*HEADER    ANTIBIOTIC                              07-MAR-19   6QXB              
*TITLE     NMR STRUCTURE OF PEPTIDE 7, CHARACTERIZED BY A CIS-4-AMINO-PRO        
*TITLE    2 RESIDUE, WITH A SIGNIFICANT LOWER MIC ON E. COLI                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PHE-VAL-CAP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2;   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PSEUDIS BOLBODACTYLA;                           
*SOURCE   4 ORGANISM_TAXID: 428381                                               
*KEYWDS    PEPTIDE ANTIMICROBIAL, AMPS, TEMPORINS, PROLINE DERIVATIVES,          
*KEYWDS   2 ANTIBIOTIC                                                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    D.BRANCACCIO,A.CAROTENUTO,F.MERLINO,P.GRIECO,E.NOVELLINO              
*REVDAT   1   29-MAY-19 6QXB    0                                                
# Restraints file 1: temp_peptide7.upl
  1 PHE  HA      1 PHE  QD      5.52 
  1 PHE  HA      2 VAL  HN      2.99 
  1 PHE  QB      2 VAL  HN      4.68 
  1 PHE  QD      2 VAL  HA      7.63 
  1 PHE  QD      2 VAL  QQG     8.92 
  2 VAL  HN      2 VAL  HB      3.36 
  2 VAL  HN      2 VAL  QQG     5.77 
  2 VAL  HA      2 VAL  HB      2.96 
  2 VAL  HA      4 TRP  HN      4.11 
  2 VAL  QQG     4 TRP  HE1     7.23 
  3 CAP  HA      4 TRP  HN      3.11 
  3 CAP  HA      4 TRP  HD1     4.51 
  3 CAP  QB      4 TRP  HN      4.62 
  4 TRP  HN      4 TRP  HB2     3.45 
  4 TRP  HN      4 TRP  HB3     3.45 
  4 TRP  HN      4 TRP  QB      2.99 
  4 TRP  HN      4 TRP  HD1     3.30 
  4 TRP  HA      4 TRP  HB2     3.02 
  4 TRP  HA      4 TRP  HB3     3.02 
  4 TRP  HA      4 TRP  QB      2.63 
  4 TRP  HA      4 TRP  HD1     3.73 
  4 TRP  HA      5 PHE  HN      3.24 
  4 TRP  HA      7 LYS  HN      4.07 
  4 TRP  HA      7 LYS  QB      4.80 
  4 TRP  HB2     4 TRP  HD1     3.79 
  4 TRP  HB3     4 TRP  HD1     3.79 
  4 TRP  QB      4 TRP  HD1     3.24 
  4 TRP  QB      5 PHE  QD      7.20 
  4 TRP  HZ3     5 PHE  HA      4.51 
  5 PHE  HN      5 PHE  HB2     3.79 
  5 PHE  HN      5 PHE  HB3     3.79 
  5 PHE  HN      5 PHE  QD      6.54 
  5 PHE  HN      6 SER  HN      3.58 
  5 PHE  HA      5 PHE  QD      6.36 
  5 PHE  HA      5 PHE  QE      6.49 
  5 PHE  HA      6 SER  HN      3.42 
  5 PHE  HA      8 PHE  QB      5.17 
  5 PHE  QB      6 SER  HN      3.53 
  5 PHE  QD      9 LEU  QQD     9.11 
  6 SER  HN      6 SER  HA      2.77 
  6 SER  HN      7 LYS  HN      3.48 
  6 SER  HN      7 LYS  QB      5.08 
  6 SER  HN      8 PHE  HN      3.86 
  6 SER  HA      7 LYS  HN      3.24 
  6 SER  HA      9 LEU  HN      3.61 
  6 SER  HA      9 LEU  HB2     3.39 
  6 SER  HA      9 LEU  HB3     3.39 
  6 SER  HA      9 LEU  QB      2.95 
  7 LYS  HN      7 LYS  QG      4.26 
  7 LYS  HN      7 LYS  QD      6.38 
  7 LYS  HN      8 PHE  HN      3.61 
  7 LYS  HA      7 LYS  QG      3.24 
  7 LYS  HA      7 LYS  QD      5.05 
  7 LYS  HA      8 PHE  HN      3.14 
  7 LYS  QB      7 LYS  QE      7.26 
  7 LYS  QB      8 PHE  HN      4.67 
  8 PHE  HN      8 PHE  QD      7.63 
  8 PHE  HN      9 LEU  HN      3.61 
  8 PHE  HA      8 PHE  QD      5.55 
  8 PHE  HA      9 LEU  HN      3.45 
  8 PHE  HA     11 ARG  HN      3.48 
  8 PHE  QB      9 LEU  HN      4.77 
  8 PHE  QD      9 LEU  HN      7.63 
  8 PHE  QD      9 LEU  QB      5.84 
  8 PHE  QD     12 ILE  QG1     6.41 
  8 PHE  QD     12 ILE  QD1     6.79 
  8 PHE  QE     12 ILE  QD1     7.16 
  9 LEU  HN      9 LEU  HB2     3.30 
  9 LEU  HN      9 LEU  HB3     3.30 
  9 LEU  HN      9 LEU  QB      2.88 
  9 LEU  HN      9 LEU  HG      4.01 
  9 LEU  HN      9 LEU  QQD     6.70 
  9 LEU  HN     10 GLY  HN      3.21 
  9 LEU  HA      9 LEU  HG      3.61 
  9 LEU  HA      9 LEU  QQD     5.37 
  9 LEU  HA     12 ILE  HB      3.48 
  9 LEU  HA     12 ILE  QG2     4.13 
  9 LEU  HA     12 ILE  QG1     4.09 
  9 LEU  HA     12 ILE  QD1     5.03 
  9 LEU  HA     13 LEU  HN      3.58 
  9 LEU  HB2    10 GLY  HN      3.52 
  9 LEU  HB3    10 GLY  HN      3.52 
  9 LEU  QB     10 GLY  HN      3.06 
  9 LEU  HG     10 GLY  HN      4.23 
  9 LEU  QQD    10 GLY  HN      7.19 
 10 GLY  HN     10 GLY  HA2     2.93 
 10 GLY  HN     10 GLY  HA3     2.93 
 10 GLY  HN     11 ARG  HN      3.27 
 10 GLY  HA2    11 ARG  HN      3.39 
 10 GLY  HA2    13 LEU  QB      5.42 
 10 GLY  HA3    11 ARG  HN      3.39 
 10 GLY  HA3    13 LEU  QB      5.42 
 10 GLY  QA     11 ARG  HN      2.93 
 10 GLY  QA     13 LEU  QB      4.66 
 11 ARG  HN     11 ARG  HA      2.77 
 11 ARG  HN     11 ARG  QB      3.87 
 11 ARG  HN     11 ARG  HG2     3.76 
 11 ARG  HN     11 ARG  HG3     3.76 
 11 ARG  HN     11 ARG  QG      3.06 
 11 ARG  HA     11 ARG  HG2     3.64 
 11 ARG  HA     11 ARG  HG3     3.64 
 11 ARG  HA     11 ARG  HD2     3.30 
 11 ARG  HA     11 ARG  HD3     3.30 
 11 ARG  HA     11 ARG  QD      2.88 
 11 ARG  HA     13 LEU  HN      3.95 
 12 ILE  HN     12 ILE  HA      2.93 
 12 ILE  HN     12 ILE  HB      3.14 
 12 ILE  HN     12 ILE  QG2     4.29 
 12 ILE  HN     12 ILE  HG12    3.86 
 12 ILE  HN     12 ILE  HG13    3.86 
 12 ILE  HN     12 ILE  QD1     5.09 
 12 ILE  HN     13 LEU  HN      2.96 
 12 ILE  HN     13 LEU  QQD     7.16 
 12 ILE  HA     12 ILE  HB      2.68 
 12 ILE  HA     12 ILE  QG2     3.64 
 12 ILE  HA     12 ILE  HG12    3.55 
 12 ILE  HA     12 ILE  HG13    3.55 
 12 ILE  HA     12 ILE  QG1     3.09 
 12 ILE  HA     12 ILE  QD1     4.41 
 12 ILE  HA     13 LEU  HN      3.17 
 12 ILE  HA     13 LEU  QQD     6.64 
 12 ILE  HB     12 ILE  QD1     4.13 
 12 ILE  HB     13 LEU  HN      3.21 
 12 ILE  QG2    12 ILE  HG12    3.95 
 12 ILE  QG2    12 ILE  HG13    3.95 
 12 ILE  QG2    12 ILE  QG1     3.41 
 12 ILE  QG2    12 ILE  QD1     5.06 
 12 ILE  QG2    13 LEU  HN      4.69 
 12 ILE  QG1    13 LEU  HN      4.22 
 12 ILE  QD1    13 LEU  HN      5.81 
 13 LEU  HN     13 LEU  QB      3.93 
 13 LEU  HN     13 LEU  HG      3.52 
 13 LEU  HN     13 LEU  QQD     5.61 
 13 LEU  HN     14 NH2  HN1     3.95 
 13 LEU  HA     13 LEU  QQD     4.71 
 13 LEU  QB     14 NH2  HN1     6.01 
 13 LEU  QQD    14 NH2  HN1     7.60 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1          1H        PHE   1 -11.572   7.725  -0.551
    2    H2   PHE   1          2H        PHE   1 -10.715   8.104   0.822
    3    H3   PHE   1          3H        PHE   1  -9.938   7.957  -0.620
    4    HA   PHE   1           HA       PHE   1 -11.278   5.729   0.844
    5    HB2  PHE   1          2HB       PHE   1  -9.557   5.488  -1.714
    6    HB3  PHE   1          1HB       PHE   1 -10.399   4.203  -0.894
    7    HD1  PHE   1           HD1      PHE   1 -13.108   4.620  -0.609
    8    HD2  PHE   1           HD2      PHE   1 -10.607   6.388  -3.640
    9    HE1  PHE   1           HE1      PHE   1 -15.096   5.175  -1.944
   10    HE2  PHE   1           HE2      PHE   1 -12.604   6.916  -4.966
   11    HZ   PHE   1           HZ       PHE   1 -14.853   6.332  -4.117
   12    H    VAL   2           H        VAL   2  -9.852   4.234   1.861
   13    HA   VAL   2           HA       VAL   2  -6.916   5.139   2.115
   14    HB   VAL   2           HB       VAL   2  -8.448   3.732   4.340
   15   HG11  VAL   2          1HG1      VAL   2  -5.731   3.751   4.094
   16   HG12  VAL   2          2HG1      VAL   2  -5.898   5.371   4.797
   17   HG13  VAL   2          3HG1      VAL   2  -6.524   3.953   5.661
   18   HG21  VAL   2          1HG2      VAL   2  -9.515   5.928   4.267
   19   HG22  VAL   2          2HG2      VAL   2  -8.347   5.998   5.595
   20   HG23  VAL   2          3HG2      VAL   2  -7.969   6.769   4.031
   21    HA   JKH   3           HA       CAP   3  -6.792   0.716   0.464
   22    HD2  JKH   3          1HD       CAP   3  -7.726   4.118  -0.790
   23    HD3  JKH   3          2HD       CAP   3  -6.264   4.852  -0.097
   24    HB3  JKH   3          2HB       CAP   3  -5.393   1.097  -1.833
   25    HB2  JKH   3          1HB       CAP   3  -7.108   1.449  -1.742
   26    HG   JKH   3           HG       CAP   3  -6.352   3.546  -2.587
   27   HG22  JKH   3          1HG2      CAP   3  -4.276   4.597  -1.612
   28   HG21  JKH   3          2HG2      CAP   3  -4.042   3.203  -0.728
   29   HG23  JKH   3          3HG2      CAP   3  -3.955   3.148  -2.353
   30    H    TRP   4           H        TRP   4  -5.670   1.199   2.634
   31    HA   TRP   4           HA       TRP   4  -2.781   1.375   2.921
   32    HB2  TRP   4          1HB       TRP   4  -3.007  -0.064   4.953
   33    HB3  TRP   4          2HB       TRP   4  -4.008   1.358   4.921
   34    HD1  TRP   4           HD1      TRP   4  -6.659   1.083   4.991
   35    HE1  TRP   4           HE1      TRP   4  -8.383  -0.905   5.279
   36    HE3  TRP   4           HE3      TRP   4  -3.274  -2.713   4.464
   37    HZ2  TRP   4           HZ2      TRP   4  -8.122  -3.730   5.186
   38    HZ3  TRP   4           HZ3      TRP   4  -4.080  -5.048   4.561
   39    HH2  TRP   4           HH2      TRP   4  -6.466  -5.552   4.892
   40    H    PHE   5           H        PHE   5  -4.674  -1.371   1.810
   41    HA   PHE   5           HA       PHE   5  -2.579  -3.275   1.469
   42    HB2  PHE   5          2HB       PHE   5  -5.260  -3.410   1.052
   43    HB3  PHE   5          1HB       PHE   5  -4.826  -3.078  -0.601
   44    HD1  PHE   5           HD1      PHE   5  -4.411  -5.075  -1.942
   45    HD2  PHE   5           HD2      PHE   5  -3.723  -5.261   2.295
   46    HE1  PHE   5           HE1      PHE   5  -3.881  -7.477  -2.119
   47    HE2  PHE   5           HE2      PHE   5  -3.169  -7.643   2.105
   48    HZ   PHE   5           HZ       PHE   5  -3.248  -8.761  -0.100
   49    H    SER   6           H        SER   6  -3.258  -0.549  -0.625
   50    HA   SER   6           HA       SER   6  -0.962  -1.289  -2.495
   51    HB2  SER   6          2HB       SER   6  -2.288   1.328  -3.053
   52    HB3  SER   6          1HB       SER   6  -1.840   0.007  -4.115
   53    HG   SER   6           HG       SER   6  -4.029   0.074  -4.144
   54    H    LYS   7           H        LYS   7  -1.292   0.341   0.396
   55    HA   LYS   7           HA       LYS   7   0.929   2.366  -0.109
   56    HB2  LYS   7          2HB       LYS   7  -1.441   2.485   1.521
   57    HB3  LYS   7          1HB       LYS   7  -0.191   2.161   2.685
   58    HG2  LYS   7          2HG       LYS   7   1.110   4.172   1.446
   59    HG3  LYS   7          1HG       LYS   7  -0.463   4.505   0.719
   60    HD2  LYS   7          2HD       LYS   7  -1.509   4.803   2.962
   61    HD3  LYS   7          1HD       LYS   7  -0.033   4.309   3.779
   62    HE2  LYS   7          2HE       LYS   7   1.165   6.278   3.340
   63    HE3  LYS   7          1HE       LYS   7   0.354   6.618   1.820
   64    HZ1  LYS   7          1HZ       LYS   7  -0.418   8.181   3.574
   65    HZ2  LYS   7          2HZ       LYS   7  -1.683   7.261   3.078
   66    HZ3  LYS   7          3HZ       LYS   7  -0.962   6.947   4.519
   67    H    PHE   8           H        PHE   8   0.356  -0.567   1.786
   68    HA   PHE   8           HA       PHE   8   3.184  -0.628   2.846
   69    HB2  PHE   8          2HB       PHE   8   2.570  -2.280   4.248
   70    HB3  PHE   8          1HB       PHE   8   1.023  -1.539   4.077
   71    HD1  PHE   8           HD1      PHE   8  -0.360  -2.668   1.840
   72    HD2  PHE   8           HD2      PHE   8   2.606  -4.640   4.225
   73    HE1  PHE   8           HE1      PHE   8  -1.111  -4.857   0.987
   74    HE2  PHE   8           HE2      PHE   8   1.801  -6.817   3.400
   75    HZ   PHE   8           HZ       PHE   8  -0.058  -6.915   1.768
   76    H    LEU   9           H        LEU   9   1.381  -2.313   0.300
   77    HA   LEU   9           HA       LEU   9   3.186  -4.306  -0.440
   78    HB2  LEU   9          2HB       LEU   9   0.797  -3.808  -1.235
   79    HB3  LEU   9          1HB       LEU   9   1.453  -2.757  -2.449
   80    HG   LEU   9           HG       LEU   9   2.795  -5.421  -2.520
   81   HD11  LEU   9          1HD1      LEU   9   0.880  -6.449  -1.551
   82   HD12  LEU   9          2HD1      LEU   9  -0.267  -5.491  -2.514
   83   HD13  LEU   9          3HD1      LEU   9   0.733  -6.743  -3.294
   84   HD21  LEU   9          1HD2      LEU   9   2.748  -3.816  -4.456
   85   HD22  LEU   9          2HD2      LEU   9   2.095  -5.401  -4.902
   86   HD23  LEU   9          3HD2      LEU   9   0.985  -4.043  -4.610
   87    H    GLY  10           H        GLY  10   3.335  -1.017  -1.784
   88    HA2  GLY  10          1HA       GLY  10   5.615  -1.074  -3.559
   89    HA3  GLY  10          2HA       GLY  10   5.261   0.251  -2.474
   90    H    ARG  11           H        ARG  11   5.731  -0.932  -0.028
   91    HA   ARG  11           HA       ARG  11   8.745  -1.103   0.170
   92    HB2  ARG  11          2HB       ARG  11   6.457  -1.164   2.236
   93    HB3  ARG  11          1HB       ARG  11   8.087  -1.513   2.708
   94    HG2  ARG  11          2HG       ARG  11   7.406   1.134   1.273
   95    HG3  ARG  11          1HG       ARG  11   7.163   0.905   2.983
   96    HD2  ARG  11          2HD       ARG  11   9.866  -0.055   2.566
   97    HD3  ARG  11          1HD       ARG  11   9.715   1.271   1.406
   98    HE   ARG  11           HE       ARG  11   8.651   2.051   4.079
   99   HH11  ARG  11          1HH1      ARG  11  12.565   2.676   3.595
  100   HH12  ARG  11          2HH1      ARG  11  11.672   1.577   2.436
  101   HH21  ARG  11          1HH2      ARG  11  11.458   3.587   5.187
  102   HH22  ARG  11          2HH2      ARG  11   9.673   3.280   5.375
  103    H    ILE  12           H        ILE  12   6.025  -3.376   0.732
  104    HA   ILE  12           HA       ILE  12   7.645  -5.724   1.471
  105    HB   ILE  12           HB       ILE  12   4.924  -5.595   0.083
  106   HG12  ILE  12          2HG1      ILE  12   4.851  -4.473   2.303
  107   HG13  ILE  12          1HG1      ILE  12   3.824  -5.863   2.166
  108   HG21  ILE  12          1HG2      ILE  12   4.473  -7.928   1.002
  109   HG22  ILE  12          2HG2      ILE  12   5.688  -7.872  -0.285
  110   HG23  ILE  12          3HG2      ILE  12   6.203  -8.052   1.406
  111   HD11  ILE  12          1HD1      ILE  12   6.572  -6.004   3.587
  112   HD12  ILE  12          2HD1      ILE  12   5.045  -5.624   4.419
  113   HD13  ILE  12          3HD1      ILE  12   5.260  -7.210   3.648
  114    H    LEU  13           H        LEU  13   6.688  -4.578  -1.750
  115    HA   LEU  13           HA       LEU  13   7.888  -6.738  -3.331
  116    HB2  LEU  13          2HB       LEU  13   6.997  -3.845  -3.846
  117    HB3  LEU  13          1HB       LEU  13   7.917  -4.625  -5.073
  118    HG   LEU  13           HG       LEU  13   5.314  -4.638  -5.180
  119   HD11  LEU  13          1HD1      LEU  13   5.431  -7.077  -6.278
  120   HD12  LEU  13          2HD1      LEU  13   6.377  -5.744  -6.959
  121   HD13  LEU  13          3HD1      LEU  13   7.168  -6.955  -5.921
  122   HD21  LEU  13          1HD2      LEU  13   4.884  -5.707  -2.917
  123   HD22  LEU  13          2HD2      LEU  13   4.088  -6.536  -4.265
  124   HD23  LEU  13          3HD2      LEU  13   5.549  -7.225  -3.519
  125    HN1  NH2  14          1HN       NH2  14  11.109  -4.218  -2.972
  126    HN2  NH2  14          2HN       NH2  14   9.434  -3.454  -2.876
  Start of MODEL    2
    1    H1   PHE   1          1H        PHE   1 -11.637   7.644  -0.278
    2    H2   PHE   1          2H        PHE   1 -11.095   7.165   1.210
    3    H3   PHE   1          3H        PHE   1 -10.259   8.298   0.350
    4    HA   PHE   1           HA       PHE   1 -10.599   5.437  -0.465
    5    HB2  PHE   1          2HB       PHE   1  -8.927   7.640  -1.851
    6    HB3  PHE   1          1HB       PHE   1  -8.928   5.954  -2.270
    7    HD1  PHE   1           HD1      PHE   1 -10.896   9.075  -2.413
    8    HD2  PHE   1           HD2      PHE   1 -10.887   4.891  -3.438
    9    HE1  PHE   1           HE1      PHE   1 -12.888   9.404  -3.810
   10    HE2  PHE   1           HE2      PHE   1 -12.864   5.248  -4.859
   11    HZ   PHE   1           HZ       PHE   1 -13.878   7.498  -5.035
   12    H    VAL   2           H        VAL   2  -9.517   4.327   1.112
   13    HA   VAL   2           HA       VAL   2  -6.641   5.202   1.735
   14    HB   VAL   2           HB       VAL   2  -8.445   3.951   3.849
   15   HG11  VAL   2          1HG1      VAL   2  -5.848   5.470   4.464
   16   HG12  VAL   2          2HG1      VAL   2  -6.661   4.176   5.364
   17   HG13  VAL   2          3HG1      VAL   2  -5.749   3.783   3.904
   18   HG21  VAL   2          1HG2      VAL   2  -7.811   6.948   3.453
   19   HG22  VAL   2          2HG2      VAL   2  -9.397   6.173   3.647
   20   HG23  VAL   2          3HG2      VAL   2  -8.301   6.278   5.031
   21    HA   JKH   3           HA       CAP   3  -6.594   0.736   0.228
   22    HD2  JKH   3          1HD       CAP   3  -7.265   4.117  -1.183
   23    HD3  JKH   3          2HD       CAP   3  -5.826   4.823  -0.423
   24    HB3  JKH   3          2HB       CAP   3  -4.982   0.963  -1.957
   25    HB2  JKH   3          1HB       CAP   3  -6.682   1.389  -2.009
   26    HG   JKH   3           HG       CAP   3  -5.786   3.422  -2.861
   27   HG22  JKH   3          1HG2      CAP   3  -3.734   4.403  -1.797
   28   HG21  JKH   3          2HG2      CAP   3  -3.633   3.027  -0.839
   29   HG23  JKH   3          3HG2      CAP   3  -3.447   2.918  -2.455
   30    H    TRP   4           H        TRP   4  -5.656   1.161   2.458
   31    HA   TRP   4           HA       TRP   4  -2.829   1.271   3.059
   32    HB2  TRP   4          1HB       TRP   4  -3.333  -0.138   5.076
   33    HB3  TRP   4          2HB       TRP   4  -4.292   1.301   4.903
   34    HD1  TRP   4           HD1      TRP   4  -6.938   1.074   4.667
   35    HE1  TRP   4           HE1      TRP   4  -8.724  -0.879   4.765
   36    HE3  TRP   4           HE3      TRP   4  -3.594  -2.792   4.558
   37    HZ2  TRP   4           HZ2      TRP   4  -8.511  -3.708   4.732
   38    HZ3  TRP   4           HZ3      TRP   4  -4.453  -5.109   4.529
   39    HH2  TRP   4           HH2      TRP   4  -6.871  -5.564   4.626
   40    H    PHE   5           H        PHE   5  -4.607  -1.472   1.794
   41    HA   PHE   5           HA       PHE   5  -2.588  -3.487   1.695
   42    HB2  PHE   5          2HB       PHE   5  -5.207  -3.092   0.546
   43    HB3  PHE   5          1HB       PHE   5  -4.216  -3.240  -0.855
   44    HD1  PHE   5           HD1      PHE   5  -6.022  -5.055   1.582
   45    HD2  PHE   5           HD2      PHE   5  -2.425  -5.313  -0.767
   46    HE1  PHE   5           HE1      PHE   5  -5.974  -7.490   1.912
