PRO  35   5.922  14.513  -1.877
   18   1HD   PRO  35          2HD       PRO  35   3.964  14.768   0.008
   19   2HD   PRO  35          1HD       PRO  35   4.043  15.755  -1.466
   20    H    ARG  36           H        ARG  36   2.804  12.445  -0.018
   21    HA   ARG  36           HA       ARG  36   3.193   9.599  -0.089
   22   1HB   ARG  36          2HB       ARG  36   3.558  10.893   1.916
   23   2HB   ARG  36          1HB       ARG  36   1.905  11.506   1.883
   24   1HG   ARG  36          2HG       ARG  36   2.365   9.583   3.516
   25   2HG   ARG  36          1HG       ARG  36   0.998   9.363   2.425
   26   1HD   ARG  36          2HD       ARG  36   2.289   7.302   2.416
   27   2HD   ARG  36          1HD       ARG  36   2.583   8.112   0.866
   28    HE   ARG  36           HE       ARG  36   4.495   7.947   3.129
   29   1HH1  ARG  36          1HH2      ARG  36   4.750   7.456   0.024
   30   2HH1  ARG  36          2HH2      ARG  36   5.838   8.744  -0.372
   31   1HH2  ARG  36          1HH1      ARG  36   5.412  10.394   2.645
   32   2HH2  ARG  36          2HH1      ARG  36   6.212  10.406   1.110
   33    H    ILE  37           H        ILE  37   0.357  11.635  -0.524
   34    HA   ILE  37           HA       ILE  37  -1.757   9.863   0.016
   35    HB   ILE  37           HB       ILE  37  -1.367  11.841  -2.261
   36   1HG1  ILE  37          2HG1      ILE  37  -2.718  12.204   0.430
   37   2HG1  ILE  37          1HG1      ILE  37  -1.059  12.702   0.089
   38   1HG2  ILE  37          1HG2      ILE  37  -4.028  11.140  -1.069
   39   2HG2  ILE  37          2HG2      ILE  37  -3.330  10.069  -2.285
   40   3HG2  ILE  37          3HG2      ILE  37  -3.652  11.758  -2.678
   41   1HD1  ILE  37          1HD1      ILE  37  -3.365  14.217  -0.363
   42   2HD1  ILE  37          2HD1      ILE  37  -2.905  13.637  -1.963
   43   3HD1  ILE  37          3HD1      ILE  37  -1.754  14.558  -0.995
   44    H    TRP  38           H        TRP  38   0.596   9.828  -2.573
   45    HA   TRP  38           HA       TRP  38  -0.802   8.023  -4.349
   46   1HB   TRP  38          2HB       TRP  38   2.105   8.768  -3.905
   47   2HB   TRP  38          1HB       TRP  38   1.563   7.750  -5.241
   48    HD1  TRP  38           HD       TRP  38   2.226  11.238  -4.472
   49    HE1  TRP  38           1HE      TRP  38   1.065  12.814  -6.150
   50    HE3  TRP  38           3HE      TRP  38  -1.002   7.951  -6.677
   51    HZ2  TRP  38           2HZ      TRP  38  -0.966  12.694  -8.163
   52    HZ3  TRP  38           3HZ      TRP  38  -2.535   8.708  -8.470
   53    HH2  TRP  38           HH       TRP  38  -2.523  11.072  -9.216
   54    H    LEU  39           H        LEU  39   1.277   7.618  -1.527
   55    HA   LEU  39           HA       LEU  39   1.764   4.783  -1.849
   56   1HB   LEU  39          2HB       LEU  39   3.058   6.424  -0.439
   57   2HB   LEU  39          1HB       LEU  39   1.675   6.503   0.652
   58    HG   LEU  39           HG       LEU  39   1.863   3.952   0.825
   59   1HD1  LEU  39          1HD1      LEU  39   4.259   4.651  -0.808
   60   2HD1  LEU  39          2HD1      LEU  39   3.267   3.192  -0.835
   61   3HD1  LEU  39          3HD1      LEU  39   4.464   3.421   0.440
   62   1HD2  LEU  39          1HD2      LEU  39   2.527   5.267   2.704
   63   2HD2  LEU  39          2HD2      LEU  39   3.980   5.838   1.883
   64   3HD2  LEU  39          3HD2      LEU  39   3.865   4.157   2.407
   65    H    HIS  40           H        HIS  40  -0.812   6.729  -0.462
   66    HA   HIS  40           HA       HIS  40  -2.116   4.653   1.050
   67   1HB   HIS  40          2HB       HIS  40  -2.436   7.101   1.329
   68   2HB   HIS  40          1HB       HIS  40  -3.188   7.174  -0.265
   69    HD1  HIS  40           1HD      HIS  40  -3.692   5.251   3.001
   70    HD2  HIS  40           2HD      HIS  40  -5.923   6.824  -0.149
   71    HE1  HIS  40           1HE      HIS  40  -6.124   4.838   3.571
   72    H    ASN  41           H        ASN  41  -2.402   5.787  -2.297
   73    HA   ASN  41           HA       ASN  41  -4.710   4.218  -3.008
   74   1HB   ASN  41          2HB       ASN  41  -3.703   6.222  -4.193
   75   2HB   ASN  41          1HB       ASN  41  -2.417   5.156  -4.759
   76   1HD2  ASN  41          1HD2      ASN  41  -3.703   6.109  -6.864
   77   2HD2  ASN  41          2HD2      ASN  41  -4.877   5.049  -7.480
   78    H    LEU  42           H        LEU  42  -1.215   3.594  -3.090
   79    HA   LEU  42           HA       LEU  42  -1.273   1.142  -4.557
   80   1HB   LEU  42          2HB       LEU  42   0.714   2.560  -4.026
   81   2HB   LEU  42          1HB       LEU  42   0.586   2.061  -2.339
   82    HG   LEU  42           HG       LEU  42   0.765  -0.339  -3.152
   83   1HD1  LEU  42          1HD1      LEU  42   1.800  -0.606  -5.417
   84   2HD1  LEU  42          2HD1      LEU  42   1.509   1.109  -5.712
   85   3HD1  LEU  42          3HD1      LEU  42   0.148   0.010  -5.484
   86   1HD2  LEU  42          1HD2      LEU  42   3.010  -0.233  -2.786
   87   2HD2  LEU  42          2HD2      LEU  42   2.705   1.480  -2.501
   88   3HD2  LEU  42          3HD2      LEU  42   3.262   0.934  -4.083
   89    H    GLY  43           H        GLY  43  -1.691   1.850  -1.099
   90   1HA   GLY  43          1HA       GLY  43  -1.556  -0.783  -0.081
   91   2HA   GLY  43          2HA       GLY  43  -2.528   0.503   0.632
   92    H    GLN  44           H        GLN  44  -4.173   0.890  -1.748
   93    HA   GLN  44           HA       GLN  44  -6.280  -0.970  -1.216
   94   1HB   GLN  44          2HB       GLN  44  -5.675   0.825  -3.589
   95   2HB   GLN  44          1HB       GLN  44  -7.239   0.070  -3.283
   96   1HG   GLN  44          2HG       GLN  44  -7.416   1.248  -1.140
   97   2HG   GLN  44          1HG       GLN  44  -5.818   1.957  -1.377
   98   1HE2  GLN  44          1HE2      GLN  44  -8.099   3.636  -1.069
   99   2HE2  GLN  44          2HE2      GLN  44  -8.410   4.414  -2.545
  100    H    HIS  45           H        HIS  45  -3.652  -0.984  -3.592
  101    HA   HIS  45           HA       HIS  45  -4.626  -3.056  -5.298
  102   1HB   HIS  45          2HB       HIS  45  -2.712  -1.512  -5.723
  103   2HB   HIS  45          1HB       HIS  45  -1.783  -2.361  -4.487
  104    HD1  HIS  45           1HD      HIS  45  -3.717  -3.271  -7.657
  105    HD2  HIS  45           2HD      HIS  45  -0.313  -4.437  -5.554
  106    HE1  HIS  45           1HE      HIS  45  -2.622  -5.099  -9.025
  107    H    ILE  46           H        ILE  46  -2.705  -3.167  -2.300
  108    HA   ILE  46           HA       ILE  46  -2.203  -5.985  -2.286
  109    HB   ILE  46           HB       ILE  46  -2.547  -3.984  -0.029
  110   1HG1  ILE  46          2HG1      ILE  46  -0.023  -4.900  -1.439
  111   2HG1  ILE  46          1HG1      ILE  46  -0.863  -3.393  -1.808
  112   1HG2  ILE  46          1HG2      ILE  46  -1.424  -5.511   1.373
  113   2HG2  ILE  46          2HG2      ILE  46  -0.845  -6.472   0.012
  114   3HG2  ILE  46          3HG2      ILE  46  -2.546  -6.531   0.472
  115   1HD1  ILE  46          1HD1      ILE  46   1.110  -3.645   0.084
  116   2HD1  ILE  46          2HD1      ILE  46  -0.347  -3.820   1.064
  117   3HD1  ILE  46          3HD1      ILE  46  -0.114  -2.374   0.082
  118    H    TYR  47           H        TYR  47  -4.911  -4.035  -1.117
  119    HA   TYR  47           HA       TYR  47  -6.286  -6.099   0.326
  120   1HB   TYR  47          2HB       TYR  47  -7.188  -3.576  -1.101
  121   2HB   TYR  47          1HB       TYR  47  -8.215  -4.502  -0.009
  122    HD1  TYR  47           1HD      TYR  47  -5.025  -4.958   1.265
  123    HD2  TYR  47           2HD      TYR  47  -8.019  -1.899   0.878
  124    HE1  TYR  47           1HE      TYR  47  -4.047  -3.753   3.200
  125    HE2  TYR  47           2HE      TYR  47  -7.039  -0.697   2.811
  126    HH   TYR  47           HH       TYR  47  -4.117  -1.916   4.445
  127    H    GLU  48           H        GLU  48  -6.154  -5.241  -3.083
  128    HA   GLU  48           HA       GLU  48  -8.488  -6.659  -3.971
  129   1HB   GLU  48          2HB       GLU  48  -5.866  -5.940  -5.320
  130   2HB   GLU  48          1HB       GLU  48  -7.313  -6.475  -6.175
  131   1HG   GLU  48          2HG       GLU  48  -7.182  -4.049  -4.359
  132   2HG   GLU  48          1HG       GLU  48  -7.095  -3.986  -6.120
  133    H    THR  49           H        THR  49  -5.439  -7.790  -2.826
  134    HA   THR  49           HA       THR  49  -5.313 -10.253  -4.363
  135    HB   THR  49           HB       THR  49  -3.575 -10.801  -2.694
  136    HG1  THR  49           1HG      THR  49  -3.328  -8.870  -1.152
  137   1HG2  THR  49          1HG2      THR  49  -3.700  -8.385  -4.276
  138   2HG2  THR  49          2HG2      THR  49  -2.323  -9.447  -3.977
  139   3HG2  THR  49          3HG2      THR  49  -2.686  -8.135  -2.855
  140    H    TYR  50           H        TYR  50  -6.511  -9.411  -1.101
  141    HA   TYR  50           HA       TYR  50  -7.418 -12.178  -0.635
  142   1HB   TYR  50          1HB       TYR  50  -7.727 -11.428   1.576
  143   2HB   TYR  50          2HB       TYR  50  -6.395 -10.423   1.012
  144    HD1  TYR  50           1HD      TYR  50  -6.684  -8.048   0.610
  145    HD2  TYR  50           2HD      TYR  50 -10.012 -10.505   1.763
  146    HE1  TYR  50           1HE      TYR  50  -8.031  -6.015   1.058
  147    HE2  TYR  50           2HE      TYR  50 -11.359  -8.472   2.212
  148    HH   TYR  50           HH       TYR  50 -10.496  -5.800   2.854
  149    H    GLY  51           H        GLY  51  -8.670  -9.374  -2.117
  150   1HA   GLY  51          2HA       GLY  51 -11.453  -9.683  -1.376
  151   2HA   GLY  51          1HA       GLY  51 -10.848  -8.724  -2.726
  152   1HN   NH2  52          1H        GLY  51 -12.568 -11.555  -1.956
  153   2HN   NH2  52          2H        GLY  51 -12.457 -12.327  -3.464
  Start of MODEL    8
    1   1H    ACE  33          1H        ACE  33  -4.420  17.339   0.968
    2   2H    ACE  33          2H        ACE  33  -4.571  15.685   1.566
    3   3H    ACE  33          3H        ACE  33  -4.617  16.004  -0.169
    4    H    PHE  34           H        PHE  34  -2.611  15.151   2.422
    5    HA   PHE  34           HA       PHE  34  -0.094  16.261   1.596
    6   1HB   PHE  34          2HB       PHE  34  -0.947  13.816   3.169
    7   2HB   PHE  34          1HB       PHE  34   0.744  14.287   2.994
    8    HD1  PHE  34           1HD      PHE  34  -2.277  14.794   4.842
    9    HD2  PHE  34           2HD      PHE  34   1.363  16.727   3.634
   10    HE1  PHE  34           1HE      PHE  34  -2.549  16.448   6.669
   11    HE2  PHE  34           2HE      PHE  34   1.092  18.381   5.461
   12    HZ   PHE  34           HZ       PHE  34  -0.865  18.242   6.978
   13    HA   PRO  35           HA       PRO  35   0.771  13.969  -2.042
   14   1HB   PRO  35          2HB       PRO  35   3.475  13.627  -1.812
   15   2HB   PRO  35          1HB       PRO  35   2.732  15.165  -2.293
   16   1HG   PRO  35          2HG       PRO  35   3.789  14.310   0.359
   17   2HG   PRO  35          1HG       PRO  35   3.917  15.877  -0.451
   18   1HD   PRO  35          2HD       PRO  35   2.142  15.362   1.550
   19   2HD   PRO  35          1HD       PRO  35   1.853  16.560   0.272
   20    H    ARG  36           H        ARG  36   1.502  12.837   1.155
   21    HA   ARG  36           HA       ARG  36   2.541  10.237   0.544
   22   1HB   ARG  36          2HB       ARG  36   2.660  11.271   2.754
   23   2HB   ARG  36          1HB       ARG  36   0.900  11.297   2.866
   24   1HG   ARG  36          2HG       ARG  36   2.126   9.367   4.066
   25   2HG   ARG  36          1HG       ARG  36   0.765   8.933   3.032
   26   1HD   ARG  36          2HD       ARG  36   2.334   8.396   1.187
   27   2HD   ARG  36          1HD       ARG  36   3.701   8.820   2.236
   28    HE   ARG  36           HE       ARG  36   2.194   6.356   2.373
   29   1HH1  ARG  36          1HH2      ARG  36   4.994   7.295   3.488
   30   2HH1  ARG  36          2HH2      ARG  36   4.765   6.915   5.163
   31   1HH2  ARG  36          1HH1      ARG  36   1.333   6.505   4.876
   32   2HH2  ARG  36          2HH1      ARG  36   2.692   6.467   5.948
   33    H    ILE  37           H        ILE  37  -0.761  11.511   0.652
   34    HA   ILE  37           HA       ILE  37  -2.289   9.168   0.816
   35    HB   ILE  37           HB       ILE  37  -3.961  10.444  -0.386
   36   1HG1  ILE  37          2HG1      ILE  37  -1.703  12.230  -1.335
   37   2HG1  ILE  37          1HG1      ILE  37  -2.455  10.977  -2.321
   38   1HG2  ILE  37          1HG2      ILE  37  -2.317  11.591   1.674
   39   2HG2  ILE  37          2HG2      ILE  37  -4.042  11.826   1.387
   40   3HG2  ILE  37          3HG2      ILE  37  -2.866  12.876   0.598
   41   1HD1  ILE  37          1HD1      ILE  37  -4.489  12.634  -1.107
   42   2HD1  ILE  37          2HD1      ILE  37  -4.181  12.336  -2.818
   43   3HD1  ILE  37          3HD1      ILE  37  -3.336  13.640  -1.983
   44    H    TRP  38           H        TRP  38  -0.173  10.271  -1.718
   45    HA   TRP  38           HA       TRP  38  -1.145   8.687  -3.903
   46   1HB   TRP  38          2HB       TRP  38   0.482  10.613  -3.944
   47   2HB   TRP  38          1HB       TRP  38   1.691   9.542  -3.237
   48    HD1  TRP  38           HD       TRP  38  -0.386  10.025  -6.421
   49    HE1  TRP  38           1HE      TRP  38   0.755   8.744  -8.345
   50    HE3  TRP  38           3HE      TRP  38   3.295   7.626  -3.821
   51    HZ2  TRP  38           2HZ      TRP  38   2.943   6.940  -8.730
   52    HZ3  TRP  38           3HZ      TRP  38   4.892   6.133  -4.989
   53    HH2  TRP  38           HH       TRP  38   4.721   5.787  -7.438
   54    H    LEU  39           H        LEU  39   1.177   8.024  -1.281
   55    HA   LEU  39           HA       LEU  39   1.968   5.410  -2.241
   56   1HB   LEU  39          1HB       LEU  39   1.978   6.663   0.526
   57   2HB   LEU  39          2HB       LEU  39   2.915   5.247   0.044
   58    HG   LEU  39           HG       LEU  39   3.153   8.009  -1.194
   59   1HD1  LEU  39          1HD1      LEU  39   5.566   7.094   0.011
   60   2HD1  LEU  39          2HD1      LEU  39   4.277   6.877   1.195
   61   3HD1  LEU  39          3HD1      LEU  39   4.572   8.469   0.494
   62   1HD2  LEU  39          1HD2      LEU  39   4.798   5.489  -1.593
   63   2HD2  LEU  39          2HD2      LEU  39   5.084   7.046  -2.368
   64   3HD2  LEU  39          3HD2      LEU  39   3.627   6.127  -2.746
   65    H    HIS  40           H        HIS  40  -0.654   6.629  -0.235
   66    HA   HIS  40           HA       HIS  40  -1.503   4.159   0.936
   67   1HB   HIS  40          2HB       HIS  40  -2.168   6.482   1.592
   68   2HB   HIS  40          1HB       HIS  40  -3.117   6.593   0.110
   69    HD1  HIS  40           1HD      HIS  40  -5.325   5.262  -0.005
   70    HD2  HIS  40           2HD      HIS  40  -3.251   4.711   3.570
   71    HE1  HIS  40           1HE      HIS  40  -6.913   4.073   1.568
   72    H    ASN  41           H        ASN  41  -2.206   5.704  -2.170
   73    HA   ASN  41           HA       ASN  41  -4.365   4.140  -3.078
   74   1HB   ASN  41          2HB       ASN  41  -3.174   6.145  -4.134
   75   2HB   ASN  41          1HB       ASN  41  -1.975   4.998  -4.731
   76   1HD2  ASN  41          1HD2      ASN  41  -3.305   6.278  -6.729
   77   2HD2  ASN  41          2HD2      ASN  41  -4.492   5.287  -7.429
   78    H    LEU  42           H        LEU  42  -0.879   3.417  -3.099
   79    HA   LEU  42           HA       LEU  42  -0.943   1.005  -4.605
   80   1HB   LEU  42          2HB       LEU  42   0.798   1.818  -2.251
   81   2HB   LEU  42          1HB       LEU  42   1.206   0.595  -3.454
   82    HG   LEU  42           HG       LEU  42   0.778   3.556  -3.958
   83   1HD1  LEU  42          1HD1      LEU  42   3.152   1.736  -3.768
   84   2HD1  LEU  42          2HD1      LEU  42   2.961   3.389  -3.182
   85   3HD1  LEU  42          3HD1      LEU  42   3.210   3.085  -4.902
   86   1HD2  LEU  42          1HD2      LEU  42   1.385   1.298  -5.892
   87   2HD2  LEU  42          2HD2      LEU  42   1.356   3.013  -6.303
   88   3HD2  LEU  42          3HD2      LEU  42  -0.128   2.201  -5.804
   89    H    GLY  43           H        GLY  43  -1.614   1.652  -1.185
   90   1HA   GLY  43          1HA       GLY  43  -1.666  -1.040  -0.257
   91   2HA   GLY  43          2HA       GLY  43  -2.566   0.291   0.472
   92    H    GLN  44           H        GLN  44  -3.988   0.851  -2.084
   93    HA   GLN  44           HA       GLN  44  -6.335  -0.701  -1.684
   94   1HB   GLN  44          2HB       GLN  44  -6.042   1.523  -2.866
   95   2HB   GLN  44          1HB       GLN  44  -5.387   0.632  -4.239
   96   1HG   GLN  44          2HG       GLN  44  -7.477  -0.634  -4.446
   97   2HG   GLN  44          1HG       GLN  44  -8.132   0.184  -3.028
   98   1HE2  GLN  44          1HE2      GLN  44  -9.622   0.498  -5.313
   99   2HE2  GLN  44          2HE2      GLN  44  -9.409   2.048  -5.974
  100    H    HIS  45           H        HIS  45  -3.550  -1.182  -3.829
  101    HA   HIS  45           HA       HIS  45  -4.583  -3.295  -5.434
  102   1HB   HIS  45          2HB       HIS  45  -2.486  -2.045  -5.833
  103   2HB   HIS  45          1HB       HIS  45  -1.778  -2.772  -4.390
  104    HD1  HIS  45           1HD      HIS  45  -3.457  -4.012  -7.596
  105    HD2  HIS  45           2HD      HIS  45  -0.371  -5.061  -4.998
  106    HE1  HIS  45           1HE      HIS  45  -2.381  -6.091  -8.564
  107    H    ILE  46           H        ILE  46  -3.039  -3.308  -2.232
  108    HA   ILE  46           HA       ILE  46  -2.809  -6.142  -1.911
  109    HB   ILE  46           HB       ILE  46  -3.239  -3.885   0.075
  110   1HG1  ILE  46          2HG1      ILE  46  -0.679  -5.228  -0.839
  111   2HG1  ILE  46          1HG1      ILE  46  -1.262  -3.685  -1.465
  112   1HG2  ILE  46          1HG2      ILE  46  -2.317  -6.749   0.416
  113   2HG2  ILE  46          2HG2      ILE  46  -3.679  -5.954   1.207
  114   3HG2  ILE  46          3HG2      ILE  46  -2.027  -5.498   1.626
  115   1HD1  ILE  46          1HD1      ILE  46  -1.422  -3.246   1.227
  116   2HD1  ILE  46          2HD1      ILE  46  -0.031  -2.801   0.239
  117   3HD1  ILE  46          3HD1      ILE  46  -0.022  -4.314   1.144
  118    H    TYR  47           H        TYR  47  -5.464  -3.879  -1.359
  119    HA   TYR  47           HA       TYR  47  -7.228  -5.541   0.121
  120   1HB   TYR  47          2HB       TYR  47  -7.431  -3.091  -0.348
  121   2HB   TYR  47          1HB       TYR  47  -7.849  -3.476  -2.017
  122    HD1  TYR  47           1HD      TYR  47  -9.999  -4.464  -2.587
  123    HD2  TYR  47           2HD      TYR  47  -8.966  -3.622   1.496
  124    HE1  TYR  47           1HE      TYR  47 -12.366  -4.785  -1.923
  125    HE2  TYR  47           2HE      TYR  47 -11.334  -3.943   2.161
  126    HH   TYR  47           HH       TYR  47 -13.445  -5.491   0.746
  127    H    GLU  48           H        GLU  48  -6.544  -5.371  -3.339
  128    HA   GLU  48           HA       GLU  48  -8.722  -7.171  -4.102
  129   1HB   GLU  48          2HB       GLU  48  -6.254  -6.110  -5.514