   47    HE2  PHE   5           HE2      PHE   5  -2.382  -7.749  -0.415
   48    HZ   PHE   5           HZ       PHE   5  -4.152  -8.842   0.926
   49    H    SER   6           H        SER   6  -2.978  -0.872  -0.683
   50    HA   SER   6           HA       SER   6  -0.439  -1.528  -2.173
   51    HB2  SER   6          2HB       SER   6  -2.407   0.828  -2.351
   52    HB3  SER   6          1HB       SER   6  -0.918   0.744  -3.302
   53    HG   SER   6           HG       SER   6  -2.517  -0.194  -4.521
   54    H    LYS   7           H        LYS   7  -1.338   0.811   0.365
   55    HA   LYS   7           HA       LYS   7   1.213   2.329   0.447
   56    HB2  LYS   7          2HB       LYS   7  -0.702   1.731   2.781
   57    HB3  LYS   7          1HB       LYS   7   0.626   2.862   2.840
   58    HG2  LYS   7          2HG       LYS   7  -0.468   4.202   0.934
   59    HG3  LYS   7          1HG       LYS   7  -1.858   3.122   1.062
   60    HD2  LYS   7          2HD       LYS   7  -1.725   3.818   3.704
   61    HD3  LYS   7          1HD       LYS   7  -0.822   5.184   3.104
   62    HE2  LYS   7          2HE       LYS   7  -3.704   4.362   2.272
   63    HE3  LYS   7          1HE       LYS   7  -3.305   5.620   3.436
   64    HZ1  LYS   7          1HZ       LYS   7  -3.687   6.589   1.142
   65    HZ2  LYS   7          2HZ       LYS   7  -2.163   6.900   1.665
   66    HZ3  LYS   7          3HZ       LYS   7  -2.389   5.731   0.564
   67    H    PHE   8           H        PHE   8   0.282  -0.739   1.975
   68    HA   PHE   8           HA       PHE   8   3.034  -1.020   3.170
   69    HB2  PHE   8          2HB       PHE   8   0.976  -1.831   4.424
   70    HB3  PHE   8          1HB       PHE   8   0.719  -3.028   3.179
   71    HD1  PHE   8           HD1      PHE   8   4.186  -2.148   4.562
   72    HD2  PHE   8           HD2      PHE   8   0.911  -4.956   4.612
   73    HE1  PHE   8           HE1      PHE   8   5.596  -3.774   5.685
   74    HE2  PHE   8           HE2      PHE   8   2.348  -6.567   5.792
   75    HZ   PHE   8           HZ       PHE   8   4.697  -5.988   6.312
   76    H    LEU   9           H        LEU   9   1.138  -2.958   0.748
   77    HA   LEU   9           HA       LEU   9   3.226  -4.678  -0.099
   78    HB2  LEU   9          2HB       LEU   9   0.694  -4.645  -0.678
   79    HB3  LEU   9          1HB       LEU   9   1.068  -3.540  -1.959
   80    HG   LEU   9           HG       LEU   9   2.862  -5.911  -2.100
   81   HD11  LEU   9          1HD1      LEU   9   1.264  -7.721  -2.439
   82   HD12  LEU   9          2HD1      LEU   9   1.097  -7.068  -0.799
   83   HD13  LEU   9          3HD1      LEU   9  -0.111  -6.653  -2.043
   84   HD21  LEU   9          1HD2      LEU   9   2.414  -4.562  -4.104
   85   HD22  LEU   9          2HD2      LEU   9   1.733  -6.174  -4.393
   86   HD23  LEU   9          3HD2      LEU   9   0.656  -4.823  -3.979
   87    H    GLY  10           H        GLY  10   2.696  -1.409  -1.443
   88    HA2  GLY  10          1HA       GLY  10   4.730  -1.149  -3.472
   89    HA3  GLY  10          2HA       GLY  10   4.310   0.109  -2.331
   90    H    ARG  11           H        ARG  11   5.252  -0.989   0.024
   91    HA   ARG  11           HA       ARG  11   8.260  -0.676  -0.152
   92    HB2  ARG  11          2HB       ARG  11   6.281  -1.095   2.176
   93    HB3  ARG  11          1HB       ARG  11   7.993  -1.174   2.438
   94    HG2  ARG  11          2HG       ARG  11   6.718   1.328   1.151
   95    HG3  ARG  11          1HG       ARG  11   6.738   1.060   2.874
   96    HD2  ARG  11          2HD       ARG  11   9.470   0.545   2.122
   97    HD3  ARG  11          1HD       ARG  11   8.995   1.822   0.998
   98    HE   ARG  11           HE       ARG  11   8.052   2.691   3.586
   99   HH11  ARG  11          1HH1      ARG  11  12.036   2.967   3.448
  100   HH12  ARG  11          2HH1      ARG  11  11.157   1.917   2.235
  101   HH21  ARG  11          1HH2      ARG  11  10.878   4.023   4.904
  102   HH22  ARG  11          2HH2      ARG  11   9.065   3.871   4.945
  103    H    ILE  12           H        ILE  12   5.989  -3.333   0.599
  104    HA   ILE  12           HA       ILE  12   8.011  -5.393   1.205
  105    HB   ILE  12           HB       ILE  12   5.272  -5.953  -0.052
  106   HG12  ILE  12          2HG1      ILE  12   5.845  -5.629   2.962
  107   HG13  ILE  12          1HG1      ILE  12   4.926  -4.530   1.984
  108   HG21  ILE  12          1HG2      ILE  12   5.433  -8.191   1.000
  109   HG22  ILE  12          2HG2      ILE  12   6.920  -7.941   0.097
  110   HG23  ILE  12          3HG2      ILE  12   6.921  -7.749   1.865
  111   HD11  ILE  12          1HD1      ILE  12   3.032  -5.645   2.509
  112   HD12  ILE  12          2HD1      ILE  12   3.562  -7.030   1.549
  113   HD13  ILE  12          3HD1      ILE  12   3.958  -6.953   3.280
  114    H    LEU  13           H        LEU  13   6.534  -4.467  -1.896
  115    HA   LEU  13           HA       LEU  13   7.915  -6.365  -3.651
  116    HB2  LEU  13          2HB       LEU  13   6.575  -3.624  -3.989
  117    HB3  LEU  13          1HB       LEU  13   7.472  -4.245  -5.317
  118    HG   LEU  13           HG       LEU  13   4.913  -4.602  -5.214
  119   HD11  LEU  13          1HD1      LEU  13   6.593  -7.079  -5.951
  120   HD12  LEU  13          2HD1      LEU  13   5.019  -6.588  -6.628
  121   HD13  LEU  13          3HD1      LEU  13   6.465  -5.616  -6.960
  122   HD21  LEU  13          1HD2      LEU  13   4.040  -6.702  -4.244
  123   HD22  LEU  13          2HD2      LEU  13   5.638  -7.141  -3.601
  124   HD23  LEU  13          3HD2      LEU  13   4.789  -5.740  -2.956
  125    HN1  NH2  14          1HN       NH2  14  10.766  -3.446  -3.309
  126    HN2  NH2  14          2HN       NH2  14   9.052  -3.017  -2.798
  Start of MODEL    3
    1    H1   PHE   1          1H        PHE   1 -11.274   8.008  -0.593
    2    H2   PHE   1          2H        PHE   1 -10.711   7.806   0.954
    3    H3   PHE   1          3H        PHE   1  -9.768   8.540  -0.173
    4    HA   PHE   1           HA       PHE   1 -10.584   5.689  -0.293
    5    HB2  PHE   1          2HB       PHE   1  -9.054   5.453  -2.192
    6    HB3  PHE   1          1HB       PHE   1 -10.345   6.541  -2.556
    7    HD1  PHE   1           HD1      PHE   1  -9.887   9.029  -2.816
    8    HD2  PHE   1           HD2      PHE   1  -6.666   6.253  -2.157
    9    HE1  PHE   1           HE1      PHE   1  -8.251  10.771  -3.384
   10    HE2  PHE   1           HE2      PHE   1  -5.045   8.007  -2.742
   11    HZ   PHE   1           HZ       PHE   1  -5.832  10.270  -3.340
   12    H    VAL   2           H        VAL   2  -9.400   4.364   1.023
   13    HA   VAL   2           HA       VAL   2  -6.536   5.189   1.721
   14    HB   VAL   2           HB       VAL   2  -8.376   4.025   3.852
   15   HG11  VAL   2          1HG1      VAL   2  -5.472   4.172   3.713
   16   HG12  VAL   2          2HG1      VAL   2  -5.970   5.373   4.914
   17   HG13  VAL   2          3HG1      VAL   2  -6.489   3.691   5.075
   18   HG21  VAL   2          1HG2      VAL   2  -7.635   6.982   3.412
   19   HG22  VAL   2          2HG2      VAL   2  -9.241   6.258   3.644
   20   HG23  VAL   2          3HG2      VAL   2  -8.121   6.354   5.008
   21    HA   JKH   3           HA       CAP   3  -6.586   0.725   0.221
   22    HD2  JKH   3          1HD       CAP   3  -7.115   4.137  -1.166
   23    HD3  JKH   3          2HD       CAP   3  -5.666   4.788  -0.370
   24    HB3  JKH   3          2HB       CAP   3  -4.928   0.923  -1.935
   25    HB2  JKH   3          1HB       CAP   3  -6.611   1.410  -2.012
   26    HG   JKH   3           HG       CAP   3  -5.621   3.417  -2.823
   27   HG22  JKH   3          1HG2      CAP   3  -3.561   4.325  -1.689
   28   HG21  JKH   3          2HG2      CAP   3  -3.524   2.947  -0.751
   29   HG23  JKH   3          3HG2      CAP   3  -3.300   2.839  -2.366
   30    H    TRP   4           H        TRP   4  -5.652   1.138   2.479
   31    HA   TRP   4           HA       TRP   4  -2.834   1.101   3.126
   32    HB2  TRP   4          1HB       TRP   4  -3.432  -0.291   5.116
   33    HB3  TRP   4          2HB       TRP   4  -4.334   1.184   4.932
   34    HD1  TRP   4           HD1      TRP   4  -6.984   1.058   4.654
   35    HE1  TRP   4           HE1      TRP   4  -8.841  -0.828   4.719
   36    HE3  TRP   4           HE3      TRP   4  -3.782  -2.925   4.571
   37    HZ2  TRP   4           HZ2      TRP   4  -8.731  -3.664   4.676
   38    HZ3  TRP   4           HZ3      TRP   4  -4.723  -5.210   4.514
   39    HH2  TRP   4           HH2      TRP   4  -7.157  -5.578   4.579
   40    H    PHE   5           H        PHE   5  -4.701  -1.562   1.821
   41    HA   PHE   5           HA       PHE   5  -2.751  -3.646   1.716
   42    HB2  PHE   5          2HB       PHE   5  -5.340  -3.092   0.480
   43    HB3  PHE   5          1HB       PHE   5  -4.305  -3.401  -0.857
   44    HD1  PHE   5           HD1      PHE   5  -2.591  -5.563  -0.423
   45    HD2  PHE   5           HD2      PHE   5  -6.444  -4.966   1.401
   46    HE1  PHE   5           HE1      PHE   5  -2.756  -7.973   0.040
   47    HE2  PHE   5           HE2      PHE   5  -6.604  -7.379   1.834
   48    HZ   PHE   5           HZ       PHE   5  -4.758  -8.888   1.169
   49    H    SER   6           H        SER   6  -3.009  -0.965  -0.578
   50    HA   SER   6           HA       SER   6  -0.497  -1.790  -2.057
   51    HB2  SER   6          2HB       SER   6  -2.715  -0.537  -3.071
   52    HB3  SER   6          1HB       SER   6  -1.834   0.901  -2.567
   53    HG   SER   6           HG       SER   6  -0.840  -1.209  -4.213
   54    H    LYS   7           H        LYS   7  -1.459   0.679   0.298
   55    HA   LYS   7           HA       LYS   7   1.022   2.231   0.409
   56    HB2  LYS   7          2HB       LYS   7  -1.457   2.292   1.825
   57    HB3  LYS   7          1HB       LYS   7  -0.365   1.740   3.056
   58    HG2  LYS   7          2HG       LYS   7   1.137   3.872   2.140
   59    HG3  LYS   7          1HG       LYS   7  -0.413   4.364   1.495
   60    HD2  LYS   7          2HD       LYS   7  -1.089   3.698   4.203
   61    HD3  LYS   7          1HD       LYS   7   0.583   4.139   4.352
   62    HE2  LYS   7          2HE       LYS   7  -0.502   6.203   4.767
   63    HE3  LYS   7          1HE       LYS   7   0.020   6.388   3.096
   64    HZ1  LYS   7          1HZ       LYS   7  -2.395   6.965   3.307
   65    HZ2  LYS   7          2HZ       LYS   7  -2.284   5.583   2.414
   66    HZ3  LYS   7          3HZ       LYS   7  -2.739   5.506   3.985
   67    H    PHE   8           H        PHE   8   0.229  -0.827   2.000
   68    HA   PHE   8           HA       PHE   8   2.993  -1.001   3.195
   69    HB2  PHE   8          2HB       PHE   8   0.951  -1.856   4.467
   70    HB3  PHE   8          1HB       PHE   8   0.738  -3.082   3.243
   71    HD1  PHE   8           HD1      PHE   8   4.139  -2.031   4.675
   72    HD2  PHE   8           HD2      PHE   8   1.015  -5.005   4.659
   73    HE1  PHE   8           HE1      PHE   8   5.604  -3.579   5.843
   74    HE2  PHE   8           HE2      PHE   8   2.501  -6.533   5.885
   75    HZ   PHE   8           HZ       PHE   8   4.803  -5.833   6.461
   76    H    LEU   9           H        LEU   9   1.140  -3.074   0.855
   77    HA   LEU   9           HA       LEU   9   3.278  -4.711   0.005
   78    HB2  LEU   9          2HB       LEU   9   0.730  -4.780  -0.564
   79    HB3  LEU   9          1HB       LEU   9   1.077  -3.715  -1.886
   80    HG   LEU   9           HG       LEU   9   2.966  -6.000  -1.933
   81   HD11  LEU   9          1HD1      LEU   9   0.118  -7.068  -2.107
   82   HD12  LEU   9          2HD1      LEU   9   1.668  -7.934  -1.958
   83   HD13  LEU   9          3HD1      LEU   9   1.009  -7.065  -0.565
   84   HD21  LEU   9          1HD2      LEU   9   0.696  -5.140  -3.849
   85   HD22  LEU   9          2HD2      LEU   9   2.426  -4.741  -3.981
   86   HD23  LEU   9          3HD2      LEU   9   1.879  -6.414  -4.212
   87    H    GLY  10           H        GLY  10   2.607  -1.505  -1.420
   88    HA2  GLY  10          1HA       GLY  10   4.589  -1.221  -3.494
   89    HA3  GLY  10          2HA       GLY  10   4.137   0.047  -2.378
   90    H    ARG  11           H        ARG  11   5.165  -0.950  -0.015
   91    HA   ARG  11           HA       ARG  11   8.155  -0.503  -0.263
   92    HB2  ARG  11          2HB       ARG  11   6.244  -0.933   2.119
   93    HB3  ARG  11          1HB       ARG  11   7.965  -0.905   2.341
   94    HG2  ARG  11          2HG       ARG  11   6.568   1.468   0.936
   95    HG3  ARG  11          1HG       ARG  11   6.519   1.290   2.662
   96    HD2  ARG  11          2HD       ARG  11   9.349   0.917   2.007
   97    HD3  ARG  11          1HD       ARG  11   8.799   2.116   0.878
   98    HE   ARG  11           HE       ARG  11   8.589   3.709   2.677
   99   HH11  ARG  11          1HH1      ARG  11   8.691   1.155   5.767
  100   HH12  ARG  11          2HH1      ARG  11   8.647   0.529   4.046
  101   HH21  ARG  11          1HH2      ARG  11   8.668   3.276   6.052
  102   HH22  ARG  11          2HH2      ARG  11   8.624   4.417   4.633
  103    H    ILE  12           H        ILE  12   6.017  -3.230   0.599
  104    HA   ILE  12           HA       ILE  12   8.145  -5.181   1.234
  105    HB   ILE  12           HB       ILE  12   5.411  -5.894   0.046
  106   HG12  ILE  12          2HG1      ILE  12   6.021  -5.474   3.043
  107   HG13  ILE  12          1HG1      ILE  12   5.039  -4.436   2.059
  108   HG21  ILE  12          1HG2      ILE  12   5.697  -8.094   1.149
  109   HG22  ILE  12          2HG2      ILE  12   7.158  -7.798   0.219
  110   HG23  ILE  12          3HG2      ILE  12   7.172  -7.560   1.981
  111   HD11  ILE  12          1HD1      ILE  12   4.188  -6.847   3.438
  112   HD12  ILE  12          2HD1      ILE  12   3.198  -5.621   2.613
  113   HD13  ILE  12          3HD1      ILE  12   3.792  -7.022   1.714
  114    H    LEU  13           H        LEU  13   6.601  -4.348  -1.855
  115    HA   LEU  13           HA       LEU  13   8.002  -6.265  -3.577
  116    HB2  LEU  13          2HB       LEU  13   6.485  -3.626  -3.972
  117    HB3  LEU  13          1HB       LEU  13   7.390  -4.224  -5.308
  118    HG   LEU  13           HG       LEU  13   4.860  -4.771  -5.099
  119   HD11  LEU  13          1HD1      LEU  13   5.488  -7.281  -6.092
  120   HD12  LEU  13          2HD1      LEU  13   5.672  -5.773  -6.997
  121   HD13  LEU  13          3HD1      LEU  13   7.079  -6.505  -6.193
  122   HD21  LEU  13          1HD2      LEU  13   5.815  -7.186  -3.440
  123   HD22  LEU  13          2HD2      LEU  13   4.904  -5.813  -2.808
  124   HD23  LEU  13          3HD2      LEU  13   4.172  -6.863  -4.034
  125    HN1  NH2  14          1HN       NH2  14  10.674  -3.150  -3.716
  126    HN2  NH2  14          2HN       NH2  14   8.904  -2.719  -3.421
  Start of MODEL    4
    1    H1   PHE   1          1H        PHE   1 -11.982   6.569  -0.178
    2    H2   PHE   1          2H        PHE   1 -11.280   5.411   0.761
    3    H3   PHE   1          3H        PHE   1 -11.225   6.991   1.223
    4    HA   PHE   1           HA       PHE   1  -9.866   5.881  -1.216
    5    HB2  PHE   1          2HB       PHE   1  -9.929   8.769  -0.101
    6    HB3  PHE   1          1HB       PHE   1  -8.868   8.228  -1.358
    7    HD1  PHE   1           HD1      PHE   1  -9.618   7.927  -3.669
    8    HD2  PHE   1           HD2      PHE   1 -12.468   8.833  -0.569
    9    HE1  PHE   1           HE1      PHE   1 -11.355   8.331  -5.365
   10    HE2  PHE   1           HE2      PHE   1 -14.200   9.175  -2.271
   11    HZ   PHE   1           HZ       PHE   1 -13.652   8.937  -4.671
   12    H    VAL   2           H        VAL   2  -9.278   4.372   0.869
   13    HA   VAL   2           HA       VAL   2  -6.506   5.291   1.710
   14    HB   VAL   2           HB       VAL   2  -8.384   4.051   3.782
   15   HG11  VAL   2          1HG1      VAL   2  -6.619   4.450   5.382
   16   HG12  VAL   2          2HG1      VAL   2  -5.791   3.732   3.993
   17   HG13  VAL   2          3HG1      VAL   2  -5.692   5.487   4.274
   18   HG21  VAL   2          1HG2      VAL   2  -9.296   6.297   3.564
   19   HG22  VAL   2          2HG2      VAL   2  -8.244   6.364   4.983
   20   HG23  VAL   2          3HG2      VAL   2  -7.690   7.042   3.430
   21    HA   JKH   3           HA       CAP   3  -6.532   0.837   0.146
   22    HD2  JKH   3          1HD       CAP   3  -7.105   4.255  -1.228
   23    HD3  JKH   3          2HD       CAP   3  -5.676   4.921  -0.413
   24    HB3  JKH   3          2HB       CAP   3  -4.860   1.077  -1.996
   25    HB2  JKH   3          1HB       CAP   3  -6.550   1.536  -2.082
   26    HG   JKH   3           HG       CAP   3  -5.582   3.565  -2.872
   27   HG22  JKH   3          1HG2      CAP   3  -3.567   4.514  -1.695
   28   HG21  JKH   3          2HG2      CAP   3  -3.509   3.136  -0.767
   29   HG23  JKH   3          3HG2      CAP   3  -3.253   3.041  -2.382
   30    H    TRP   4           H        TRP   4  -5.625   1.258   2.416
   31    HA   TRP   4           HA       TRP   4  -2.813   1.267   3.081
   32    HB2  TRP   4          1HB       TRP   4  -3.402  -0.139   5.070
   33    HB3  TRP   4          2HB       TRP   4  -4.329   1.320   4.882
   34    HD1  TRP   4           HD1      TRP   4  -6.974   1.145   4.595
   35    HE1  TRP   4           HE1      TRP   4  -8.798  -0.775   4.648
   36    HE3  TRP   4           HE3      TRP   4  -3.701  -2.781   4.517
   37    HZ2  TRP   4           HZ2      TRP   4  -8.636  -3.608   4.600
   38    HZ3  TRP   4           HZ3      TRP   4  -4.601  -5.082   4.454
   39    HH2  TRP   4           HH2      TRP   4  -7.029  -5.494   4.507
   40    H    PHE   5           H        PHE   5  -4.627  -1.416   1.750
   41    HA   PHE   5           HA       PHE   5  -2.642  -3.469   1.658
   42    HB2  PHE   5          2HB       PHE   5  -5.242  -3.011   0.478
   43    HB3  PHE   5          1HB       PHE   5  -4.233  -3.187  -0.906
   44    HD1  PHE   5           HD1      PHE   5  -2.433  -5.291  -0.692
   45    HD2  PHE   5           HD2      PHE   5  -6.181  -4.967   1.400
   46    HE1  PHE   5           HE1      PHE   5  -2.457  -7.725  -0.339
   47    HE2  PHE   5           HE2      PHE   5  -6.202  -7.403   1.724
   48    HZ   PHE   5           HZ       PHE   5  -4.338  -8.787   0.869
   49    H    SER   6           H        SER   6  -2.944  -0.804  -0.670
   50    HA   SER   6           HA       SER   6  -0.429  -1.541  -2.182
   51    HB2  SER   6          2HB       SER   6  -2.439  -0.413  -3.297