  130   2HB   GLU  48          1HB       GLU  48  -7.550  -7.000  -6.313
  131   1HG   GLU  48          2HG       GLU  48  -9.169  -5.273  -5.598
  132   2HG   GLU  48          1HG       GLU  48  -7.864  -4.378  -4.818
  133    H    THR  49           H        THR  49  -5.627  -7.589  -2.737
  134    HA   THR  49           HA       THR  49  -4.909 -10.099  -4.026
  135    HB   THR  49           HB       THR  49  -4.034  -8.832  -1.410
  136    HG1  THR  49           1HG      THR  49  -3.267  -8.501  -4.100
  137   1HG2  THR  49          1HG2      THR  49  -1.877 -10.131  -2.175
  138   2HG2  THR  49          2HG2      THR  49  -3.030 -11.107  -3.087
  139   3HG2  THR  49          3HG2      THR  49  -3.167 -10.990  -1.333
  140    H    TYR  50           H        TYR  50  -6.382  -9.222  -0.883
  141    HA   TYR  50           HA       TYR  50  -6.672 -12.004  -0.058
  142   1HB   TYR  50          1HB       TYR  50  -7.430 -11.043   1.933
  143   2HB   TYR  50          2HB       TYR  50  -6.450  -9.736   1.276
  144    HD1  TYR  50           1HD      TYR  50  -7.440  -7.673   0.538
  145    HD2  TYR  50           2HD      TYR  50  -9.918 -10.985   1.694
  146    HE1  TYR  50           1HE      TYR  50  -9.428  -6.190   0.526
  147    HE2  TYR  50           2HE      TYR  50 -11.906  -9.503   1.682
  148    HH   TYR  50           HH       TYR  50 -12.645  -7.424   1.445
  149    H    GLY  51           H        GLY  51  -8.618  -9.704  -1.845
  150   1HA   GLY  51          1HA       GLY  51 -10.379 -11.579  -2.946
  151   2HA   GLY  51          2HA       GLY  51 -11.158 -11.027  -1.463
  152   1HN   NH2  52          1H        GLY  51 -12.777 -10.178  -3.211
  153   2HN   NH2  52          2H        GLY  51 -12.480  -8.626  -3.830
  Start of MODEL    9
    1   1H    ACE  33          1H        ACE  33   4.148  16.306   0.252
    2   2H    ACE  33          2H        ACE  33   4.459  14.590  -0.013
    3   3H    ACE  33          3H        ACE  33   3.546  15.112   1.403
    4    H    PHE  34           H        PHE  34   2.585  17.067  -1.086
    5    HA   PHE  34           HA       PHE  34  -0.064  16.274  -1.252
    6   1HB   PHE  34          2HB       PHE  34   1.526  18.136  -2.423
    7   2HB   PHE  34          1HB       PHE  34   1.225  17.079  -3.803
    8    HD1  PHE  34           1HD      PHE  34  -0.290  19.356  -1.346
    9    HD2  PHE  34           2HD      PHE  34  -1.046  16.737  -4.664
   10    HE1  PHE  34           1HE      PHE  34  -2.559  20.327  -1.596
   11    HE2  PHE  34           2HE      PHE  34  -3.314  17.707  -4.915
   12    HZ   PHE  34           HZ       PHE  34  -4.070  19.503  -3.380
   13    HA   PRO  35           HA       PRO  35   0.935  13.305  -4.832
   14   1HB   PRO  35          2HB       PRO  35   3.518  12.470  -5.167
   15   2HB   PRO  35          1HB       PRO  35   2.838  13.881  -6.001
   16   1HG   PRO  35          2HG       PRO  35   4.567  13.755  -3.577
   17   2HG   PRO  35          1HG       PRO  35   4.612  14.890  -4.933
   18   1HD   PRO  35          2HD       PRO  35   3.509  15.481  -2.521
   19   2HD   PRO  35          1HD       PRO  35   2.964  16.210  -4.044
   20    H    ARG  36           H        ARG  36   2.146  13.168  -1.652
   21    HA   ARG  36           HA       ARG  36   2.879  10.405  -1.430
   22   1HB   ARG  36          2HB       ARG  36   3.373  12.107   0.265
   23   2HB   ARG  36          1HB       ARG  36   1.650  12.351   0.550
   24   1HG   ARG  36          2HG       ARG  36   2.931  10.803   2.187
   25   2HG   ARG  36          1HG       ARG  36   1.387  10.236   1.556
   26   1HD   ARG  36          2HD       ARG  36   2.589   8.924  -0.186
   27   2HD   ARG  36          1HD       ARG  36   4.135   9.473   0.492
   28    HE   ARG  36           HE       ARG  36   2.269   7.567   1.759
   29   1HH1  ARG  36          1HH1      ARG  36   5.455   8.332   1.496
   30   2HH1  ARG  36          2HH1      ARG  36   5.840   8.218   3.181
   31   1HH2  ARG  36          1HH2      ARG  36   2.527   8.013   4.191
   32   2HH2  ARG  36          2HH2      ARG  36   4.180   8.037   4.707
   33    H    ILE  37           H        ILE  37  -0.257  12.056  -1.353
   34    HA   ILE  37           HA       ILE  37  -1.931  10.068  -0.297
   35    HB   ILE  37           HB       ILE  37  -2.320  11.911  -2.684
   36   1HG1  ILE  37          2HG1      ILE  37  -3.070  12.274   0.233
   37   2HG1  ILE  37          1HG1      ILE  37  -1.651  12.996  -0.526
   38   1HG2  ILE  37          1HG2      ILE  37  -4.329  10.915  -2.906
   39   2HG2  ILE  37          2HG2      ILE  37  -4.741  11.527  -1.305
   40   3HG2  ILE  37          3HG2      ILE  37  -4.046   9.917  -1.480
   41   1HD1  ILE  37          1HD1      ILE  37  -4.391  13.905  -0.581
   42   2HD1  ILE  37          2HD1      ILE  37  -3.835  13.584  -2.223
   43   3HD1  ILE  37          3HD1      ILE  37  -2.949  14.711  -1.197
   44    H    TRP  38           H        TRP  38  -0.131  10.110  -3.278
   45    HA   TRP  38           HA       TRP  38  -1.600   8.055  -4.686
   46   1HB   TRP  38          2HB       TRP  38   0.025   9.723  -5.645
   47   2HB   TRP  38          1HB       TRP  38   1.329   8.845  -4.848
   48    HD1  TRP  38           HD       TRP  38   2.393   6.979  -6.200
   49    HE1  TRP  38           1HE      TRP  38   1.739   5.598  -8.276
   50    HE3  TRP  38           3HE      TRP  38  -2.342   8.730  -6.970
   51    HZ2  TRP  38           2HZ      TRP  38  -0.495   5.280 -10.033
   52    HZ3  TRP  38           3HZ      TRP  38  -3.709   7.872  -8.851
   53    HH2  TRP  38           HH       TRP  38  -2.792   6.151 -10.382
   54    H    LEU  39           H        LEU  39   1.108   8.051  -2.382
   55    HA   LEU  39           HA       LEU  39   1.789   5.269  -2.618
   56   1HB   LEU  39          2HB       LEU  39   3.127   7.119  -1.563
   57   2HB   LEU  39          1HB       LEU  39   1.973   7.137  -0.230
   58    HG   LEU  39           HG       LEU  39   2.473   4.661   0.078
   59   1HD1  LEU  39          1HD1      LEU  39   3.848   3.612  -1.365
   60   2HD1  LEU  39          2HD1      LEU  39   5.105   4.821  -1.112
   61   3HD1  LEU  39          3HD1      LEU  39   3.867   5.081  -2.340
   62   1HD2  LEU  39          1HD2      LEU  39   3.473   5.985   1.711
   63   2HD2  LEU  39          2HD2      LEU  39   4.430   6.889   0.537
   64   3HD2  LEU  39          3HD2      LEU  39   4.891   5.243   0.972
   65    H    HIS  40           H        HIS  40  -0.695   7.018  -0.847
   66    HA   HIS  40           HA       HIS  40  -1.451   4.915   0.969
   67   1HB   HIS  40          2HB       HIS  40  -2.011   7.324   1.197
   68   2HB   HIS  40          1HB       HIS  40  -3.033   7.214  -0.234
   69    HD1  HIS  40           1HD      HIS  40  -2.723   5.451   3.145
   70    HD2  HIS  40           2HD      HIS  40  -5.646   6.588   0.399
   71    HE1  HIS  40           1HE      HIS  40  -4.953   4.825   4.171
   72    H    ASN  41           H        ASN  41  -2.345   5.720  -2.351
   73    HA   ASN  41           HA       ASN  41  -4.609   3.972  -2.604
   74   1HB   ASN  41          1HB       ASN  41  -2.559   5.015  -4.586
   75   2HB   ASN  41          2HB       ASN  41  -4.080   4.248  -5.044
   76   1HD2  ASN  41          1HD2      ASN  41  -3.496   6.976  -5.744
   77   2HD2  ASN  41          2HD2      ASN  41  -4.565   7.983  -4.893
   78    H    LEU  42           H        LEU  42  -1.120   3.479  -2.921
   79    HA   LEU  42           HA       LEU  42  -1.054   0.961  -4.202
   80   1HB   LEU  42          2HB       LEU  42   0.660   2.084  -1.960
   81   2HB   LEU  42          1HB       LEU  42   1.130   0.765  -3.034
   82    HG   LEU  42           HG       LEU  42   0.556   3.640  -3.811
   83   1HD1  LEU  42          1HD1      LEU  42   2.802   3.115  -2.839
   84   2HD1  LEU  42          2HD1      LEU  42   2.888   3.635  -4.522
   85   3HD1  LEU  42          3HD1      LEU  42   3.039   1.925  -4.119
   86   1HD2  LEU  42          1HD2      LEU  42   0.841   1.124  -5.442
   87   2HD2  LEU  42          2HD2      LEU  42   1.339   2.677  -6.110
   88   3HD2  LEU  42          3HD2      LEU  42  -0.335   2.427  -5.616
   89    H    GLY  43           H        GLY  43  -1.623   1.782  -0.791
   90   1HA   GLY  43          1HA       GLY  43  -1.485  -0.798   0.338
   91   2HA   GLY  43          2HA       GLY  43  -2.528   0.486   0.947
   92    H    GLN  44           H        GLN  44  -4.127   0.774  -1.415
   93    HA   GLN  44           HA       GLN  44  -6.169  -1.154  -0.962
   94   1HB   GLN  44          2HB       GLN  44  -5.519   0.599  -3.354
   95   2HB   GLN  44          1HB       GLN  44  -7.069  -0.201  -3.098
   96   1HG   GLN  44          2HG       GLN  44  -7.387   1.026  -1.003
   97   2HG   GLN  44          1HG       GLN  44  -5.802   1.777  -1.178
   98   1HE2  GLN  44          1HE2      GLN  44  -8.166   3.376  -1.031
   99   2HE2  GLN  44          2HE2      GLN  44  -8.414   4.116  -2.539
  100    H    HIS  45           H        HIS  45  -3.379  -1.186  -3.116
  101    HA   HIS  45           HA       HIS  45  -4.181  -3.268  -4.894
  102   1HB   HIS  45          2HB       HIS  45  -2.221  -1.778  -5.162
  103   2HB   HIS  45          1HB       HIS  45  -1.450  -2.548  -3.775
  104    HD1  HIS  45           1HD      HIS  45  -2.999  -3.690  -7.082
  105    HD2  HIS  45           2HD      HIS  45   0.186  -4.622  -4.559
  106    HE1  HIS  45           1HE      HIS  45  -1.720  -5.565  -8.205
  107    H    ILE  46           H        ILE  46  -2.652  -3.365  -1.682
  108    HA   ILE  46           HA       ILE  46  -2.146  -6.180  -1.580
  109    HB   ILE  46           HB       ILE  46  -2.841  -4.217   0.629
  110   1HG1  ILE  46          2HG1      ILE  46  -1.038  -3.283  -0.646
  111   2HG1  ILE  46          1HG1      ILE  46  -0.303  -4.039   0.767
  112   1HG2  ILE  46          1HG2      ILE  46  -2.762  -6.208   1.773
  113   2HG2  ILE  46          2HG2      ILE  46  -1.029  -5.890   1.704
  114   3HG2  ILE  46          3HG2      ILE  46  -1.770  -6.994   0.545
  115   1HD1  ILE  46          1HD1      ILE  46  -0.431  -5.125  -2.055
  116   2HD1  ILE  46          2HD1      ILE  46   0.021  -6.119  -0.670
  117   3HD1  ILE  46          3HD1      ILE  46   1.009  -4.727  -1.117
  118    H    TYR  47           H        TYR  47  -4.962  -4.227  -0.653
  119    HA   TYR  47           HA       TYR  47  -6.522  -6.386   0.447
  120   1HB   TYR  47          2HB       TYR  47  -7.204  -3.690  -0.773
  121   2HB   TYR  47          1HB       TYR  47  -8.372  -4.699   0.083
  122    HD1  TYR  47           1HD      TYR  47  -7.902  -5.340   2.498
  123    HD2  TYR  47           2HD      TYR  47  -5.660  -2.331   0.409
  124    HE1  TYR  47           1HE      TYR  47  -7.089  -4.444   4.662
  125    HE2  TYR  47           2HE      TYR  47  -4.846  -1.434   2.573
  126    HH   TYR  47           HH       TYR  47  -4.528  -2.180   4.867
  127    H    GLU  48           H        GLU  48  -6.014  -5.153  -2.809
  128    HA   GLU  48           HA       GLU  48  -8.243  -6.323  -4.138
  129   1HB   GLU  48          2HB       GLU  48  -6.640  -4.648  -5.051
  130   2HB   GLU  48          1HB       GLU  48  -5.394  -5.896  -5.098
  131   1HG   GLU  48          2HG       GLU  48  -6.341  -5.775  -7.306
  132   2HG   GLU  48          1HG       GLU  48  -6.958  -7.252  -6.565
  133    H    THR  49           H        THR  49  -5.285  -7.737  -2.902
  134    HA   THR  49           HA       THR  49  -5.148 -10.116  -4.453
  135    HB   THR  49           HB       THR  49  -4.522  -9.677  -1.514
  136    HG1  THR  49           1HG      THR  49  -2.588  -9.505  -3.493
  137   1HG2  THR  49          1HG2      THR  49  -2.782 -11.384  -3.153
  138   2HG2  THR  49          2HG2      THR  49  -4.420 -12.011  -2.972
  139   3HG2  THR  49          3HG2      THR  49  -3.444 -11.669  -1.544
  140    H    TYR  50           H        TYR  50  -7.138  -9.269  -1.648
  141    HA   TYR  50           HA       TYR  50  -8.147 -11.913  -1.109
  142   1HB   TYR  50          2HB       TYR  50  -9.215  -9.116  -0.609
  143   2HB   TYR  50          1HB       TYR  50  -9.897 -10.572   0.112
  144    HD1  TYR  50           1HD      TYR  50  -7.131  -8.189   0.162
  145    HD2  TYR  50           2HD      TYR  50  -8.542 -11.948   1.688
  146    HE1  TYR  50           1HE      TYR  50  -5.410  -8.111   1.945
  147    HE2  TYR  50           2HE      TYR  50  -6.820 -11.871   3.471
  148    HH   TYR  50           HH       TYR  50  -5.496  -9.888   4.662
  149    H    GLY  51           H        GLY  51  -9.075  -9.368  -3.369
  150   1HA   GLY  51          2HA       GLY  51 -11.685 -10.040  -4.046
  151   2HA   GLY  51          1HA       GLY  51 -10.503  -9.497  -5.238
  152   1HN   NH2  52          1H        GLY  51  -9.357 -11.149  -6.479
  153   2HN   NH2  52          2H        GLY  51  -9.895 -12.758  -6.517
  Start of MODEL   10
    1   1H    ACE  33          1H        ACE  33  -2.429  18.510   0.063
    2   2H    ACE  33          2H        ACE  33  -3.050  16.881   0.331
    3   3H    ACE  33          3H        ACE  33  -2.862  17.494  -1.312
    4    H    PHE  34           H        PHE  34  -1.199  16.129   1.440
    5    HA   PHE  34           HA       PHE  34   1.505  16.489   0.556
    6   1HB   PHE  34          2HB       PHE  34  -0.034  15.016   2.555
    7   2HB   PHE  34          1HB       PHE  34   1.354  14.091   1.983
    8    HD1  PHE  34           1HD      PHE  34   3.478  14.531   2.866
    9    HD2  PHE  34           2HD      PHE  34   0.416  17.531   3.142
   10    HE1  PHE  34           1HE      PHE  34   4.984  15.941   4.243
   11    HE2  PHE  34           2HE      PHE  34   1.921  18.941   4.518
   12    HZ   PHE  34           HZ       PHE  34   4.205  18.146   5.069
   13    HA   PRO  35           HA       PRO  35   1.609  13.749  -2.876
   14   1HB   PRO  35          2HB       PRO  35   4.244  13.019  -2.825
   15   2HB   PRO  35          1HB       PRO  35   3.689  14.595  -3.419
   16   1HG   PRO  35          2HG       PRO  35   4.865  13.862  -0.781
   17   2HG   PRO  35          1HG       PRO  35   5.132  15.304  -1.771
   18   1HD   PRO  35          2HD       PRO  35   3.505  15.258   0.415
   19   2HD   PRO  35          1HD       PRO  35   3.269  16.359  -0.957
   20    H    ARG  36           H        ARG  36   2.455  12.840   0.361
   21    HA   ARG  36           HA       ARG  36   3.068  10.072  -0.021
   22   1HB   ARG  36          2HB       ARG  36   3.460  11.322   2.056
   23   2HB   ARG  36          1HB       ARG  36   1.724  11.546   2.267
   24   1HG   ARG  36          2HG       ARG  36   2.836   9.613   3.577
   25   2HG   ARG  36          1HG       ARG  36   1.362   9.242   2.685
   26   1HD   ARG  36          2HD       ARG  36   2.741   8.391   0.789
   27   2HD   ARG  36          1HD       ARG  36   4.206   8.714   1.737
   28    HE   ARG  36           HE       ARG  36   2.056   6.805   2.594
   29   1HH1  ARG  36          1HH2      ARG  36   4.514   8.231   4.145
   30   2HH1  ARG  36          2HH2      ARG  36   5.492   6.822   4.382
   31   1HH2  ARG  36          1HH1      ARG  36   3.651   4.854   2.198
   32   2HH2  ARG  36          2HH1      ARG  36   5.004   4.908   3.279
   33    H    ILE  37           H        ILE  37  -0.001  11.816   0.095
   34    HA   ILE  37           HA       ILE  37  -1.834   9.742   0.578
   35    HB   ILE  37           HB       ILE  37  -1.926  12.039  -1.411
   36   1HG1  ILE  37          2HG1      ILE  37  -2.925  11.827   1.447
   37   2HG1  ILE  37          1HG1      ILE  37  -1.459  12.673   0.951
   38   1HG2  ILE  37          1HG2      ILE  37  -4.358  10.901  -0.092
   39   2HG2  ILE  37          2HG2      ILE  37  -3.675  10.030  -1.466
   40   3HG2  ILE  37          3HG2      ILE  37  -4.202  11.703  -1.656
   41   1HD1  ILE  37          1HD1      ILE  37  -2.914  14.455   0.879
   42   2HD1  ILE  37          2HD1      ILE  37  -4.315  13.433   0.561
   43   3HD1  ILE  37          3HD1      ILE  37  -3.197  13.829  -0.744
   44    H    TRP  38           H        TRP  38   0.282  10.256  -2.128
   45    HA   TRP  38           HA       TRP  38  -1.105   8.612  -4.066
   46   1HB   TRP  38          2HB       TRP  38   0.646  10.380  -4.483
   47   2HB   TRP  38          1HB       TRP  38   1.844   9.279  -3.803
   48    HD1  TRP  38           HD       TRP  38   2.913   7.622  -5.415
   49    HE1  TRP  38           1HE      TRP  38   2.417   6.809  -7.810
   50    HE3  TRP  38           3HE      TRP  38  -1.558   9.953  -6.229
   51    HZ2  TRP  38           2HZ      TRP  38   0.393   7.110  -9.808
   52    HZ3  TRP  38           3HZ      TRP  38  -2.746   9.673  -8.385
   53    HH2  TRP  38           HH       TRP  38  -1.778   8.255 -10.175
   54    H    LEU  39           H        LEU  39   1.374   8.000  -1.588
   55    HA   LEU  39           HA       LEU  39   1.945   5.279  -2.378
   56   1HB   LEU  39          2HB       LEU  39   2.177   6.655   0.319
   57   2HB   LEU  39          1HB       LEU  39   3.078   5.232  -0.208
   58    HG   LEU  39           HG       LEU  39   3.242   8.017  -1.401
   59   1HD1  LEU  39          1HD1      LEU  39   4.607   6.744   0.751
   60   2HD1  LEU  39          2HD1      LEU  39   4.954   8.316   0.030
   61   3HD1  LEU  39          3HD1      LEU  39   5.744   6.866  -0.592
   62   1HD2  LEU  39          1HD2      LEU  39   3.423   6.345  -3.167
   63   2HD2  LEU  39          2HD2      LEU  39   4.576   5.415  -2.210
   64   3HD2  LEU  39          3HD2      LEU  39   5.025   7.004  -2.833
   65    H    HIS  40           H        HIS  40  -0.500   6.793  -0.355
   66    HA   HIS  40           HA       HIS  40  -1.393   4.435   1.033
   67   1HB   HIS  40          2HB       HIS  40  -1.854   6.796   1.671
   68   2HB   HIS  40          1HB       HIS  40  -2.859   6.972   0.234
   69    HD1  HIS  40           1HD      HIS  40  -2.671   4.749   3.333
   70    HD2  HIS  40           2HD      HIS  40  -5.497   6.255   0.663
   71    HE1  HIS  40           1HE      HIS  40  -4.937   4.032   4.208
   72    H    ASN  41           H        ASN  41  -2.213   5.885  -2.086
   73    HA   ASN  41           HA       ASN  41  -4.537   4.347  -2.699
   74   1HB   ASN  41          1HB       ASN  41  -2.335   5.524  -4.427
   75   2HB   ASN  41          2HB       ASN  41  -3.887   4.960  -5.046
   76   1HD2  ASN  41          1HD2      ASN  41  -3.070   7.716  -5.273
   77   2HD2  ASN  41          2HD2      ASN  41  -4.102   8.653  -4.303
   78    H    LEU  42           H        LEU  42  -1.080   3.639  -3.012
   79    HA   LEU  42           HA       LEU  42  -1.266   1.288  -4.628
   80   1HB   LEU  42          2HB       LEU  42   0.686   2.045  -2.426
   81   2HB   LEU  42          1HB       LEU  42   0.989   0.871  -3.707
   82    HG   LEU  42           HG       LEU  42   0.479   3.840  -4.060
   83   1HD1  LEU  42          1HD1      LEU  42   2.887   2.054  -4.172
   84   2HD1  LEU  42          2HD1      LEU  42   2.729   3.674  -3.490
   85   3HD1  LEU  42          3HD1      LEU  42   2.817   3.457  -5.238
   86   1HD2  LEU  42          1HD2      LEU  42   1.019   3.256  -6.493
   87   2HD2  LEU  42          2HD2      LEU  42  -0.566   2.750  -5.910
   88   3HD2  LEU  42          3HD2      LEU  42   0.741   1.574  -6.045
   89    H    GLY  43           H        GLY  43  -1.654   1.820  -1.149