   52    HB3  SER   6          1HB       SER   6  -2.109   1.038  -2.345
   53    HG   SER   6           HG       SER   6   0.118   0.861  -3.302
   54    H    LYS   7           H        LYS   7  -1.352   0.803   0.321
   55    HA   LYS   7           HA       LYS   7   1.161   2.325   0.466
   56    HB2  LYS   7          2HB       LYS   7  -1.356   2.484   1.743
   57    HB3  LYS   7          1HB       LYS   7  -0.382   1.832   3.034
   58    HG2  LYS   7          2HG       LYS   7   1.231   3.765   2.788
   59    HG3  LYS   7          1HG       LYS   7   0.284   4.409   1.454
   60    HD2  LYS   7          2HD       LYS   7  -1.533   5.090   2.788
   61    HD3  LYS   7          1HD       LYS   7  -1.290   3.846   4.007
   62    HE2  LYS   7          2HE       LYS   7   0.811   5.035   4.831
   63    HE3  LYS   7          1HE       LYS   7   0.542   6.327   3.656
   64    HZ1  LYS   7          1HZ       LYS   7  -0.489   6.864   5.878
   65    HZ2  LYS   7          2HZ       LYS   7  -1.672   6.762   4.741
   66    HZ3  LYS   7          3HZ       LYS   7  -1.444   5.532   5.802
   67    H    PHE   8           H        PHE   8   0.271  -0.751   1.972
   68    HA   PHE   8           HA       PHE   8   3.027  -1.024   3.181
   69    HB2  PHE   8          2HB       PHE   8   0.965  -1.845   4.435
   70    HB3  PHE   8          1HB       PHE   8   0.710  -3.035   3.183
   71    HD1  PHE   8           HD1      PHE   8   4.159  -2.151   4.608
   72    HD2  PHE   8           HD2      PHE   8   0.906  -4.984   4.582
   73    HE1  PHE   8           HE1      PHE   8   5.563  -3.778   5.742
   74    HE2  PHE   8           HE2      PHE   8   2.334  -6.594   5.772
   75    HZ   PHE   8           HZ       PHE   8   4.670  -6.003   6.336
   76    H    LEU   9           H        LEU   9   1.119  -2.972   0.769
   77    HA   LEU   9           HA       LEU   9   3.206  -4.686  -0.082
   78    HB2  LEU   9          2HB       LEU   9   0.670  -4.658  -0.665
   79    HB3  LEU   9          1HB       LEU   9   1.050  -3.564  -1.955
   80    HG   LEU   9           HG       LEU   9   2.853  -5.922  -2.074
   81   HD11  LEU   9          1HD1      LEU   9   1.338  -7.770  -2.328
   82   HD12  LEU   9          2HD1      LEU   9   1.023  -7.038  -0.745
   83   HD13  LEU   9          3HD1      LEU   9  -0.099  -6.738  -2.097
   84   HD21  LEU   9          1HD2      LEU   9   1.759  -6.215  -4.364
   85   HD22  LEU   9          2HD2      LEU   9   0.616  -4.916  -3.962
   86   HD23  LEU   9          3HD2      LEU   9   2.359  -4.569  -4.083
   87    H    GLY  10           H        GLY  10   2.672  -1.426  -1.434
   88    HA2  GLY  10          1HA       GLY  10   4.695  -1.170  -3.476
   89    HA3  GLY  10          2HA       GLY  10   4.273   0.091  -2.341
   90    H    ARG  11           H        ARG  11   5.229  -1.004   0.019
   91    HA   ARG  11           HA       ARG  11   8.234  -0.670  -0.173
   92    HB2  ARG  11          2HB       ARG  11   6.273  -1.106   2.166
   93    HB3  ARG  11          1HB       ARG  11   7.987  -1.176   2.416
   94    HG2  ARG  11          2HG       ARG  11   6.681   1.325   1.156
   95    HG3  ARG  11          1HG       ARG  11   6.731   1.043   2.880
   96    HD2  ARG  11          2HD       ARG  11   9.445   0.566   2.177
   97    HD3  ARG  11          1HD       ARG  11   8.983   1.753   0.949
   98    HE   ARG  11           HE       ARG  11   8.005   2.747   3.510
   99   HH11  ARG  11          1HH1      ARG  11  11.958   3.241   3.199
  100   HH12  ARG  11          2HH1      ARG  11  11.097   2.079   2.079
  101   HH21  ARG  11          1HH2      ARG  11  10.795   4.303   4.647
  102   HH22  ARG  11          2HH2      ARG  11   8.996   4.051   4.768
  103    H    ILE  12           H        ILE  12   5.984  -3.339   0.598
  104    HA   ILE  12           HA       ILE  12   8.018  -5.390   1.189
  105    HB   ILE  12           HB       ILE  12   5.272  -5.960  -0.048
  106   HG12  ILE  12          2HG1      ILE  12   5.866  -5.644   2.964
  107   HG13  ILE  12          1HG1      ILE  12   4.942  -4.538   1.998
  108   HG21  ILE  12          1HG2      ILE  12   6.925  -7.942   0.084
  109   HG22  ILE  12          2HG2      ILE  12   6.948  -7.750   1.851
  110   HG23  ILE  12          3HG2      ILE  12   5.451  -8.198   1.006
  111   HD11  ILE  12          1HD1      ILE  12   3.046  -5.655   2.507
  112   HD12  ILE  12          2HD1      ILE  12   3.584  -7.051   1.565
  113   HD13  ILE  12          3HD1      ILE  12   3.973  -6.952   3.297
  114    H    LEU  13           H        LEU  13   6.511  -4.473  -1.900
  115    HA   LEU  13           HA       LEU  13   7.899  -6.353  -3.666
  116    HB2  LEU  13          2HB       LEU  13   6.520  -3.630  -3.992
  117    HB3  LEU  13          1HB       LEU  13   7.415  -4.237  -5.330
  118    HG   LEU  13           HG       LEU  13   4.854  -4.656  -5.179
  119   HD11  LEU  13          1HD1      LEU  13   5.392  -7.186  -6.220
  120   HD12  LEU  13          2HD1      LEU  13   5.602  -5.663  -7.092
  121   HD13  LEU  13          3HD1      LEU  13   6.998  -6.442  -6.314
  122   HD21  LEU  13          1HD2      LEU  13   4.038  -6.747  -4.198
  123   HD22  LEU  13          2HD2      LEU  13   5.651  -7.167  -3.581
  124   HD23  LEU  13          3HD2      LEU  13   4.794  -5.771  -2.927
  125    HN1  NH2  14          1HN       NH2  14  10.770  -3.493  -3.246
  126    HN2  NH2  14          2HN       NH2  14   9.087  -3.105  -2.622
  Start of MODEL    5
    1    H1   PHE   1          1H        PHE   1 -11.358   7.888  -0.264
    2    H2   PHE   1          2H        PHE   1 -10.842   7.353   1.215
    3    H3   PHE   1          3H        PHE   1  -9.970   8.489   0.399
    4    HA   PHE   1           HA       PHE   1 -10.361   5.664  -0.507
    5    HB2  PHE   1          2HB       PHE   1  -8.684   7.925  -1.798
    6    HB3  PHE   1          1HB       PHE   1  -8.582   6.248  -2.233
    7    HD1  PHE   1           HD1      PHE   1 -10.265   5.174  -3.671
    8    HD2  PHE   1           HD2      PHE   1 -10.871   9.197  -2.255
    9    HE1  PHE   1           HE1      PHE   1 -12.186   5.432  -5.185
   10    HE2  PHE   1           HE2      PHE   1 -12.816   9.416  -3.733
   11    HZ   PHE   1           HZ       PHE   1 -13.478   7.542  -5.205
   12    H    VAL   2           H        VAL   2  -9.296   4.449   0.985
   13    HA   VAL   2           HA       VAL   2  -6.424   5.239   1.694
   14    HB   VAL   2           HB       VAL   2  -8.309   4.077   3.794
   15   HG11  VAL   2          1HG1      VAL   2  -5.588   3.826   3.843
   16   HG12  VAL   2          2HG1      VAL   2  -5.670   5.477   4.484
   17   HG13  VAL   2          3HG1      VAL   2  -6.521   4.154   5.309
   18   HG21  VAL   2          1HG2      VAL   2  -7.457   7.036   3.494
   19   HG22  VAL   2          2HG2      VAL   2  -9.110   6.386   3.507
   20   HG23  VAL   2          3HG2      VAL   2  -8.147   6.348   4.989
   21    HA   JKH   3           HA       CAP   3  -6.586   0.763   0.195
   22    HD2  JKH   3          1HD       CAP   3  -7.056   4.179  -1.218
   23    HD3  JKH   3          2HD       CAP   3  -5.599   4.809  -0.423
   24    HB3  JKH   3          2HB       CAP   3  -4.923   0.918  -1.962
   25    HB2  JKH   3          1HB       CAP   3  -6.597   1.433  -2.041
   26    HG   JKH   3           HG       CAP   3  -5.567   3.418  -2.864
   27   HG22  JKH   3          1HG2      CAP   3  -3.509   4.310  -1.717
   28   HG21  JKH   3          2HG2      CAP   3  -3.495   2.943  -0.769
   29   HG23  JKH   3          3HG2      CAP   3  -3.254   2.815  -2.381
   30    H    TRP   4           H        TRP   4  -5.637   1.171   2.454
   31    HA   TRP   4           HA       TRP   4  -2.824   1.095   3.089
   32    HB2  TRP   4          1HB       TRP   4  -3.426  -0.274   5.093
   33    HB3  TRP   4          2HB       TRP   4  -4.307   1.213   4.901
   34    HD1  TRP   4           HD1      TRP   4  -6.960   1.124   4.634
   35    HE1  TRP   4           HE1      TRP   4  -8.844  -0.735   4.719
   36    HE3  TRP   4           HE3      TRP   4  -3.816  -2.905   4.575
   37    HZ2  TRP   4           HZ2      TRP   4  -8.774  -3.573   4.706
   38    HZ3  TRP   4           HZ3      TRP   4  -4.790  -5.176   4.544
   39    HH2  TRP   4           HH2      TRP   4  -7.227  -5.509   4.624
   40    H    PHE   5           H        PHE   5  -4.715  -1.571   1.807
   41    HA   PHE   5           HA       PHE   5  -2.754  -3.647   1.705
   42    HB2  PHE   5          2HB       PHE   5  -5.285  -2.949   0.221
   43    HB3  PHE   5          1HB       PHE   5  -4.179  -3.717  -0.847
   44    HD1  PHE   5           HD1      PHE   5  -6.879  -4.546   1.006
   45    HD2  PHE   5           HD2      PHE   5  -2.788  -5.809   0.558
   46    HE1  PHE   5           HE1      PHE   5  -7.470  -6.790   1.820
   47    HE2  PHE   5           HE2      PHE   5  -3.386  -8.030   1.415
   48    HZ   PHE   5           HZ       PHE   5  -5.725  -8.530   2.046
   49    H    SER   6           H        SER   6  -3.039  -1.034  -0.666
   50    HA   SER   6           HA       SER   6  -0.482  -1.828  -2.095
   51    HB2  SER   6          2HB       SER   6  -2.381   0.570  -2.474
   52    HB3  SER   6          1HB       SER   6  -0.902   0.337  -3.407
   53    HG   SER   6           HG       SER   6  -1.765  -1.744  -4.040
   54    H    LYS   7           H        LYS   7  -1.495   0.645   0.253
   55    HA   LYS   7           HA       LYS   7   0.982   2.201   0.354
   56    HB2  LYS   7          2HB       LYS   7  -1.511   2.298   1.720
   57    HB3  LYS   7          1HB       LYS   7  -0.445   1.780   2.997
   58    HG2  LYS   7          2HG       LYS   7   1.087   3.837   2.302
   59    HG3  LYS   7          1HG       LYS   7  -0.213   4.283   1.222
   60    HD2  LYS   7          2HD       LYS   7  -0.790   5.585   3.011
   61    HD3  LYS   7          1HD       LYS   7  -1.805   4.204   3.372
   62    HE2  LYS   7          2HE       LYS   7  -0.343   3.403   5.162
   63    HE3  LYS   7          1HE       LYS   7   1.043   4.320   4.582
   64    HZ1  LYS   7          1HZ       LYS   7   0.015   5.503   6.493
   65    HZ2  LYS   7          2HZ       LYS   7  -0.160   6.426   5.150
   66    HZ3  LYS   7          3HZ       LYS   7  -1.444   5.596   5.736
   67    H    PHE   8           H        PHE   8   0.206  -0.841   1.973
   68    HA   PHE   8           HA       PHE   8   2.969  -0.982   3.179
   69    HB2  PHE   8          2HB       PHE   8   0.925  -1.847   4.444
   70    HB3  PHE   8          1HB       PHE   8   0.732  -3.082   3.227
   71    HD1  PHE   8           HD1      PHE   8   4.109  -1.987   4.682
   72    HD2  PHE   8           HD2      PHE   8   1.018  -4.996   4.654
   73    HE1  PHE   8           HE1      PHE   8   5.579  -3.511   5.872
   74    HE2  PHE   8           HE2      PHE   8   2.510  -6.500   5.904
   75    HZ   PHE   8           HZ       PHE   8   4.798  -5.770   6.497
   76    H    LEU   9           H        LEU   9   1.152  -3.104   0.855
   77    HA   LEU   9           HA       LEU   9   3.313  -4.726   0.023
   78    HB2  LEU   9          2HB       LEU   9   0.774  -4.834  -0.525
   79    HB3  LEU   9          1HB       LEU   9   1.085  -3.758  -1.846
   80    HG   LEU   9           HG       LEU   9   2.990  -6.034  -1.961
   81   HD11  LEU   9          1HD1      LEU   9   0.069  -6.861  -1.565
   82   HD12  LEU   9          2HD1      LEU   9   1.298  -7.889  -2.346
   83   HD13  LEU   9          3HD1      LEU   9   1.513  -7.384  -0.661
   84   HD21  LEU   9          1HD2      LEU   9   0.694  -5.129  -3.820
   85   HD22  LEU   9          2HD2      LEU   9   2.433  -4.769  -3.979
   86   HD23  LEU   9          3HD2      LEU   9   1.847  -6.424  -4.213
   87    H    GLY  10           H        GLY  10   2.607  -1.538  -1.426
   88    HA2  GLY  10          1HA       GLY  10   4.597  -1.250  -3.495
   89    HA3  GLY  10          2HA       GLY  10   4.122   0.025  -2.397
   90    H    ARG  11           H        ARG  11   5.156  -0.950  -0.014
   91    HA   ARG  11           HA       ARG  11   8.142  -0.471  -0.246
   92    HB2  ARG  11          2HB       ARG  11   6.232  -0.942   2.130
   93    HB3  ARG  11          1HB       ARG  11   7.952  -0.907   2.359
   94    HG2  ARG  11          2HG       ARG  11   6.495   1.471   1.041
   95    HG3  ARG  11          1HG       ARG  11   6.564   1.249   2.772
   96    HD2  ARG  11          2HD       ARG  11   9.286   0.944   2.190
   97    HD3  ARG  11          1HD       ARG  11   8.858   1.953   0.839
   98    HE   ARG  11           HE       ARG  11   8.914   2.690   3.760
   99   HH11  ARG  11          1HH1      ARG  11   7.226   5.372   1.323
  100   HH12  ARG  11          2HH1      ARG  11   7.578   3.676   0.723
  101   HH21  ARG  11          1HH2      ARG  11   7.741   5.843   3.355
  102   HH22  ARG  11          2HH2      ARG  11   8.510   4.593   4.433
  103    H    ILE  12           H        ILE  12   6.024  -3.215   0.621
  104    HA   ILE  12           HA       ILE  12   8.163  -5.143   1.265
  105    HB   ILE  12           HB       ILE  12   5.438  -5.889   0.076
  106   HG12  ILE  12          2HG1      ILE  12   6.034  -5.432   3.070
  107   HG13  ILE  12          1HG1      ILE  12   5.047  -4.413   2.072
  108   HG21  ILE  12          1HG2      ILE  12   7.204  -7.522   2.035
  109   HG22  ILE  12          2HG2      ILE  12   5.737  -8.076   1.200
  110   HG23  ILE  12          3HG2      ILE  12   7.201  -7.777   0.276
  111   HD11  ILE  12          1HD1      ILE  12   4.210  -6.814   3.475
  112   HD12  ILE  12          2HD1      ILE  12   3.213  -5.608   2.629
  113   HD13  ILE  12          3HD1      ILE  12   3.824  -7.015   1.752
  114    H    LEU  13           H        LEU  13   6.618  -4.358  -1.835
  115    HA   LEU  13           HA       LEU  13   8.045  -6.271  -3.541
  116    HB2  LEU  13          2HB       LEU  13   6.509  -3.646  -3.954
  117    HB3  LEU  13          1HB       LEU  13   7.426  -4.241  -5.282
  118    HG   LEU  13           HG       LEU  13   4.906  -4.802  -5.094
  119   HD11  LEU  13          1HD1      LEU  13   5.590  -5.904  -6.957
  120   HD12  LEU  13          2HD1      LEU  13   7.137  -6.414  -6.248
  121   HD13  LEU  13          3HD1      LEU  13   5.677  -7.380  -5.987
  122   HD21  LEU  13          1HD2      LEU  13   4.934  -5.822  -2.791
  123   HD22  LEU  13          2HD2      LEU  13   4.203  -6.878  -4.012
  124   HD23  LEU  13          3HD2      LEU  13   5.843  -7.202  -3.405
  125    HN1  NH2  14          1HN       NH2  14  10.691  -3.131  -3.640
  126    HN2  NH2  14          2HN       NH2  14   8.920  -2.722  -3.324
  Start of MODEL    6
    1    H1   PHE   1          1H        PHE   1 -11.160   8.026  -0.669
    2    H2   PHE   1          2H        PHE   1 -10.669   7.818   0.899
    3    H3   PHE   1          3H        PHE   1  -9.649   8.502  -0.197
    4    HA   PHE   1           HA       PHE   1 -10.603   5.671  -0.280
    5    HB2  PHE   1          2HB       PHE   1  -8.609   7.124  -2.161
    6    HB3  PHE   1          1HB       PHE   1  -8.877   5.407  -2.136
    7    HD1  PHE   1           HD1      PHE   1 -10.365   8.637  -3.125
    8    HD2  PHE   1           HD2      PHE   1 -10.997   4.378  -2.981
    9    HE1  PHE   1           HE1      PHE   1 -12.324   8.868  -4.589
   10    HE2  PHE   1           HE2      PHE   1 -12.937   4.627  -4.472
   11    HZ   PHE   1           HZ       PHE   1 -13.615   6.870  -5.266
   12    H    VAL   2           H        VAL   2  -9.442   4.363   1.046
   13    HA   VAL   2           HA       VAL   2  -6.571   5.163   1.789
   14    HB   VAL   2           HB       VAL   2  -8.466   3.892   3.815
   15   HG11  VAL   2          1HG1      VAL   2  -6.712   4.270   5.438
   16   HG12  VAL   2          2HG1      VAL   2  -5.896   3.532   4.053
   17   HG13  VAL   2          3HG1      VAL   2  -5.757   5.285   4.333
   18   HG21  VAL   2          1HG2      VAL   2  -7.909   6.876   3.358
   19   HG22  VAL   2          2HG2      VAL   2  -9.419   6.059   3.813
   20   HG23  VAL   2          3HG2      VAL   2  -8.145   6.290   5.019
   21    HA   JKH   3           HA       CAP   3  -6.535   0.737   0.157
   22    HD2  JKH   3          1HD       CAP   3  -7.060   4.178  -1.171
   23    HD3  JKH   3          2HD       CAP   3  -5.655   4.828  -0.303
   24    HB3  JKH   3          2HB       CAP   3  -4.806   1.010  -1.935
   25    HB2  JKH   3          1HB       CAP   3  -6.491   1.477  -2.059
   26    HG   JKH   3           HG       CAP   3  -5.494   3.516  -2.784
   27   HG22  JKH   3          1HG2      CAP   3  -3.510   4.438  -1.537
   28   HG21  JKH   3          2HG2      CAP   3  -3.481   3.045  -0.630
   29   HG23  JKH   3          3HG2      CAP   3  -3.178   2.975  -2.237
   30    H    TRP   4           H        TRP   4  -5.672   1.123   2.462
   31    HA   TRP   4           HA       TRP   4  -2.875   1.107   3.184
   32    HB2  TRP   4          1HB       TRP   4  -3.507  -0.341   5.130
   33    HB3  TRP   4          2HB       TRP   4  -4.405   1.136   4.957
   34    HD1  TRP   4           HD1      TRP   4  -7.044   1.019   4.630
   35    HE1  TRP   4           HE1      TRP   4  -8.905  -0.863   4.607
   36    HE3  TRP   4           HE3      TRP   4  -3.848  -2.968   4.509
   37    HZ2  TRP   4           HZ2      TRP   4  -8.799  -3.698   4.492
   38    HZ3  TRP   4           HZ3      TRP   4  -4.791  -5.248   4.374
   39    HH2  TRP   4           HH2      TRP   4  -7.227  -5.612   4.377
   40    H    PHE   5           H        PHE   5  -4.663  -1.550   1.772
   41    HA   PHE   5           HA       PHE   5  -2.676  -3.611   1.712
   42    HB2  PHE   5          2HB       PHE   5  -5.265  -3.278   0.644
   43    HB3  PHE   5          1HB       PHE   5  -4.352  -3.189  -0.818
   44    HD1  PHE   5           HD1      PHE   5  -2.474  -5.175  -1.105
   45    HD2  PHE   5           HD2      PHE   5  -5.898  -5.374   1.497
   46    HE1  PHE   5           HE1      PHE   5  -2.284  -7.627  -1.024
   47    HE2  PHE   5           HE2      PHE   5  -5.703  -7.823   1.553
   48    HZ   PHE   5           HZ       PHE   5  -3.890  -8.955   0.307
   49    H    SER   6           H        SER   6  -2.982  -0.951  -0.618
   50    HA   SER   6           HA       SER   6  -0.456  -1.668  -2.119
   51    HB2  SER   6          2HB       SER   6  -2.579  -0.564  -3.189
   52    HB3  SER   6          1HB       SER   6  -2.106   0.916  -2.351
   53    HG   SER   6           HG       SER   6  -0.813  -0.462  -4.436
   54    H    LYS   7           H        LYS   7  -1.446   0.738   0.309
   55    HA   LYS   7           HA       LYS   7   1.034   2.278   0.481
   56    HB2  LYS   7          2HB       LYS   7  -1.489   2.268   1.876