   90   1HA   GLY  43          1HA       GLY  43  -1.535  -0.871  -0.262
   91   2HA   GLY  43          2HA       GLY  43  -2.470   0.399   0.530
   92    H    GLN  44           H        GLN  44  -4.018   0.849  -2.019
   93    HA   GLN  44           HA       GLN  44  -6.262  -0.827  -1.462
   94   1HB   GLN  44          2HB       GLN  44  -6.180   1.417  -2.628
   95   2HB   GLN  44          1HB       GLN  44  -5.546   0.588  -4.049
   96   1HG   GLN  44          2HG       GLN  44  -7.560  -0.813  -4.156
   97   2HG   GLN  44          1HG       GLN  44  -8.188  -0.043  -2.698
   98   1HE2  GLN  44          1HE2      GLN  44  -9.806   0.182  -4.911
   99   2HE2  GLN  44          2HE2      GLN  44  -9.729   1.746  -5.565
  100    H    HIS  45           H        HIS  45  -3.621  -1.124  -3.831
  101    HA   HIS  45           HA       HIS  45  -4.634  -3.272  -5.382
  102   1HB   HIS  45          2HB       HIS  45  -1.835  -2.509  -4.497
  103   2HB   HIS  45          1HB       HIS  45  -2.165  -3.703  -5.751
  104    HD1  HIS  45           1HD      HIS  45  -4.274  -2.486  -7.440
  105    HD2  HIS  45           2HD      HIS  45  -1.217  -0.167  -5.813
  106    HE1  HIS  45           1HE      HIS  45  -4.131  -0.393  -8.859
  107    H    ILE  46           H        ILE  46  -2.975  -3.249  -2.248
  108    HA   ILE  46           HA       ILE  46  -2.578  -6.078  -1.988
  109    HB   ILE  46           HB       ILE  46  -3.013  -3.857   0.037
  110   1HG1  ILE  46          2HG1      ILE  46  -0.450  -5.117  -0.983
  111   2HG1  ILE  46          1HG1      ILE  46  -1.102  -3.588  -1.572
  112   1HG2  ILE  46          1HG2      ILE  46  -3.070  -6.565   0.539
  113   2HG2  ILE  46          2HG2      ILE  46  -2.604  -5.333   1.711
  114   3HG2  ILE  46          3HG2      ILE  46  -1.367  -6.178   0.781
  115   1HD1  ILE  46          1HD1      ILE  46   0.274  -2.765   0.084
  116   2HD1  ILE  46          2HD1      ILE  46   0.151  -4.229   1.058
  117   3HD1  ILE  46          3HD1      ILE  46  -1.168  -3.060   1.055
  118    H    TYR  47           H        TYR  47  -5.309  -3.957  -1.292
  119    HA   TYR  47           HA       TYR  47  -6.920  -5.719   0.247
  120   1HB   TYR  47          2HB       TYR  47  -7.271  -3.284  -0.136
  121   2HB   TYR  47          1HB       TYR  47  -7.717  -3.631  -1.807
  122    HD1  TYR  47           1HD      TYR  47  -9.844  -4.654  -2.362
  123    HD2  TYR  47           2HD      TYR  47  -8.715  -4.004   1.731
  124    HE1  TYR  47           1HE      TYR  47 -12.173  -5.118  -1.646
  125    HE2  TYR  47           2HE      TYR  47 -11.043  -4.468   2.447
  126    HH   TYR  47           HH       TYR  47 -13.127  -6.020   1.024
  127    H    GLU  48           H        GLU  48  -6.386  -5.505  -3.235
  128    HA   GLU  48           HA       GLU  48  -8.575  -7.242  -4.005
  129   1HB   GLU  48          2HB       GLU  48  -5.970  -6.427  -5.336
  130   2HB   GLU  48          1HB       GLU  48  -7.285  -7.266  -6.160
  131   1HG   GLU  48          2HG       GLU  48  -8.812  -5.400  -5.615
  132   2HG   GLU  48          1HG       GLU  48  -7.494  -4.562  -4.798
  133    H    THR  49           H        THR  49  -5.383  -7.778  -2.738
  134    HA   THR  49           HA       THR  49  -4.792 -10.360  -3.768
  135    HB   THR  49           HB       THR  49  -4.246  -9.197  -1.018
  136    HG1  THR  49           1HG      THR  49  -3.407  -7.744  -2.344
  137   1HG2  THR  49          1HG2      THR  49  -3.473 -11.651  -2.349
  138   2HG2  THR  49          2HG2      THR  49  -3.163 -11.141  -0.690
  139   3HG2  THR  49          3HG2      THR  49  -2.056 -10.668  -1.980
  140    H    TYR  50           H        TYR  50  -7.106  -9.318  -1.354
  141    HA   TYR  50           HA       TYR  50  -7.470 -11.809   0.017
  142   1HB   TYR  50          2HB       TYR  50  -9.194 -10.651   1.060
  143   2HB   TYR  50          1HB       TYR  50  -8.279  -9.299   0.399
  144    HD1  TYR  50           1HD      TYR  50 -11.490 -10.414   0.827
  145    HD2  TYR  50           2HD      TYR  50  -8.921  -8.980  -2.303
  146    HE1  TYR  50           1HE      TYR  50 -13.476  -9.718  -0.484
  147    HE2  TYR  50           2HE      TYR  50 -10.908  -8.283  -3.613
  148    HH   TYR  50           HH       TYR  50 -14.209  -8.892  -2.409
  149    H    GLY  51           H        GLY  51  -8.555 -10.644  -3.097
  150   1HA   GLY  51          2HA       GLY  51 -10.798 -12.328  -3.524
  151   2HA   GLY  51          1HA       GLY  51  -9.748 -11.723  -4.806
  152   1HN   NH2  52          1H        GLY  51  -7.372 -12.975  -4.494
  153   2HN   NH2  52          2H        GLY  51  -7.537 -14.665  -4.482
  Start of MODEL   11
    1   1H    ACE  33          1H        ACE  33  -3.879  18.146  -2.346
    2   2H    ACE  33          2H        ACE  33  -4.028  17.694  -0.648
    3   3H    ACE  33          3H        ACE  33  -4.385  16.514  -1.908
    4    H    PHE  34           H        PHE  34  -2.429  16.222   0.239
    5    HA   PHE  34           HA       PHE  34   0.251  16.691  -0.683
    6   1HB   PHE  34          2HB       PHE  34  -1.060  14.784   1.267
    7   2HB   PHE  34          1HB       PHE  34   0.689  14.837   1.047
    8    HD1  PHE  34           1HD      PHE  34  -1.910  16.070   3.005
    9    HD2  PHE  34           2HD      PHE  34   1.633  17.393   0.968
   10    HE1  PHE  34           1HE      PHE  34  -1.780  18.037   4.509
   11    HE2  PHE  34           2HE      PHE  34   1.762  19.360   2.472
   12    HZ   PHE  34           HZ       PHE  34   0.056  19.682   4.243
   13    HA   PRO  35           HA       PRO  35   0.421  13.677  -3.904
   14   1HB   PRO  35          2HB       PRO  35   3.129  13.286  -3.964
   15   2HB   PRO  35          1HB       PRO  35   2.341  14.706  -4.678
   16   1HG   PRO  35          2HG       PRO  35   3.753  14.424  -2.071
   17   2HG   PRO  35          1HG       PRO  35   3.773  15.767  -3.223
   18   1HD   PRO  35          2HD       PRO  35   2.294  15.768  -0.931
   19   2HD   PRO  35          1HD       PRO  35   1.840  16.672  -2.390
   20    H    ARG  36           H        ARG  36   1.496  13.260  -0.649
   21    HA   ARG  36           HA       ARG  36   2.481  10.579  -0.732
   22   1HB   ARG  36          2HB       ARG  36   2.764  12.033   1.190
   23   2HB   ARG  36          1HB       ARG  36   1.018  12.189   1.381
   24   1HG   ARG  36          1HG       ARG  36   2.199  10.516   2.938
   25   2HG   ARG  36          2HG       ARG  36   0.784   9.922   2.069
   26   1HD   ARG  36          2HD       ARG  36   2.621   8.277   1.917
   27   2HD   ARG  36          1HD       ARG  36   2.315   8.976   0.315
   28    HE   ARG  36           HE       ARG  36   4.466   9.946   0.444
   29   1HH1  ARG  36          1HH2      ARG  36   5.372   8.053   2.529
   30   2HH1  ARG  36          2HH2      ARG  36   5.839   9.103   3.825
   31   1HH2  ARG  36          1HH1      ARG  36   4.137  11.849   2.568
   32   2HH2  ARG  36          2HH1      ARG  36   5.141  11.252   3.847
   33    H    ILE  37           H        ILE  37  -0.809  11.894  -0.624
   34    HA   ILE  37           HA       ILE  37  -2.328   9.662   0.106
   35    HB   ILE  37           HB       ILE  37  -2.769  11.676  -2.128
   36   1HG1  ILE  37          2HG1      ILE  37  -3.722  11.678   0.752
   37   2HG1  ILE  37          1HG1      ILE  37  -2.355  12.619   0.154
   38   1HG2  ILE  37          1HG2      ILE  37  -4.567   9.664  -0.789
   39   2HG2  ILE  37          2HG2      ILE  37  -4.384  10.007  -2.509
   40   3HG2  ILE  37          3HG2      ILE  37  -5.233  11.150  -1.466
   41   1HD1  ILE  37          1HD1      ILE  37  -4.914  13.555   0.236
   42   2HD1  ILE  37          2HD1      ILE  37  -4.859  12.901  -1.402
   43   3HD1  ILE  37          3HD1      ILE  37  -3.697  14.132  -0.905
   44    H    TRP  38           H        TRP  38  -0.404  10.200  -2.748
   45    HA   TRP  38           HA       TRP  38  -1.536   8.178  -4.453
   46   1HB   TRP  38          2HB       TRP  38   1.222   9.426  -4.207
   47   2HB   TRP  38          1HB       TRP  38   0.729   8.404  -5.557
   48    HD1  TRP  38           HD       TRP  38  -2.272  10.151  -4.659
   49    HE1  TRP  38           1HE      TRP  38  -2.647  12.253  -6.104
   50    HE3  TRP  38           3HE      TRP  38   2.387  10.672  -6.690
   51    HZ2  TRP  38           2HZ      TRP  38  -1.169  13.933  -7.883
   52    HZ3  TRP  38           3HZ      TRP  38   2.874  12.532  -8.255
   53    HH2  TRP  38           HH       TRP  38   1.103  14.161  -8.854
   54    H    LEU  39           H        LEU  39   0.902   8.139  -1.885
   55    HA   LEU  39           HA       LEU  39   1.857   5.454  -2.323
   56   1HB   LEU  39          2HB       LEU  39   2.981   7.237  -0.989
   57   2HB   LEU  39          1HB       LEU  39   1.682   7.135   0.202
   58    HG   LEU  39           HG       LEU  39   2.249   4.647   0.393
   59   1HD1  LEU  39          1HD1      LEU  39   4.817   4.392  -0.221
   60   2HD1  LEU  39          2HD1      LEU  39   4.429   5.640  -1.406
   61   3HD1  LEU  39          3HD1      LEU  39   3.571   4.099  -1.434
   62   1HD2  LEU  39          1HD2      LEU  39   4.347   6.689   1.192
   63   2HD2  LEU  39          2HD2      LEU  39   4.158   5.087   1.905
   64   3HD2  LEU  39          3HD2      LEU  39   2.891   6.297   2.106
   65    H    HIS  40           H        HIS  40  -0.886   6.845  -0.618
   66    HA   HIS  40           HA       HIS  40  -1.639   4.483   0.869
   67   1HB   HIS  40          2HB       HIS  40  -3.037   7.004  -0.061
   68   2HB   HIS  40          1HB       HIS  40  -3.839   5.802   0.949
   69    HD1  HIS  40           1HD      HIS  40  -1.124   8.390   1.008
   70    HD2  HIS  40           2HD      HIS  40  -2.877   5.667   3.631
   71    HE1  HIS  40           1HE      HIS  40  -0.297   8.994   3.324
   72    H    ASN  41           H        ASN  41  -2.240   5.668  -2.382
   73    HA   ASN  41           HA       ASN  41  -4.470   4.024  -3.088
   74   1HB   ASN  41          2HB       ASN  41  -3.561   5.995  -4.327
   75   2HB   ASN  41          1HB       ASN  41  -2.157   5.029  -4.778
   76   1HD2  ASN  41          1HD2      ASN  41  -5.738   5.105  -5.087
   77   2HD2  ASN  41          2HD2      ASN  41  -5.783   4.229  -6.539
   78    H    LEU  42           H        LEU  42  -0.993   3.398  -2.975
   79    HA   LEU  42           HA       LEU  42  -1.021   0.918  -4.448
   80   1HB   LEU  42          2HB       LEU  42   0.798   2.255  -2.440
   81   2HB   LEU  42          1HB       LEU  42   1.188   0.674  -3.118
   82    HG   LEU  42           HG       LEU  42   0.741   1.818  -5.419
   83   1HD1  LEU  42          1HD2      LEU  42   0.900   4.124  -3.500
   84   2HD1  LEU  42          2HD2      LEU  42  -0.153   3.910  -4.900
   85   3HD1  LEU  42          3HD2      LEU  42   1.550   4.309  -5.129
   86   1HD2  LEU  42          1HD1      LEU  42   3.005   1.884  -5.631
   87   2HD2  LEU  42          2HD1      LEU  42   3.009   1.289  -3.971
   88   3HD2  LEU  42          3HD1      LEU  42   3.190   3.014  -4.289
   89    H    GLY  43           H        GLY  43  -1.495   1.753  -1.037
   90   1HA   GLY  43          1HA       GLY  43  -1.310  -0.861   0.064
   91   2HA   GLY  43          2HA       GLY  43  -2.261   0.451   0.760
   92    H    GLN  44           H        GLN  44  -3.924   0.779  -1.631
   93    HA   GLN  44           HA       GLN  44  -6.068  -0.996  -1.016
   94   1HB   GLN  44          1HB       GLN  44  -5.391   0.608  -3.506
   95   2HB   GLN  44          2HB       GLN  44  -6.977  -0.089  -3.171
   96   1HG   GLN  44          1HG       GLN  44  -7.161   1.246  -1.126
   97   2HG   GLN  44          2HG       GLN  44  -5.542   1.897  -1.382
   98   1HE2  GLN  44          1HE2      GLN  44  -7.730   3.680  -1.234
   99   2HE2  GLN  44          2HE2      GLN  44  -8.017   4.345  -2.769
  100    H    HIS  45           H        HIS  45  -3.384  -1.266  -3.298
  101    HA   HIS  45           HA       HIS  45  -4.359  -3.386  -4.927
  102   1HB   HIS  45          2HB       HIS  45  -2.317  -2.004  -5.298
  103   2HB   HIS  45          1HB       HIS  45  -1.543  -2.819  -3.939
  104    HD1  HIS  45           1HD      HIS  45  -3.363  -3.911  -7.123
  105    HD2  HIS  45           2HD      HIS  45  -0.063  -4.973  -4.807
  106    HE1  HIS  45           1HE      HIS  45  -2.271  -5.875  -8.290
  107    H    ILE  46           H        ILE  46  -2.678  -3.421  -1.788
  108    HA   ILE  46           HA       ILE  46  -2.319  -6.232  -1.523
  109    HB   ILE  46           HB       ILE  46  -2.907  -4.074   0.533
  110   1HG1  ILE  46          2HG1      ILE  46  -0.260  -5.192  -0.440
  111   2HG1  ILE  46          1HG1      ILE  46  -0.951  -3.661  -0.980
  112   1HG2  ILE  46          1HG2      ILE  46  -3.137  -6.039   1.760
  113   2HG2  ILE  46          2HG2      ILE  46  -1.402  -5.758   1.900
  114   3HG2  ILE  46          3HG2      ILE  46  -2.013  -6.932   0.735
  115   1HD1  ILE  46          1HD1      ILE  46  -0.424  -4.315   1.931
  116   2HD1  ILE  46          2HD1      ILE  46  -0.851  -2.746   1.247
  117   3HD1  ILE  46          3HD1      ILE  46   0.728  -3.456   0.908
  118    H    TYR  47           H        TYR  47  -5.077  -4.139  -0.786
  119    HA   TYR  47           HA       TYR  47  -6.721  -6.175   0.441
  120   1HB   TYR  47          2HB       TYR  47  -7.251  -3.503  -0.897
  121   2HB   TYR  47          1HB       TYR  47  -8.500  -4.424  -0.056
  122    HD1  TYR  47           1HD      TYR  47  -8.224  -4.944   2.393
  123    HD2  TYR  47           2HD      TYR  47  -5.607  -2.259   0.301
  124    HE1  TYR  47           1HE      TYR  47  -7.442  -4.020   4.558
  125    HE2  TYR  47           2HE      TYR  47  -4.823  -1.333   2.465
  126    HH   TYR  47           HH       TYR  47  -4.687  -2.125   4.857
  127    H    GLU  48           H        GLU  48  -6.134  -5.135  -2.865
  128    HA   GLU  48           HA       GLU  48  -8.422  -6.418  -4.079
  129   1HB   GLU  48          2HB       GLU  48  -5.692  -5.577  -5.104
  130   2HB   GLU  48          1HB       GLU  48  -7.033  -6.057  -6.144
  131   1HG   GLU  48          2HG       GLU  48  -7.167  -3.797  -4.128
  132   2HG   GLU  48          1HG       GLU  48  -6.847  -3.571  -5.847
  133    H    THR  49           H        THR  49  -5.489  -7.627  -2.753
  134    HA   THR  49           HA       THR  49  -5.089  -9.929  -4.442
  135    HB   THR  49           HB       THR  49  -4.421  -9.472  -1.515
  136    HG1  THR  49           1HG      THR  49  -2.588  -9.066  -3.563
  137   1HG2  THR  49          1HG2      THR  49  -3.532 -11.426  -3.612
  138   2HG2  THR  49          2HG2      THR  49  -3.913 -11.711  -1.913
  139   3HG2  THR  49          3HG2      THR  49  -2.398 -10.927  -2.358
  140    H    TYR  50           H        TYR  50  -6.900  -9.421  -1.406
  141    HA   TYR  50           HA       TYR  50  -7.850 -12.223  -1.434
  142   1HB   TYR  50          1HB       TYR  50  -8.565 -11.730   0.770
  143   2HB   TYR  50          2HB       TYR  50  -7.109 -10.754   0.581
  144    HD1  TYR  50           1HD      TYR  50 -10.816 -10.679   0.565
  145    HD2  TYR  50           2HD      TYR  50  -7.207  -8.349   0.535
  146    HE1  TYR  50           1HE      TYR  50 -12.137  -8.628   1.016
  147    HE2  TYR  50           2HE      TYR  50  -8.528  -6.298   0.986
  148    HH   TYR  50           HH       TYR  50 -11.256  -5.716   0.451
  149    H    GLY  51           H        GLY  51  -8.816  -9.202  -2.699
  150   1HA   GLY  51          1HA       GLY  51 -11.702  -9.713  -2.565
  151   2HA   GLY  51          2HA       GLY  51 -10.924  -8.371  -3.405
  152   1HN   NH2  52          1H        GLY  51 -12.045 -11.694  -3.750
  153   2HN   NH2  52          2H        GLY  51 -11.771 -11.809  -5.423
  Start of MODEL   12
    1   1H    ACE  33          1H        ACE  33   8.402  13.833  -5.113
    2   2H    ACE  33          2H        ACE  33   8.561  13.874  -3.356
    3   3H    ACE  33          3H        ACE  33   8.547  15.378  -4.275
    4    H    PHE  34           H        PHE  34   6.374  12.839  -5.218
    5    HA   PHE  34           HA       PHE  34   4.042  14.482  -4.967
    6   1HB   PHE  34          2HB       PHE  34   2.919  12.221  -5.344
    7   2HB   PHE  34          1HB       PHE  34   4.139  12.664  -6.536
    8    HD1  PHE  34           1HD      PHE  34   5.932  11.215  -6.967
    9    HD2  PHE  34           2HD      PHE  34   3.732  10.826  -3.298
   10    HE1  PHE  34           1HE      PHE  34   7.211   9.161  -6.417
   11    HE2  PHE  34           2HE      PHE  34   5.010   8.773  -2.749
   12    HZ   PHE  34           HZ       PHE  34   6.749   7.941  -4.309
   13    HA   PRO  35           HA       PRO  35   3.056  14.302  -0.698
   14   1HB   PRO  35          2HB       PRO  35   0.345  13.932  -0.797
   15   2HB   PRO  35          1HB       PRO  35   1.127  15.498  -1.091
   16   1HG   PRO  35          2HG       PRO  35   0.114  13.486  -3.049
   17   2HG   PRO  35          1HG       PRO  35  -0.031  15.249  -3.073
   18   1HD   PRO  35          2HD       PRO  35   1.792  13.920  -4.567
   19   2HD   PRO  35          1HD       PRO  35   2.095  15.541  -3.911
   20    H    ARG  36           H        ARG  36   2.372  12.726   0.911
   21    HA   ARG  36           HA       ARG  36   2.998  10.011   0.258
   22   1HB   ARG  36          2HB       ARG  36   3.329  10.925   2.467
   23   2HB   ARG  36          1HB       ARG  36   1.625  11.357   2.601
   24   1HG   ARG  36          2HG       ARG  36   2.287   9.233   3.823
   25   2HG   ARG  36          1HG       ARG  36   0.963   9.047   2.673
   26   1HD   ARG  36          2HD       ARG  36   2.546   8.197   0.974
   27   2HD   ARG  36          1HD       ARG  36   3.882   8.387   2.128
   28    HE   ARG  36           HE       ARG  36   1.784   6.325   2.245
   29   1HH1  ARG  36          1HH2      ARG  36   3.896   8.316   4.094
   30   2HH1  ARG  36          2HH2      ARG  36   4.213   7.103   5.289
   31   1HH2  ARG  36          1HH1      ARG  36   2.302   4.674   3.717
   32   2HH2  ARG  36          2HH1      ARG  36   3.310   5.043   5.077
   33    H    ILE  37           H        ILE  37   0.010  11.799   0.135
   34    HA   ILE  37           HA       ILE  37  -1.933   9.779   0.471
   35    HB   ILE  37           HB       ILE  37  -1.836  12.085  -1.507
   36   1HG1  ILE  37          2HG1      ILE  37  -1.401  12.923   0.703
   37   2HG1  ILE  37          1HG1      ILE  37  -3.101  13.252   0.362
   38   1HG2  ILE  37          1HG2      ILE  37  -4.358  12.004  -1.108
   39   2HG2  ILE  37          2HG2      ILE  37  -4.096  10.424  -0.369
   40   3HG2  ILE  37          3HG2      ILE  37  -3.692  10.682  -2.067
   41   1HD1  ILE  37          1HD1      ILE  37  -3.464  12.233   2.365
   42   2HD1  ILE  37          2HD1      ILE  37  -1.896  11.425   2.346
   43   3HD1  ILE  37          3HD1      ILE  37  -3.250  10.743   1.445
   44    H    TRP  38           H        TRP  38   0.418  10.203  -2.049
   45    HA   TRP  38           HA       TRP  38  -0.987   8.650  -4.082
   46   1HB   TRP  38          2HB       TRP  38   1.840   9.626  -3.636
   47   2HB   TRP  38          1HB       TRP  38   1.401   8.662  -5.048
   48    HD1  TRP  38           HD       TRP  38   1.368  12.134  -3.749
   49    HE1  TRP  38           1HE      TRP  38   0.092  13.685  -5.364