   57    HB3  LYS   7          1HB       LYS   7  -0.382   1.808   3.109
   58    HG2  LYS   7          2HG       LYS   7   0.886   4.087   1.820
   59    HG3  LYS   7          1HG       LYS   7  -0.818   4.414   1.715
   60    HD2  LYS   7          2HD       LYS   7  -0.339   5.411   3.787
   61    HD3  LYS   7          1HD       LYS   7  -0.954   3.867   4.297
   62    HE2  LYS   7          2HE       LYS   7   1.008   4.225   5.647
   63    HE3  LYS   7          1HE       LYS   7   1.487   2.988   4.485
   64    HZ1  LYS   7          1HZ       LYS   7   3.184   4.828   4.603
   65    HZ2  LYS   7          2HZ       LYS   7   2.522   4.795   3.099
   66    HZ3  LYS   7          3HZ       LYS   7   2.060   5.948   4.164
   67    H    PHE   8           H        PHE   8   0.254  -0.819   1.960
   68    HA   PHE   8           HA       PHE   8   3.014  -0.986   3.194
   69    HB2  PHE   8          2HB       PHE   8   0.980  -1.839   4.478
   70    HB3  PHE   8          1HB       PHE   8   0.747  -3.054   3.248
   71    HD1  PHE   8           HD1      PHE   8   1.024  -4.992   4.640
   72    HD2  PHE   8           HD2      PHE   8   4.164  -2.035   4.668
   73    HE1  PHE   8           HE1      PHE   8   2.505  -6.537   5.852
   74    HE2  PHE   8           HE2      PHE   8   5.623  -3.600   5.822
   75    HZ   PHE   8           HZ       PHE   8   4.812  -5.853   6.427
   76    H    LEU   9           H        LEU   9   1.134  -3.036   0.846
   77    HA   LEU   9           HA       LEU   9   3.262  -4.698  -0.003
   78    HB2  LEU   9          2HB       LEU   9   0.712  -4.757  -0.544
   79    HB3  LEU   9          1HB       LEU   9   1.045  -3.687  -1.866
   80    HG   LEU   9           HG       LEU   9   2.914  -5.989  -1.965
   81   HD11  LEU   9          1HD1      LEU   9   1.198  -7.149  -0.559
   82   HD12  LEU   9          2HD1      LEU   9  -0.012  -6.885  -1.840
   83   HD13  LEU   9          3HD1      LEU   9   1.429  -7.890  -2.153
   84   HD21  LEU   9          1HD2      LEU   9   2.317  -4.717  -3.998
   85   HD22  LEU   9          2HD2      LEU   9   1.767  -6.390  -4.212
   86   HD23  LEU   9          3HD2      LEU   9   0.591  -5.119  -3.816
   87    H    GLY  10           H        GLY  10   2.600  -1.485  -1.417
   88    HA2  GLY  10          1HA       GLY  10   4.577  -1.211  -3.500
   89    HA3  GLY  10          2HA       GLY  10   4.132   0.059  -2.384
   90    H    ARG  11           H        ARG  11   5.162  -0.955  -0.022
   91    HA   ARG  11           HA       ARG  11   8.151  -0.516  -0.267
   92    HB2  ARG  11          2HB       ARG  11   6.240  -0.970   2.110
   93    HB3  ARG  11          1HB       ARG  11   7.958  -0.979   2.337
   94    HG2  ARG  11          2HG       ARG  11   6.554   1.451   1.046
   95    HG3  ARG  11          1HG       ARG  11   6.639   1.207   2.775
   96    HD2  ARG  11          2HD       ARG  11   9.356   0.798   2.027
   97    HD3  ARG  11          1HD       ARG  11   8.835   1.959   0.799
   98    HE   ARG  11           HE       ARG  11   7.871   2.970   3.348
   99   HH11  ARG  11          1HH1      ARG  11  11.824   3.479   3.059
  100   HH12  ARG  11          2HH1      ARG  11  10.977   2.299   1.946
  101   HH21  ARG  11          1HH2      ARG  11  10.646   4.555   4.481
  102   HH22  ARG  11          2HH2      ARG  11   8.848   4.298   4.595
  103    H    ILE  12           H        ILE  12   6.008  -3.246   0.584
  104    HA   ILE  12           HA       ILE  12   8.131  -5.207   1.191
  105    HB   ILE  12           HB       ILE  12   5.388  -5.886   0.027
  106   HG12  ILE  12          2HG1      ILE  12   5.996  -5.475   3.016
  107   HG13  ILE  12          1HG1      ILE  12   5.012  -4.441   2.029
  108   HG21  ILE  12          1HG2      ILE  12   7.510  -7.692   0.631
  109   HG22  ILE  12          2HG2      ILE  12   6.508  -7.787   2.078
  110   HG23  ILE  12          3HG2      ILE  12   5.795  -8.098   0.486
  111   HD11  ILE  12          1HD1      ILE  12   4.165  -6.842   3.419
  112   HD12  ILE  12          2HD1      ILE  12   3.166  -5.651   2.553
  113   HD13  ILE  12          3HD1      ILE  12   3.809  -7.064   1.696
  114    H    LEU  13           H        LEU  13   6.530  -4.409  -1.889
  115    HA   LEU  13           HA       LEU  13   7.938  -6.295  -3.638
  116    HB2  LEU  13          2HB       LEU  13   6.483  -3.617  -4.005
  117    HB3  LEU  13          1HB       LEU  13   7.373  -4.234  -5.341
  118    HG   LEU  13           HG       LEU  13   4.833  -4.689  -5.168
  119   HD11  LEU  13          1HD1      LEU  13   6.364  -5.676  -6.934
  120   HD12  LEU  13          2HD1      LEU  13   6.614  -7.100  -5.891
  121   HD13  LEU  13          3HD1      LEU  13   4.992  -6.722  -6.525
  122   HD21  LEU  13          1HD2      LEU  13   4.808  -5.773  -2.881
  123   HD22  LEU  13          2HD2      LEU  13   4.070  -6.797  -4.128
  124   HD23  LEU  13          3HD2      LEU  13   5.698  -7.155  -3.513
  125    HN1  NH2  14          1HN       NH2  14  10.672  -3.247  -3.464
  126    HN2  NH2  14          2HN       NH2  14   8.947  -2.863  -2.950
  Start of MODEL    7
    1    H1   PHE   1          1H        PHE   1 -11.035   7.986  -1.125
    2    H2   PHE   1          2H        PHE   1 -10.305   8.401   0.305
    3    H3   PHE   1          3H        PHE   1  -9.399   8.208  -1.051
    4    HA   PHE   1           HA       PHE   1 -10.875   6.055   0.392
    5    HB2  PHE   1          2HB       PHE   1  -9.120   5.836  -2.155
    6    HB3  PHE   1          1HB       PHE   1  -9.776   4.476  -1.289
    7    HD1  PHE   1           HD1      PHE   1 -12.573   4.903  -0.750
    8    HD2  PHE   1           HD2      PHE   1 -10.285   6.090  -4.206
    9    HE1  PHE   1           HE1      PHE   1 -14.626   5.024  -2.079
   10    HE2  PHE   1           HE2      PHE   1 -12.353   6.169  -5.528
   11    HZ   PHE   1           HZ       PHE   1 -14.529   5.659  -4.467
   12    H    VAL   2           H        VAL   2  -9.496   4.323   1.181
   13    HA   VAL   2           HA       VAL   2  -6.622   5.173   1.827
   14    HB   VAL   2           HB       VAL   2  -8.446   3.893   3.914
   15   HG11  VAL   2          1HG1      VAL   2  -6.661   4.055   5.437
   16   HG12  VAL   2          2HG1      VAL   2  -5.735   3.736   3.965
   17   HG13  VAL   2          3HG1      VAL   2  -5.856   5.393   4.594
   18   HG21  VAL   2          1HG2      VAL   2  -9.333   6.196   3.638
   19   HG22  VAL   2          2HG2      VAL   2  -8.443   6.107   5.161
   20   HG23  VAL   2          3HG2      VAL   2  -7.705   6.893   3.738
   21    HA   JKH   3           HA       CAP   3  -6.632   0.707   0.266
   22    HD2  JKH   3          1HD       CAP   3  -7.278   4.103  -1.110
   23    HD3  JKH   3          2HD       CAP   3  -5.840   4.797  -0.337
   24    HB3  JKH   3          2HB       CAP   3  -5.007   0.951  -1.911
   25    HB2  JKH   3          1HB       CAP   3  -6.705   1.384  -1.966
   26    HG   JKH   3           HG       CAP   3  -5.791   3.423  -2.789
   27   HG22  JKH   3          1HG2      CAP   3  -3.755   4.402  -1.671
   28   HG21  JKH   3          2HG2      CAP   3  -3.656   3.014  -0.747
   29   HG23  JKH   3          3HG2      CAP   3  -3.445   2.935  -2.366
   30    H    TRP   4           H        TRP   4  -5.672   1.121   2.508
   31    HA   TRP   4           HA       TRP   4  -2.851   1.209   3.084
   32    HB2  TRP   4          1HB       TRP   4  -3.328  -0.202   5.104
   33    HB3  TRP   4          2HB       TRP   4  -4.292   1.236   4.940
   34    HD1  TRP   4           HD1      TRP   4  -6.939   1.005   4.714
   35    HE1  TRP   4           HE1      TRP   4  -8.721  -0.951   4.816
   36    HE3  TRP   4           HE3      TRP   4  -3.589  -2.856   4.587
   37    HZ2  TRP   4           HZ2      TRP   4  -8.503  -3.780   4.779
   38    HZ3  TRP   4           HZ3      TRP   4  -4.444  -5.174   4.554
   39    HH2  TRP   4           HH2      TRP   4  -6.860  -5.634   4.663
   40    H    PHE   5           H        PHE   5  -4.622  -1.547   1.836
   41    HA   PHE   5           HA       PHE   5  -2.581  -3.543   1.696
   42    HB2  PHE   5          2HB       PHE   5  -5.176  -2.987   0.329
   43    HB3  PHE   5          1HB       PHE   5  -4.064  -3.525  -0.866
   44    HD1  PHE   5           HD1      PHE   5  -2.472  -5.637  -0.000
   45    HD2  PHE   5           HD2      PHE   5  -6.454  -4.724   1.354
   46    HE1  PHE   5           HE1      PHE   5  -2.773  -7.970   0.713
   47    HE2  PHE   5           HE2      PHE   5  -6.750  -7.068   2.037
   48    HZ   PHE   5           HZ       PHE   5  -4.908  -8.693   1.734
   49    H    SER   6           H        SER   6  -2.996  -0.903  -0.635
   50    HA   SER   6           HA       SER   6  -0.476  -1.576  -2.159
   51    HB2  SER   6          2HB       SER   6  -2.355   0.855  -2.330
   52    HB3  SER   6          1HB       SER   6  -0.967   0.573  -3.391
   53    HG   SER   6           HG       SER   6  -3.203  -0.253  -4.028
   54    H    LYS   7           H        LYS   7  -1.389   0.771   0.362
   55    HA   LYS   7           HA       LYS   7   1.138   2.316   0.450
   56    HB2  LYS   7          2HB       LYS   7  -0.768   1.697   2.793
   57    HB3  LYS   7          1HB       LYS   7   0.553   2.831   2.830
   58    HG2  LYS   7          2HG       LYS   7  -0.574   4.075   0.836
   59    HG3  LYS   7          1HG       LYS   7  -2.009   3.103   1.157
   60    HD2  LYS   7          2HD       LYS   7  -2.270   4.019   3.422
   61    HD3  LYS   7          1HD       LYS   7  -0.656   4.730   3.403
   62    HE2  LYS   7          2HE       LYS   7  -1.324   6.290   1.509
   63    HE3  LYS   7          1HE       LYS   7  -2.964   5.629   1.531
   64    HZ1  LYS   7          1HZ       LYS   7  -2.777   7.677   2.958
   65    HZ2  LYS   7          2HZ       LYS   7  -3.159   6.390   3.911
   66    HZ3  LYS   7          3HZ       LYS   7  -1.630   6.969   3.892
   67    H    PHE   8           H        PHE   8   0.262  -0.764   1.986
   68    HA   PHE   8           HA       PHE   8   3.030  -1.005   3.156
   69    HB2  PHE   8          2HB       PHE   8   0.993  -1.837   4.431
   70    HB3  PHE   8          1HB       PHE   8   0.738  -3.040   3.191
   71    HD1  PHE   8           HD1      PHE   8   0.961  -4.962   4.626
   72    HD2  PHE   8           HD2      PHE   8   4.205  -2.119   4.546
   73    HE1  PHE   8           HE1      PHE   8   2.422  -6.553   5.801
   74    HE2  PHE   8           HE2      PHE   8   5.639  -3.726   5.666
   75    HZ   PHE   8           HZ       PHE   8   4.768  -5.948   6.306
   76    H    LEU   9           H        LEU   9   1.133  -2.972   0.759
   77    HA   LEU   9           HA       LEU   9   3.230  -4.677  -0.095
   78    HB2  LEU   9          2HB       LEU   9   0.696  -4.681  -0.660
   79    HB3  LEU   9          1HB       LEU   9   1.047  -3.575  -1.949
   80    HG   LEU   9           HG       LEU   9   2.878  -5.919  -2.084
   81   HD11  LEU   9          1HD1      LEU   9  -0.074  -6.733  -2.099
   82   HD12  LEU   9          2HD1      LEU   9   1.357  -7.766  -2.367
   83   HD13  LEU   9          3HD1      LEU   9   1.068  -7.056  -0.769
   84   HD21  LEU   9          1HD2      LEU   9   0.664  -4.862  -3.969
   85   HD22  LEU   9          2HD2      LEU   9   2.419  -4.586  -4.094
   86   HD23  LEU   9          3HD2      LEU   9   1.752  -6.205  -4.378
   87    H    GLY  10           H        GLY  10   2.642  -1.432  -1.468
   88    HA2  GLY  10          1HA       GLY  10   4.653  -1.153  -3.518
   89    HA3  GLY  10          2HA       GLY  10   4.230   0.101  -2.373
   90    H    ARG  11           H        ARG  11   5.198  -1.063  -0.022
   91    HA   ARG  11           HA       ARG  11   8.195  -0.695  -0.295
   92    HB2  ARG  11          2HB       ARG  11   6.496  -1.207   2.233
   93    HB3  ARG  11          1HB       ARG  11   8.205  -0.853   2.217
   94    HG2  ARG  11          2HG       ARG  11   5.921   1.065   1.439
   95    HG3  ARG  11          1HG       ARG  11   6.914   1.134   2.864
   96    HD2  ARG  11          2HD       ARG  11   8.814   1.215   0.615
   97    HD3  ARG  11          1HD       ARG  11   7.441   2.133   0.082
   98    HE   ARG  11           HE       ARG  11   8.116   3.889   1.574
   99   HH11  ARG  11          1HH1      ARG  11  10.456   1.742   4.028
  100   HH12  ARG  11          2HH1      ARG  11   9.459   0.921   2.728
  101   HH21  ARG  11          1HH2      ARG  11  10.312   3.878   4.175
  102   HH22  ARG  11          2HH2      ARG  11   9.242   4.829   3.045
  103    H    ILE  12           H        ILE  12   5.993  -3.331   0.573
  104    HA   ILE  12           HA       ILE  12   8.043  -5.368   1.173
  105    HB   ILE  12           HB       ILE  12   5.296  -5.947  -0.059
  106   HG12  ILE  12          2HG1      ILE  12   5.887  -5.601   2.950
  107   HG13  ILE  12          1HG1      ILE  12   4.951  -4.516   1.972
  108   HG21  ILE  12          1HG2      ILE  12   6.963  -7.917   0.085
  109   HG22  ILE  12          2HG2      ILE  12   6.978  -7.718   1.852
  110   HG23  ILE  12          3HG2      ILE  12   5.486  -8.179   1.002
  111   HD11  ILE  12          1HD1      ILE  12   3.607  -7.028   1.558
  112   HD12  ILE  12          2HD1      ILE  12   4.013  -6.940   3.287
  113   HD13  ILE  12          3HD1      ILE  12   3.072  -5.642   2.516
  114    H    LEU  13           H        LEU  13   6.521  -4.449  -1.914
  115    HA   LEU  13           HA       LEU  13   7.929  -6.309  -3.685
  116    HB2  LEU  13          2HB       LEU  13   6.540  -3.590  -4.013
  117    HB3  LEU  13          1HB       LEU  13   7.431  -4.208  -5.350
  118    HG   LEU  13           HG       LEU  13   4.863  -4.626  -5.191
  119   HD11  LEU  13          1HD1      LEU  13   6.046  -5.526  -7.073
  120   HD12  LEU  13          2HD1      LEU  13   6.883  -6.760  -6.096
  121   HD13  LEU  13          3HD1      LEU  13   5.139  -6.902  -6.424
  122   HD21  LEU  13          1HD2      LEU  13   5.691  -7.144  -3.606
  123   HD22  LEU  13          2HD2      LEU  13   4.822  -5.764  -2.936
  124   HD23  LEU  13          3HD2      LEU  13   4.070  -6.736  -4.211
  125    HN1  NH2  14          1HN       NH2  14  10.802  -3.473  -3.210
  126    HN2  NH2  14          2HN       NH2  14   9.140  -3.130  -2.513
  Start of MODEL    8
    1    H1   PHE   1          1H        PHE   1 -11.269   7.333  -0.148
    2    H2   PHE   1          2H        PHE   1 -10.776   6.410   1.125
    3    H3   PHE   1          3H        PHE   1 -10.223   7.953   0.968
    4    HA   PHE   1           HA       PHE   1  -9.596   5.714  -0.933
    5    HB2  PHE   1          2HB       PHE   1  -8.810   8.704  -0.964
    6    HB3  PHE   1          1HB       PHE   1  -7.853   7.498  -1.750
    7    HD1  PHE   1           HD1      PHE   1 -11.524   8.550  -1.665
    8    HD2  PHE   1           HD2      PHE   1  -8.231   7.095  -4.038
    9    HE1  PHE   1           HE1      PHE   1 -12.946   8.549  -3.648
   10    HE2  PHE   1           HE2      PHE   1  -9.660   7.184  -6.035
   11    HZ   PHE   1           HZ       PHE   1 -12.023   7.887  -5.843
   12    H    VAL   2           H        VAL   2  -9.089   4.490   1.037
   13    HA   VAL   2           HA       VAL   2  -6.259   5.149   2.024
   14    HB   VAL   2           HB       VAL   2  -8.353   3.846   3.822
   15   HG11  VAL   2          1HG1      VAL   2  -5.681   3.513   4.126
   16   HG12  VAL   2          2HG1      VAL   2  -5.753   5.141   4.827
   17   HG13  VAL   2          3HG1      VAL   2  -6.719   3.823   5.522
   18   HG21  VAL   2          1HG2      VAL   2  -8.279   6.021   5.207
   19   HG22  VAL   2          2HG2      VAL   2  -7.466   6.809   3.829
   20   HG23  VAL   2          3HG2      VAL   2  -9.115   6.176   3.656
   21    HA   JKH   3           HA       CAP   3  -6.391   0.847   0.129
   22    HD2  JKH   3          1HD       CAP   3  -6.670   4.345  -1.028
   23    HD3  JKH   3          2HD       CAP   3  -5.274   4.894  -0.078
   24    HB3  JKH   3          2HB       CAP   3  -4.551   1.129  -1.878
   25    HB2  JKH   3          1HB       CAP   3  -6.201   1.695  -2.044
   26    HG   JKH   3           HG       CAP   3  -5.073   3.709  -2.614
   27   HG22  JKH   3          1HG2      CAP   3  -3.092   4.443  -1.265
   28   HG21  JKH   3          2HG2      CAP   3  -3.184   3.009  -0.415
   29   HG23  JKH   3          3HG2      CAP   3  -2.818   2.990  -2.009
   30    H    TRP   4           H        TRP   4  -5.592   1.020   2.490
   31    HA   TRP   4           HA       TRP   4  -2.834   0.842   3.314
   32    HB2  TRP   4          1HB       TRP   4  -3.602  -0.681   5.146
   33    HB3  TRP   4          2HB       TRP   4  -4.447   0.831   5.015
   34    HD1  TRP   4           HD1      TRP   4  -7.075   0.814   4.526
   35    HE1  TRP   4           HE1      TRP   4  -8.981  -1.011   4.298
   36    HE3  TRP   4           HE3      TRP   4  -3.983  -3.251   4.412
   37    HZ2  TRP   4           HZ2      TRP   4  -8.938  -3.838   4.035
   38    HZ3  TRP   4           HZ3      TRP   4  -4.972  -5.494   4.097
   39    HH2  TRP   4           HH2      TRP   4  -7.411  -5.788   3.920
   40    H    PHE   5           H        PHE   5  -4.663  -1.697   1.720
   41    HA   PHE   5           HA       PHE   5  -2.667  -3.777   1.536
   42    HB2  PHE   5          2HB       PHE   5  -3.940  -4.668  -0.278
   43    HB3  PHE   5          1HB       PHE   5  -5.048  -4.045   0.893
   44    HD1  PHE   5           HD1      PHE   5  -6.485  -1.995   0.329
   45    HD2  PHE   5           HD2      PHE   5  -3.752  -3.662  -2.547
   46    HE1  PHE   5           HE1      PHE   5  -7.505  -0.630  -1.454
   47    HE2  PHE   5           HE2      PHE   5  -4.746  -2.251  -4.298
   48    HZ   PHE   5           HZ       PHE   5  -6.603  -0.716  -3.753
   49    H    SER   6           H        SER   6  -3.094  -1.092  -0.764
   50    HA   SER   6           HA       SER   6  -0.554  -1.742  -2.228
   51    HB2  SER   6          2HB       SER   6  -2.964  -0.426  -2.979
   52    HB3  SER   6          1HB       SER   6  -1.838   0.907  -2.850
   53    HG   SER   6           HG       SER   6  -1.997  -0.982  -4.731
   54    H    LYS   7           H        LYS   7  -1.532   0.778   0.036
   55    HA   LYS   7           HA       LYS   7   0.953   2.369   0.184
   56    HB2  LYS   7          2HB       LYS   7  -1.503   1.939   1.936
   57    HB3  LYS   7          1HB       LYS   7  -0.085   2.375   2.818
   58    HG2  LYS   7          2HG       LYS   7   0.277   4.407   1.420
   59    HG3  LYS   7          1HG       LYS   7  -1.151   4.036   0.463
   60    HD2  LYS   7          2HD       LYS   7  -2.639   4.243   2.440
   61    HD3  LYS   7          1HD       LYS   7  -1.302   4.359   3.548
   62    HE2  LYS   7          2HE       LYS   7  -1.538   6.461   1.280
   63    HE3  LYS   7          1HE       LYS   7  -2.640   6.567   2.644
   64    HZ1  LYS   7          1HZ       LYS   7  -0.511   7.841   3.050
   65    HZ2  LYS   7          2HZ       LYS   7  -0.719   6.674   4.185
   66    HZ3  LYS   7          3HZ       LYS   7   0.362   6.448   2.979
   67    H    PHE   8           H        PHE   8   0.091  -0.696   1.793
   68    HA   PHE   8           HA       PHE   8   2.835  -0.783   3.037
   69    HB2  PHE   8          2HB       PHE   8   0.807  -1.593   4.334
   70    HB3  PHE   8          1HB       PHE   8   0.608  -2.879   3.171
   71    HD1  PHE   8           HD1      PHE   8   0.868  -4.687   4.745
   72    HD2  PHE   8           HD2      PHE   8   4.040  -1.775   4.479
   73    HE1  PHE   8           HE1      PHE   8   2.367  -6.160   6.023
   74    HE2  PHE   8           HE2      PHE   8   5.510  -3.266   5.703
   75    HZ   PHE   8           HZ       PHE   8   4.696  -5.463   6.487
   76    H    LEU   9           H        LEU   9   1.035  -2.938   0.724
   77    HA   LEU   9           HA       LEU   9   3.199  -4.621   0.004
   78    HB2  LEU   9          2HB       LEU   9   0.678  -4.735  -0.602
   79    HB3  LEU   9          1HB       LEU   9   1.020  -3.697  -1.948
   80    HG   LEU   9           HG       LEU   9   2.917  -5.983  -1.912
   81   HD11  LEU   9          1HD1      LEU   9   1.506  -7.906  -2.037
   82   HD12  LEU   9          2HD1      LEU   9   1.076  -7.068  -0.537
   83   HD13  LEU   9          3HD1      LEU   9   0.010  -6.938  -1.958
   84   HD21  LEU   9          1HD2      LEU   9   2.384  -4.758  -4.001
   85   HD22  LEU   9          2HD2      LEU   9   1.873  -6.447  -4.195
   86   HD23  LEU   9          3HD2      LEU   9   0.660  -5.189  -3.877
   87    H    GLY  10           H        GLY  10   2.551  -1.464  -1.548
   88    HA2  GLY  10          1HA       GLY  10   4.595  -1.245  -3.567
   89    HA3  GLY  10          2HA       GLY  10   4.112   0.060  -2.507
   90    H    ARG  11           H        ARG  11   5.072  -0.860  -0.081
   91    HA   ARG  11           HA       ARG  11   8.067  -0.435  -0.255
   92    HB2  ARG  11          2HB       ARG  11   6.088  -0.784   2.084
   93    HB3  ARG  11          1HB       ARG  11   7.800  -0.777   2.359
   94    HG2  ARG  11          2HG       ARG  11   6.443   1.580   0.897
   95    HG3  ARG  11          1HG       ARG  11   6.443   1.432   2.633
   96    HD2  ARG  11          2HD       ARG  11   9.214   0.969   1.890
   97    HD3  ARG  11          1HD       ARG  11   8.675   2.211   0.757
   98    HE   ARG  11           HE       ARG  11   7.719   3.086   3.332
   99   HH11  ARG  11          1HH1      ARG  11  11.690   3.497   3.182
  100   HH12  ARG  11          2HH1      ARG  11  10.849   2.386   1.997
  101   HH21  ARG  11          1HH2      ARG  11  10.496   4.550   4.610
  102   HH22  ARG  11          2HH2      ARG  11   8.689   4.337   4.656
  103    H    ILE  12           H        ILE  12   5.895  -3.127   0.647
  104    HA   ILE  12           HA       ILE  12   7.988  -5.069   1.386
  105    HB   ILE  12           HB       ILE  12   5.284  -5.808   0.147
  106   HG12  ILE  12          2HG1      ILE  12   5.815  -5.281   3.141
  107   HG13  ILE  12          1HG1      ILE  12   4.864  -4.279   2.092
  108   HG21  ILE  12          1HG2      ILE  12   6.989  -7.417   2.178
  109   HG22  ILE  12          2HG2      ILE  12   5.521  -7.968   1.342
  110   HG23  ILE  12          3HG2      ILE  12   7.000  -7.718   0.425
  111   HD11  ILE  12          1HD1      ILE  12   3.011  -5.431   2.677
  112   HD12  ILE  12          2HD1      ILE  12   3.597  -6.846   1.796
  113   HD13  ILE  12          3HD1      ILE  12   3.979  -6.659   3.522
  114    H    LEU  13           H        LEU  13   6.501  -4.382  -1.773
  115    HA   LEU  13           HA       LEU  13   7.976  -6.320  -3.400
  116    HB2  LEU  13          2HB       LEU  13   6.512  -3.672  -3.920
  117    HB3  LEU  13          1HB       LEU  13   7.447  -4.336  -5.204
  118    HG   LEU  13           HG       LEU  13   4.891  -4.832  -5.054
  119   HD11  LEU  13          1HD1      LEU  13   7.066  -6.808  -5.898
  120   HD12  LEU  13          2HD1      LEU  13   5.358  -7.272  -6.057
  121   HD13  LEU  13          3HD1      LEU  13   5.957  -5.830  -6.890
  122   HD21  LEU  13          1HD2      LEU  13   5.774  -7.215  -3.304
  123   HD22  LEU  13          2HD2      LEU  13   4.858  -5.818  -2.737
  124   HD23  LEU  13          3HD2      LEU  13   4.151  -6.894  -3.954
  125    HN1  NH2  14          1HN       NH2  14  10.730  -3.323  -3.153
  126    HN2  NH2  14          2HN       NH2  14   9.014  -2.943  -2.618
  Start of MODEL    9
    1    H1   PHE   1          1H        PHE   1 -11.371   7.545  -0.225
    2    H2   PHE   1          2H        PHE   1 -10.956   6.696   1.127
    3    H3   PHE   1          3H        PHE   1 -10.251   8.150   0.828
    4    HA   PHE   1           HA       PHE   1  -9.890   5.680  -0.816
    5    HB2  PHE   1          2HB       PHE   1  -9.887   7.867  -2.140
    6    HB3  PHE   1          1HB       PHE   1  -8.576   8.452  -1.146
    7    HD1  PHE   1           HD1      PHE   1  -6.319   8.025  -1.911
    8    HD2  PHE   1           HD2      PHE   1  -9.495   5.507  -3.368
    9    HE1  PHE   1           HE1      PHE   1  -4.768   6.965  -3.502
   10    HE2  PHE   1           HE2      PHE   1  -7.923   4.440  -4.924
   11    HZ   PHE   1           HZ       PHE   1  -5.567   5.177  -5.013
   12    H    VAL   2           H        VAL   2  -9.152   4.400   0.914
   13    HA   VAL   2           HA       VAL   2  -6.377   5.163   1.951
   14    HB   VAL   2           HB       VAL   2  -8.423   3.840   3.786
   15   HG11  VAL   2          1HG1      VAL   2  -5.589   3.792   3.971
   16   HG12  VAL   2          2HG1      VAL   2  -6.006   5.143   5.031
   17   HG13  VAL   2          3HG1      VAL   2  -6.723   3.546   5.303
   18   HG21  VAL   2          1HG2      VAL   2  -8.389   6.003   5.154
   19   HG22  VAL   2          2HG2      VAL   2  -7.555   6.805   3.794
   20   HG23  VAL   2          3HG2      VAL   2  -9.200   6.165   3.591
   21    HA   JKH   3           HA       CAP   3  -6.411   0.841   0.099
   22    HD2  JKH   3          1HD       CAP   3  -6.743   4.328  -1.071
   23    HD3  JKH   3          2HD       CAP   3  -5.366   4.911  -0.117
   24    HB3  JKH   3          2HB       CAP   3  -4.565   1.147  -1.901
   25    HB2  JKH   3          1HB       CAP   3  -6.221   1.690  -2.074
   26    HG   JKH   3           HG       CAP   3  -5.109   3.709  -2.637
   27   HG22  JKH   3          1HG2      CAP   3  -3.161   4.495  -1.266
   28   HG21  JKH   3          2HG2      CAP   3  -3.231   3.069  -0.413
   29   HG23  JKH   3          3HG2      CAP   3  -2.847   3.046  -2.002
   30    H    TRP   4           H        TRP   4  -5.596   1.050   2.469
   31    HA   TRP   4           HA       TRP   4  -2.828   0.907   3.260
   32    HB2  TRP   4          1HB       TRP   4  -3.573  -0.607   5.126
   33    HB3  TRP   4          2HB       TRP   4  -4.446   0.889   4.981
   34    HD1  TRP   4           HD1      TRP   4  -7.074   0.818   4.500
   35    HE1  TRP   4           HE1      TRP   4  -8.949  -1.041   4.297
   36    HE3  TRP   4           HE3      TRP   4  -3.915  -3.199   4.422
   37    HZ2  TRP   4           HZ2      TRP   4  -8.862  -3.869   4.063
   38    HZ3  TRP   4           HZ3      TRP   4  -4.870  -5.460   4.134
   39    HH2  TRP   4           HH2      TRP   4  -7.305  -5.795   3.965
   40    H    PHE   5           H        PHE   5  -4.636  -1.671   1.709
   41    HA   PHE   5           HA       PHE   5  -2.620  -3.736   1.560
   42    HB2  PHE   5          2HB       PHE   5  -3.877  -4.664  -0.249
   43    HB3  PHE   5          1HB       PHE   5  -4.994  -4.044   0.917
   44    HD1  PHE   5           HD1      PHE   5  -6.454  -2.014   0.334
   45    HD2  PHE   5           HD2      PHE   5  -3.704  -3.675  -2.528
   46    HE1  PHE   5           HE1      PHE   5  -7.486  -0.672  -1.460
   47    HE2  PHE   5           HE2      PHE   5  -4.707  -2.286  -4.289
   48    HZ   PHE   5           HZ       PHE   5  -6.581  -0.767  -3.757
   49    H    SER   6           H        SER   6  -3.076  -1.096  -0.791
   50    HA   SER   6           HA       SER   6  -0.537  -1.731  -2.253
   51    HB2  SER   6          2HB       SER   6  -2.886  -0.531  -3.089
   52    HB3  SER   6          1HB       SER   6  -1.955   0.917  -2.738
   53    HG   SER   6           HG       SER   6  -1.702  -0.018  -4.892
   54    H    LYS   7           H        LYS   7  -1.523   0.740   0.044
   55    HA   LYS   7           HA       LYS   7   0.949   2.339   0.156
   56    HB2  LYS   7          2HB       LYS   7  -1.635   2.358   1.495
   57    HB3  LYS   7          1HB       LYS   7  -0.539   2.061   2.770
   58    HG2  LYS   7          2HG       LYS   7   0.161   4.319   0.804
   59    HG3  LYS   7          1HG       LYS   7  -1.240   4.559   1.798
   60    HD2  LYS   7          2HD       LYS   7   1.326   3.613   3.192
   61    HD3  LYS   7          1HD       LYS   7   1.327   5.221   2.557
   62    HE2  LYS   7          2HE       LYS   7  -1.212   4.624   4.141
   63    HE3  LYS   7          1HE       LYS   7   0.229   4.324   5.084
   64    HZ1  LYS   7          1HZ       LYS   7  -0.503   6.733   5.208
   65    HZ2  LYS   7          2HZ       LYS   7   1.014   6.617   4.590
   66    HZ3  LYS   7          3HZ       LYS   7  -0.247   6.913   3.592
   67    H    PHE   8           H        PHE   8   0.108  -0.692   1.787
   68    HA   PHE   8           HA       PHE   8   2.848  -0.781   3.051
   69    HB2  PHE   8          2HB       PHE   8   0.815  -1.607   4.333
   70    HB3  PHE   8          1HB       PHE   8   0.611  -2.872   3.149
   71    HD1  PHE   8           HD1      PHE   8   0.832  -4.691   4.720
   72    HD2  PHE   8           HD2      PHE   8   4.055  -1.836   4.462
   73    HE1  PHE   8           HE1      PHE   8   2.306  -6.196   5.991
   74    HE2  PHE   8           HE2      PHE   8   5.501  -3.359   5.681
   75    HZ   PHE   8           HZ       PHE   8   4.646  -5.543   6.457
   76    H    LEU   9           H        LEU   9   1.052  -2.913   0.707
   77    HA   LEU   9           HA       LEU   9   3.202  -4.619  -0.005
   78    HB2  LEU   9          2HB       LEU   9   0.692  -4.705  -0.622
   79    HB3  LEU   9          1HB       LEU   9   1.040  -3.646  -1.951
   80    HG   LEU   9           HG       LEU   9   2.908  -5.963  -1.964
   81   HD11  LEU   9          1HD1      LEU   9   1.206  -7.144  -0.645
   82   HD12  LEU   9          2HD1      LEU   9  -0.049  -6.763  -1.850
   83   HD13  LEU   9          3HD1      LEU   9   1.320  -7.823  -2.279
   84   HD21  LEU   9          1HD2      LEU   9   2.421  -4.697  -4.029
   85   HD22  LEU   9          2HD2      LEU   9   1.845  -6.359  -4.256
   86   HD23  LEU   9          3HD2      LEU   9   0.680  -5.061  -3.917
   87    H    GLY  10           H        GLY  10   2.600  -1.448  -1.547
   88    HA2  GLY  10          1HA       GLY  10   4.655  -1.230  -3.550
   89    HA3  GLY  10          2HA       GLY  10   4.193   0.067  -2.472
   90    H    ARG  11           H        ARG  11   5.129  -0.901  -0.063
   91    HA   ARG  11           HA       ARG  11   8.134  -0.519  -0.227
   92    HB2  ARG  11          2HB       ARG  11   6.134  -0.827   2.099
   93    HB3  ARG  11          1HB       ARG  11   7.846  -0.839   2.377
   94    HG2  ARG  11          2HG       ARG  11   6.617   1.519   0.809
   95    HG3  ARG  11          1HG       ARG  11   6.403   1.425   2.525
   96    HD2  ARG  11          2HD       ARG  11   9.295   0.922   1.991
   97    HD3  ARG  11          1HD       ARG  11   8.794   2.233   0.971
   98    HE   ARG  11           HE       ARG  11   8.707   3.652   2.894
   99   HH11  ARG  11          1HH1      ARG  11   8.223   0.884   5.754
  100   HH12  ARG  11          2HH1      ARG  11   8.268   0.404   3.985
  101   HH21  ARG  11          1HH2      ARG  11   8.425   2.965   6.214
  102   HH22  ARG  11          2HH2      ARG  11   8.643   4.205   4.896
  103    H    ILE  12           H        ILE  12   5.913  -3.175   0.644
  104    HA   ILE  12           HA       ILE  12   7.977  -5.151   1.407
  105    HB   ILE  12           HB       ILE  12   5.281  -5.827   0.136
  106   HG12  ILE  12          2HG1      ILE  12   5.755  -5.319   3.136
  107   HG13  ILE  12          1HG1      ILE  12   4.821  -4.318   2.069
  108   HG21  ILE  12          1HG2      ILE  12   6.375  -7.639   2.311
  109   HG22  ILE  12          2HG2      ILE  12   5.571  -8.027   0.780
  110   HG23  ILE  12          3HG2      ILE  12   7.299  -7.664   0.807
  111   HD11  ILE  12          1HD1      ILE  12   3.918  -6.696   3.495
  112   HD12  ILE  12          2HD1      ILE  12   2.955  -5.488   2.613
  113   HD13  ILE  12          3HD1      ILE  12   3.586  -6.911   1.763
  114    H    LEU  13           H        LEU  13   6.544  -4.380  -1.760
  115    HA   LEU  13           HA       LEU  13   7.972  -6.358  -3.386
  116    HB2  LEU  13          2HB       LEU  13   6.558  -3.684  -3.903
  117    HB3  LEU  13          1HB       LEU  13   7.492  -4.352  -5.183
  118    HG   LEU  13           HG       LEU  13   4.936  -4.792  -5.074
  119   HD11  LEU  13          1HD1      LEU  13   5.178  -6.969  -6.295
  120   HD12  LEU  13          2HD1      LEU  13   6.397  -5.789  -6.812
  121   HD13  LEU  13          3HD1      LEU  13   6.857  -7.118  -5.715
  122   HD21  LEU  13          1HD2      LEU  13   4.136  -6.856  -3.995
  123   HD22  LEU  13          2HD2      LEU  13   5.748  -7.218  -3.337
  124   HD23  LEU  13          3HD2      LEU  13   4.859  -5.812  -2.756
  125    HN1  NH2  14          1HN       NH2  14  10.719  -3.303  -3.423
  126    HN2  NH2  14          2HN       NH2  14   8.953  -2.838  -3.162
  Start of MODEL   10
    1    H1   PHE   1          1H        PHE   1 -11.460   7.206  -0.165
    2    H2   PHE   1          2H        PHE   1 -10.964   6.266   1.096
    3    H3   PHE   1          3H        PHE   1 -10.475   7.833   1.001
    4    HA   PHE   1           HA       PHE   1  -9.692   5.678  -0.935
    5    HB2  PHE   1          2HB       PHE   1  -9.141   8.717  -0.893
    6    HB3  PHE   1          1HB       PHE   1  -7.999   7.634  -1.604
    7    HD1  PHE   1           HD1      PHE   1 -11.702   8.442  -1.825
    8    HD2  PHE   1           HD2      PHE   1  -8.200   6.977  -3.867
    9    HE1  PHE   1           HE1      PHE   1 -12.967   8.307  -3.917
   10    HE2  PHE   1           HE2      PHE   1  -9.474   6.908  -5.967
   11    HZ   PHE   1           HZ       PHE   1 -11.860   7.556  -5.996
   12    H    VAL   2           H        VAL   2  -9.162   4.421   1.008
   13    HA   VAL   2           HA       VAL   2  -6.362   5.159   1.997
   14    HB   VAL   2           HB       VAL   2  -8.387   3.834   3.847
   15   HG11  VAL   2          1HG1      VAL   2  -5.561   3.798   3.996
   16   HG12  VAL   2          2HG1      VAL   2  -5.968   5.152   5.059
   17   HG13  VAL   2          3HG1      VAL   2  -6.680   3.554   5.339
   18   HG21  VAL   2          1HG2      VAL   2  -7.759   6.820   3.579
   19   HG22  VAL   2          2HG2      VAL   2  -9.305   6.004   3.891
   20   HG23  VAL   2          3HG2      VAL   2  -8.113   6.152   5.190
   21    HA   JKH   3           HA       CAP   3  -6.402   0.849   0.150
   22    HD2  JKH   3          1HD       CAP   3  -6.752   4.350  -1.023
   23    HD3  JKH   3          2HD       CAP   3  -5.352   4.915  -0.090
   24    HB3  JKH   3          2HB       CAP   3  -4.644   1.150  -1.895
   25    HB2  JKH   3          1HB       CAP   3  -6.288   1.718  -2.021
   26    HG   JKH   3           HG       CAP   3  -5.164   3.726  -2.626
   27   HG22  JKH   3          1HG2      CAP   3  -3.154   4.464  -1.313
   28   HG21  JKH   3          2HG2      CAP   3  -3.232   3.028  -0.462
   29   HG23  JKH   3          3HG2      CAP   3  -2.895   3.007  -2.055
   30    H    TRP   4           H        TRP   4  -5.593   1.037   2.482
   31    HA   TRP   4           HA       TRP   4  -2.831   0.920   3.299
   32    HB2  TRP   4          1HB       TRP   4  -3.554  -0.609   5.134
   33    HB3  TRP   4          2HB       TRP   4  -4.431   0.886   5.001
   34    HD1  TRP   4           HD1      TRP   4  -7.061   0.814   4.529
   35    HE1  TRP   4           HE1      TRP   4  -8.930  -1.052   4.325
   36    HE3  TRP   4           HE3      TRP   4  -3.885  -3.184   4.413
   37    HZ2  TRP   4           HZ2      TRP   4  -8.830  -3.880   4.081
   38    HZ3  TRP   4           HZ3      TRP   4  -4.828  -5.450   4.125
   39    HH2  TRP   4           HH2      TRP   4  -7.263  -5.798   3.969
   40    H    PHE   5           H        PHE   5  -4.609  -1.655   1.700
   41    HA   PHE   5           HA       PHE   5  -2.571  -3.692   1.525
   42    HB2  PHE   5          2HB       PHE   5  -3.838  -4.626  -0.273
   43    HB3  PHE   5          1HB       PHE   5  -4.948  -4.016   0.904
   44    HD1  PHE   5           HD1      PHE   5  -6.437  -2.007   0.336
   45    HD2  PHE   5           HD2      PHE   5  -3.682  -3.622  -2.546
   46    HE1  PHE   5           HE1      PHE   5  -7.486  -0.661  -1.444
   47    HE2  PHE   5           HE2      PHE   5  -4.694  -2.219  -4.292
   48    HZ   PHE   5           HZ       PHE   5  -6.584  -0.725  -3.744
   49    H    SER   6           H        SER   6  -3.062  -1.069  -0.840
   50    HA   SER   6           HA       SER   6  -0.494  -1.599  -2.300
   51    HB2  SER   6          2HB       SER   6  -2.140  -0.806  -3.731
   52    HB3  SER   6          1HB       SER   6  -2.827   0.327  -2.589
   53    HG   SER   6           HG       SER   6  -1.278   0.985  -4.488
   54    H    LYS   7           H        LYS   7  -1.488   0.865   0.039
   55    HA   LYS   7           HA       LYS   7   1.019   2.416   0.231
   56    HB2  LYS   7          2HB       LYS   7  -1.398   1.888   2.024
   57    HB3  LYS   7          1HB       LYS   7  -0.003   2.461   2.830
   58    HG2  LYS   7          2HG       LYS   7  -0.585   4.116   0.382
   59    HG3  LYS   7          1HG       LYS   7  -1.958   4.017   1.480
   60    HD2  LYS   7          2HD       LYS   7  -0.388   4.708   3.428
   61    HD3  LYS   7          1HD       LYS   7   0.910   4.840   2.269
   62    HE2  LYS   7          2HE       LYS   7   0.250   7.085   2.434
   63    HE3  LYS   7          1HE       LYS   7  -0.581   6.600   0.965
   64    HZ1  LYS   7          1HZ       LYS   7  -2.172   7.737   2.499
   65    HZ2  LYS   7          2HZ       LYS   7  -2.624   6.153   2.444