   50    HE3  TRP  38           3HE      TRP  38  -0.828   8.648  -6.765
   51    HZ2  TRP  38           2HZ      TRP  38  -1.633  13.474  -7.638
   52    HZ3  TRP  38           3HZ      TRP  38  -2.280   9.349  -8.647
   53    HH2  TRP  38           HH       TRP  38  -2.686  11.756  -9.086
   54    H    LEU  39           H        LEU  39   1.332   7.947  -1.496
   55    HA   LEU  39           HA       LEU  39   1.903   5.228  -2.339
   56   1HB   LEU  39          2HB       LEU  39   3.283   6.731  -0.843
   57   2HB   LEU  39          1HB       LEU  39   2.061   6.504   0.407
   58    HG   LEU  39           HG       LEU  39   2.421   4.002   0.146
   59   1HD1  LEU  39          1HD1      LEU  39   4.719   5.055  -1.520
   60   2HD1  LEU  39          2HD1      LEU  39   3.478   3.899  -2.005
   61   3HD1  LEU  39          3HD1      LEU  39   4.705   3.433  -0.827
   62   1HD2  LEU  39          1HD2      LEU  39   3.453   4.645   2.078
   63   2HD2  LEU  39          2HD2      LEU  39   4.281   5.996   1.302
   64   3HD2  LEU  39          3HD2      LEU  39   4.926   4.361   1.150
   65    H    HIS  40           H        HIS  40  -0.523   6.766  -0.291
   66    HA   HIS  40           HA       HIS  40  -1.540   4.462   1.040
   67   1HB   HIS  40          2HB       HIS  40  -2.026   6.874   1.525
   68   2HB   HIS  40          1HB       HIS  40  -3.005   6.935   0.059
   69    HD1  HIS  40           1HD      HIS  40  -2.820   4.882   3.275
   70    HD2  HIS  40           2HD      HIS  40  -5.634   6.199   0.494
   71    HE1  HIS  40           1HE      HIS  40  -5.083   4.147   4.143
   72    H    ASN  41           H        ASN  41  -2.221   5.826  -2.155
   73    HA   ASN  41           HA       ASN  41  -4.488   4.264  -2.862
   74   1HB   ASN  41          2HB       ASN  41  -3.426   6.252  -4.041
   75   2HB   ASN  41          1HB       ASN  41  -2.205   5.137  -4.658
   76   1HD2  ASN  41          1HD2      ASN  41  -3.596   6.255  -6.667
   77   2HD2  ASN  41          2HD2      ASN  41  -4.796   5.222  -7.279
   78    H    LEU  42           H        LEU  42  -1.021   3.525  -2.955
   79    HA   LEU  42           HA       LEU  42  -1.144   1.108  -4.476
   80   1HB   LEU  42          2HB       LEU  42   0.888   2.423  -3.914
   81   2HB   LEU  42          1HB       LEU  42   0.710   1.951  -2.224
   82    HG   LEU  42           HG       LEU  42   0.773  -0.476  -3.063
   83   1HD1  LEU  42          1HD1      LEU  42   2.304   0.487  -5.417
   84   2HD1  LEU  42          2HD1      LEU  42   0.551   0.645  -5.523
   85   3HD1  LEU  42          3HD1      LEU  42   1.279  -0.937  -5.247
   86   1HD2  LEU  42          1HD2      LEU  42   2.659   0.670  -1.907
   87   2HD2  LEU  42          2HD2      LEU  42   3.244   1.239  -3.470
   88   3HD2  LEU  42          3HD2      LEU  42   3.222  -0.488  -3.112
   89    H    GLY  43           H        GLY  43  -1.661   1.778  -1.034
   90   1HA   GLY  43          1HA       GLY  43  -1.622  -0.902  -0.080
   91   2HA   GLY  43          2HA       GLY  43  -2.514   0.419   0.677
   92    H    GLN  44           H        GLN  44  -4.096   0.941  -1.764
   93    HA   GLN  44           HA       GLN  44  -6.325  -0.794  -1.246
   94   1HB   GLN  44          2HB       GLN  44  -6.361   1.541  -2.163
   95   2HB   GLN  44          1HB       GLN  44  -5.705   0.916  -3.677
   96   1HG   GLN  44          2HG       GLN  44  -7.668  -0.575  -3.903
   97   2HG   GLN  44          1HG       GLN  44  -8.327   0.076  -2.401
   98   1HE2  GLN  44          1HE2      GLN  44  -9.940   0.424  -4.593
   99   2HE2  GLN  44          2HE2      GLN  44  -9.891   2.031  -5.140
  100    H    HIS  45           H        HIS  45  -3.631  -0.970  -3.502
  101    HA   HIS  45           HA       HIS  45  -4.728  -2.879  -5.340
  102   1HB   HIS  45          2HB       HIS  45  -2.685  -1.475  -5.649
  103   2HB   HIS  45          1HB       HIS  45  -1.865  -2.447  -4.427
  104    HD1  HIS  45           1HD      HIS  45  -3.766  -3.062  -7.686
  105    HD2  HIS  45           2HD      HIS  45  -0.542  -4.599  -5.536
  106    HE1  HIS  45           1HE      HIS  45  -2.783  -4.920  -9.099
  107    H    ILE  46           H        ILE  46  -2.948  -3.243  -2.276
  108    HA   ILE  46           HA       ILE  46  -2.657  -6.097  -2.373
  109    HB   ILE  46           HB       ILE  46  -1.532  -4.316  -0.893
  110   1HG1  ILE  46          2HG1      ILE  46  -2.641  -6.696   0.609
  111   2HG1  ILE  46          1HG1      ILE  46  -1.395  -6.850  -0.629
  112   1HG2  ILE  46          1HG2      ILE  46  -3.442  -4.754   1.262
  113   2HG2  ILE  46          2HG2      ILE  46  -4.179  -3.901  -0.094
  114   3HG2  ILE  46          3HG2      ILE  46  -2.740  -3.243   0.684
  115   1HD1  ILE  46          1HD1      ILE  46  -1.100  -4.933   1.686
  116   2HD1  ILE  46          2HD1      ILE  46   0.158  -5.560   0.621
  117   3HD1  ILE  46          3HD1      ILE  46  -0.597  -6.619   1.813
  118    H    TYR  47           H        TYR  47  -5.378  -4.046  -1.740
  119    HA   TYR  47           HA       TYR  47  -6.938  -5.771  -0.063
  120   1HB   TYR  47          2HB       TYR  47  -7.332  -3.352  -0.513
  121   2HB   TYR  47          1HB       TYR  47  -7.787  -3.755  -2.168
  122    HD1  TYR  47           1HD      TYR  47  -8.742  -4.064   1.392
  123    HD2  TYR  47           2HD      TYR  47  -9.905  -4.811  -2.676
  124    HE1  TYR  47           1HE      TYR  47 -11.055  -4.556   2.143
  125    HE2  TYR  47           2HE      TYR  47 -12.218  -5.301  -1.925
  126    HH   TYR  47           HH       TYR  47 -13.114  -6.163   0.814
  127    H    GLU  48           H        GLU  48  -6.416  -5.652  -3.549
  128    HA   GLU  48           HA       GLU  48  -8.582  -7.398  -4.307
  129   1HB   GLU  48          2HB       GLU  48  -5.905  -6.733  -5.575
  130   2HB   GLU  48          1HB       GLU  48  -7.223  -7.559  -6.406
  131   1HG   GLU  48          2HG       GLU  48  -8.694  -5.614  -6.001
  132   2HG   GLU  48          1HG       GLU  48  -7.370  -4.788  -5.180
  133    H    THR  49           H        THR  49  -5.322  -7.940  -3.110
  134    HA   THR  49           HA       THR  49  -4.970 -10.662  -3.900
  135    HB   THR  49           HB       THR  49  -4.022  -9.181  -1.423
  136    HG1  THR  49           1HG      THR  49  -3.644  -8.467  -3.798
  137   1HG2  THR  49          1HG2      THR  49  -2.030 -10.781  -1.811
  138   2HG2  THR  49          2HG2      THR  49  -3.146 -11.708  -2.814
  139   3HG2  THR  49          3HG2      THR  49  -3.495 -11.460  -1.103
  140    H    TYR  50           H        TYR  50  -6.653  -9.190  -1.148
  141    HA   TYR  50           HA       TYR  50  -7.092 -11.608   0.349
  142   1HB   TYR  50          1HB       TYR  50  -8.597  -8.977   0.159
  143   2HB   TYR  50          2HB       TYR  50  -8.854 -10.179   1.423
  144    HD1  TYR  50           1HD      TYR  50  -7.094 -10.660   3.086
  145    HD2  TYR  50           2HD      TYR  50  -6.593  -7.612   0.100
  146    HE1  TYR  50           1HE      TYR  50  -5.182  -9.726   4.359
  147    HE2  TYR  50           2HE      TYR  50  -4.681  -6.679   1.373
  148    HH   TYR  50           HH       TYR  50  -3.704  -6.679   3.484
  149    H    GLY  51           H        GLY  51  -8.797 -10.078  -2.340
  150   1HA   GLY  51          2HA       GLY  51 -10.919 -12.161  -2.182
  151   2HA   GLY  51          1HA       GLY  51 -11.026 -10.674  -3.125
  152   1HN   NH2  52          1H        GLY  51 -10.679 -10.962  -5.327
  153   2HN   NH2  52          2H        GLY  51  -9.787 -12.229  -6.020
  Start of MODEL   13
    1   1H    ACE  33          1H        ACE  33   7.544  13.028  -6.346
    2   2H    ACE  33          2H        ACE  33   7.698  14.194  -5.032
    3   3H    ACE  33          3H        ACE  33   7.449  14.756  -6.684
    4    H    PHE  34           H        PHE  34   5.581  12.057  -6.367
    5    HA   PHE  34           HA       PHE  34   3.093  13.504  -6.392
    6   1HB   PHE  34          2HB       PHE  34   4.054  10.676  -6.294
    7   2HB   PHE  34          1HB       PHE  34   2.362  10.971  -5.892
    8    HD1  PHE  34           1HD      PHE  34   0.806  11.068  -7.625
    9    HD2  PHE  34           2HD      PHE  34   4.927  11.948  -8.454
   10    HE1  PHE  34           1HE      PHE  34   0.272  11.296 -10.037
   11    HE2  PHE  34           2HE      PHE  34   4.394  12.176 -10.865
   12    HZ   PHE  34           HZ       PHE  34   2.066  11.851 -11.657
   13    HA   PRO  35           HA       PRO  35   2.363  14.262  -2.123
   14   1HB   PRO  35          2HB       PRO  35  -0.300  13.662  -1.948
   15   2HB   PRO  35          1HB       PRO  35   0.303  15.174  -2.653
   16   1HG   PRO  35          2HG       PRO  35  -0.641  12.691  -4.003
   17   2HG   PRO  35          1HG       PRO  35  -0.906  14.384  -4.445
   18   1HD   PRO  35          2HD       PRO  35   0.935  12.779  -5.658
   19   2HD   PRO  35          1HD       PRO  35   1.102  14.542  -5.535
   20    H    ARG  36           H        ARG  36   2.164  12.963  -0.197
   21    HA   ARG  36           HA       ARG  36   2.834  10.205  -0.426
   22   1HB   ARG  36          2HB       ARG  36   3.334  11.558   1.536
   23   2HB   ARG  36          1HB       ARG  36   1.616  11.830   1.826
   24   1HG   ARG  36          2HG       ARG  36   2.757   9.993   3.231
   25   2HG   ARG  36          1HG       ARG  36   1.245   9.565   2.432
   26   1HD   ARG  36          2HD       ARG  36   2.539   8.547   0.559
   27   2HD   ARG  36          1HD       ARG  36   4.044   8.931   1.420
   28    HE   ARG  36           HE       ARG  36   2.223   6.774   2.094
   29   1HH1  ARG  36          1HH1      ARG  36   4.506   9.082   3.261
   30   2HH1  ARG  36          2HH1      ARG  36   4.777   8.252   4.755
   31   1HH2  ARG  36          1HH2      ARG  36   2.497   5.730   4.086
   32   2HH2  ARG  36          2HH2      ARG  36   3.643   6.358   5.223
   33    H    ILE  37           H        ILE  37  -0.293  11.835  -0.153
   34    HA   ILE  37           HA       ILE  37  -1.994   9.719   0.561
   35    HB   ILE  37           HB       ILE  37  -2.335  11.893  -1.540
   36   1HG1  ILE  37          2HG1      ILE  37  -3.139  11.841   1.385
   37   2HG1  ILE  37          1HG1      ILE  37  -1.699  12.652   0.766
   38   1HG2  ILE  37          1HG2      ILE  37  -4.012   9.736  -1.026
   39   2HG2  ILE  37          2HG2      ILE  37  -4.490  11.253  -1.786
   40   3HG2  ILE  37          3HG2      ILE  37  -4.699  11.033  -0.049
   41   1HD1  ILE  37          1HD1      ILE  37  -3.207  14.414   0.725
   42   2HD1  ILE  37          2HD1      ILE  37  -4.585  13.363   0.396
   43   3HD1  ILE  37          3HD1      ILE  37  -3.449  13.761  -0.895
   44    H    TRP  38           H        TRP  38  -0.163  10.233  -2.366
   45    HA   TRP  38           HA       TRP  38  -1.585   8.405  -4.088
   46   1HB   TRP  38          2HB       TRP  38   0.060  10.202  -4.739
   47   2HB   TRP  38          1HB       TRP  38   1.346   9.198  -4.069
   48    HD1  TRP  38           HD       TRP  38   2.218   7.225  -5.491
   49    HE1  TRP  38           1HE      TRP  38   1.672   6.325  -7.844
   50    HE3  TRP  38           3HE      TRP  38  -2.003   9.914  -6.509
   51    HZ2  TRP  38           2HZ      TRP  38  -0.293   6.695  -9.887
   52    HZ3  TRP  38           3HZ      TRP  38  -3.190   9.620  -8.664
   53    HH2  TRP  38           HH       TRP  38  -2.342   8.015 -10.353
   54    H    LEU  39           H        LEU  39   1.101   8.048  -1.779
   55    HA   LEU  39           HA       LEU  39   1.781   5.334  -2.410
   56   1HB   LEU  39          1HB       LEU  39   3.089   7.004  -1.053
   57   2HB   LEU  39          2HB       LEU  39   1.911   6.800   0.245
   58    HG   LEU  39           HG       LEU  39   2.423   4.330   0.208
   59   1HD1  LEU  39          1HD1      LEU  39   5.028   4.593  -1.008
   60   2HD1  LEU  39          2HD1      LEU  39   3.781   5.071  -2.161
   61   3HD1  LEU  39          3HD1      LEU  39   3.727   3.474  -1.415
   62   1HD2  LEU  39          1HD2      LEU  39   4.946   4.851   1.019
   63   2HD2  LEU  39          2HD2      LEU  39   3.532   5.261   1.988
   64   3HD2  LEU  39          3HD2      LEU  39   4.307   6.494   0.994
   65    H    HIS  40           H        HIS  40  -0.667   6.791  -0.326
   66    HA   HIS  40           HA       HIS  40  -1.487   4.437   1.081
   67   1HB   HIS  40          1HB       HIS  40  -2.050   6.800   1.648
   68   2HB   HIS  40          2HB       HIS  40  -3.065   6.885   0.209
   69    HD1  HIS  40           1HD      HIS  40  -2.753   4.640   3.291
   70    HD2  HIS  40           2HD      HIS  40  -5.677   6.176   0.748
   71    HE1  HIS  40           1HE      HIS  40  -4.981   3.863   4.210
   72    H    ASN  41           H        ASN  41  -2.379   5.788  -2.065
   73    HA   ASN  41           HA       ASN  41  -4.613   4.110  -2.648
   74   1HB   ASN  41          2HB       ASN  41  -3.783   6.196  -3.838
   75   2HB   ASN  41          1HB       ASN  41  -2.526   5.194  -4.563
   76   1HD2  ASN  41          1HD2      ASN  41  -3.103   4.396  -6.585
   77   2HD2  ASN  41          2HD2      ASN  41  -4.690   4.070  -7.093
   78    H    LEU  42           H        LEU  42  -1.119   3.620  -2.990
   79    HA   LEU  42           HA       LEU  42  -1.118   1.275  -4.592
   80   1HB   LEU  42          2HB       LEU  42   0.688   2.088  -2.288
   81   2HB   LEU  42          1HB       LEU  42   1.106   0.943  -3.562
   82    HG   LEU  42           HG       LEU  42   0.482   3.890  -3.913
   83   1HD1  LEU  42          1HD1      LEU  42   2.724   4.224  -3.987
   84   2HD1  LEU  42          2HD1      LEU  42   2.992   2.771  -4.951
   85   3HD1  LEU  42          3HD1      LEU  42   2.847   2.652  -3.197
   86   1HD2  LEU  42          1HD2      LEU  42   1.382   3.115  -6.321
   87   2HD2  LEU  42          2HD2      LEU  42  -0.331   3.076  -5.907
   88   3HD2  LEU  42          3HD2      LEU  42   0.631   1.601  -5.818
   89    H    GLY  43           H        GLY  43  -1.620   1.718  -1.107
   90   1HA   GLY  43          1HA       GLY  43  -1.457  -0.971  -0.263
   91   2HA   GLY  43          2HA       GLY  43  -2.491   0.240   0.495
   92    H    GLN  44           H        GLN  44  -3.917   0.678  -2.118
   93    HA   GLN  44           HA       GLN  44  -6.139  -1.040  -1.741
   94   1HB   GLN  44          2HB       GLN  44  -6.010   1.145  -2.995
   95   2HB   GLN  44          1HB       GLN  44  -5.198   0.286  -4.305
   96   1HG   GLN  44          2HG       GLN  44  -7.149  -1.204  -4.543
   97   2HG   GLN  44          1HG       GLN  44  -7.960  -0.360  -3.223
   98   1HE2  GLN  44          1HE2      GLN  44  -9.305  -0.333  -5.628
   99   2HE2  GLN  44          2HE2      GLN  44  -9.188   1.190  -6.370
  100    H    HIS  45           H        HIS  45  -3.239  -1.402  -3.739
  101    HA   HIS  45           HA       HIS  45  -4.057  -3.636  -5.313
  102   1HB   HIS  45          2HB       HIS  45  -1.365  -2.780  -4.204
  103   2HB   HIS  45          1HB       HIS  45  -1.574  -3.975  -5.484
  104    HD1  HIS  45           1HD      HIS  45  -2.102  -0.301  -4.761
  105    HD2  HIS  45           2HD      HIS  45  -2.135  -2.896  -8.022
  106    HE1  HIS  45           1HE      HIS  45  -2.245   1.152  -6.830
  107    H    ILE  46           H        ILE  46  -2.719  -3.426  -2.031
  108    HA   ILE  46           HA       ILE  46  -2.292  -6.257  -1.667
  109    HB   ILE  46           HB       ILE  46  -2.814  -4.002   0.298
  110   1HG1  ILE  46          2HG1      ILE  46  -0.192  -5.146  -0.710
  111   2HG1  ILE  46          1HG1      ILE  46  -0.906  -3.642  -1.290
  112   1HG2  ILE  46          1HG2      ILE  46  -1.196  -5.688   1.616
  113   2HG2  ILE  46          2HG2      ILE  46  -2.011  -6.862   0.583
  114   3HG2  ILE  46          3HG2      ILE  46  -2.952  -5.845   1.674
  115   1HD1  ILE  46          1HD1      ILE  46   0.720  -4.030   1.018
  116   2HD1  ILE  46          2HD1      ILE  46  -0.896  -3.596   1.576
  117   3HD1  ILE  46          3HD1      ILE  46  -0.033  -2.535   0.463
  118    H    TYR  47           H        TYR  47  -4.997  -4.077  -0.935
  119    HA   TYR  47           HA       TYR  47  -6.630  -6.034   0.415
  120   1HB   TYR  47          2HB       TYR  47  -7.240  -3.456  -1.066
  121   2HB   TYR  47          1HB       TYR  47  -8.398  -4.304  -0.041
  122    HD1  TYR  47           1HD      TYR  47  -5.768  -1.895  -0.118
  123    HD2  TYR  47           2HD      TYR  47  -7.633  -4.836   2.396
  124    HE1  TYR  47           1HE      TYR  47  -4.800  -0.797   1.883
  125    HE2  TYR  47           2HE      TYR  47  -6.664  -3.738   4.398
  126    HH   TYR  47           HH       TYR  47  -4.242  -1.929   4.510
  127    H    GLU  48           H        GLU  48  -6.148  -5.167  -2.960
  128    HA   GLU  48           HA       GLU  48  -8.493  -6.467  -4.023
  129   1HB   GLU  48          2HB       GLU  48  -7.119  -4.735  -5.159
  130   2HB   GLU  48          1HB       GLU  48  -5.780  -5.881  -5.256
  131   1HG   GLU  48          2HG       GLU  48  -7.340  -7.435  -6.516
  132   2HG   GLU  48          1HG       GLU  48  -8.492  -6.102  -6.589
  133    H    THR  49           H        THR  49  -5.552  -7.689  -2.723
  134    HA   THR  49           HA       THR  49  -5.355 -10.119  -4.297
  135    HB   THR  49           HB       THR  49  -4.348  -9.415  -1.520
  136    HG1  THR  49           1HG      THR  49  -3.516  -7.940  -2.887
  137   1HG2  THR  49          1HG2      THR  49  -3.457 -11.487  -3.544
  138   2HG2  THR  49          2HG2      THR  49  -4.202 -11.808  -1.979
  139   3HG2  THR  49          3HG2      THR  49  -2.590 -11.096  -2.058
  140    H    TYR  50           H        TYR  50  -6.800  -9.322  -1.125
  141    HA   TYR  50           HA       TYR  50  -7.753 -12.081  -0.753
  142   1HB   TYR  50          1HB       TYR  50  -8.304 -11.315   1.405
  143   2HB   TYR  50          2HB       TYR  50  -6.933 -10.293   0.978
  144    HD1  TYR  50           1HD      TYR  50 -10.647 -10.427   1.120
  145    HD2  TYR  50           2HD      TYR  50  -7.174  -7.930   0.735
  146    HE1  TYR  50           1HE      TYR  50 -12.065  -8.412   1.400
  147    HE2  TYR  50           2HE      TYR  50  -8.591  -5.916   1.016
  148    HH   TYR  50           HH       TYR  50 -12.090  -6.200   1.628
  149    H    GLY  51           H        GLY  51  -8.899  -9.181  -2.230
  150   1HA   GLY  51          2HA       GLY  51 -11.744  -9.870  -1.953
  151   2HA   GLY  51          1HA       GLY  51 -11.092  -8.499  -2.850
  152   1HN   NH2  52          1H        GLY  51 -12.133  -8.904  -4.871
  153   2HN   NH2  52          2H        GLY  51 -11.844 -10.297  -5.798
  Start of MODEL   14
    1   1H    ACE  33          1H        ACE  33  -4.759  16.424   0.419
    2   2H    ACE  33          2H        ACE  33  -4.774  16.482  -1.343
    3   3H    ACE  33          3H        ACE  33  -4.497  17.956  -0.415
    4    H    PHE  34           H        PHE  34  -2.862  15.799   1.334
    5    HA   PHE  34           HA       PHE  34  -0.265  16.665   0.491
    6   1HB   PHE  34          2HB       PHE  34  -1.499  15.173   2.567
    7   2HB   PHE  34          1HB       PHE  34  -0.227  14.149   1.901
    8    HD1  PHE  34           1HD      PHE  34  -0.608  17.846   2.467