   66    HZ3  LYS   7          3HZ       LYS   7  -1.805   6.723   3.735
   67    H    PHE   8           H        PHE   8   0.128  -0.661   1.801
   68    HA   PHE   8           HA       PHE   8   2.867  -0.800   3.046
   69    HB2  PHE   8          2HB       PHE   8   0.822  -1.603   4.319
   70    HB3  PHE   8          1HB       PHE   8   0.607  -2.865   3.132
   71    HD1  PHE   8           HD1      PHE   8   4.061  -1.860   4.451
   72    HD2  PHE   8           HD2      PHE   8   0.814  -4.689   4.701
   73    HE1  PHE   8           HE1      PHE   8   5.495  -3.399   5.656
   74    HE2  PHE   8           HE2      PHE   8   2.277  -6.211   5.963
   75    HZ   PHE   8           HZ       PHE   8   4.625  -5.580   6.425
   76    H    LEU   9           H        LEU   9   1.059  -2.889   0.681
   77    HA   LEU   9           HA       LEU   9   3.196  -4.618  -0.042
   78    HB2  LEU   9          2HB       LEU   9   0.685  -4.676  -0.644
   79    HB3  LEU   9          1HB       LEU   9   1.032  -3.602  -1.961
   80    HG   LEU   9           HG       LEU   9   2.873  -5.935  -2.037
   81   HD11  LEU   9          1HD1      LEU   9  -0.072  -6.646  -1.627
   82   HD12  LEU   9          2HD1      LEU   9   1.057  -7.707  -2.504
   83   HD13  LEU   9          3HD1      LEU   9   1.376  -7.287  -0.812
   84   HD21  LEU   9          1HD2      LEU   9   2.358  -4.601  -4.055
   85   HD22  LEU   9          2HD2      LEU   9   1.828  -6.271  -4.319
   86   HD23  LEU   9          3HD2      LEU   9   0.626  -5.014  -3.951
   87    H    GLY  10           H        GLY  10   2.621  -1.420  -1.538
   88    HA2  GLY  10          1HA       GLY  10   4.687  -1.203  -3.537
   89    HA3  GLY  10          2HA       GLY  10   4.223   0.091  -2.456
   90    H    ARG  11           H        ARG  11   5.148  -0.901  -0.040
   91    HA   ARG  11           HA       ARG  11   8.157  -0.546  -0.186
   92    HB2  ARG  11          2HB       ARG  11   6.157  -0.905   2.134
   93    HB3  ARG  11          1HB       ARG  11   7.868  -0.944   2.418
   94    HG2  ARG  11          2HG       ARG  11   6.577   1.474   1.005
   95    HG3  ARG  11          1HG       ARG  11   6.551   1.283   2.739
   96    HD2  ARG  11          2HD       ARG  11   9.310   0.817   2.161
   97    HD3  ARG  11          1HD       ARG  11   8.912   1.963   0.918
   98    HE   ARG  11           HE       ARG  11   9.021   2.429   3.891
   99   HH11  ARG  11          1HH1      ARG  11   7.373   5.364   1.733
  100   HH12  ARG  11          2HH1      ARG  11   7.671   3.720   0.980
  101   HH21  ARG  11          1HH2      ARG  11   7.926   5.636   3.791
  102   HH22  ARG  11          2HH2      ARG  11   8.676   4.275   4.741
  103    H    ILE  12           H        ILE  12   5.907  -3.193   0.657
  104    HA   ILE  12           HA       ILE  12   7.945  -5.197   1.387
  105    HB   ILE  12           HB       ILE  12   5.242  -5.834   0.114
  106   HG12  ILE  12          2HG1      ILE  12   5.721  -5.359   3.116
  107   HG13  ILE  12          1HG1      ILE  12   4.805  -4.335   2.057
  108   HG21  ILE  12          1HG2      ILE  12   7.294  -7.670   0.873
  109   HG22  ILE  12          2HG2      ILE  12   6.201  -7.716   2.254
  110   HG23  ILE  12          3HG2      ILE  12   5.582  -8.042   0.626
  111   HD11  ILE  12          1HD1      ILE  12   3.537  -6.910   1.722
  112   HD12  ILE  12          2HD1      ILE  12   3.860  -6.710   3.456
  113   HD13  ILE  12          3HD1      ILE  12   2.918  -5.485   2.575
  114    H    LEU  13           H        LEU  13   6.511  -4.413  -1.774
  115    HA   LEU  13           HA       LEU  13   7.946  -6.370  -3.421
  116    HB2  LEU  13          2HB       LEU  13   6.544  -3.682  -3.905
  117    HB3  LEU  13          1HB       LEU  13   7.484  -4.332  -5.191
  118    HG   LEU  13           HG       LEU  13   4.929  -4.779  -5.096
  119   HD11  LEU  13          1HD1      LEU  13   5.563  -7.369  -5.976
  120   HD12  LEU  13          2HD1      LEU  13   5.697  -5.890  -6.934
  121   HD13  LEU  13          3HD1      LEU  13   7.128  -6.551  -6.114
  122   HD21  LEU  13          1HD2      LEU  13   4.830  -5.783  -2.793
  123   HD22  LEU  13          2HD2      LEU  13   4.103  -6.822  -4.033
  124   HD23  LEU  13          3HD2      LEU  13   5.705  -7.204  -3.360
  125    HN1  NH2  14          1HN       NH2  14  10.739  -3.387  -3.189
  126    HN2  NH2  14          2HN       NH2  14   9.003  -2.949  -2.765
  Start of MODEL   11
    1    H1   PHE   1          1H        PHE   1 -11.747   7.745  -0.180
    2    H2   PHE   1          2H        PHE   1 -11.071   7.557   1.319
    3    H3   PHE   1          3H        PHE   1 -10.269   8.404   0.155
    4    HA   PHE   1           HA       PHE   1 -10.872   5.483   0.071
    5    HB2  PHE   1          2HB       PHE   1  -9.366   7.227  -1.991
    6    HB3  PHE   1          1HB       PHE   1  -9.348   5.489  -1.992
    7    HD1  PHE   1           HD1      PHE   1 -11.691   4.213  -2.024
    8    HD2  PHE   1           HD2      PHE   1 -11.137   8.308  -3.243
    9    HE1  PHE   1           HE1      PHE   1 -13.811   4.141  -3.265
   10    HE2  PHE   1           HE2      PHE   1 -13.254   8.210  -4.488
   11    HZ   PHE   1           HZ       PHE   1 -14.600   6.135  -4.495
   12    H    VAL   2           H        VAL   2  -9.509   4.310   1.214
   13    HA   VAL   2           HA       VAL   2  -6.622   5.220   1.620
   14    HB   VAL   2           HB       VAL   2  -7.737   5.817   3.637
   15   HG11  VAL   2          1HG1      VAL   2  -8.437   3.384   5.043
   16   HG12  VAL   2          2HG1      VAL   2  -9.510   4.699   4.528
   17   HG13  VAL   2          3HG1      VAL   2  -9.260   3.291   3.486
   18   HG21  VAL   2          1HG2      VAL   2  -6.099   3.341   4.390
   19   HG22  VAL   2          2HG2      VAL   2  -5.345   4.760   3.639
   20   HG23  VAL   2          3HG2      VAL   2  -6.187   4.924   5.192
   21    HA   JKH   3           HA       CAP   3  -6.514   0.788   0.067
   22    HD2  JKH   3          1HD       CAP   3  -7.148   4.230  -1.253
   23    HD3  JKH   3          2HD       CAP   3  -5.732   4.898  -0.417
   24    HB3  JKH   3          2HB       CAP   3  -4.842   1.094  -2.058
   25    HB2  JKH   3          1HB       CAP   3  -6.536   1.530  -2.146
   26    HG   JKH   3           HG       CAP   3  -5.587   3.586  -2.896
   27   HG22  JKH   3          1HG2      CAP   3  -3.595   4.539  -1.687
   28   HG21  JKH   3          2HG2      CAP   3  -3.541   3.157  -0.764
   29   HG23  JKH   3          3HG2      CAP   3  -3.255   3.068  -2.370
   30    H    TRP   4           H        TRP   4  -5.627   1.238   2.365
   31    HA   TRP   4           HA       TRP   4  -2.817   1.260   3.039
   32    HB2  TRP   4          1HB       TRP   4  -3.399  -0.155   5.026
   33    HB3  TRP   4          2HB       TRP   4  -4.311   1.312   4.843
   34    HD1  TRP   4           HD1      TRP   4  -6.957   1.167   4.598
   35    HE1  TRP   4           HE1      TRP   4  -8.803  -0.724   4.651
   36    HE3  TRP   4           HE3      TRP   4  -3.737  -2.803   4.436
   37    HZ2  TRP   4           HZ2      TRP   4  -8.683  -3.557   4.552
   38    HZ3  TRP   4           HZ3      TRP   4  -4.673  -5.088   4.338
   39    HH2  TRP   4           HH2      TRP   4  -7.105  -5.464   4.406
   40    H    PHE   5           H        PHE   5  -4.612  -1.440   1.715
   41    HA   PHE   5           HA       PHE   5  -2.610  -3.476   1.646
   42    HB2  PHE   5          2HB       PHE   5  -5.194  -2.968   0.341
   43    HB3  PHE   5          1HB       PHE   5  -4.116  -3.350  -0.944
   44    HD1  PHE   5           HD1      PHE   5  -6.391  -4.823   1.180
   45    HD2  PHE   5           HD2      PHE   5  -2.372  -5.465  -0.225
   46    HE1  PHE   5           HE1      PHE   5  -6.580  -7.217   1.704
   47    HE2  PHE   5           HE2      PHE   5  -2.569  -7.851   0.331
   48    HZ   PHE   5           HZ       PHE   5  -4.669  -8.734   1.296
   49    H    SER   6           H        SER   6  -2.943  -0.879  -0.743
   50    HA   SER   6           HA       SER   6  -0.373  -1.560  -2.179
   51    HB2  SER   6          2HB       SER   6  -2.579   0.491  -2.585
   52    HB3  SER   6          1HB       SER   6  -0.967   0.999  -3.066
   53    HG   SER   6           HG       SER   6  -1.713  -0.074  -4.792
   54    H    LYS   7           H        LYS   7  -1.367   0.794   0.286
   55    HA   LYS   7           HA       LYS   7   1.143   2.300   0.425
   56    HB2  LYS   7          2HB       LYS   7  -1.353   2.428   1.794
   57    HB3  LYS   7          1HB       LYS   7  -0.320   1.846   3.048
   58    HG2  LYS   7          2HG       LYS   7   1.111   4.063   1.762
   59    HG3  LYS   7          1HG       LYS   7  -0.580   4.523   1.806
   60    HD2  LYS   7          2HD       LYS   7  -0.494   3.855   4.378
   61    HD3  LYS   7          1HD       LYS   7   1.245   3.781   4.193
   62    HE2  LYS   7          2HE       LYS   7  -0.573   6.253   3.686
   63    HE3  LYS   7          1HE       LYS   7   0.415   5.995   5.116
   64    HZ1  LYS   7          1HZ       LYS   7   1.586   7.460   3.453
   65    HZ2  LYS   7          2HZ       LYS   7   2.451   6.074   3.675
   66    HZ3  LYS   7          3HZ       LYS   7   1.545   6.264   2.328
   67    H    PHE   8           H        PHE   8   0.287  -0.753   1.956
   68    HA   PHE   8           HA       PHE   8   3.042  -0.989   3.175
   69    HB2  PHE   8          2HB       PHE   8   0.980  -1.800   4.437
   70    HB3  PHE   8          1HB       PHE   8   0.731  -3.007   3.201
   71    HD1  PHE   8           HD1      PHE   8   0.933  -4.937   4.623
   72    HD2  PHE   8           HD2      PHE   8   4.173  -2.089   4.621
   73    HE1  PHE   8           HE1      PHE   8   2.365  -6.524   5.840
   74    HE2  PHE   8           HE2      PHE   8   5.582  -3.695   5.780
   75    HZ   PHE   8           HZ       PHE   8   4.696  -5.916   6.402
   76    H    LEU   9           H        LEU   9   1.144  -2.968   0.782
   77    HA   LEU   9           HA       LEU   9   3.235  -4.694  -0.040
   78    HB2  LEU   9          2HB       LEU   9   0.695  -4.672  -0.630
   79    HB3  LEU   9          1HB       LEU   9   1.084  -3.602  -1.936
   80    HG   LEU   9           HG       LEU   9   2.888  -5.958  -2.009
   81   HD11  LEU   9          1HD1      LEU   9   1.024  -7.028  -0.648
   82   HD12  LEU   9          2HD1      LEU   9  -0.048  -6.816  -2.055
   83   HD13  LEU   9          3HD1      LEU   9   1.418  -7.825  -2.180
   84   HD21  LEU   9          1HD2      LEU   9   2.399  -4.667  -4.049
   85   HD22  LEU   9          2HD2      LEU   9   1.765  -6.307  -4.290
   86   HD23  LEU   9          3HD2      LEU   9   0.651  -4.976  -3.909
   87    H    GLY  10           H        GLY  10   2.688  -1.454  -1.443
   88    HA2  GLY  10          1HA       GLY  10   4.702  -1.217  -3.491
   89    HA3  GLY  10          2HA       GLY  10   4.290   0.054  -2.363
   90    H    ARG  11           H        ARG  11   5.256  -1.016  -0.006
   91    HA   ARG  11           HA       ARG  11   8.263  -0.680  -0.223
   92    HB2  ARG  11          2HB       ARG  11   6.311  -1.047   2.135
   93    HB3  ARG  11          1HB       ARG  11   8.029  -1.096   2.374
   94    HG2  ARG  11          2HG       ARG  11   6.788   1.342   0.938
   95    HG3  ARG  11          1HG       ARG  11   6.639   1.173   2.656
   96    HD2  ARG  11          2HD       ARG  11   9.492   0.657   2.069
   97    HD3  ARG  11          1HD       ARG  11   9.013   1.951   1.017
   98    HE   ARG  11           HE       ARG  11   8.941   3.422   2.909
   99   HH11  ARG  11          1HH1      ARG  11   8.529   0.707   5.832
  100   HH12  ARG  11          2HH1      ARG  11   8.535   0.192   4.073
  101   HH21  ARG  11          1HH2      ARG  11   8.735   2.797   6.249
  102   HH22  ARG  11          2HH2      ARG  11   8.922   4.013   4.904
  103    H    ILE  12           H        ILE  12   6.015  -3.330   0.602
  104    HA   ILE  12           HA       ILE  12   8.062  -5.365   1.243
  105    HB   ILE  12           HB       ILE  12   5.316  -5.938   0.032
  106   HG12  ILE  12          2HG1      ILE  12   5.893  -5.584   3.033
  107   HG13  ILE  12          1HG1      ILE  12   4.963  -4.502   2.044
  108   HG21  ILE  12          1HG2      ILE  12   6.271  -7.921   2.062
  109   HG22  ILE  12          2HG2      ILE  12   5.691  -8.164   0.406
  110   HG23  ILE  12          3HG2      ILE  12   7.397  -7.806   0.712
  111   HD11  ILE  12          1HD1      ILE  12   4.006  -6.887   3.390
  112   HD12  ILE  12          2HD1      ILE  12   3.065  -5.651   2.521
  113   HD13  ILE  12          3HD1      ILE  12   3.672  -7.076   1.658
  114    H    LEU  13           H        LEU  13   6.554  -4.474  -1.855
  115    HA   LEU  13           HA       LEU  13   7.923  -6.397  -3.594
  116    HB2  LEU  13          2HB       LEU  13   6.533  -3.686  -3.961
  117    HB3  LEU  13          1HB       LEU  13   7.437  -4.298  -5.289
  118    HG   LEU  13           HG       LEU  13   4.887  -4.729  -5.151
  119   HD11  LEU  13          1HD1      LEU  13   5.553  -7.334  -6.081
  120   HD12  LEU  13          2HD1      LEU  13   5.512  -5.840  -7.025
  121   HD13  LEU  13          3HD1      LEU  13   7.043  -6.411  -6.330
  122   HD21  LEU  13          1HD2      LEU  13   4.817  -5.799  -2.877
  123   HD22  LEU  13          2HD2      LEU  13   4.065  -6.800  -4.133
  124   HD23  LEU  13          3HD2      LEU  13   5.675  -7.208  -3.499
  125    HN1  NH2  14          1HN       NH2  14  10.742  -3.429  -3.405
  126    HN2  NH2  14          2HN       NH2  14   9.012  -2.972  -2.969
  Start of MODEL   12
    1    H1   PHE   1          1H        PHE   1 -12.121   7.055   0.455
    2    H2   PHE   1          2H        PHE   1 -11.323   6.307   1.688
    3    H3   PHE   1          3H        PHE   1 -10.912   7.841   1.254
    4    HA   PHE   1           HA       PHE   1 -10.547   5.416  -0.472
    5    HB2  PHE   1          2HB       PHE   1 -10.081   8.407  -1.033
    6    HB3  PHE   1          1HB       PHE   1  -9.077   7.211  -1.772
    7    HD1  PHE   1           HD1      PHE   1 -12.876   7.497  -1.222
    8    HD2  PHE   1           HD2      PHE   1  -9.651   6.730  -3.985
    9    HE1  PHE   1           HE1      PHE   1 -14.487   7.046  -2.990
   10    HE2  PHE   1           HE2      PHE   1 -11.299   6.347  -5.763
   11    HZ   PHE   1           HZ       PHE   1 -13.718   6.487  -5.269
   12    H    VAL   2           H        VAL   2  -9.462   4.297   1.108
   13    HA   VAL   2           HA       VAL   2  -6.617   5.232   1.636
   14    HB   VAL   2           HB       VAL   2  -7.750   5.820   3.647
   15   HG11  VAL   2          1HG1      VAL   2  -8.472   3.410   5.053
   16   HG12  VAL   2          2HG1      VAL   2  -9.549   4.698   4.486
   17   HG13  VAL   2          3HG1      VAL   2  -9.254   3.273   3.478
   18   HG21  VAL   2          1HG2      VAL   2  -5.360   4.746   3.655
   19   HG22  VAL   2          2HG2      VAL   2  -6.209   4.928   5.203
   20   HG23  VAL   2          3HG2      VAL   2  -6.130   3.339   4.412
   21    HA   JKH   3           HA       CAP   3  -6.515   0.820   0.037
   22    HD2  JKH   3          1HD       CAP   3  -7.164   4.273  -1.252
   23    HD3  JKH   3          2HD       CAP   3  -5.748   4.937  -0.413
   24    HB3  JKH   3          2HB       CAP   3  -4.840   1.152  -2.085
   25    HB2  JKH   3          1HB       CAP   3  -6.539   1.578  -2.170
   26    HG   JKH   3           HG       CAP   3  -5.606   3.647  -2.904
   27   HG22  JKH   3          1HG2      CAP   3  -3.613   4.597  -1.696
   28   HG21  JKH   3          2HG2      CAP   3  -3.551   3.207  -0.783
   29   HG23  JKH   3          3HG2      CAP   3  -3.274   3.132  -2.391
   30    H    TRP   4           H        TRP   4  -5.636   1.258   2.338
   31    HA   TRP   4           HA       TRP   4  -2.826   1.287   3.020
   32    HB2  TRP   4          1HB       TRP   4  -3.410  -0.153   4.992
   33    HB3  TRP   4          2HB       TRP   4  -4.326   1.314   4.825
   34    HD1  TRP   4           HD1      TRP   4  -6.971   1.163   4.569
   35    HE1  TRP   4           HE1      TRP   4  -8.811  -0.733   4.600
   36    HE3  TRP   4           HE3      TRP   4  -3.740  -2.797   4.375
   37    HZ2  TRP   4           HZ2      TRP   4  -8.684  -3.564   4.477
   38    HZ3  TRP   4           HZ3      TRP   4  -4.670  -5.083   4.252
   39    HH2  TRP   4           HH2      TRP   4  -7.101  -5.465   4.315
   40    H    PHE   5           H        PHE   5  -4.617  -1.416   1.679
   41    HA   PHE   5           HA       PHE   5  -2.586  -3.424   1.583
   42    HB2  PHE   5          2HB       PHE   5  -5.160  -2.881   0.194
   43    HB3  PHE   5          1HB       PHE   5  -4.041  -3.401  -1.003
   44    HD1  PHE   5           HD1      PHE   5  -2.364  -5.479   0.164
   45    HD2  PHE   5           HD2      PHE   5  -6.545  -4.695   0.825
   46    HE1  PHE   5           HE1      PHE   5  -2.704  -7.816   0.834
   47    HE2  PHE   5           HE2      PHE   5  -6.876  -7.048   1.453
   48    HZ   PHE   5           HZ       PHE   5  -4.957  -8.610   1.479
   49    H    SER   6           H        SER   6  -2.948  -0.778  -0.738
   50    HA   SER   6           HA       SER   6  -0.434  -1.498  -2.243
   51    HB2  SER   6          2HB       SER   6  -2.722  -0.085  -3.038
   52    HB3  SER   6          1HB       SER   6  -1.636   1.246  -2.679
   53    HG   SER   6           HG       SER   6  -0.363   0.619  -4.309
   54    H    LYS   7           H        LYS   7  -1.374   0.865   0.220
   55    HA   LYS   7           HA       LYS   7   1.137   2.381   0.388
   56    HB2  LYS   7          2HB       LYS   7  -1.379   2.495   1.731
   57    HB3  LYS   7          1HB       LYS   7  -0.331   1.917   2.996
   58    HG2  LYS   7          2HG       LYS   7   1.260   3.914   2.436
   59    HG3  LYS   7          1HG       LYS   7   0.021   4.475   1.310
   60    HD2  LYS   7          2HD       LYS   7  -1.662   4.623   3.183
   61    HD3  LYS   7          1HD       LYS   7  -0.472   4.012   4.335
   62    HE2  LYS   7          2HE       LYS   7   0.990   5.976   4.079
   63    HE3  LYS   7          1HE       LYS   7   0.106   6.565   2.671
   64    HZ1  LYS   7          1HZ       LYS   7  -0.620   7.753   4.733
   65    HZ2  LYS   7          2HZ       LYS   7  -1.888   6.913   4.117
   66    HZ3  LYS   7          3HZ       LYS   7  -1.099   6.346   5.437
   67    H    PHE   8           H        PHE   8   0.248  -0.689   1.910
   68    HA   PHE   8           HA       PHE   8   2.992  -0.937   3.142
   69    HB2  PHE   8          2HB       PHE   8   0.925  -1.765   4.374
   70    HB3  PHE   8          1HB       PHE   8   0.688  -2.961   3.125