    9    HD2  PHE  34           2HD      PHE  34   1.750  14.314   3.118
   10    HE1  PHE  34           1HE      PHE  34   1.102  19.204   3.642
   11    HE2  PHE  34           2HE      PHE  34   3.460  15.673   4.292
   12    HZ   PHE  34           HZ       PHE  34   3.136  18.118   4.555
   13    HA   PRO  35           HA       PRO  35   0.423  14.070  -2.992
   14   1HB   PRO  35          2HB       PRO  35   3.137  13.782  -2.832
   15   2HB   PRO  35          1HB       PRO  35   2.358  15.259  -3.428
   16   1HG   PRO  35          2HG       PRO  35   3.523  14.670  -0.749
   17   2HG   PRO  35          1HG       PRO  35   3.598  16.155  -1.708
   18   1HD   PRO  35          2HD       PRO  35   1.905  15.807   0.400
   19   2HD   PRO  35          1HD       PRO  35   1.553  16.881  -0.969
   20    H    ARG  36           H        ARG  36   1.365  13.263   0.264
   21    HA   ARG  36           HA       ARG  36   2.375  10.617  -0.156
   22   1HB   ARG  36          2HB       ARG  36   2.629  11.858   1.930
   23   2HB   ARG  36          1HB       ARG  36   0.880  11.907   2.150
   24   1HG   ARG  36          2HG       ARG  36   2.130  10.104   3.475
   25   2HG   ARG  36          1HG       ARG  36   0.762   9.549   2.512
   26   1HD   ARG  36          2HD       ARG  36   2.676   8.042   2.162
   27   2HD   ARG  36          1HD       ARG  36   2.380   8.956   0.670
   28    HE   ARG  36           HE       ARG  36   4.375   9.920   2.689
   29   1HH1  ARG  36          1HH1      ARG  36   5.623   7.985   0.888
   30   2HH1  ARG  36          2HH1      ARG  36   6.136   8.953  -0.454
   31   1HH2  ARG  36          1HH2      ARG  36   4.090  11.634   0.359
   32   2HH2  ARG  36          2HH2      ARG  36   5.267  11.020  -0.754
   33    H    ILE  37           H        ILE  37  -0.906  11.906  -0.023
   34    HA   ILE  37           HA       ILE  37  -2.446   9.621   0.492
   35    HB   ILE  37           HB       ILE  37  -2.830  11.832  -1.558
   36   1HG1  ILE  37          2HG1      ILE  37  -3.875  11.572   1.277
   37   2HG1  ILE  37          1HG1      ILE  37  -2.467  12.535   0.827
   38   1HG2  ILE  37          1HG2      ILE  37  -4.587  10.525  -2.186
   39   2HG2  ILE  37          2HG2      ILE  37  -5.324  11.114  -0.697
   40   3HG2  ILE  37          3HG2      ILE  37  -4.509   9.550  -0.718
   41   1HD1  ILE  37          1HD1      ILE  37  -4.115  13.601  -0.926
   42   2HD1  ILE  37          2HD1      ILE  37  -4.170  14.133   0.754
   43   3HD1  ILE  37          3HD1      ILE  37  -5.363  12.980   0.154
   44    H    TRP  38           H        TRP  38  -0.422  10.359  -2.238
   45    HA   TRP  38           HA       TRP  38  -1.560   8.467  -4.114
   46   1HB   TRP  38          2HB       TRP  38  -0.076  10.463  -4.585
   47   2HB   TRP  38          1HB       TRP  38   1.267   9.548  -3.902
   48    HD1  TRP  38           HD       TRP  38  -0.993   9.755  -6.940
   49    HE1  TRP  38           1HE      TRP  38  -0.091   8.183  -8.774
   50    HE3  TRP  38           3HE      TRP  38   2.628   7.306  -4.299
   51    HZ2  TRP  38           2HZ      TRP  38   1.904   6.156  -9.080
   52    HZ3  TRP  38           3HZ      TRP  38   4.013   5.562  -5.386
   53    HH2  TRP  38           HH       TRP  38   3.656   4.984  -7.770
   54    H    LEU  39           H        LEU  39   0.879   8.296  -1.554
   55    HA   LEU  39           HA       LEU  39   1.903   5.675  -2.260
   56   1HB   LEU  39          2HB       LEU  39   3.082   7.371  -0.878
   57   2HB   LEU  39          1HB       LEU  39   1.843   7.201   0.366
   58    HG   LEU  39           HG       LEU  39   2.451   4.662   0.270
   59   1HD1  LEU  39          1HD1      LEU  39   4.609   5.975  -1.315
   60   2HD1  LEU  39          2HD1      LEU  39   3.925   4.357  -1.472
   61   3HD1  LEU  39          3HD1      LEU  39   5.091   4.700  -0.195
   62   1HD2  LEU  39          1HD2      LEU  39   2.885   6.074   2.218
   63   2HD2  LEU  39          2HD2      LEU  39   4.318   6.747   1.442
   64   3HD2  LEU  39          3HD2      LEU  39   4.289   5.049   1.917
   65    H    HIS  40           H        HIS  40  -0.798   6.876  -0.363
   66    HA   HIS  40           HA       HIS  40  -1.392   4.414   1.037
   67   1HB   HIS  40          2HB       HIS  40  -2.941   6.915   0.307
   68   2HB   HIS  40          1HB       HIS  40  -3.622   5.636   1.314
   69    HD1  HIS  40           1HD      HIS  40  -2.382   5.165   3.622
   70    HD2  HIS  40           2HD      HIS  40  -1.131   8.601   1.620
   71    HE1  HIS  40           1HE      HIS  40  -1.079   6.539   5.304
   72    H    ASN  41           H        ASN  41  -2.211   5.735  -2.117
   73    HA   ASN  41           HA       ASN  41  -4.417   4.050  -2.788
   74   1HB   ASN  41          1HB       ASN  41  -2.214   5.327  -4.442
   75   2HB   ASN  41          2HB       ASN  41  -3.690   4.643  -5.123
   76   1HD2  ASN  41          1HD2      ASN  41  -5.628   5.513  -3.291
   77   2HD2  ASN  41          2HD2      ASN  41  -5.687   7.209  -3.281
   78    H    LEU  42           H        LEU  42  -0.905   3.566  -3.036
   79    HA   LEU  42           HA       LEU  42  -0.893   1.169  -4.572
   80   1HB   LEU  42          2HB       LEU  42   1.052   2.617  -3.977
   81   2HB   LEU  42          1HB       LEU  42   0.937   2.048  -2.312
   82    HG   LEU  42           HG       LEU  42   1.156  -0.321  -3.264
   83   1HD1  LEU  42          1HD1      LEU  42   2.490   0.922  -5.627
   84   2HD1  LEU  42          2HD1      LEU  42   0.731   0.806  -5.657
   85   3HD1  LEU  42          3HD1      LEU  42   1.707  -0.652  -5.479
   86   1HD2  LEU  42          1HD2      LEU  42   3.025   0.628  -2.107
   87   2HD2  LEU  42          2HD2      LEU  42   3.385   1.717  -3.446
   88   3HD2  LEU  42          3HD2      LEU  42   3.665  -0.015  -3.619
   89    H    GLY  43           H        GLY  43  -1.323   1.711  -1.084
   90   1HA   GLY  43          1HA       GLY  43  -1.170  -1.024  -0.272
   91   2HA   GLY  43          2HA       GLY  43  -2.015   0.246   0.615
   92    H    GLN  44           H        GLN  44  -3.694   0.827  -1.820
   93    HA   GLN  44           HA       GLN  44  -5.936  -0.848  -1.185
   94   1HB   GLN  44          2HB       GLN  44  -5.274   0.904  -3.576
   95   2HB   GLN  44          1HB       GLN  44  -6.881   0.274  -3.217
   96   1HG   GLN  44          2HG       GLN  44  -6.890   1.451  -1.067
   97   2HG   GLN  44          1HG       GLN  44  -5.251   2.032  -1.358
   98   1HE2  GLN  44          1HE2      GLN  44  -7.373   3.890  -0.970
   99   2HE2  GLN  44          2HE2      GLN  44  -7.673   4.694  -2.434
  100    H    HIS  45           H        HIS  45  -3.332  -1.129  -3.540
  101    HA   HIS  45           HA       HIS  45  -4.497  -3.030  -5.315
  102   1HB   HIS  45          2HB       HIS  45  -1.666  -2.501  -4.367
  103   2HB   HIS  45          1HB       HIS  45  -2.046  -3.593  -5.700
  104    HD1  HIS  45           1HD      HIS  45  -2.394   0.051  -4.701
  105    HD2  HIS  45           2HD      HIS  45  -2.610  -2.317  -8.125
  106    HE1  HIS  45           1HE      HIS  45  -2.585   1.642  -6.661
  107    H    ILE  46           H        ILE  46  -2.842  -3.428  -2.194
  108    HA   ILE  46           HA       ILE  46  -2.676  -6.298  -2.243
  109    HB   ILE  46           HB       ILE  46  -1.524  -4.544  -0.742
  110   1HG1  ILE  46          2HG1      ILE  46  -2.782  -6.847   0.760
  111   2HG1  ILE  46          1HG1      ILE  46  -1.529  -7.090  -0.456
  112   1HG2  ILE  46          1HG2      ILE  46  -3.614  -4.916   1.294
  113   2HG2  ILE  46          2HG2      ILE  46  -4.125  -3.920  -0.069
  114   3HG2  ILE  46          3HG2      ILE  46  -2.704  -3.466   0.870
  115   1HD1  ILE  46          1HD1      ILE  46  -0.772  -6.846   2.008
  116   2HD1  ILE  46          2HD1      ILE  46  -1.149  -5.134   1.811
  117   3HD1  ILE  46          3HD1      ILE  46   0.079  -5.888   0.796
  118    H    TYR  47           H        TYR  47  -5.294  -4.080  -1.653
  119    HA   TYR  47           HA       TYR  47  -7.012  -5.716  -0.060
  120   1HB   TYR  47          2HB       TYR  47  -7.262  -3.283  -0.518
  121   2HB   TYR  47          1HB       TYR  47  -7.654  -3.656  -2.196
  122    HD1  TYR  47           1HD      TYR  47  -9.806  -4.556  -2.819
  123    HD2  TYR  47           2HD      TYR  47  -8.799  -3.952   1.313
  124    HE1  TYR  47           1HE      TYR  47 -12.178  -4.914  -2.188
  125    HE2  TYR  47           2HE      TYR  47 -11.171  -4.310   1.944
  126    HH   TYR  47           HH       TYR  47 -13.652  -4.076  -0.032
  127    H    GLU  48           H        GLU  48  -6.438  -5.565  -3.548
  128    HA   GLU  48           HA       GLU  48  -8.631  -7.231  -4.367
  129   1HB   GLU  48          2HB       GLU  48  -7.266  -5.720  -5.809
  130   2HB   GLU  48          1HB       GLU  48  -5.890  -6.805  -5.604
  131   1HG   GLU  48          2HG       GLU  48  -7.282  -8.655  -6.569
  132   2HG   GLU  48          1HG       GLU  48  -8.551  -7.476  -6.896
  133    H    THR  49           H        THR  49  -5.468  -7.914  -3.024
  134    HA   THR  49           HA       THR  49  -5.176 -10.639  -3.844
  135    HB   THR  49           HB       THR  49  -4.291  -9.248  -1.293
  136    HG1  THR  49           1HG      THR  49  -3.028  -9.455  -3.822
  137   1HG2  THR  49          1HG2      THR  49  -2.327 -10.872  -1.632
  138   2HG2  THR  49          2HG2      THR  49  -3.382 -11.726  -2.757
  139   3HG2  THR  49          3HG2      THR  49  -3.845 -11.566  -1.063
  140    H    TYR  50           H        TYR  50  -6.920  -9.134  -1.146
  141    HA   TYR  50           HA       TYR  50  -7.524 -11.547   0.296
  142   1HB   TYR  50          1HB       TYR  50  -8.917  -8.859   0.069
  143   2HB   TYR  50          2HB       TYR  50  -9.276 -10.064   1.307
  144    HD1  TYR  50           1HD      TYR  50  -7.645 -10.599   3.064
  145    HD2  TYR  50           2HD      TYR  50  -6.830  -7.603   0.095
  146    HE1  TYR  50           1HE      TYR  50  -5.758  -9.753   4.434
  147    HE2  TYR  50           2HE      TYR  50  -4.944  -6.757   1.465
  148    HH   TYR  50           HH       TYR  50  -4.063  -6.798   3.602
  149    H    GLY  51           H        GLY  51  -9.034  -9.929  -2.454
  150   1HA   GLY  51          2HA       GLY  51 -10.294 -11.433  -4.013
  151   2HA   GLY  51          1HA       GLY  51 -11.012 -12.173  -2.582
  152   1HN   NH2  52          1H        GLY  51 -11.615  -9.903  -4.992
  153   2HN   NH2  52          2H        GLY  51 -12.811  -8.992  -4.204
  Start of MODEL   15
    1   1H    ACE  33          1H        ACE  33   4.745  11.289  -5.950
    2   2H    ACE  33          2H        ACE  33   3.220  12.070  -5.533
    3   3H    ACE  33          3H        ACE  33   3.516  10.402  -5.048
    4    H    PHE  34           H        PHE  34   4.777  13.709  -4.581
    5    HA   PHE  34           HA       PHE  34   6.487  13.215  -2.388
    6   1HB   PHE  34          2HB       PHE  34   6.085  15.325  -3.789
    7   2HB   PHE  34          1HB       PHE  34   4.707  15.638  -2.733
    8    HD1  PHE  34           1HD      PHE  34   5.104  17.036  -0.916
    9    HD2  PHE  34           2HD      PHE  34   8.296  14.573  -2.395
   10    HE1  PHE  34           1HE      PHE  34   6.631  17.990   0.790
   11    HE2  PHE  34           2HE      PHE  34   9.823  15.526  -0.691
   12    HZ   PHE  34           HZ       PHE  34   8.991  17.235   0.903
   13    HA   PRO  35           HA       PRO  35   2.753  13.970   0.488
   14   1HB   PRO  35          1HB       PRO  35   0.247  13.570  -0.524
   15   2HB   PRO  35          2HB       PRO  35   1.038  15.157  -0.491
   16   1HG   PRO  35          2HG       PRO  35   0.691  13.252  -2.740
   17   2HG   PRO  35          1HG       PRO  35   0.668  15.019  -2.742
   18   1HD   PRO  35          2HD       PRO  35   2.797  13.485  -3.558
   19   2HD   PRO  35          1HD       PRO  35   2.923  15.165  -3.004
   20    H    ARG  36           H        ARG  36   2.190  12.248   1.809
   21    HA   ARG  36           HA       ARG  36   2.781   9.576   1.026
   22   1HB   ARG  36          2HB       ARG  36   2.885  10.339   3.321
   23   2HB   ARG  36          1HB       ARG  36   1.176  10.774   3.301
   24   1HG   ARG  36          2HG       ARG  36   1.702   8.562   4.432
   25   2HG   ARG  36          1HG       ARG  36   0.508   8.469   3.138
   26   1HD   ARG  36          2HD       ARG  36   2.288   7.744   1.560
   27   2HD   ARG  36          1HD       ARG  36   3.465   7.801   2.886
   28    HE   ARG  36           HE       ARG  36   1.045   6.024   2.908
   29   1HH1  ARG  36          1HH1      ARG  36   2.977   6.814   5.296
   30   2HH1  ARG  36          2HH1      ARG  36   3.862   5.331   5.428
   31   1HH2  ARG  36          1HH2      ARG  36   2.753   4.090   2.385
   32   2HH2  ARG  36          2HH2      ARG  36   3.735   3.787   3.780
   33    H    ILE  37           H        ILE  37  -0.095  11.457   0.590
   34    HA   ILE  37           HA       ILE  37  -2.137   9.500   0.621
   35    HB   ILE  37           HB       ILE  37  -1.721  11.845  -1.268
   36   1HG1  ILE  37          2HG1      ILE  37  -1.524  12.631   0.994
   37   2HG1  ILE  37          1HG1      ILE  37  -3.161  13.019   0.466
   38   1HG2  ILE  37          1HG2      ILE  37  -3.539  10.308  -1.948
   39   2HG2  ILE  37          2HG2      ILE  37  -4.179  11.857  -1.400
   40   3HG2  ILE  37          3HG2      ILE  37  -4.250  10.449  -0.340
   41   1HD1  ILE  37          1HD1      ILE  37  -3.723  12.001   2.440
   42   2HD1  ILE  37          2HD1      ILE  37  -2.241  11.045   2.487
   43   3HD1  ILE  37          3HD1      ILE  37  -3.585  10.541   1.461
   44    H    TRP  38           H        TRP  38   0.525   9.933  -1.575
   45    HA   TRP  38           HA       TRP  38  -0.618   8.508  -3.834
   46   1HB   TRP  38          2HB       TRP  38   2.117   9.367  -2.907
   47   2HB   TRP  38          1HB       TRP  38   1.943   8.353  -4.340
   48    HD1  TRP  38           HD       TRP  38   1.908  11.866  -3.292
   49    HE1  TRP  38           1HE      TRP  38   0.956  13.374  -5.154
   50    HE3  TRP  38           3HE      TRP  38  -0.132   8.318  -6.345
   51    HZ2  TRP  38           2HZ      TRP  38  -0.485  13.111  -7.613
   52    HZ3  TRP  38           3HZ      TRP  38  -1.288   8.972  -8.436
   53    HH2  TRP  38           HH       TRP  38  -1.467  11.362  -9.074
   54    H    LEU  39           H        LEU  39   1.301   7.578  -0.993
   55    HA   LEU  39           HA       LEU  39   1.810   4.859  -1.826
   56   1HB   LEU  39          2HB       LEU  39   1.617   6.108   0.935
   57   2HB   LEU  39          1HB       LEU  39   2.460   4.612   0.532
   58    HG   LEU  39           HG       LEU  39   3.138   7.405  -0.430
   59   1HD1  LEU  39          1HD1      LEU  39   4.007   5.744   1.763
   60   2HD1  LEU  39          2HD1      LEU  39   4.505   7.388   1.359
   61   3HD1  LEU  39          3HD1      LEU  39   5.352   6.011   0.653
   62   1HD2  LEU  39          1HD2      LEU  39   3.505   5.966  -2.302
   63   2HD2  LEU  39          2HD2      LEU  39   4.154   4.685  -1.279
   64   3HD2  LEU  39          3HD2      LEU  39   5.082   6.162  -1.536
   65    H    HIS  40           H        HIS  40  -0.858   6.472  -0.186
   66    HA   HIS  40           HA       HIS  40  -2.191   4.191   0.887
   67   1HB   HIS  40          2HB       HIS  40  -2.691   6.547   1.428
   68   2HB   HIS  40          1HB       HIS  40  -3.263   6.808  -0.219
   69    HD1  HIS  40           1HD      HIS  40  -5.569   5.838  -0.856
   70    HD2  HIS  40           2HD      HIS  40  -4.445   4.975   3.064
   71    HE1  HIS  40           1HE      HIS  40  -7.629   4.916   0.293
   72    H    ASN  41           H        ASN  41  -2.307   5.695  -2.324
   73    HA   ASN  41           HA       ASN  41  -4.467   4.228  -3.439
   74   1HB   ASN  41          2HB       ASN  41  -3.173   6.220  -4.357
   75   2HB   ASN  41          1HB       ASN  41  -1.912   5.082  -4.829
   76   1HD2  ASN  41          1HD2      ASN  41  -2.935   6.313  -6.981
   77   2HD2  ASN  41          2HD2      ASN  41  -4.068   5.355  -7.805
   78    H    LEU  42           H        LEU  42  -1.000   3.431  -3.209
   79    HA   LEU  42           HA       LEU  42  -1.103   0.988  -4.712
   80   1HB   LEU  42          2HB       LEU  42   0.707   1.882  -2.445
   81   2HB   LEU  42          1HB       LEU  42   1.077   0.609  -3.607
   82    HG   LEU  42           HG       LEU  42   0.641   3.548  -4.218
   83   1HD1  LEU  42          1HD1      LEU  42   2.847   3.249  -3.388
   84   2HD1  LEU  42          2HD1      LEU  42   3.022   3.209  -5.142
   85   3HD1  LEU  42          3HD1      LEU  42   3.035   1.706  -4.220
   86   1HD2  LEU  42          1HD2      LEU  42   1.557   2.458  -6.527
   87   2HD2  LEU  42          2HD2      LEU  42  -0.159   2.674  -6.178
   88   3HD2  LEU  42          3HD2      LEU  42   0.605   1.107  -5.909
   89    H    GLY  43           H        GLY  43  -1.713   1.757  -1.311
   90   1HA   GLY  43          1HA       GLY  43  -1.718  -0.897  -0.280
   91   2HA   GLY  43          2HA       GLY  43  -2.616   0.451   0.417
   92    H    GLN  44           H        GLN  44  -4.165   0.955  -2.013
   93    HA   GLN  44           HA       GLN  44  -6.422  -0.720  -1.538
   94   1HB   GLN  44          2HB       GLN  44  -6.318   1.571  -2.603
   95   2HB   GLN  44          1HB       GLN  44  -5.695   0.800  -4.062
   96   1HG   GLN  44          2HG       GLN  44  -8.053   0.988  -4.394
   97   2HG   GLN  44          1HG       GLN  44  -7.769  -0.701  -3.975
   98   1HE2  GLN  44          1HE2      GLN  44  -9.520  -1.322  -2.683
   99   2HE2  GLN  44          2HE2      GLN  44 -10.109  -0.435  -1.361
  100    H    HIS  45           H        HIS  45  -3.769  -0.951  -3.889
  101    HA   HIS  45           HA       HIS  45  -4.854  -3.054  -5.503
  102   1HB   HIS  45          2HB       HIS  45  -2.929  -1.612  -6.085
  103   2HB   HIS  45          1HB       HIS  45  -1.991  -2.340  -4.782
  104    HD1  HIS  45           1HD      HIS  45  -3.918  -3.525  -7.865
  105    HD2  HIS  45           2HD      HIS  45  -0.538  -4.524  -5.637
  106    HE1  HIS  45           1HE      HIS  45  -2.821  -5.471  -9.060
  107    H    ILE  46           H        ILE  46  -2.924  -3.087  -2.513
  108    HA   ILE  46           HA       ILE  46  -2.479  -5.927  -2.418
  109    HB   ILE  46           HB       ILE  46  -2.643  -3.783  -0.277
  110   1HG1  ILE  46          2HG1      ILE  46  -0.225  -4.991  -1.648
  111   2HG1  ILE  46          1HG1      ILE  46  -0.960  -3.461  -2.128
  112   1HG2  ILE  46          1HG2      ILE  46  -1.433  -6.564  -0.205
  113   2HG2  ILE  46          2HG2      ILE  46  -2.855  -6.029   0.691
  114   3HG2  ILE  46          3HG2      ILE  46  -1.270  -5.353   1.067
  115   1HD1  ILE  46          1HD1      ILE  46  -0.701  -3.085   0.564
  116   2HD1  ILE  46          2HD1      ILE  46   0.499  -2.567  -0.620
  117   3HD1  ILE  46          3HD1      ILE  46   0.704  -4.097   0.234
  118    H    TYR  47           H        TYR  47  -5.122  -3.849  -1.364
  119    HA   TYR  47           HA       TYR  47  -6.498  -5.677   0.340
  120   1HB   TYR  47          2HB       TYR  47  -6.905  -3.237   0.119
  121   2HB   TYR  47          1HB       TYR  47  -7.556  -3.505  -1.498
  122    HD1  TYR  47           1HD      TYR  47  -9.733  -4.523  -1.832
  123    HD2  TYR  47           2HD      TYR  47  -8.106  -4.044   2.115
  124    HE1  TYR  47           1HE      TYR  47 -11.953  -5.038  -0.854
  125    HE2  TYR  47           2HE      TYR  47 -10.326  -4.559   3.094
  126    HH   TYR  47           HH       TYR  47 -12.396  -5.303   2.661
  127    H    GLU  48           H        GLU  48  -6.466  -5.308  -3.173
  128    HA   GLU  48           HA       GLU  48  -8.744  -6.997  -3.720
  129   1HB   GLU  48          2HB       GLU  48  -6.308  -6.162  -5.325
  130   2HB   GLU  48          1HB       GLU  48  -7.708  -6.982  -6.016
  131   1HG   GLU  48          2HG       GLU  48  -9.161  -5.133  -5.221
  132   2HG   GLU  48          1HG       GLU  48  -7.738  -4.307  -4.587
  133    H    THR  49           H        THR  49  -5.382  -7.637  -2.986
  134    HA   THR  49           HA       THR  49  -5.144 -10.253  -4.131
  135    HB   THR  49           HB       THR  49  -3.863  -9.040  -1.660
  136    HG1  THR  49           1HG      THR  49  -3.806  -8.092  -3.996
  137   1HG2  THR  49          1HG2      THR  49  -1.956 -10.588  -2.691
  138   2HG2  THR  49          2HG2      THR  49  -3.350 -11.477  -3.305
  139   3HG2  THR  49          3HG2      THR  49  -3.154 -11.233  -1.570
  140    H    TYR  50           H        TYR  50  -6.399  -9.118  -1.004
  141    HA   TYR  50           HA       TYR  50  -6.655 -11.705   0.230
  142   1HB   TYR  50          1HB       TYR  50  -8.155  -9.090   0.600
  143   2HB   TYR  50          2HB       TYR  50  -8.188 -10.436   1.739
  144    HD1  TYR  50           1HD      TYR  50  -6.397  -7.512   0.639
  145    HD2  TYR  50           2HD      TYR  50  -5.967 -11.234   2.737
  146    HE1  TYR  50           1HE      TYR  50  -4.301  -6.686   1.674
  147    HE2  TYR  50           2HE      TYR  50  -3.870 -10.409   3.771
  148    HH   TYR  50           HH       TYR  50  -2.246  -7.638   2.673
  149    H    GLY  51           H        GLY  51  -8.734  -9.843  -1.943
  150   1HA   GLY  51          1HA       GLY  51 -10.689 -10.457  -3.085
  151   2HA   GLY  51          2HA       GLY  51 -10.200 -12.131  -2.813
  152   1HN   NH2  52          1H        GLY  51 -12.954 -11.143  -2.600
  153   2HN   NH2  52          2H        GLY  51 -13.438 -11.370  -0.989
  Start of MODEL   16
    1   1H    ACE  33          1H        ACE  33  -3.496  16.726   0.465
    2   2H    ACE  33          2H        ACE  33  -2.872  18.159   1.283
    3   3H    ACE  33          3H        ACE  33  -2.956  16.619   2.141
    4    H    PHE  34           H        PHE  34  -0.954  15.764   2.384
    5    HA   PHE  34           HA       PHE  34   1.349  16.564   0.868
    6   1HB   PHE  34          2HB       PHE  34   0.755  14.135   2.589
    7   2HB   PHE  34          1HB       PHE  34   2.369  14.617   2.068
    8    HD1  PHE  34           1HD      PHE  34   0.334  14.677   4.804
    9    HD2  PHE  34           2HD      PHE  34   2.620  17.395   2.389
   10    HE1  PHE  34           1HE      PHE  34   0.476  16.253   6.713
   11    HE2  PHE  34           2HE      PHE  34   2.761  18.972   4.298
   12    HZ   PHE  34           HZ       PHE  34   1.690  18.401   6.460
   13    HA   PRO  35           HA       PRO  35   0.899  14.149  -2.769
   14   1HB   PRO  35          2HB       PRO  35   3.508  13.512  -3.294
   15   2HB   PRO  35          1HB       PRO  35   2.823  15.115  -3.619
   16   1HG   PRO  35          2HG       PRO  35   4.505  14.193  -1.341
   17   2HG   PRO  35          1HG       PRO  35   4.543  15.727  -2.221
   18   1HD   PRO  35          2HD       PRO  35   3.376  15.415   0.226
   19   2HD   PRO  35          1HD       PRO  35   2.863  16.634  -0.958
   20    H    ARG  36           H        ARG  36   2.311  13.029   0.167
   21    HA   ARG  36           HA       ARG  36   2.962  10.331  -0.477
   22   1HB   ARG  36          2HB       ARG  36   3.595  11.392   1.609
   23   2HB   ARG  36          1HB       ARG  36   1.905  11.670   2.031
   24   1HG   ARG  36          2HG       ARG  36   2.991   9.663   3.162
   25   2HG   ARG  36          1HG       ARG  36   1.494   9.321   2.293
   26   1HD   ARG  36          2HD       ARG  36   2.790   8.528   0.342
   27   2HD   ARG  36          1HD       ARG  36   4.302   8.893   1.198
   28    HE   ARG  36           HE       ARG  36   2.889   6.498   1.564
   29   1HH1  ARG  36          1HH2      ARG  36   5.033   8.459   3.187
   30   2HH1  ARG  36          2HH2      ARG  36   4.680   7.853   4.771
   31   1HH2  ARG  36          1HH1      ARG  36   1.930   6.009   3.740
   32   2HH2  ARG  36          2HH1      ARG  36   2.923   6.465   5.085
   33    H    ILE  37           H        ILE  37  -0.133  11.919   0.064
   34    HA   ILE  37           HA       ILE  37  -1.822   9.761   0.691
   35    HB   ILE  37           HB       ILE  37  -2.225  12.111  -1.196
   36   1HG1  ILE  37          2HG1      ILE  37  -2.909  11.784   1.742
   37   2HG1  ILE  37          1HG1      ILE  37  -1.506  12.664   1.136
   38   1HG2  ILE  37          1HG2      ILE  37  -4.539  11.114   0.300
   39   2HG2  ILE  37          2HG2      ILE  37  -3.905   9.932  -0.846
   40   3HG2  ILE  37          3HG2      ILE  37  -4.402  11.528  -1.409
   41   1HD1  ILE  37          1HD1      ILE  37  -4.059  13.718   1.545
   42   2HD1  ILE  37          2HD1      ILE  37  -3.961  13.491  -0.202
   43   3HD1  ILE  37          3HD1      ILE  37  -2.756  14.475   0.628
   44    H    TRP  38           H        TRP  38  -0.058  10.427  -2.227
   45    HA   TRP  38           HA       TRP  38  -1.615   8.793  -4.038
   46   1HB   TRP  38          2HB       TRP  38   0.017  10.597  -4.640
   47   2HB   TRP  38          1HB       TRP  38   1.324   9.557  -4.074
   48    HD1  TRP  38           HD       TRP  38   2.255   7.839  -5.724
   49    HE1  TRP  38           1HE      TRP  38   1.589   7.020  -8.076
   50    HE3  TRP  38           3HE      TRP  38  -2.250  10.190  -6.236
   51    HZ2  TRP  38           2HZ      TRP  38  -0.567   7.323  -9.930
   52    HZ3  TRP  38           3HZ      TRP  38  -3.586   9.908  -8.303
   53    HH2  TRP  38           HH       TRP  38  -2.752   8.478 -10.150
   54    H    LEU  39           H        LEU  39   1.143   8.185  -1.873
   55    HA   LEU  39           HA       LEU  39   1.700   5.507  -2.788
   56   1HB   LEU  39          2HB       LEU  39   2.139   6.832  -0.094
   57   2HB   LEU  39          1HB       LEU  39   3.011   5.430  -0.712
   58    HG   LEU  39           HG       LEU  39   3.042   8.239  -1.851
   59   1HD1  LEU  39          1HD1      LEU  39   4.595   6.954   0.131
   60   2HD1  LEU  39          2HD1      LEU  39   4.932   8.498  -0.651
   61   3HD1  LEU  39          3HD1      LEU  39   5.601   7.008  -1.317
   62   1HD2  LEU  39          1HD2      LEU  39   4.831   7.102  -3.366
   63   2HD2  LEU  39          2HD2      LEU  39   3.129   6.872  -3.764
   64   3HD2  LEU  39          3HD2      LEU  39   4.018   5.600  -2.927
   65    H    HIS  40           H        HIS  40  -0.550   6.873  -0.443
   66    HA   HIS  40           HA       HIS  40  -1.253   4.494   0.964
   67   1HB   HIS  40          2HB       HIS  40  -1.811   6.850   1.575
   68   2HB   HIS  40          1HB       HIS  40  -2.945   6.906   0.226
   69    HD1  HIS  40           1HD      HIS  40  -2.323   4.689   3.282
   70    HD2  HIS  40           2HD      HIS  40  -5.482   6.127   0.973
   71    HE1  HIS  40           1HE      HIS  40  -4.450   3.866   4.385
   72    H    ASN  41           H        ASN  41  -2.395   5.852  -2.100
   73    HA   ASN  41           HA       ASN  41  -4.637   4.154  -2.545
   74   1HB   ASN  41          2HB       ASN  41  -3.876   6.233  -3.795
   75   2HB   ASN  41          1HB       ASN  41  -2.673   5.222  -4.594
   76   1HD2  ASN  41          1HD2      ASN  41  -3.389   4.461  -6.584
   77   2HD2  ASN  41          2HD2      ASN  41  -5.005   4.124  -6.980
   78    H    LEU  42           H        LEU  42  -1.172   3.641  -3.010
   79    HA   LEU  42           HA       LEU  42  -1.275   1.281  -4.618
   80   1HB   LEU  42          2HB       LEU  42   0.716   2.703  -4.143
   81   2HB   LEU  42          1HB       LEU  42   0.700   2.134  -2.473
   82    HG   LEU  42           HG       LEU  42   0.785  -0.246  -3.525
   83   1HD1  LEU  42          1HD1      LEU  42   1.525  -0.455  -5.735
   84   2HD1  LEU  42          2HD1      LEU  42   2.146   1.195  -5.786
   85   3HD1  LEU  42          3HD1      LEU  42   0.408   0.904  -5.857
   86   1HD2  LEU  42          1HD2      LEU  42   2.942  -0.189  -2.850
   87   2HD2  LEU  42          2HD2      LEU  42   2.720   1.545  -2.610
   88   3HD2  LEU  42          3HD2      LEU  42   3.381   0.941  -4.130
   89    H    GLY  43           H        GLY  43  -1.560   1.793  -1.123
   90   1HA   GLY  43          1HA       GLY  43  -1.273  -0.873  -0.230
   91   2HA   GLY  43          2HA       GLY  43  -2.281   0.334   0.570
   92    H    GLN  44           H        GLN  44  -3.872   0.668  -1.975
   93    HA   GLN  44           HA       GLN  44  -6.026  -1.097  -1.399
   94   1HB   GLN  44          2HB       GLN  44  -5.229   0.377  -3.933
   95   2HB   GLN  44          1HB       GLN  44  -6.827  -0.305  -3.637
   96   1HG   GLN  44          2HG       GLN  44  -5.467   1.833  -1.967
   97   2HG   GLN  44          1HG       GLN  44  -6.813   2.087  -3.078
   98   1HE2  GLN  44          1HE2      GLN  44  -6.324   1.980   0.120
   99   2HE2  GLN  44          2HE2      GLN  44  -7.740   1.203   0.643
  100    H    HIS  45           H        HIS  45  -3.238  -1.437  -3.551
  101    HA   HIS  45           HA       HIS  45  -4.090  -3.653  -5.108
  102   1HB   HIS  45          2HB       HIS  45  -1.368  -2.888  -4.001
  103   2HB   HIS  45          1HB       HIS  45  -1.625  -4.032  -5.319
  104    HD1  HIS  45           1HD      HIS  45  -3.486  -2.783  -7.191
  105    HD2  HIS  45           2HD      HIS  45  -0.736  -0.448  -5.101
  106    HE1  HIS  45           1HE      HIS  45  -3.235  -0.629  -8.500
  107    H    ILE  46           H        ILE  46  -2.718  -3.486  -1.840
  108    HA   ILE  46           HA       ILE  46  -2.310  -6.300  -1.449
  109    HB   ILE  46           HB       ILE  46  -2.968  -4.061   0.494
  110   1HG1  ILE  46          1HG1      ILE  46  -0.277  -5.155  -0.373
  111   2HG1  ILE  46          2HG1      ILE  46  -0.991  -3.673  -1.008
  112   1HG2  ILE  46          1HG2      ILE  46  -2.493  -6.897   0.849
  113   2HG2  ILE  46          2HG2      ILE  46  -2.929  -5.685   2.054
  114   3HG2  ILE  46          3HG2      ILE  46  -1.234  -5.955   1.647
  115   1HD1  ILE  46          1HD1      ILE  46  -0.645  -2.510   0.943
  116   2HD1  ILE  46          2HD1      ILE  46   0.661  -3.682   1.120
  117   3HD1  ILE  46          3HD1      ILE  46  -0.871  -3.937   1.956
  118    H    TYR  47           H        TYR  47  -5.081  -4.164  -0.905
  119    HA   TYR  47           HA       TYR  47  -6.772  -6.122   0.376
  120   1HB   TYR  47          2HB       TYR  47  -7.260  -3.548  -1.155
  121   2HB   TYR  47          1HB       TYR  47  -8.531  -4.414  -0.291
  122    HD1  TYR  47           1HD      TYR  47  -5.615  -2.253   0.012
  123    HD2  TYR  47           2HD      TYR  47  -8.368  -4.727   2.190
  124    HE1  TYR  47           1HE      TYR  47  -4.899  -1.182   2.130
  125    HE2  TYR  47           2HE      TYR  47  -7.652  -3.656   4.309
  126    HH   TYR  47           HH       TYR  47  -4.902  -1.964   4.674
  127    H    GLU  48           H        GLU  48  -6.059  -5.303  -2.965
  128    HA   GLU  48           HA       GLU  48  -8.287  -6.559  -4.242
  129   1HB   GLU  48          2HB       GLU  48  -6.644  -4.987  -5.262
  130   2HB   GLU  48          1HB       GLU  48  -5.409  -6.242  -5.158
  131   1HG   GLU  48          2HG       GLU  48  -6.878  -7.719  -6.559
  132   2HG   GLU  48          1HG       GLU  48  -7.983  -6.358  -6.758
  133    H    THR  49           H        THR  49  -5.339  -7.861  -2.840
  134    HA   THR  49           HA       THR  49  -5.252 -10.393  -4.151
  135    HB   THR  49           HB       THR  49  -4.522  -9.648  -1.299
  136    HG1  THR  49           1HG      THR  49  -2.431  -9.343  -2.388
  137   1HG2  THR  49          1HG2      THR  49  -4.194 -11.933  -1.347
  138   2HG2  THR  49          2HG2      THR  49  -2.653 -11.404  -2.022
  139   3HG2  THR  49          3HG2      THR  49  -3.938 -11.966  -3.092
  140    H    TYR  50           H        TYR  50  -7.119  -9.258  -1.352
  141    HA   TYR  50           HA       TYR  50  -8.116 -11.830  -0.530
  142   1HB   TYR  50          2HB       TYR  50  -9.188  -9.003  -0.257
  143   2HB   TYR  50          1HB       TYR  50  -9.792 -10.388   0.653
  144    HD1  TYR  50           1HD      TYR  50  -8.355 -11.531   2.313
  145    HD2  TYR  50           2HD      TYR  50  -7.045  -7.999   0.247
  146    HE1  TYR  50           1HE      TYR  50  -6.533 -11.237   3.969
  147    HE2  TYR  50           2HE      TYR  50  -5.223  -7.706   1.904
  148    HH   TYR  50           HH       TYR  50  -4.267 -10.118   4.030
  149    H    GLY  51           H        GLY  51  -9.159  -9.489  -2.962
  150   1HA   GLY  51          1HA       GLY  51 -10.997  -9.526  -4.440
  151   2HA   GLY  51          2HA       GLY  51 -10.539 -11.220  -4.620
  152   1HN   NH2  52          1H        GLY  51 -11.794  -9.722  -1.627
  153   2HN   NH2  52          2H        GLY  51 -13.224 -10.636  -1.576
  Start of MODEL   17
    1   1H    ACE  33          1H        ACE  33   2.953  13.500   4.516
    2   2H    ACE  33          2H        ACE  33   3.095  15.257   4.454
    3   3H    ACE  33          3H        ACE  33   4.036  14.257   3.347
    4    H    PHE  34           H        PHE  34   2.062  16.384   2.725
    5    HA   PHE  34           HA       PHE  34  -0.452  15.500   1.876
    6   1HB   PHE  34          2HB       PHE  34   1.541  17.547   1.100
    7   2HB   PHE  34          1HB       PHE  34   0.310  17.197  -0.113
    8    HD1  PHE  34           1HD      PHE  34   0.703  17.948   3.537
    9    HD2  PHE  34           2HD      PHE  34  -1.817  18.166   0.065
   10    HE1  PHE  34           1HE      PHE  34  -0.940  19.297   4.814
   11    HE2  PHE  34           2HE      PHE  34  -3.460  19.515   1.342
   12    HZ   PHE  34           HZ       PHE  34  -3.021  20.081   3.717
   13    HA   PRO  35           HA       PRO  35   1.473  14.000  -2.208
   14   1HB   PRO  35          2HB       PRO  35   4.158  13.494  -2.289
   15   2HB   PRO  35          1HB       PRO  35   3.450  15.059  -2.736
   16   1HG   PRO  35          2HG       PRO  35   4.766  14.223  -0.196
   17   2HG   PRO  35          1HG       PRO  35   4.893  15.751  -1.079
   18   1HD   PRO  35          2HD       PRO  35   3.348  15.426   1.132
   19   2HD   PRO  35          1HD       PRO  35   2.967  16.587  -0.156
   20    H    ARG  36           H        ARG  36   2.462  12.875   0.919
   21    HA   ARG  36           HA       ARG  36   3.260  10.199   0.228
   22   1HB   ARG  36          2HB       ARG  36   3.723  11.224   2.393
   23   2HB   ARG  36          1HB       ARG  36   1.999  11.411   2.708
   24   1HG   ARG  36          2HG       ARG  36   3.166   9.394   3.805
   25   2HG   ARG  36          1HG       ARG  36   1.668   9.075   2.933
   26   1HD   ARG  36          2HD       ARG  36   2.973   8.370   0.943
   27   2HD   ARG  36          1HD       ARG  36   4.479   8.680   1.831
   28    HE   ARG  36           HE       ARG  36   2.797   6.361   2.175
   29   1HH1  ARG  36          1HH2      ARG  36   5.719   7.312   3.097
   30   2HH1  ARG  36          2HH2      ARG  36   5.603   6.889   4.773
   31   1HH2  ARG  36          1HH1      ARG  36   2.170   6.404   4.685
   32   2HH2  ARG  36          2HH1      ARG  36   3.593   6.375   5.673
   33    H    ILE  37           H        ILE  37   0.114  11.738   0.669
   34    HA   ILE  37           HA       ILE  37  -1.584   9.537   1.055
   35    HB   ILE  37           HB       ILE  37  -2.083  12.048   0.857
   36   1HG1  ILE  37          2HG1      ILE  37  -3.954  10.336  -0.785
   37   2HG1  ILE  37          1HG1      ILE  37  -3.781  10.114   0.956
   38   1HG2  ILE  37          1HG2      ILE  37  -2.140  13.075  -1.184
   39   2HG2  ILE  37          2HG2      ILE  37  -2.747  11.636  -2.002
   40   3HG2  ILE  37          3HG2      ILE  37  -1.027  11.786  -1.639
   41   1HD1  ILE  37          1HD1      ILE  37  -4.216  12.647   1.142
   42   2HD1  ILE  37          2HD1      ILE  37  -5.594  11.628   0.728
   43   3HD1  ILE  37          3HD1      ILE  37  -4.770  12.551  -0.529
   44    H    TRP  38           H        TRP  38   0.334  10.400  -1.714
   45    HA   TRP  38           HA       TRP  38  -1.059   8.910  -3.741
   46   1HB   TRP  38          2HB       TRP  38   1.864   9.656  -3.382
   47   2HB   TRP  38          1HB       TRP  38   1.145   9.108  -4.896
   48    HD1  TRP  38           HD       TRP  38  -1.520  10.989  -3.514
   49    HE1  TRP  38           1HE      TRP  38  -1.535  13.441  -4.310
   50    HE3  TRP  38           3HE      TRP  38   3.232  11.351  -5.352
   51    HZ2  TRP  38           2HZ      TRP  38   0.236  15.311  -5.560
   52    HZ3  TRP  38           3HZ      TRP  38   4.040  13.475  -6.338
   53    HH2  TRP  38           HH       TRP  38   2.551  15.454  -6.444
   54    H    LEU  39           H        LEU  39   1.439   8.038  -1.360
   55    HA   LEU  39           HA       LEU  39   1.977   5.401  -2.403
   56   1HB   LEU  39          2HB       LEU  39   2.215   6.590   0.382
   57   2HB   LEU  39          1HB       LEU  39   3.021   5.120  -0.168
   58    HG   LEU  39           HG       LEU  39   3.429   7.930  -1.230
   59   1HD1  LEU  39          1HD1      LEU  39   5.188   7.983   0.176
   60   2HD1  LEU  39          2HD1      LEU  39   5.802   6.471  -0.492
   61   3HD1  LEU  39          3HD1      LEU  39   4.657   6.442   0.848
   62   1HD2  LEU  39          1HD2      LEU  39   5.135   6.818  -2.710
   63   2HD2  LEU  39          2HD2      LEU  39   3.469   6.398  -3.109
   64   3HD2  LEU  39          3HD2      LEU  39   4.475   5.259  -2.214
   65    H    HIS  40           H        HIS  40  -0.476   6.730  -0.265
   66    HA   HIS  40           HA       HIS  40  -1.401   4.317   0.948
   67   1HB   HIS  40          2HB       HIS  40  -1.963   6.637   1.626
   68   2HB   HIS  40          1HB       HIS  40  -2.895   6.835   0.142
   69    HD1  HIS  40           1HD      HIS  40  -2.804   4.421   3.106
   70    HD2  HIS  40           2HD      HIS  40  -5.541   6.136   0.472
   71    HE1  HIS  40           1HE      HIS  40  -5.096   3.633   3.841
   72    H    ASN  41           H        ASN  41  -2.109   5.803  -2.185
   73    HA   ASN  41           HA       ASN  41  -4.383   4.324  -2.969
   74   1HB   ASN  41          2HB       ASN  41  -3.174   6.251  -4.119
   75   2HB   ASN  41          1HB       ASN  41  -2.022   5.059  -4.720
   76   1HD2  ASN  41          1HD2      ASN  41  -3.298   6.248  -6.757
   77   2HD2  ASN  41          2HD2      ASN  41  -4.562   5.301  -7.380
   78    H    LEU  42           H        LEU  42  -0.952   3.408  -3.012
   79    HA   LEU  42           HA       LEU  42  -1.160   1.006  -4.528
   80   1HB   LEU  42          2HB       LEU  42   0.920   2.206  -3.856
   81   2HB   LEU  42          1HB       LEU  42   0.650   1.696  -2.189