   71    HD1  PHE   8           HD1      PHE   8   0.860  -4.887   4.564
   72    HD2  PHE   8           HD2      PHE   8   4.135  -2.080   4.549
   73    HE1  PHE   8           HE1      PHE   8   2.276  -6.490   5.777
   74    HE2  PHE   8           HE2      PHE   8   5.526  -3.700   5.707
   75    HZ   PHE   8           HZ       PHE   8   4.616  -5.909   6.334
   76    H    LEU   9           H        LEU   9   1.135  -2.899   0.705
   77    HA   LEU   9           HA       LEU   9   3.246  -4.611  -0.107
   78    HB2  LEU   9          2HB       LEU   9   0.725  -4.614  -0.717
   79    HB3  LEU   9          1HB       LEU   9   1.095  -3.502  -1.995
   80    HG   LEU   9           HG       LEU   9   2.931  -5.841  -2.108
   81   HD11  LEU   9          1HD1      LEU   9   1.164  -7.048  -0.871
   82   HD12  LEU   9          2HD1      LEU   9  -0.040  -6.606  -2.108
   83   HD13  LEU   9          3HD1      LEU   9   1.337  -7.663  -2.526
   84   HD21  LEU   9          1HD2      LEU   9   1.972  -6.088  -4.431
   85   HD22  LEU   9          2HD2      LEU   9   0.740  -4.861  -4.057
   86   HD23  LEU   9          3HD2      LEU   9   2.466  -4.419  -4.092
   87    H    GLY  10           H        GLY  10   2.723  -1.349  -1.441
   88    HA2  GLY  10          1HA       GLY  10   4.775  -1.090  -3.459
   89    HA3  GLY  10          2HA       GLY  10   4.332   0.171  -2.332
   90    H    ARG  11           H        ARG  11   5.256  -0.946   0.047
   91    HA   ARG  11           HA       ARG  11   8.269  -0.610  -0.113
   92    HB2  ARG  11          2HB       ARG  11   6.272  -1.028   2.203
   93    HB3  ARG  11          1HB       ARG  11   7.981  -1.111   2.481
   94    HG2  ARG  11          2HG       ARG  11   6.722   1.397   1.191
   95    HG3  ARG  11          1HG       ARG  11   6.733   1.119   2.916
   96    HD2  ARG  11          2HD       ARG  11   9.459   0.606   2.241
   97    HD3  ARG  11          1HD       ARG  11   9.025   1.827   1.039
   98    HE   ARG  11           HE       ARG  11   8.017   2.811   3.571
   99   HH11  ARG  11          1HH1      ARG  11  12.002   3.106   3.482
  100   HH12  ARG  11          2HH1      ARG  11  11.146   2.006   2.297
  101   HH21  ARG  11          1HH2      ARG  11  10.817   4.208   4.881
  102   HH22  ARG  11          2HH2      ARG  11   9.003   4.047   4.900
  103    H    ILE  12           H        ILE  12   5.997  -3.265   0.602
  104    HA   ILE  12           HA       ILE  12   8.034  -5.319   1.226
  105    HB   ILE  12           HB       ILE  12   5.298  -5.877  -0.014
  106   HG12  ILE  12          2HG1      ILE  12   5.842  -5.533   2.995
  107   HG13  ILE  12          1HG1      ILE  12   4.917  -4.453   1.999
  108   HG21  ILE  12          1HG2      ILE  12   6.243  -7.863   2.025
  109   HG22  ILE  12          2HG2      ILE  12   5.651  -8.107   0.374
  110   HG23  ILE  12          3HG2      ILE  12   7.359  -7.758   0.669
  111   HD11  ILE  12          1HD1      ILE  12   3.961  -6.853   3.325
  112   HD12  ILE  12          2HD1      ILE  12   3.022  -5.606   2.471
  113   HD13  ILE  12          3HD1      ILE  12   3.631  -7.020   1.590
  114    H    LEU  13           H        LEU  13   6.655  -4.277  -1.878
  115    HA   LEU  13           HA       LEU  13   7.935  -6.330  -3.569
  116    HB2  LEU  13          2HB       LEU  13   6.498  -3.661  -3.995
  117    HB3  LEU  13          1HB       LEU  13   7.379  -4.302  -5.321
  118    HG   LEU  13           HG       LEU  13   4.820  -4.813  -5.048
  119   HD11  LEU  13          1HD1      LEU  13   5.117  -7.040  -6.291
  120   HD12  LEU  13          2HD1      LEU  13   6.068  -5.691  -6.941
  121   HD13  LEU  13          3HD1      LEU  13   6.861  -6.939  -5.946
  122   HD21  LEU  13          1HD2      LEU  13   4.151  -6.910  -3.973
  123   HD22  LEU  13          2HD2      LEU  13   5.814  -7.278  -3.473
  124   HD23  LEU  13          3HD2      LEU  13   4.963  -5.912  -2.750
  125    HN1  NH2  14          1HN       NH2  14  11.294  -5.053  -3.277
  126    HN2  NH2  14          2HN       NH2  14  10.079  -6.204  -2.526
  Start of MODEL   13
    1    H1   PHE   1          1H        PHE   1 -11.653   7.547  -0.702
    2    H2   PHE   1          2H        PHE   1 -10.746   8.075   0.584
    3    H3   PHE   1          3H        PHE   1 -10.015   7.737  -0.844
    4    HA   PHE   1           HA       PHE   1 -11.347   5.738   0.929
    5    HB2  PHE   1          2HB       PHE   1  -9.873   5.346  -1.781
    6    HB3  PHE   1          1HB       PHE   1 -10.296   4.036  -0.720
    7    HD1  PHE   1           HD1      PHE   1 -11.529   6.003  -3.431
    8    HD2  PHE   1           HD2      PHE   1 -12.824   3.782   0.027
    9    HE1  PHE   1           HE1      PHE   1 -13.809   5.890  -4.342
   10    HE2  PHE   1           HE2      PHE   1 -15.098   3.690  -0.896
   11    HZ   PHE   1           HZ       PHE   1 -15.601   4.747  -3.074
   12    H    VAL   2           H        VAL   2  -9.911   4.178   1.887
   13    HA   VAL   2           HA       VAL   2  -6.991   5.119   2.145
   14    HB   VAL   2           HB       VAL   2  -8.514   3.691   4.365
   15   HG11  VAL   2          1HG1      VAL   2  -6.199   5.211   5.331
   16   HG12  VAL   2          2HG1      VAL   2  -6.469   3.465   5.340
   17   HG13  VAL   2          3HG1      VAL   2  -5.653   4.228   3.969
   18   HG21  VAL   2          1HG2      VAL   2  -8.420   5.968   5.612
   19   HG22  VAL   2          2HG2      VAL   2  -8.101   6.725   4.028
   20   HG23  VAL   2          3HG2      VAL   2  -9.614   5.839   4.315
   21    HA   JKH   3           HA       CAP   3  -6.781   0.714   0.446
   22    HD2  JKH   3          1HD       CAP   3  -7.769   4.116  -0.773
   23    HD3  JKH   3          2HD       CAP   3  -6.325   4.864  -0.059
   24    HB3  JKH   3          2HB       CAP   3  -5.366   1.149  -1.841
   25    HB2  JKH   3          1HB       CAP   3  -7.089   1.463  -1.756
   26    HG   JKH   3           HG       CAP   3  -6.377   3.586  -2.567
   27   HG22  JKH   3          1HG2      CAP   3  -4.337   4.677  -1.558
   28   HG21  JKH   3          2HG2      CAP   3  -4.068   3.276  -0.701
   29   HG23  JKH   3          3HG2      CAP   3  -3.975   3.257  -2.332
   30    H    TRP   4           H        TRP   4  -5.680   1.219   2.635
   31    HA   TRP   4           HA       TRP   4  -2.800   1.410   2.940
   32    HB2  TRP   4          1HB       TRP   4  -3.006  -0.028   4.955
   33    HB3  TRP   4          2HB       TRP   4  -4.047   1.366   4.925
   34    HD1  TRP   4           HD1      TRP   4  -6.691   1.010   4.980
   35    HE1  TRP   4           HE1      TRP   4  -8.354  -1.030   5.251
   36    HE3  TRP   4           HE3      TRP   4  -3.191  -2.675   4.423
   37    HZ2  TRP   4           HZ2      TRP   4  -8.004  -3.846   5.146
   38    HZ3  TRP   4           HZ3      TRP   4  -3.929  -5.032   4.458
   39    HH2  TRP   4           HH2      TRP   4  -6.296  -5.614   4.821
   40    H    PHE   5           H        PHE   5  -4.664  -1.342   1.796
   41    HA   PHE   5           HA       PHE   5  -2.593  -3.238   1.429
   42    HB2  PHE   5          2HB       PHE   5  -5.306  -3.194   0.779
   43    HB3  PHE   5          1HB       PHE   5  -4.637  -3.117  -0.815
   44    HD1  PHE   5           HD1      PHE   5  -5.426  -5.246   1.961
   45    HD2  PHE   5           HD2      PHE   5  -2.764  -4.983  -1.409
   46    HE1  PHE   5           HE1      PHE   5  -4.949  -7.650   2.141
   47    HE2  PHE   5           HE2      PHE   5  -2.286  -7.389  -1.207
   48    HZ   PHE   5           HZ       PHE   5  -3.376  -8.727   0.566
   49    H    SER   6           H        SER   6  -3.207  -0.466  -0.656
   50    HA   SER   6           HA       SER   6  -0.855  -1.185  -2.494
   51    HB2  SER   6          2HB       SER   6  -2.854   1.152  -2.674
   52    HB3  SER   6          1HB       SER   6  -1.594   0.776  -3.849
   53    HG   SER   6           HG       SER   6  -2.681  -1.381  -3.978
   54    H    LYS   7           H        LYS   7  -1.235   0.394   0.421
   55    HA   LYS   7           HA       LYS   7   0.990   2.433  -0.033
   56    HB2  LYS   7          2HB       LYS   7  -1.390   2.408   1.665
   57    HB3  LYS   7          1HB       LYS   7  -0.069   2.246   2.755
   58    HG2  LYS   7          2HG       LYS   7   0.726   4.403   0.986
   59    HG3  LYS   7          1HG       LYS   7  -1.006   4.537   1.065
   60    HD2  LYS   7          2HD       LYS   7  -0.589   5.809   2.965
   61    HD3  LYS   7          1HD       LYS   7  -0.611   4.267   3.758
   62    HE2  LYS   7          2HE       LYS   7   1.402   5.229   4.594
   63    HE3  LYS   7          1HE       LYS   7   1.996   4.118   3.361
   64    HZ1  LYS   7          1HZ       LYS   7   2.998   6.394   3.055
   65    HZ2  LYS   7          2HZ       LYS   7   2.034   6.069   1.761
   66    HZ3  LYS   7          3HZ       LYS   7   1.507   7.080   2.930
   67    H    PHE   8           H        PHE   8   0.403  -0.552   1.761
   68    HA   PHE   8           HA       PHE   8   3.232  -0.632   2.836
   69    HB2  PHE   8          2HB       PHE   8   2.620  -2.295   4.226
   70    HB3  PHE   8          1HB       PHE   8   1.081  -1.532   4.082
   71    HD1  PHE   8           HD1      PHE   8   2.634  -4.655   4.170
   72    HD2  PHE   8           HD2      PHE   8  -0.364  -2.625   1.877
   73    HE1  PHE   8           HE1      PHE   8   1.786  -6.815   3.340
   74    HE2  PHE   8           HE2      PHE   8  -1.166  -4.801   1.029
   75    HZ   PHE   8           HZ       PHE   8  -0.114  -6.874   1.754
   76    H    LEU   9           H        LEU   9   1.395  -2.299   0.295
   77    HA   LEU   9           HA       LEU   9   3.183  -4.289  -0.480
   78    HB2  LEU   9          2HB       LEU   9   0.803  -3.762  -1.254
   79    HB3  LEU   9          1HB       LEU   9   1.456  -2.704  -2.464
   80    HG   LEU   9           HG       LEU   9   2.750  -5.396  -2.563
   81   HD11  LEU   9          1HD1      LEU   9   0.637  -6.645  -3.360
   82   HD12  LEU   9          2HD1      LEU   9   0.833  -6.408  -1.613
   83   HD13  LEU   9          3HD1      LEU   9  -0.310  -5.391  -2.521
   84   HD21  LEU   9          1HD2      LEU   9   1.004  -3.888  -4.620
   85   HD22  LEU   9          2HD2      LEU   9   2.782  -3.828  -4.494
   86   HD23  LEU   9          3HD2      LEU   9   1.978  -5.338  -4.953
   87    H    GLY  10           H        GLY  10   3.353  -0.988  -1.793
   88    HA2  GLY  10          1HA       GLY  10   5.622  -1.050  -3.579
   89    HA3  GLY  10          2HA       GLY  10   5.287   0.270  -2.483
   90    H    ARG  11           H        ARG  11   5.763  -0.978  -0.045
   91    HA   ARG  11           HA       ARG  11   8.783  -1.176   0.115
   92    HB2  ARG  11          2HB       ARG  11   6.530  -1.258   2.215
   93    HB3  ARG  11          1HB       ARG  11   8.168  -1.627   2.651
   94    HG2  ARG  11          2HG       ARG  11   7.482   1.043   1.269
   95    HG3  ARG  11          1HG       ARG  11   7.249   0.791   2.982
   96    HD2  ARG  11          2HD       ARG  11   9.915  -0.140   2.664
   97    HD3  ARG  11          1HD       ARG  11   9.870   1.075   1.421
   98    HE   ARG  11           HE       ARG  11   9.826   1.489   4.382
   99   HH11  ARG  11          1HH1      ARG  11   8.669   4.660   2.237
  100   HH12  ARG  11          2HH1      ARG  11   8.801   3.008   1.452
  101   HH21  ARG  11          1HH2      ARG  11   9.149   4.811   4.327
  102   HH22  ARG  11          2HH2      ARG  11   9.674   3.345   5.271
  103    H    ILE  12           H        ILE  12   6.032  -3.413   0.702
  104    HA   ILE  12           HA       ILE  12   7.612  -5.791   1.403
  105    HB   ILE  12           HB       ILE  12   4.888  -5.612   0.027
  106   HG12  ILE  12          2HG1      ILE  12   4.833  -4.500   2.246
  107   HG13  ILE  12          1HG1      ILE  12   3.799  -5.888   2.118
  108   HG21  ILE  12          1HG2      ILE  12   5.620  -7.898  -0.356
  109   HG22  ILE  12          2HG2      ILE  12   6.134  -8.095   1.333
  110   HG23  ILE  12          3HG2      ILE  12   4.405  -7.943   0.930
  111   HD11  ILE  12          1HD1      ILE  12   6.556  -6.018   3.525
  112   HD12  ILE  12          2HD1      ILE  12   5.025  -5.672   4.362
  113   HD13  ILE  12          3HD1      ILE  12   5.265  -7.246   3.575
  114    H    LEU  13           H        LEU  13   6.611  -4.648  -1.810
  115    HA   LEU  13           HA       LEU  13   7.843  -6.757  -3.431
  116    HB2  LEU  13          2HB       LEU  13   7.012  -3.834  -3.879
  117    HB3  LEU  13          1HB       LEU  13   7.914  -4.619  -5.116
  118    HG   LEU  13           HG       LEU  13   5.311  -4.561  -5.241
  119   HD11  LEU  13          1HD1      LEU  13   5.317  -6.893  -6.437
  120   HD12  LEU  13          2HD1      LEU  13   6.482  -5.681  -6.997
  121   HD13  LEU  13          3HD1      LEU  13   7.022  -7.014  -5.944
  122   HD21  LEU  13          1HD2      LEU  13   4.825  -5.661  -3.003
  123   HD22  LEU  13          2HD2      LEU  13   4.030  -6.453  -4.372
  124   HD23  LEU  13          3HD2      LEU  13   5.468  -7.183  -3.621
  125    HN1  NH2  14          1HN       NH2  14  11.101  -4.480  -2.581
  126    HN2  NH2  14          2HN       NH2  14   9.459  -3.844  -2.073
  Start of MODEL   14
    1    H1   PHE   1          1H        PHE   1 -12.548   5.956   0.279
    2    H2   PHE   1          2H        PHE   1 -11.710   4.761   1.045
    3    H3   PHE   1          3H        PHE   1 -11.770   6.284   1.682
    4    HA   PHE   1           HA       PHE   1 -10.396   5.590  -0.870
    5    HB2  PHE   1          2HB       PHE   1  -9.738   7.985  -0.968
    6    HB3  PHE   1          1HB       PHE   1 -11.441   7.749  -1.137
    7    HD1  PHE   1           HD1      PHE   1  -8.769   9.036   1.192
    8    HD2  PHE   1           HD2      PHE   1 -13.010   8.596   0.579
    9    HE1  PHE   1           HE1      PHE   1  -9.213  10.477   3.135
   10    HE2  PHE   1           HE2      PHE   1 -13.431  10.021   2.531
   11    HZ   PHE   1           HZ       PHE   1 -11.540  10.962   3.817
   12    H    VAL   2           H        VAL   2  -9.750   4.242   1.695
   13    HA   VAL   2           HA       VAL   2  -6.875   5.273   2.013
   14    HB   VAL   2           HB       VAL   2  -8.446   3.832   4.201
   15   HG11  VAL   2          1HG1      VAL   2  -6.587   4.219   5.637
   16   HG12  VAL   2          2HG1      VAL   2  -5.798   3.738   4.132
   17   HG13  VAL   2          3HG1      VAL   2  -5.859   5.458   4.597
   18   HG21  VAL   2          1HG2      VAL   2  -8.365   6.116   5.461
   19   HG22  VAL   2          2HG2      VAL   2  -8.013   6.876   3.885
   20   HG23  VAL   2          3HG2      VAL   2  -9.535   6.003   4.141
   21    HA   JKH   3           HA       CAP   3  -6.760   0.858   0.307
   22    HD2  JKH   3          1HD       CAP   3  -7.651   4.263  -0.916
   23    HD3  JKH   3          2HD       CAP   3  -6.195   4.997  -0.213
   24    HB3  JKH   3          2HB       CAP   3  -5.328   1.251  -1.979
   25    HB2  JKH   3          1HB       CAP   3  -7.040   1.612  -1.896
   26    HG   JKH   3           HG       CAP   3  -6.272   3.713  -2.710
   27   HG22  JKH   3          1HG2      CAP   3  -4.201   4.747  -1.729
   28   HG21  JKH   3          2HG2      CAP   3  -3.959   3.334  -0.864
   29   HG23  JKH   3          3HG2      CAP   3  -3.884   3.318  -2.493
   30    H    TRP   4           H        TRP   4  -5.642   1.352   2.502
   31    HA   TRP   4           HA       TRP   4  -2.760   1.499   2.831
   32    HB2  TRP   4          1HB       TRP   4  -3.031   0.077   4.864
   33    HB3  TRP   4          2HB       TRP   4  -4.044   1.489   4.813
   34    HD1  TRP   4           HD1      TRP   4  -6.695   1.179   4.857
   35    HE1  TRP   4           HE1      TRP   4  -8.397  -0.834   5.113
   36    HE3  TRP   4           HE3      TRP   4  -3.256  -2.571   4.343
   37    HZ2  TRP   4           HZ2      TRP   4  -8.098  -3.654   5.007
   38    HZ3  TRP   4           HZ3      TRP   4  -4.036  -4.914   4.379
   39    HH2  TRP   4           HH2      TRP   4  -6.418  -5.452   4.709
   40    H    PHE   5           H        PHE   5  -4.663  -1.230   1.695
   41    HA   PHE   5           HA       PHE   5  -2.615  -3.151   1.355
   42    HB2  PHE   5          2HB       PHE   5  -5.296  -3.139   0.755
   43    HB3  PHE   5          1HB       PHE   5  -4.700  -2.942  -0.862
   44    HD1  PHE   5           HD1      PHE   5  -2.938  -4.753  -1.727
   45    HD2  PHE   5           HD2      PHE   5  -5.205  -5.235   1.897
   46    HE1  PHE   5           HE1      PHE   5  -2.413  -7.158  -1.706
   47    HE2  PHE   5           HE2      PHE   5  -4.676  -7.634   1.903
   48    HZ   PHE   5           HZ       PHE   5  -3.280  -8.603   0.106
   49    H    SER   6           H        SER   6  -3.145  -0.369  -0.712
   50    HA   SER   6           HA       SER   6  -0.758  -1.086  -2.508
   51    HB2  SER   6          2HB       SER   6  -3.170   0.755  -2.849
   52    HB3  SER   6          1HB       SER   6  -1.655   1.310  -3.531
   53    HG   SER   6           HG       SER   6  -2.694  -1.307  -3.970
   54    H    LYS   7           H        LYS   7  -1.179   0.448   0.429
   55    HA   LYS   7           HA       LYS   7   1.092   2.463  -0.015
   56    HB2  LYS   7          2HB       LYS   7  -0.560   2.073   2.543
   57    HB3  LYS   7          1HB       LYS   7   0.642   3.306   2.237
   58    HG2  LYS   7          2HG       LYS   7  -0.990   3.956   0.153
   59    HG3  LYS   7          1HG       LYS   7  -2.157   3.032   1.071
   60    HD2  LYS   7          2HD       LYS   7  -1.160   4.694   3.099
   61    HD3  LYS   7          1HD       LYS   7  -0.849   5.693   1.685
   62    HE2  LYS   7          2HE       LYS   7  -3.386   5.369   1.049
   63    HE3  LYS   7          1HE       LYS   7  -3.590   4.528   2.593
   64    HZ1  LYS   7          1HZ       LYS   7  -4.062   6.970   2.861
   65    HZ2  LYS   7          2HZ       LYS   7  -2.711   6.601   3.724
   66    HZ3  LYS   7          3HZ       LYS   7  -2.574   7.364   2.288
   67    H    PHE   8           H        PHE   8   0.407  -0.519   1.761
   68    HA   PHE   8           HA       PHE   8   3.218  -0.661   2.872
   69    HB2  PHE   8          2HB       PHE   8   2.551  -2.313   4.245
   70    HB3  PHE   8          1HB       PHE   8   1.030  -1.522   4.079
   71    HD1  PHE   8           HD1      PHE   8  -0.396  -2.584   1.838
   72    HD2  PHE   8           HD2      PHE   8   2.525  -4.667   4.180
   73    HE1  PHE   8           HE1      PHE   8  -1.226  -4.748   0.975
   74    HE2  PHE   8           HE2      PHE   8   1.655  -6.811   3.334