   82    HG   LEU  42           HG       LEU  42   0.620  -0.703  -3.082
   83   1HD1  LEU  42          1HD1      LEU  42   0.364  -0.564  -5.389
   84   2HD1  LEU  42          2HD1      LEU  42   2.116  -0.737  -5.267
   85   3HD1  LEU  42          3HD1      LEU  42   1.402   0.855  -5.522
   86   1HD2  LEU  42          1HD2      LEU  42   2.902  -0.895  -2.701
   87   2HD2  LEU  42          2HD2      LEU  42   2.605   0.707  -2.027
   88   3HD2  LEU  42          3HD2      LEU  42   3.285   0.545  -3.646
   89    H    GLY  43           H        GLY  43  -1.808   1.685  -1.114
   90   1HA   GLY  43          1HA       GLY  43  -1.919  -0.959  -0.117
   91   2HA   GLY  43          2HA       GLY  43  -2.872   0.380   0.521
   92    H    GLN  44           H        GLN  44  -4.208   0.834  -2.090
   93    HA   GLN  44           HA       GLN  44  -6.516  -0.811  -1.733
   94   1HB   GLN  44          2HB       GLN  44  -6.336   1.436  -2.851
   95   2HB   GLN  44          1HB       GLN  44  -5.556   0.643  -4.219
   96   1HG   GLN  44          2HG       GLN  44  -7.579  -0.833  -4.432
   97   2HG   GLN  44          1HG       GLN  44  -8.358   0.133  -3.178
   98   1HE2  GLN  44          1HE2      GLN  44  -9.586   1.845  -3.976
   99   2HE2  GLN  44          2HE2      GLN  44  -9.349   2.603  -5.476
  100    H    HIS  45           H        HIS  45  -3.715  -1.110  -3.913
  101    HA   HIS  45           HA       HIS  45  -4.671  -3.273  -5.508
  102   1HB   HIS  45          2HB       HIS  45  -2.677  -1.861  -5.954
  103   2HB   HIS  45          1HB       HIS  45  -1.861  -2.593  -4.573
  104    HD1  HIS  45           1HD      HIS  45  -0.925  -4.964  -4.857
  105    HD2  HIS  45           2HD      HIS  45  -3.039  -3.639  -8.196
  106    HE1  HIS  45           1HE      HIS  45  -0.484  -6.646  -6.698
  107    H    ILE  46           H        ILE  46  -3.025  -3.211  -2.358
  108    HA   ILE  46           HA       ILE  46  -2.585  -6.035  -2.102
  109    HB   ILE  46           HB       ILE  46  -3.022  -3.810  -0.084
  110   1HG1  ILE  46          2HG1      ILE  46  -0.455  -5.061  -1.102
  111   2HG1  ILE  46          1HG1      ILE  46  -1.123  -3.549  -1.716
  112   1HG2  ILE  46          1HG2      ILE  46  -3.156  -5.574   1.356
  113   2HG2  ILE  46          2HG2      ILE  46  -1.406  -5.620   1.146
  114   3HG2  ILE  46          3HG2      ILE  46  -2.437  -6.699   0.205
  115   1HD1  ILE  46          1HD1      ILE  46  -0.053  -2.488  -0.038
  116   2HD1  ILE  46          2HD1      ILE  46   0.404  -4.020   0.705
  117   3HD1  ILE  46          3HD1      ILE  46  -1.153  -3.287   1.085
  118    H    TYR  47           H        TYR  47  -5.338  -3.948  -1.379
  119    HA   TYR  47           HA       TYR  47  -6.899  -5.753   0.178
  120   1HB   TYR  47          2HB       TYR  47  -7.273  -3.312  -0.138
  121   2HB   TYR  47          1HB       TYR  47  -7.743  -3.620  -1.810
  122    HD1  TYR  47           1HD      TYR  47  -8.688  -4.081   1.734
  123    HD2  TYR  47           2HD      TYR  47  -9.870  -4.644  -2.357
  124    HE1  TYR  47           1HE      TYR  47 -11.003  -4.581   2.472
  125    HE2  TYR  47           2HE      TYR  47 -12.184  -5.143  -1.620
  126    HH   TYR  47           HH       TYR  47 -13.486  -5.607   0.158
  127    H    GLU  48           H        GLU  48  -6.363  -5.533  -3.292
  128    HA   GLU  48           HA       GLU  48  -8.609  -7.186  -4.085
  129   1HB   GLU  48          2HB       GLU  48  -5.975  -6.450  -5.400
  130   2HB   GLU  48          1HB       GLU  48  -7.308  -7.247  -6.234
  131   1HG   GLU  48          2HG       GLU  48  -8.785  -5.337  -5.669
  132   2HG   GLU  48          1HG       GLU  48  -7.428  -4.535  -4.879
  133    H    THR  49           H        THR  49  -5.324  -7.842  -3.020
  134    HA   THR  49           HA       THR  49  -5.065 -10.519  -4.008
  135    HB   THR  49           HB       THR  49  -3.241 -10.613  -2.399
  136    HG1  THR  49           1HG      THR  49  -3.822  -9.841  -0.529
  137   1HG2  THR  49          1HG2      THR  49  -3.287  -7.697  -3.046
  138   2HG2  THR  49          2HG2      THR  49  -3.359  -8.844  -4.385
  139   3HG2  THR  49          3HG2      THR  49  -1.994  -8.876  -3.269
  140    H    TYR  50           H        TYR  50  -6.589  -9.185  -1.101
  141    HA   TYR  50           HA       TYR  50  -6.927 -11.628   0.350
  142   1HB   TYR  50          1HB       TYR  50  -8.552  -9.068   0.227
  143   2HB   TYR  50          2HB       TYR  50  -8.709 -10.287   1.490
  144    HD1  TYR  50           1HD      TYR  50  -6.622  -7.608   0.112
  145    HD2  TYR  50           2HD      TYR  50  -6.865 -10.703   3.080
  146    HE1  TYR  50           1HE      TYR  50  -4.708  -6.599   1.322
  147    HE2  TYR  50           2HE      TYR  50  -4.950  -9.694   4.290
  148    HH   TYR  50           HH       TYR  50  -2.987  -8.208   3.709
  149    H    GLY  51           H        GLY  51  -8.803 -10.132  -2.253
  150   1HA   GLY  51          1HA       GLY  51 -10.481 -12.605  -2.328
  151   2HA   GLY  51          2HA       GLY  51 -11.208 -11.012  -2.537
  152   1HN   NH2  52          1H        GLY  51 -10.762  -9.856  -4.549
  153   2HN   NH2  52          2H        GLY  51 -10.113 -10.653  -5.899
  Start of MODEL   18
    1   1H    ACE  33          1H        ACE  33  -3.251  17.656   2.569
    2   2H    ACE  33          2H        ACE  33  -3.584  15.925   2.537
    3   3H    ACE  33          3H        ACE  33  -3.697  16.872   1.053
    4    H    PHE  34           H        PHE  34  -1.491  15.387   3.345
    5    HA   PHE  34           HA       PHE  34   0.974  16.341   2.220
    6   1HB   PHE  34          2HB       PHE  34   0.069  14.016   3.906
    7   2HB   PHE  34          1HB       PHE  34   1.744  14.109   3.363
    8    HD1  PHE  34           1HD      PHE  34   3.086  16.210   3.888
    9    HD2  PHE  34           2HD      PHE  34  -0.713  15.356   5.700
   10    HE1  PHE  34           1HE      PHE  34   3.577  17.844   5.688
   11    HE2  PHE  34           2HE      PHE  34  -0.223  16.989   7.500
   12    HZ   PHE  34           HZ       PHE  34   1.923  18.233   7.493
   13    HA   PRO  35           HA       PRO  35   1.168  14.156  -1.572
   14   1HB   PRO  35          2HB       PRO  35   3.839  13.589  -1.720
   15   2HB   PRO  35          1HB       PRO  35   3.177  15.205  -2.030
   16   1HG   PRO  35          2HG       PRO  35   4.492  14.126   0.417
   17   2HG   PRO  35          1HG       PRO  35   4.647  15.720  -0.334
   18   1HD   PRO  35          2HD       PRO  35   3.109  15.235   1.862
   19   2HD   PRO  35          1HD       PRO  35   2.763  16.524   0.692
   20    H    ARG  36           H        ARG  36   2.186  12.792   1.450
   21    HA   ARG  36           HA       ARG  36   2.926  10.159   0.592
   22   1HB   ARG  36          2HB       ARG  36   3.380  11.088   2.818
   23   2HB   ARG  36          1HB       ARG  36   1.650  11.183   3.149
   24   1HG   ARG  36          2HG       ARG  36   2.950   9.138   4.077
   25   2HG   ARG  36          1HG       ARG  36   1.420   8.835   3.254
   26   1HD   ARG  36          2HD       ARG  36   2.576   8.193   1.210
   27   2HD   ARG  36          1HD       ARG  36   4.138   8.683   1.895
   28    HE   ARG  36           HE       ARG  36   3.996   6.812   3.446
   29   1HH1  ARG  36          1HH2      ARG  36   0.888   6.920   3.430
   30   2HH1  ARG  36          2HH2      ARG  36   0.537   5.381   2.717
   31   1HH2  ARG  36          1HH1      ARG  36   3.769   4.881   1.566
   32   2HH2  ARG  36          2HH1      ARG  36   2.168   4.227   1.661
   33    H    ILE  37           H        ILE  37  -0.210  11.684   1.135
   34    HA   ILE  37           HA       ILE  37  -1.899   9.439   1.365
   35    HB   ILE  37           HB       ILE  37  -2.253  12.038  -0.172
   36   1HG1  ILE  37          2HG1      ILE  37  -3.064  11.311   2.657
   37   2HG1  ILE  37          1HG1      ILE  37  -1.615  12.231   2.251
   38   1HG2  ILE  37          1HG2      ILE  37  -4.721  11.430   0.701
   39   2HG2  ILE  37          2HG2      ILE  37  -4.089   9.793   0.515
   40   3HG2  ILE  37          3HG2      ILE  37  -4.121  10.890  -0.867
   41   1HD1  ILE  37          1HD1      ILE  37  -3.327  13.719   0.888
   42   2HD1  ILE  37          2HD1      ILE  37  -3.131  13.957   2.624
   43   3HD1  ILE  37          3HD1      ILE  37  -4.497  13.026   2.012
   44    H    TRP  38           H        TRP  38   0.021  10.508  -1.317
   45    HA   TRP  38           HA       TRP  38  -1.480   9.172  -3.415
   46   1HB   TRP  38          2HB       TRP  38   1.310  10.303  -3.110
   47   2HB   TRP  38          1HB       TRP  38   0.750   9.581  -4.619
   48    HD1  TRP  38           HD       TRP  38   0.733  12.761  -2.742
   49    HE1  TRP  38           1HE      TRP  38  -0.857  14.460  -3.848
   50    HE3  TRP  38           3HE      TRP  38  -1.757   9.674  -5.960
   51    HZ2  TRP  38           2HZ      TRP  38  -2.913  14.506  -5.835
   52    HZ3  TRP  38           3HZ      TRP  38  -3.524  10.571  -7.446
   53    HH2  TRP  38           HH       TRP  38  -4.106  12.981  -7.389
   54    H    LEU  39           H        LEU  39   1.155   8.251  -1.223
   55    HA   LEU  39           HA       LEU  39   1.817   5.786  -2.612
   56   1HB   LEU  39          2HB       LEU  39   2.202   6.624   0.281
   57   2HB   LEU  39          1HB       LEU  39   3.114   5.378  -0.572
   58    HG   LEU  39           HG       LEU  39   3.061   8.334  -1.260
   59   1HD1  LEU  39          1HD1      LEU  39   5.660   7.216  -0.730
   60   2HD1  LEU  39          2HD1      LEU  39   4.588   6.858   0.624
   61   3HD1  LEU  39          3HD1      LEU  39   4.834   8.527   0.112
   62   1HD2  LEU  39          1HD2      LEU  39   4.876   7.643  -2.874
   63   2HD2  LEU  39          2HD2      LEU  39   3.273   7.037  -3.288
   64   3HD2  LEU  39          3HD2      LEU  39   4.454   5.963  -2.537
   65    H    HIS  40           H        HIS  40  -0.526   6.753  -0.184
   66    HA   HIS  40           HA       HIS  40  -1.230   4.189   0.856
   67   1HB   HIS  40          2HB       HIS  40  -1.852   6.424   1.772
   68   2HB   HIS  40          1HB       HIS  40  -2.932   6.661   0.399
   69    HD1  HIS  40           1HD      HIS  40  -2.400   4.106   3.186
   70    HD2  HIS  40           2HD      HIS  40  -5.476   5.678   0.853
   71    HE1  HIS  40           1HE      HIS  40  -4.546   3.064   4.035
   72    H    ASN  41           H        ASN  41  -2.196   5.896  -2.081
   73    HA   ASN  41           HA       ASN  41  -4.466   4.392  -2.846
   74   1HB   ASN  41          1HB       ASN  41  -2.204   5.613  -4.461
   75   2HB   ASN  41          2HB       ASN  41  -3.742   5.091  -5.151
   76   1HD2  ASN  41          1HD2      ASN  41  -2.911   7.841  -5.252
   77   2HD2  ASN  41          2HD2      ASN  41  -3.957   8.748  -4.271
   78    H    LEU  42           H        LEU  42  -1.024   3.618  -3.065
   79    HA   LEU  42           HA       LEU  42  -1.287   1.327  -4.797
   80   1HB   LEU  42          2HB       LEU  42   0.760   2.333  -2.812
   81   2HB   LEU  42          1HB       LEU  42   1.016   0.855  -3.740
   82    HG   LEU  42           HG       LEU  42   0.443   2.303  -5.812
   83   1HD1  LEU  42          1HD2      LEU  42  -0.405   4.301  -4.930
   84   2HD1  LEU  42          2HD2      LEU  42   1.266   4.736  -5.289
   85   3HD1  LEU  42          3HD2      LEU  42   0.792   4.350  -3.635
   86   1HD2  LEU  42          1HD1      LEU  42   2.826   1.666  -4.518
   87   2HD2  LEU  42          2HD1      LEU  42   2.968   3.397  -4.831
   88   3HD2  LEU  42          3HD1      LEU  42   2.675   2.281  -6.165
   89    H    GLY  43           H        GLY  43  -1.565   1.798  -1.310
   90   1HA   GLY  43          1HA       GLY  43  -1.317  -0.902  -0.467
   91   2HA   GLY  43          2HA       GLY  43  -2.277   0.319   0.371
   92    H    GLN  44           H        GLN  44  -3.771   0.661  -2.317
   93    HA   GLN  44           HA       GLN  44  -6.027  -0.994  -1.691
   94   1HB   GLN  44          1HB       GLN  44  -5.155   0.519  -4.174
   95   2HB   GLN  44          2HB       GLN  44  -6.761  -0.182  -3.973
   96   1HG   GLN  44          2HG       GLN  44  -7.093   1.178  -1.933
   97   2HG   GLN  44          1HG       GLN  44  -5.494   1.888  -2.151
   98   1HE2  GLN  44          1HE2      GLN  44  -7.816   3.541  -2.158
   99   2HE2  GLN  44          2HE2      GLN  44  -8.044   4.155  -3.724
  100    H    HIS  45           H        HIS  45  -3.267  -1.439  -3.877
  101    HA   HIS  45           HA       HIS  45  -4.227  -3.604  -5.438
  102   1HB   HIS  45          2HB       HIS  45  -1.479  -2.928  -4.339
  103   2HB   HIS  45          1HB       HIS  45  -1.760  -4.134  -5.595
  104    HD1  HIS  45           1HD      HIS  45  -1.454  -0.500  -5.041
  105    HD2  HIS  45           2HD      HIS  45  -2.863  -3.000  -8.063
  106    HE1  HIS  45           1HE      HIS  45  -1.682   0.940  -7.112
  107    H    ILE  46           H        ILE  46  -2.953  -3.516  -2.142
  108    HA   ILE  46           HA       ILE  46  -2.662  -6.369  -1.801
  109    HB   ILE  46           HB       ILE  46  -3.093  -4.063   0.124
  110   1HG1  ILE  46          2HG1      ILE  46  -0.556  -5.519  -0.677
  111   2HG1  ILE  46          1HG1      ILE  46  -1.065  -3.974  -1.359
  112   1HG2  ILE  46          1HG2      ILE  46  -3.218  -5.601   1.758
  113   2HG2  ILE  46          2HG2      ILE  46  -1.623  -6.194   1.295
  114   3HG2  ILE  46          3HG2      ILE  46  -3.070  -6.900   0.575
  115   1HD1  ILE  46          1HD1      ILE  46   0.529  -3.626   0.489
  116   2HD1  ILE  46          2HD1      ILE  46  -0.532  -4.520   1.577
  117   3HD1  ILE  46          3HD1      ILE  46  -1.057  -2.977   0.904
  118    H    TYR  47           H        TYR  47  -5.318  -4.091  -1.324
  119    HA   TYR  47           HA       TYR  47  -7.095  -5.762   0.147
  120   1HB   TYR  47          2HB       TYR  47  -7.298  -3.313  -0.227
  121   2HB   TYR  47          1HB       TYR  47  -7.663  -3.618  -1.925
  122    HD1  TYR  47           1HD      TYR  47  -8.888  -3.964   1.543
  123    HD2  TYR  47           2HD      TYR  47  -9.807  -4.524  -2.616
  124    HE1  TYR  47           1HE      TYR  47 -11.276  -4.310   2.117
  125    HE2  TYR  47           2HE      TYR  47 -12.195  -4.869  -2.042
  126    HH   TYR  47           HH       TYR  47 -13.732  -4.139  -0.067
  127    H    GLU  48           H        GLU  48  -6.409  -5.551  -3.314
  128    HA   GLU  48           HA       GLU  48  -8.650  -7.139  -4.205
  129   1HB   GLU  48          2HB       GLU  48  -5.922  -6.493  -5.361
  130   2HB   GLU  48          1HB       GLU  48  -7.203  -7.295  -6.270
  131   1HG   GLU  48          2HG       GLU  48  -8.695  -5.353  -5.825
  132   2HG   GLU  48          1HG       GLU  48  -7.364  -4.547  -4.995
  133    H    THR  49           H        THR  49  -5.466  -7.917  -2.944
  134    HA   THR  49           HA       THR  49  -5.245 -10.609  -3.892
  135    HB   THR  49           HB       THR  49  -4.247  -9.348  -1.317
  136    HG1  THR  49           1HG      THR  49  -2.898  -9.521  -3.791
  137   1HG2  THR  49          1HG2      THR  49  -2.464 -10.996  -1.459
  138   2HG2  THR  49          2HG2      THR  49  -3.098 -11.599  -2.990
  139   3HG2  THR  49          3HG2      THR  49  -4.017 -11.829  -1.503
  140    H    TYR  50           H        TYR  50  -6.858  -9.202  -1.057
  141    HA   TYR  50           HA       TYR  50  -7.444 -11.683   0.280
  142   1HB   TYR  50          1HB       TYR  50  -8.810  -8.971   0.284
  143   2HB   TYR  50          2HB       TYR  50  -9.074 -10.233   1.487
  144    HD1  TYR  50           1HD      TYR  50  -7.211 -10.949   2.985
  145    HD2  TYR  50           2HD      TYR  50  -6.822  -7.619   0.299
  146    HE1  TYR  50           1HE      TYR  50  -5.216 -10.171   4.239
  147    HE2  TYR  50           2HE      TYR  50  -4.827  -6.841   1.553
  148    HH   TYR  50           HH       TYR  50  -3.488  -7.199   3.278
  149    H    GLY  51           H        GLY  51  -9.036  -9.889  -2.309
  150   1HA   GLY  51          1HA       GLY  51 -10.476 -12.070  -3.338
  151   2HA   GLY  51          2HA       GLY  51 -11.555 -11.280  -2.188
  152   1HN   NH2  52          1H        GLY  51 -10.733  -8.558  -2.650
  153   2HN   NH2  52          2H        GLY  51 -11.204  -8.124  -4.222
  Start of MODEL   19
    1   1H    ACE  33          1H        ACE  33  -1.825  17.694   1.632
    2   2H    ACE  33          2H        ACE  33  -2.564  16.679   0.393
    3   3H    ACE  33          3H        ACE  33  -2.046  18.317  -0.003
    4    H    PHE  34           H        PHE  34  -0.190  16.040   1.963
    5    HA   PHE  34           HA       PHE  34   2.227  16.458   0.469
    6   1HB   PHE  34          2HB       PHE  34   1.279  14.386   2.465
    7   2HB   PHE  34          1HB       PHE  34   2.936  14.438   1.865
    8    HD1  PHE  34           1HD      PHE  34   4.178  16.723   2.047
    9    HD2  PHE  34           2HD      PHE  34   0.652  15.723   4.288
   10    HE1  PHE  34           1HE      PHE  34   4.716  18.503   3.687
   11    HE2  PHE  34           2HE      PHE  34   1.191  17.503   5.929
   12    HZ   PHE  34           HZ       PHE  34   3.222  18.893   5.629
   13    HA   PRO  35           HA       PRO  35   1.593  13.779  -2.948
   14   1HB   PRO  35          2HB       PRO  35   4.160  12.960  -3.420
   15   2HB   PRO  35          1HB       PRO  35   3.558  14.567  -3.871
   16   1HG   PRO  35          2HG       PRO  35   5.199  13.740  -1.526
   17   2HG   PRO  35          1HG       PRO  35   5.316  15.195  -2.528
   18   1HD   PRO  35          2HD       PRO  35   4.145  15.146  -0.064
   19   2HD   PRO  35          1HD       PRO  35   3.691  16.289  -1.343
   20    H    ARG  36           H        ARG  36   2.936  12.780   0.071
   21    HA   ARG  36           HA       ARG  36   3.410  10.005  -0.441
   22   1HB   ARG  36          2HB       ARG  36   4.183  11.143   1.562
   23   2HB   ARG  36          1HB       ARG  36   2.528  11.538   2.023
   24   1HG   ARG  36          2HG       ARG  36   3.606   9.514   3.193
   25   2HG   ARG  36          1HG       ARG  36   2.005   9.270   2.499
   26   1HD   ARG  36          2HD       ARG  36   3.002   8.238   0.496
   27   2HD   ARG  36          1HD       ARG  36   4.628   8.533   1.143
   28    HE   ARG  36           HE       ARG  36   4.295   6.695   2.596
   29   1HH1  ARG  36          1HH2      ARG  36   1.831   7.974   3.857
   30   2HH1  ARG  36          2HH2      ARG  36   0.635   6.756   3.564
   31   1HH2  ARG  36          1HH1      ARG  36   2.522   5.104   1.169
   32   2HH2  ARG  36          2HH1      ARG  36   1.027   5.130   2.042
   33    H    ILE  37           H        ILE  37   0.450  11.815   0.296
   34    HA   ILE  37           HA       ILE  37  -1.336   9.763   0.975
   35    HB   ILE  37           HB       ILE  37  -1.701  12.150  -0.875
   36   1HG1  ILE  37          2HG1      ILE  37  -2.226  11.852   2.098
   37   2HG1  ILE  37          1HG1      ILE  37  -0.811  12.648   1.409
   38   1HG2  ILE  37          1HG2      ILE  37  -3.520  10.053  -0.055
   39   2HG2  ILE  37          2HG2      ILE  37  -3.807  11.401  -1.155
   40   3HG2  ILE  37          3HG2      ILE  37  -4.055  11.610   0.579
   41   1HD1  ILE  37          1HD1      ILE  37  -1.979  14.539   1.019
   42   2HD1  ILE  37          2HD1      ILE  37  -3.299  13.831   1.951
   43   3HD1  ILE  37          3HD1      ILE  37  -3.257  13.642   0.198
   44    H    TRP  38           H        TRP  38   0.285  10.384  -2.042
   45    HA   TRP  38           HA       TRP  38  -1.453   8.856  -3.772
   46   1HB   TRP  38          2HB       TRP  38   0.226  10.576  -4.463
   47   2HB   TRP  38          1HB       TRP  38   1.514   9.476  -3.971
   48    HD1  TRP  38           HD       TRP  38  -1.465   9.605  -6.423
   49    HE1  TRP  38           1HE      TRP  38  -0.900   8.127  -8.458
   50    HE3  TRP  38           3HE      TRP  38   3.017   7.686  -4.902
   51    HZ2  TRP  38           2HZ      TRP  38   1.178   6.364  -9.326
   52    HZ3  TRP  38           3HZ      TRP  38   4.267   6.111  -6.350
   53    HH2  TRP  38           HH       TRP  38   3.354   5.448  -8.558
   54    H    LEU  39           H        LEU  39   1.394   8.055  -1.780
   55    HA   LEU  39           HA       LEU  39   1.755   5.375  -2.764
   56   1HB   LEU  39          2HB       LEU  39   2.335   6.580  -0.037
   57   2HB   LEU  39          1HB       LEU  39   3.104   5.149  -0.723
   58    HG   LEU  39           HG       LEU  39   3.275   7.981  -1.794
   59   1HD1  LEU  39          1HD1      LEU  39   5.198   8.129  -0.629
   60   2HD1  LEU  39          2HD1      LEU  39   5.767   6.596  -1.288
   61   3HD1  LEU  39          3HD1      LEU  39   4.769   6.614   0.166
   62   1HD2  LEU  39          1HD2      LEU  39   4.461   5.401  -2.865
   63   2HD2  LEU  39          2HD2      LEU  39   4.774   7.014  -3.504
   64   3HD2  LEU  39          3HD2      LEU  39   3.158   6.318  -3.618
   65    H    HIS  40           H        HIS  40  -0.383   6.822  -0.377
   66    HA   HIS  40           HA       HIS  40  -1.217   4.490   1.027
   67   1HB   HIS  40          2HB       HIS  40  -1.691   6.887   1.592
   68   2HB   HIS  40          1HB       HIS  40  -2.813   6.951   0.233
   69    HD1  HIS  40           1HD      HIS  40  -2.284   4.847   3.380
   70    HD2  HIS  40           2HD      HIS  40  -5.376   6.188   0.926
   71    HE1  HIS  40           1HE      HIS  40  -4.442   4.080   4.462
   72    H    ASN  41           H        ASN  41  -2.207   5.849  -2.082
   73    HA   ASN  41           HA       ASN  41  -4.521   4.247  -2.560
   74   1HB   ASN  41          2HB       ASN  41  -3.650   6.287  -3.807
   75   2HB   ASN  41          1HB       ASN  41  -2.469   5.224  -4.570
   76   1HD2  ASN  41          1HD2      ASN  41  -3.959   6.206  -6.486
   77   2HD2  ASN  41          2HD2      ASN  41  -5.243   5.200  -6.954
   78    H    LEU  42           H        LEU  42  -1.068   3.608  -2.941
   79    HA   LEU  42           HA       LEU  42  -1.184   1.255  -4.540
   80   1HB   LEU  42          2HB       LEU  42   0.838   2.578  -3.939
   81   2HB   LEU  42          1HB       LEU  42   0.697   2.009  -2.276
   82    HG   LEU  42           HG       LEU  42   0.769  -0.368  -3.272
   83   1HD1  LEU  42          1HD1      LEU  42   1.026  -0.618  -5.500
   84   2HD1  LEU  42          2HD1      LEU  42   2.372   0.522  -5.528
   85   3HD1  LEU  42          3HD1      LEU  42   0.714   1.110  -5.658
   86   1HD2  LEU  42          1HD2      LEU  42   3.297  -0.222  -3.525
   87   2HD2  LEU  42          2HD2      LEU  42   2.652   0.461  -2.032
   88   3HD2  LEU  42          3HD2      LEU  42   3.132   1.526  -3.353
   89    H    GLY  43           H        GLY  43  -1.660   1.763  -1.067
   90   1HA   GLY  43          1HA       GLY  43  -1.546  -0.926  -0.187
   91   2HA   GLY  43          2HA       GLY  43  -2.522   0.329   0.577
   92    H    GLN  44           H        GLN  44  -3.944   0.744  -2.077
   93    HA   GLN  44           HA       GLN  44  -6.219  -0.913  -1.598
   94   1HB   GLN  44          2HB       GLN  44  -6.091   1.291  -2.814
   95   2HB   GLN  44          1HB       GLN  44  -5.343   0.443  -4.169
   96   1HG   GLN  44          2HG       GLN  44  -7.334  -1.010  -4.353
   97   2HG   GLN  44          1HG       GLN  44  -8.082  -0.152  -3.005
   98   1HE2  GLN  44          1HE2      GLN  44  -9.506  -0.067  -5.357
   99   2HE2  GLN  44          2HE2      GLN  44  -9.366   1.454  -6.098
  100    H    HIS  45           H        HIS  45  -3.415  -1.307  -3.740
  101    HA   HIS  45           HA       HIS  45  -4.332  -3.471  -5.329
  102   1HB   HIS  45          2HB       HIS  45  -1.594  -2.784  -4.207
  103   2HB   HIS  45          1HB       HIS  45  -1.867  -3.936  -5.515
  104    HD1  HIS  45           1HD      HIS  45  -3.728  -2.641  -7.381
  105    HD2  HIS  45           2HD      HIS  45  -0.854  -0.397  -5.360
  106    HE1  HIS  45           1HE      HIS  45  -3.410  -0.513  -8.718
  107    H    ILE  46           H        ILE  46  -2.942  -3.399  -2.067
  108    HA   ILE  46           HA       ILE  46  -2.628  -6.225  -1.702
  109    HB   ILE  46           HB       ILE  46  -3.221  -3.966   0.240
  110   1HG1  ILE  46          2HG1      ILE  46  -0.573  -5.211  -0.551
  111   2HG1  ILE  46          1HG1      ILE  46  -1.192  -3.704  -1.226
  112   1HG2  ILE  46          1HG2      ILE  46  -2.704  -5.386   1.988
  113   2HG2  ILE  46          2HG2      ILE  46  -1.690  -6.423   0.983
  114   3HG2  ILE  46          3HG2      ILE  46  -3.446  -6.544   0.885
  115   1HD1  ILE  46          1HD1      ILE  46  -0.329  -4.291   1.601
  116   2HD1  ILE  46          2HD1      ILE  46  -1.441  -2.966   1.260
  117   3HD1  ILE  46          3HD1      ILE  46   0.172  -2.969   0.546
  118    H    TYR  47           H        TYR  47  -5.363  -4.032  -1.272
  119    HA   TYR  47           HA       TYR  47  -7.130  -5.785   0.122
  120   1HB   TYR  47          2HB       TYR  47  -7.371  -3.322  -0.217
  121   2HB   TYR  47          1HB       TYR  47  -7.726  -3.618  -1.919
  122    HD1  TYR  47           1HD      TYR  47  -9.843  -4.574  -2.623
  123    HD2  TYR  47           2HD      TYR  47  -8.947  -4.027   1.542
  124    HE1  TYR  47           1HE      TYR  47 -12.223  -4.985  -2.057
  125    HE2  TYR  47           2HE      TYR  47 -11.327  -4.437   2.109
  126    HH   TYR  47           HH       TYR  47 -13.390  -4.703   1.289
  127    H    GLU  48           H        GLU  48  -6.352  -5.457  -3.309
  128    HA   GLU  48           HA       GLU  48  -8.516  -7.088  -4.311
  129   1HB   GLU  48          2HB       GLU  48  -5.771  -6.359  -5.382
  130   2HB   GLU  48          1HB       GLU  48  -7.038  -7.121  -6.343
  131   1HG   GLU  48          2HG       GLU  48  -8.534  -5.203  -5.870
  132   2HG   GLU  48          1HG       GLU  48  -7.243  -4.438  -4.943
  133    H    THR  49           H        THR  49  -5.358  -7.786  -2.952
  134    HA   THR  49           HA       THR  49  -4.973 -10.433  -3.955
  135    HB   THR  49           HB       THR  49  -4.198  -9.212  -1.286
  136    HG1  THR  49           1HG      THR  49  -3.414  -7.879  -2.809
  137   1HG2  THR  49          1HG2      THR  49  -3.076 -11.120  -0.920
  138   2HG2  THR  49          2HG2      THR  49  -2.231 -10.936  -2.457
  139   3HG2  THR  49          3HG2      THR  49  -3.771 -11.794  -2.396
  140    H    TYR  50           H        TYR  50  -6.815  -9.190  -1.185
  141    HA   TYR  50           HA       TYR  50  -7.385 -11.709   0.060
  142   1HB   TYR  50          2HB       TYR  50  -8.895  -9.077  -0.045
  143   2HB   TYR  50          1HB       TYR  50  -9.215 -10.367   1.114
  144    HD1  TYR  50           1HD      TYR  50  -6.961  -7.652   0.162
  145    HD2  TYR  50           2HD      TYR  50  -7.505 -10.992   2.806
  146    HE1  TYR  50           1HE      TYR  50  -5.145  -6.795   1.617
  147    HE2  TYR  50           2HE      TYR  50  -5.688 -10.137   4.262
  148    HH   TYR  50           HH       TYR  50  -4.143  -7.011   3.623
  149    H    GLY  51           H        GLY  51  -8.911  -9.953  -2.606
  150   1HA   GLY  51          1HA       GLY  51 -11.172 -11.830  -2.720
  151   2HA   GLY  51          2HA       GLY  51 -10.889 -10.481  -3.820
  152   1HN   NH2  52          1H        GLY  51  -8.741 -13.250  -2.984
  153   2HN   NH2  52          2H        GLY  51  -8.590 -13.809  -4.579
  Start of MODEL   20
    1   1H    ACE  33          1H        ACE  33   1.945  10.538  -8.740
    2   2H    ACE  33          2H        ACE  33   0.956  10.166  -7.328
    3   3H    ACE  33          3H        ACE  33   2.318   9.128  -7.751
    4    H    PHE  34           H        PHE  34   3.029  12.398  -8.265
    5    HA   PHE  34           HA       PHE  34   5.216  12.639  -6.598
    6   1HB   PHE  34          2HB       PHE  34   3.862  14.245  -8.287
    7   2HB   PHE  34          1HB       PHE  34   3.389  14.986  -6.758
    8    HD1  PHE  34           1HD      PHE  34   4.921  16.308  -5.503
    9    HD2  PHE  34           2HD      PHE  34   6.324  13.936  -8.800
   10    HE1  PHE  34           1HE      PHE  34   7.137  17.412  -5.356
   11    HE2  PHE  34           2HE      PHE  34   8.540  15.041  -8.651
   12    HZ   PHE  34           HZ       PHE  34   8.946  16.779  -6.929
   13    HA   PRO  35           HA       PRO  35   2.544  14.427  -3.005
   14   1HB   PRO  35          2HB       PRO  35  -0.106  13.744  -3.016
   15   2HB   PRO  35          1HB       PRO  35   0.504  15.267  -3.690
   16   1HG   PRO  35          2HG       PRO  35  -0.262  12.745  -5.078
   17   2HG   PRO  35          1HG       PRO  35  -0.545  14.425  -5.556
   18   1HD   PRO  35          2HD       PRO  35   1.420  12.877  -6.617
   19   2HD   PRO  35          1HD       PRO  35   1.537  14.642  -6.488
   20    H    ARG  36           H        ARG  36   2.335  13.178  -1.088
   21    HA   ARG  36           HA       ARG  36   3.012  10.399  -1.233
   22   1HB   ARG  36          2HB       ARG  36   3.595  11.811   0.652
   23   2HB   ARG  36          1HB       ARG  36   1.896  12.160   0.969
   24   1HG   ARG  36          2HG       ARG  36   2.978  10.371   2.451
   25   2HG   ARG  36          1HG       ARG  36   1.463   9.921   1.669
   26   1HD   ARG  36          1HD       ARG  36   2.734   8.775  -0.131
   27   2HD   ARG  36          2HD       ARG  36   4.251   9.212   0.678
   28    HE   ARG  36           HE       ARG  36   2.380   7.145   1.560
   29   1HH1  ARG  36          1HH2      ARG  36   5.458   8.302   1.923
   30   2HH1  ARG  36          2HH2      ARG  36   5.587   7.997   3.623
   31   1HH2  ARG  36          1HH1      ARG  36   2.225   7.249   4.016
   32   2HH2  ARG  36          2HH1      ARG  36   3.758   7.400   4.807
   33    H    ILE  37           H        ILE  37  -0.081  12.066  -1.104
   34    HA   ILE  37           HA       ILE  37  -1.805  10.054  -0.154
   35    HB   ILE  37           HB       ILE  37  -2.198  11.972  -2.481
   36   1HG1  ILE  37          2HG1      ILE  37  -1.437  13.243  -0.598
   37   2HG1  ILE  37          1HG1      ILE  37  -3.190  13.419  -0.627
   38   1HG2  ILE  37          1HG2      ILE  37  -4.251  11.043  -2.572
   39   2HG2  ILE  37          2HG2      ILE  37  -4.546  11.713  -0.968
   40   3HG2  ILE  37          3HG2      ILE  37  -3.934  10.068  -1.137
   41   1HD1  ILE  37          1HD1      ILE  37  -3.337  11.516   1.014
   42   2HD1  ILE  37          2HD1      ILE  37  -2.520  12.942   1.654
   43   3HD1  ILE  37          3HD1      ILE  37  -1.578  11.547   1.130
   44    H    TRP  38           H        TRP  38   0.064  10.182  -3.080
   45    HA   TRP  38           HA       TRP  38  -1.475   8.268  -4.621
   46   1HB   TRP  38          2HB       TRP  38   0.164   9.922  -5.524
   47   2HB   TRP  38          1HB       TRP  38   1.464   9.036  -4.726
   48    HD1  TRP  38           HD       TRP  38   2.521   7.133  -6.046
   49    HE1  TRP  38           1HE      TRP  38   1.921   5.823  -8.184
   50    HE3  TRP  38           3HE      TRP  38  -2.121   9.047  -6.983
   51    HZ2  TRP  38           2HZ      TRP  38  -0.240   5.615 -10.046
   52    HZ3  TRP  38           3HZ      TRP  38  -3.426   8.276  -8.944
   53    HH2  TRP  38           HH       TRP  38  -2.492   6.564 -10.476
   54    H    LEU  39           H        LEU  39   1.247   8.040  -2.339
   55    HA   LEU  39           HA       LEU  39   1.812   5.249  -2.749
   56   1HB   LEU  39          2HB       LEU  39   2.140   7.011  -0.297
   57   2HB   LEU  39          1HB       LEU  39   3.017   5.516  -0.619
   58    HG   LEU  39           HG       LEU  39   3.166   8.103  -2.188
   59   1HD1  LEU  39          1HD1      LEU  39   5.676   6.922  -1.433
   60   2HD1  LEU  39          2HD1      LEU  39   4.642   7.033  -0.008
   61   3HD1  LEU  39          3HD1      LEU  39   5.007   8.480  -0.948
   62   1HD2  LEU  39          1HD2      LEU  39   3.991   5.297  -2.861
   63   2HD2  LEU  39          2HD2      LEU  39   4.989   6.642  -3.417
   64   3HD2  LEU  39          3HD2      LEU  39   3.298   6.536  -3.908
   65    H    HIS  40           H        HIS  40  -0.553   6.991  -0.811
   66    HA   HIS  40           HA       HIS  40  -1.347   4.859   0.932
   67   1HB   HIS  40          2HB       HIS  40  -1.874   7.294   1.166
   68   2HB   HIS  40          1HB       HIS  40  -2.955   7.165  -0.221
   69    HD1  HIS  40           1HD      HIS  40  -5.198   5.919   0.115
   70    HD2  HIS  40           2HD      HIS  40  -2.837   6.035   3.549
   71    HE1  HIS  40           1HE      HIS  40  -6.674   5.154   2.025
   72    H    ASN  41           H        ASN  41  -2.267   5.746  -2.359
   73    HA   ASN  41           HA       ASN  41  -4.553   4.058  -2.655
   74   1HB   ASN  41          2HB       ASN  41  -3.713   5.919  -4.153
   75   2HB   ASN  41          1HB       ASN  41  -2.465   4.811  -4.723
   76   1HD2  ASN  41          1HD2      ASN  41  -3.580   5.076  -6.900
   77   2HD2  ASN  41          2HD2      ASN  41  -4.947   4.125  -7.229
   78    H    LEU  42           H        LEU  42  -1.086   3.425  -2.846
   79    HA   LEU  42           HA       LEU  42  -1.106   0.899  -4.145
   80   1HB   LEU  42          2HB       LEU  42   0.646   1.964  -1.903
   81   2HB   LEU  42          1HB       LEU  42   1.070   0.638  -2.985
   82    HG   LEU  42           HG       LEU  42   0.561   3.524  -3.769
   83   1HD1  LEU  42          1HD1      LEU  42   2.792   2.858  -2.718
   84   2HD1  LEU  42          2HD1      LEU  42   2.889   3.584  -4.323
   85   3HD1  LEU  42          3HD1      LEU  42   3.049   1.838  -4.133
   86   1HD2  LEU  42          1HD2      LEU  42  -0.129   2.595  -5.725
   87   2HD2  LEU  42          2HD2      LEU  42   0.512   1.008  -5.301
   88   3HD2  LEU  42          3HD2      LEU  42   1.580   2.238  -5.976
   89    H    GLY  43           H        GLY  43  -1.739   1.787  -0.769
   90   1HA   GLY  43          1HA       GLY  43  -1.653  -0.778   0.412
   91   2HA   GLY  43          2HA       GLY  43  -2.688   0.535   0.976
   92    H    GLN  44           H        GLN  44  -4.173   0.767  -1.515
   93    HA   GLN  44           HA       GLN  44  -6.283  -1.100  -1.034
   94   1HB   GLN  44          2HB       GLN  44  -5.532   0.609  -3.428
   95   2HB   GLN  44          1HB       GLN  44  -7.091  -0.194  -3.241
   96   1HG   GLN  44          2HG       GLN  44  -7.487   1.042  -1.148
   97   2HG   GLN  44          1HG       GLN  44  -5.918   1.830  -1.308
   98   1HE2  GLN  44          1HE2      GLN  44  -8.286   3.401  -1.237
   99   2HE2  GLN  44          2HE2      GLN  44  -8.536   4.090  -2.767
  100    H    HIS  45           H        HIS  45  -3.467  -1.210  -3.169
  101    HA   HIS  45           HA       HIS  45  -4.261  -3.336  -4.889
  102   1HB   HIS  45          2HB       HIS  45  -2.257  -1.839  -5.091
  103   2HB   HIS  45          1HB       HIS  45  -1.518  -2.707  -3.747
  104    HD1  HIS  45           1HD      HIS  45  -3.076  -3.568  -7.129
  105    HD2  HIS  45           2HD      HIS  45  -0.025  -4.864  -4.601
  106    HE1  HIS  45           1HE      HIS  45  -1.897  -5.456  -8.339
  107    H    ILE  46           H        ILE  46  -2.771  -3.360  -1.658
  108    HA   ILE  46           HA       ILE  46  -2.310  -6.173  -1.450
  109    HB   ILE  46           HB       ILE  46  -3.012  -4.082   0.638
  110   1HG1  ILE  46          2HG1      ILE  46  -0.304  -5.049  -0.325
  111   2HG1  ILE  46          1HG1      ILE  46  -1.060  -3.543  -0.841
  112   1HG2  ILE  46          1HG2      ILE  46  -1.396  -5.768   1.933
  113   2HG2  ILE  46          2HG2      ILE  46  -2.069  -6.914   0.774
  114   3HG2  ILE  46          3HG2      ILE  46  -3.138  -6.033   1.866
  115   1HD1  ILE  46          1HD1      ILE  46   0.582  -3.298   1.073
  116   2HD1  ILE  46          2HD1      ILE  46  -0.540  -4.231   2.063
  117   3HD1  ILE  46          3HD1      ILE  46  -1.033  -2.670   1.404
  118    H    TYR  47           H        TYR  47  -5.146  -4.165  -0.794
  119    HA   TYR  47           HA       TYR  47  -6.765  -6.247   0.392
  120   1HB   TYR  47          2HB       TYR  47  -7.383  -3.620  -1.002
  121   2HB   TYR  47          1HB       TYR  47  -8.576  -4.562  -0.109
  122    HD1  TYR  47           1HD      TYR  47  -5.771  -5.307   1.663
  123    HD2  TYR  47           2HD      TYR  47  -8.259  -1.904   0.826
  124    HE1  TYR  47           1HE      TYR  47  -5.028  -4.242   3.776
  125    HE2  TYR  47           2HE      TYR  47  -7.514  -0.841   2.938
  126    HH   TYR  47           HH       TYR  47  -5.184  -1.187   4.447
  127    H    GLU  48           H        GLU  48  -6.105  -5.203  -2.899
  128    HA   GLU  48           HA       GLU  48  -8.316  -6.492  -4.206
  129   1HB   GLU  48          2HB       GLU  48  -5.512  -5.720  -5.064
  130   2HB   GLU  48          1HB       GLU  48  -6.756  -6.268  -6.189
  131   1HG   GLU  48          2HG       GLU  48  -8.226  -4.415  -5.445
  132   2HG   GLU  48          1HG       GLU  48  -6.956  -3.857  -4.355
  133    H    THR  49           H        THR  49  -5.256  -7.675  -2.964
  134    HA   THR  49           HA       THR  49  -4.981 -10.076  -4.469
  135    HB   THR  49           HB       THR  49  -4.337  -9.529  -1.551
  136    HG1  THR  49           1HG      THR  49  -2.217  -9.128  -2.798
  137   1HG2  THR  49          1HG2      THR  49  -3.366 -11.539  -3.581
  138   2HG2  THR  49          2HG2      THR  49  -3.980 -11.834  -1.953
  139   3HG2  THR  49          3HG2      THR  49  -2.392 -11.101  -2.177
  140    H    TYR  50           H        TYR  50  -6.979  -9.294  -1.651
  141    HA   TYR  50           HA       TYR  50  -7.806 -12.005  -1.073
  142   1HB   TYR  50          2HB       TYR  50  -9.035  -9.288  -0.503
  143   2HB   TYR  50          1HB       TYR  50  -9.536 -10.793   0.267
  144    HD1  TYR  50           1HD      TYR  50  -7.102  -8.109   0.231
  145    HD2  TYR  50           2HD      TYR  50  -7.853 -12.096   1.641
  146    HE1  TYR  50           1HE      TYR  50  -5.278  -7.865   1.894
  147    HE2  TYR  50           2HE      TYR  50  -6.029 -11.852   3.303
  148    HH   TYR  50           HH       TYR  50  -4.660  -8.883   4.105
  149    H    GLY  51           H        GLY  51  -8.959  -9.484  -3.255
  150   1HA   GLY  51          1HA       GLY  51 -10.210 -10.129  -5.267
  151   2HA   GLY  51          2HA       GLY  51 -10.937 -11.440  -4.338
  152   1HN   NH2  52          1H        GLY  51 -10.730  -7.833  -4.220
  153   2HN   NH2  52          2H        GLY  51 -12.337  -7.612  -3.719