   75    HZ   PHE   8           HZ       PHE   8  -0.221  -6.837   1.718
   76    H    LEU   9           H        LEU   9   1.390  -2.268   0.287
   77    HA   LEU   9           HA       LEU   9   3.154  -4.295  -0.459
   78    HB2  LEU   9          2HB       LEU   9   0.796  -3.737  -1.264
   79    HB3  LEU   9          1HB       LEU   9   1.475  -2.685  -2.465
   80    HG   LEU   9           HG       LEU   9   2.737  -5.393  -2.550
   81   HD11  LEU   9          1HD1      LEU   9   0.618  -6.616  -3.373
   82   HD12  LEU   9          2HD1      LEU   9   0.791  -6.378  -1.624
   83   HD13  LEU   9          3HD1      LEU   9  -0.323  -5.347  -2.550
   84   HD21  LEU   9          1HD2      LEU   9   2.018  -5.324  -4.947
   85   HD22  LEU   9          2HD2      LEU   9   1.023  -3.884  -4.634
   86   HD23  LEU   9          3HD2      LEU   9   2.797  -3.804  -4.477
   87    H    GLY  10           H        GLY  10   3.400  -0.996  -1.770
   88    HA2  GLY  10          1HA       GLY  10   5.690  -1.100  -3.531
   89    HA3  GLY  10          2HA       GLY  10   5.365   0.224  -2.435
   90    H    ARG  11           H        ARG  11   5.781  -0.988   0.001
   91    HA   ARG  11           HA       ARG  11   8.785  -1.251   0.225
   92    HB2  ARG  11          2HB       ARG  11   6.471  -1.244   2.263
   93    HB3  ARG  11          1HB       ARG  11   8.079  -1.660   2.755
   94    HG2  ARG  11          2HG       ARG  11   7.521   1.024   1.330
   95    HG3  ARG  11          1HG       ARG  11   7.255   0.789   3.039
   96    HD2  ARG  11          2HD       ARG  11   9.900  -0.287   2.635
   97    HD3  ARG  11          1HD       ARG  11   9.848   1.060   1.498
   98    HE   ARG  11           HE       ARG  11   8.786   2.196   3.882
   99   HH11  ARG  11          1HH1      ARG  11  12.616   1.305   4.597
  100   HH12  ARG  11          2HH1      ARG  11  11.747   0.510   3.198
  101   HH21  ARG  11          1HH2      ARG  11  11.536   2.704   5.799
  102   HH22  ARG  11          2HH2      ARG  11   9.790   3.084   5.453
  103    H    ILE  12           H        ILE  12   5.995  -3.450   0.748
  104    HA   ILE  12           HA       ILE  12   7.541  -5.849   1.480
  105    HB   ILE  12           HB       ILE  12   4.839  -5.635   0.067
  106   HG12  ILE  12          2HG1      ILE  12   4.764  -4.529   2.290
  107   HG13  ILE  12          1HG1      ILE  12   3.713  -5.901   2.140
  108   HG21  ILE  12          1HG2      ILE  12   5.543  -7.930  -0.310
  109   HG22  ILE  12          2HG2      ILE  12   6.036  -8.136   1.384
  110   HG23  ILE  12          3HG2      ILE  12   4.314  -7.962   0.964
  111   HD11  ILE  12          1HD1      ILE  12   4.899  -5.712   4.404
  112   HD12  ILE  12          2HD1      ILE  12   5.143  -7.284   3.614
  113   HD13  ILE  12          3HD1      ILE  12   6.444  -6.065   3.595
  114    H    LEU  13           H        LEU  13   6.637  -4.659  -1.742
  115    HA   LEU  13           HA       LEU  13   7.797  -6.834  -3.332
  116    HB2  LEU  13          2HB       LEU  13   7.009  -3.908  -3.828
  117    HB3  LEU  13          1HB       LEU  13   7.914  -4.711  -5.051
  118    HG   LEU  13           HG       LEU  13   5.315  -4.624  -5.191
  119   HD11  LEU  13          1HD1      LEU  13   5.283  -6.891  -6.426
  120   HD12  LEU  13          2HD1      LEU  13   6.576  -5.776  -6.904
  121   HD13  LEU  13          3HD1      LEU  13   6.942  -7.156  -5.837
  122   HD21  LEU  13          1HD2      LEU  13   4.010  -6.495  -4.313
  123   HD22  LEU  13          2HD2      LEU  13   5.437  -7.243  -3.560
  124   HD23  LEU  13          3HD2      LEU  13   4.817  -5.713  -2.942
  125    HN1  NH2  14          1HN       NH2  14  11.082  -4.415  -2.862
  126    HN2  NH2  14          2HN       NH2  14   9.427  -3.615  -2.740
  Start of MODEL   15
    1    H1   PHE   1          1H        PHE   1 -12.178   7.476   0.142
    2    H2   PHE   1          2H        PHE   1 -11.411   7.404   1.613
    3    H3   PHE   1          3H        PHE   1 -10.673   8.124   0.334
    4    HA   PHE   1           HA       PHE   1 -11.295   5.227   0.471
    5    HB2  PHE   1          2HB       PHE   1  -9.914   5.004  -1.590
    6    HB3  PHE   1          1HB       PHE   1 -11.401   5.843  -1.835
    7    HD1  PHE   1           HD1      PHE   1  -7.680   6.240  -1.838
    8    HD2  PHE   1           HD2      PHE   1 -11.429   8.270  -2.417
    9    HE1  PHE   1           HE1      PHE   1  -6.495   8.175  -2.780
   10    HE2  PHE   1           HE2      PHE   1 -10.225  10.203  -3.335
   11    HZ   PHE   1           HZ       PHE   1  -7.760  10.165  -3.512
   12    H    VAL   2           H        VAL   2  -9.855   4.035   1.619
   13    HA   VAL   2           HA       VAL   2  -7.015   5.129   2.023
   14    HB   VAL   2           HB       VAL   2  -8.515   3.692   4.259
   15   HG11  VAL   2          1HG1      VAL   2  -5.880   3.610   4.146
   16   HG12  VAL   2          2HG1      VAL   2  -5.916   5.351   4.501
   17   HG13  VAL   2          3HG1      VAL   2  -6.608   4.187   5.651
   18   HG21  VAL   2          1HG2      VAL   2  -8.039   6.739   3.972
   19   HG22  VAL   2          2HG2      VAL   2  -9.600   5.906   4.122
   20   HG23  VAL   2          3HG2      VAL   2  -8.495   5.943   5.503
   21    HA   JKH   3           HA       CAP   3  -6.745   0.725   0.356
   22    HD2  JKH   3          1HD       CAP   3  -7.803   4.085  -0.858
   23    HD3  JKH   3          2HD       CAP   3  -6.372   4.881  -0.168
   24    HB3  JKH   3          2HB       CAP   3  -5.345   1.174  -1.941
   25    HB2  JKH   3          1HB       CAP   3  -7.070   1.458  -1.842
   26    HG   JKH   3           HG       CAP   3  -6.405   3.589  -2.668
   27   HG22  JKH   3          1HG2      CAP   3  -4.399   4.742  -1.638
   28   HG21  JKH   3          2HG2      CAP   3  -4.069   3.335  -0.829
   29   HG23  JKH   3          3HG2      CAP   3  -3.998   3.368  -2.472
   30    H    TRP   4           H        TRP   4  -5.655   1.259   2.532
   31    HA   TRP   4           HA       TRP   4  -2.775   1.460   2.858
   32    HB2  TRP   4          1HB       TRP   4  -3.001   0.049   4.892
   33    HB3  TRP   4          2HB       TRP   4  -4.040   1.442   4.840
   34    HD1  TRP   4           HD1      TRP   4  -6.681   1.088   4.911
   35    HE1  TRP   4           HE1      TRP   4  -8.346  -0.949   5.211
   36    HE3  TRP   4           HE3      TRP   4  -3.186  -2.611   4.397
   37    HZ2  TRP   4           HZ2      TRP   4  -8.000  -3.765   5.142
   38    HZ3  TRP   4           HZ3      TRP   4  -3.928  -4.966   4.464
   39    HH2  TRP   4           HH2      TRP   4  -6.296  -5.539   4.837
   40    H    PHE   5           H        PHE   5  -4.649  -1.318   1.767
   41    HA   PHE   5           HA       PHE   5  -2.574  -3.208   1.428
   42    HB2  PHE   5          2HB       PHE   5  -5.259  -3.247   0.834
   43    HB3  PHE   5          1HB       PHE   5  -4.663  -3.081  -0.786
   44    HD1  PHE   5           HD1      PHE   5  -2.752  -4.863  -1.527
   45    HD2  PHE   5           HD2      PHE   5  -5.277  -5.352   1.925
   46    HE1  PHE   5           HE1      PHE   5  -2.198  -7.257  -1.448
   47    HE2  PHE   5           HE2      PHE   5  -4.733  -7.748   1.972
   48    HZ   PHE   5           HZ       PHE   5  -3.188  -8.705   0.295
   49    H    SER   6           H        SER   6  -3.180  -0.472  -0.679
   50    HA   SER   6           HA       SER   6  -0.855  -1.240  -2.528
   51    HB2  SER   6          2HB       SER   6  -1.643   0.310  -4.107
   52    HB3  SER   6          1HB       SER   6  -3.111  -0.409  -3.487
   53    HG   SER   6           HG       SER   6  -2.936   1.447  -1.872
   54    H    LYS   7           H        LYS   7  -1.203   0.403   0.356
   55    HA   LYS   7           HA       LYS   7   1.035   2.416  -0.127
   56    HB2  LYS   7          2HB       LYS   7  -1.343   2.457   1.545
   57    HB3  LYS   7          1HB       LYS   7  -0.056   2.227   2.661
   58    HG2  LYS   7          2HG       LYS   7   0.859   4.390   0.930
   59    HG3  LYS   7          1HG       LYS   7  -0.882   4.571   1.014
   60    HD2  LYS   7          2HD       LYS   7  -0.516   4.256   3.670
   61    HD3  LYS   7          1HD       LYS   7   1.165   4.600   3.317
   62    HE2  LYS   7          2HE       LYS   7   0.779   6.870   2.699
   63    HE3  LYS   7          1HE       LYS   7  -0.858   6.578   2.129
   64    HZ1  LYS   7          1HZ       LYS   7  -0.958   7.714   4.317
   65    HZ2  LYS   7          2HZ       LYS   7  -1.569   6.200   4.490
   66    HZ3  LYS   7          3HZ       LYS   7  -0.066   6.532   5.042
   67    H    PHE   8           H        PHE   8   0.421  -0.529   1.736
   68    HA   PHE   8           HA       PHE   8   3.246  -0.609   2.816
   69    HB2  PHE   8          2HB       PHE   8   2.623  -2.245   4.231
   70    HB3  PHE   8          1HB       PHE   8   1.087  -1.480   4.069
   71    HD1  PHE   8           HD1      PHE   8  -0.353  -2.602   1.879
   72    HD2  PHE   8           HD2      PHE   8   2.634  -4.604   4.208
   73    HE1  PHE   8           HE1      PHE   8  -1.156  -4.790   1.056
   74    HE2  PHE   8           HE2      PHE   8   1.786  -6.774   3.406
   75    HZ   PHE   8           HZ       PHE   8  -0.108  -6.854   1.813
   76    H    LEU   9           H        LEU   9   1.409  -2.295   0.290
   77    HA   LEU   9           HA       LEU   9   3.195  -4.305  -0.451
   78    HB2  LEU   9          2HB       LEU   9   0.816  -3.792  -1.238
   79    HB3  LEU   9          1HB       LEU   9   1.470  -2.750  -2.462
   80    HG   LEU   9           HG       LEU   9   2.775  -5.440  -2.506
   81   HD11  LEU   9          1HD1      LEU   9   0.765  -6.784  -3.206
   82   HD12  LEU   9          2HD1      LEU   9   0.762  -6.326  -1.492
   83   HD13  LEU   9          3HD1      LEU   9  -0.290  -5.462  -2.638
   84   HD21  LEU   9          1HD2      LEU   9   2.783  -3.877  -4.468
   85   HD22  LEU   9          2HD2      LEU   9   2.042  -5.428  -4.900
   86   HD23  LEU   9          3HD2      LEU   9   1.010  -4.011  -4.606
   87    H    GLY  10           H        GLY  10   3.369  -1.021  -1.813
   88    HA2  GLY  10          1HA       GLY  10   5.642  -1.113  -3.591
   89    HA3  GLY  10          2HA       GLY  10   5.307   0.224  -2.515
   90    H    ARG  11           H        ARG  11   5.779  -0.976  -0.057
   91    HA   ARG  11           HA       ARG  11   8.797  -1.180   0.111
   92    HB2  ARG  11          2HB       ARG  11   6.537  -1.220   2.205
   93    HB3  ARG  11          1HB       ARG  11   8.171  -1.590   2.654
   94    HG2  ARG  11          2HG       ARG  11   7.502   1.062   1.228
   95    HG3  ARG  11          1HG       ARG  11   7.266   0.838   2.943
   96    HD2  ARG  11          2HD       ARG  11   9.923  -0.111   2.660
   97    HD3  ARG  11          1HD       ARG  11   9.894   1.068   1.381
   98    HE   ARG  11           HE       ARG  11   9.807   1.564   4.337
   99   HH11  ARG  11          1HH1      ARG  11   8.791   4.696   2.068
  100   HH12  ARG  11          2HH1      ARG  11   8.898   3.019   1.335
  101   HH21  ARG  11          1HH2      ARG  11   9.224   4.899   4.162
  102   HH22  ARG  11          2HH2      ARG  11   9.684   3.449   5.164
  103    H    ILE  12           H        ILE  12   6.045  -3.407   0.727
  104    HA   ILE  12           HA       ILE  12   7.624  -5.774   1.469
  105    HB   ILE  12           HB       ILE  12   4.903  -5.616   0.085
  106   HG12  ILE  12          2HG1      ILE  12   4.844  -4.471   2.288
  107   HG13  ILE  12          1HG1      ILE  12   3.808  -5.859   2.176
  108   HG21  ILE  12          1HG2      ILE  12   6.142  -8.079   1.435
  109   HG22  ILE  12          2HG2      ILE  12   4.416  -7.933   1.019
  110   HG23  ILE  12          3HG2      ILE  12   5.639  -7.909  -0.261
  111   HD11  ILE  12          1HD1      ILE  12   5.266  -7.197   3.659
  112   HD12  ILE  12          2HD1      ILE  12   6.561  -5.973   3.593
  113   HD13  ILE  12          3HD1      ILE  12   5.029  -5.609   4.420
  114    H    LEU  13           H        LEU  13   6.632  -4.679  -1.763
  115    HA   LEU  13           HA       LEU  13   7.863  -6.818  -3.345
  116    HB2  LEU  13          2HB       LEU  13   7.030  -3.904  -3.847
  117    HB3  LEU  13          1HB       LEU  13   7.934  -4.709  -5.069
  118    HG   LEU  13           HG       LEU  13   5.330  -4.658  -5.195
  119   HD11  LEU  13          1HD1      LEU  13   6.484  -5.801  -6.938
  120   HD12  LEU  13          2HD1      LEU  13   7.061  -7.104  -5.867
  121   HD13  LEU  13          3HD1      LEU  13   5.348  -7.024  -6.343
  122   HD21  LEU  13          1HD2      LEU  13   4.848  -5.721  -2.939
  123   HD22  LEU  13          2HD2      LEU  13   4.055  -6.540  -4.294
  124   HD23  LEU  13          3HD2      LEU  13   5.496  -7.251  -3.529
  125    HN1  NH2  14          1HN       NH2  14  11.114  -4.500  -2.558
  126    HN2  NH2  14          2HN       NH2  14   9.466  -3.837  -2.105
  Start of MODEL   16
    1    H1   PHE   1          1H        PHE   1 -12.254   7.211   0.272
    2    H2   PHE   1          2H        PHE   1 -11.556   6.825   1.720
    3    H3   PHE   1          3H        PHE   1 -10.892   7.999   0.781
    4    HA   PHE   1           HA       PHE   1 -11.026   5.097   0.082
    5    HB2  PHE   1          2HB       PHE   1 -10.259   7.568  -1.565
    6    HB3  PHE   1          1HB       PHE   1  -9.209   6.213  -1.722
    7    HD1  PHE   1           HD1      PHE   1 -12.649   7.370  -2.413
    8    HD2  PHE   1           HD2      PHE   1  -9.952   4.018  -2.637
    9    HE1  PHE   1           HE1      PHE   1 -14.188   6.216  -3.945
   10    HE2  PHE   1           HE2      PHE   1 -11.500   2.889  -4.177
   11    HZ   PHE   1           HZ       PHE   1 -13.619   3.980  -4.831
   12    H    VAL   2           H        VAL   2  -9.850   4.171   1.670
   13    HA   VAL   2           HA       VAL   2  -6.962   5.170   2.019
   14    HB   VAL   2           HB       VAL   2  -8.509   3.741   4.231
   15   HG11  VAL   2          1HG1      VAL   2  -5.891   5.369   4.483
   16   HG12  VAL   2          2HG1      VAL   2  -6.615   4.241   5.650
   17   HG13  VAL   2          3HG1      VAL   2  -5.889   3.620   4.162
   18   HG21  VAL   2          1HG2      VAL   2  -9.593   5.937   4.130
   19   HG22  VAL   2          2HG2      VAL   2  -8.457   6.003   5.484
   20   HG23  VAL   2          3HG2      VAL   2  -8.044   6.785   3.935
   21    HA   JKH   3           HA       CAP   3  -6.781   0.747   0.367
   22    HD2  JKH   3          1HD       CAP   3  -7.777   4.132  -0.892
   23    HD3  JKH   3          2HD       CAP   3  -6.322   4.889  -0.209
   24    HB3  JKH   3          2HB       CAP   3  -5.372   1.143  -1.931
   25    HB2  JKH   3          1HB       CAP   3  -7.096   1.451  -1.844
   26    HG   JKH   3           HG       CAP   3  -6.401   3.565  -2.697
   27   HG22  JKH   3          1HG2      CAP   3  -4.362   4.655  -1.746
   28   HG21  JKH   3          2HG2      CAP   3  -4.096   3.267  -0.838
   29   HG23  JKH   3          3HG2      CAP   3  -4.006   3.203  -2.470
   30    H    TRP   4           H        TRP   4  -5.686   1.266   2.541
   31    HA   TRP   4           HA       TRP   4  -2.811   1.463   2.851
   32    HB2  TRP   4          1HB       TRP   4  -3.023   0.051   4.892
   33    HB3  TRP   4          2HB       TRP   4  -4.057   1.449   4.841
   34    HD1  TRP   4           HD1      TRP   4  -6.701   1.106   4.896
   35    HE1  TRP   4           HE1      TRP   4  -8.378  -0.924   5.174
   36    HE3  TRP   4           HE3      TRP   4  -3.220  -2.605   4.393
   37    HZ2  TRP   4           HZ2      TRP   4  -8.043  -3.742   5.093
   38    HZ3  TRP   4           HZ3      TRP   4  -3.971  -4.957   4.441
   39    HH2  TRP   4           HH2      TRP   4  -6.344  -5.522   4.793
   40    H    PHE   5           H        PHE   5  -4.670  -1.301   1.738
   41    HA   PHE   5           HA       PHE   5  -2.595  -3.201   1.414
   42    HB2  PHE   5          2HB       PHE   5  -5.276  -3.228   0.806
   43    HB3  PHE   5          1HB       PHE   5  -4.675  -3.041  -0.810
   44    HD1  PHE   5           HD1      PHE   5  -2.833  -4.828  -1.613
   45    HD2  PHE   5           HD2      PHE   5  -5.229  -5.327   1.926
   46    HE1  PHE   5           HE1      PHE   5  -2.281  -7.226  -1.565
   47    HE2  PHE   5           HE2      PHE   5  -4.682  -7.723   1.950
   48    HZ   PHE   5           HZ       PHE   5  -3.205  -8.678   0.212
   49    H    SER   6           H        SER   6  -3.176  -0.439  -0.672
   50    HA   SER   6           HA       SER   6  -0.822  -1.170  -2.491
   51    HB2  SER   6          2HB       SER   6  -3.337   0.225  -3.022
   52    HB3  SER   6          1HB       SER   6  -2.070   1.419  -3.178
   53    HG   SER   6           HG       SER   6  -1.041   0.086  -4.677
   54    H    LYS   7           H        LYS   7  -1.173   0.363   0.420
   55    HA   LYS   7           HA       LYS   7   1.024   2.463  -0.007
   56    HB2  LYS   7          2HB       LYS   7  -0.734   1.887   2.449
   57    HB3  LYS   7          1HB       LYS   7   0.444   3.147   2.378
   58    HG2  LYS   7          2HG       LYS   7  -1.614   3.235   0.143
   59    HG3  LYS   7          1HG       LYS   7  -2.283   3.445   1.741
   60    HD2  LYS   7          2HD       LYS   7  -1.029   5.426   2.206
   61    HD3  LYS   7          1HD       LYS   7   0.182   5.097   0.998
   62    HE2  LYS   7          2HE       LYS   7  -2.458   5.331  -0.367
   63    HE3  LYS   7          1HE       LYS   7  -2.328   6.660   0.764
   64    HZ1  LYS   7          1HZ       LYS   7  -1.259   7.204  -1.455
   65    HZ2  LYS   7          2HZ       LYS   7  -0.134   7.243  -0.260
   66    HZ3  LYS   7          3HZ       LYS   7  -0.193   5.961  -1.268
   67    H    PHE   8           H        PHE   8   0.420  -0.538   1.777
   68    HA   PHE   8           HA       PHE   8   3.241  -0.636   2.865
   69    HB2  PHE   8          2HB       PHE   8   2.598  -2.285   4.257
   70    HB3  PHE   8          1HB       PHE   8   1.067  -1.512   4.095
   71    HD1  PHE   8           HD1      PHE   8  -0.368  -2.603   1.878
   72    HD2  PHE   8           HD2      PHE   8   2.594  -4.639   4.210
   73    HE1  PHE   8           HE1      PHE   8  -1.181  -4.782   1.037
   74    HE2  PHE   8           HE2      PHE   8   1.739  -6.798   3.387
   75    HZ   PHE   8           HZ       PHE   8  -0.149  -6.856   1.786
   76    H    LEU   9           H        LEU   9   1.403  -2.291   0.310
   77    HA   LEU   9           HA       LEU   9   3.184  -4.300  -0.434
   78    HB2  LEU   9          2HB       LEU   9   0.814  -3.769  -1.233
   79    HB3  LEU   9          1HB       LEU   9   1.480  -2.729  -2.450
   80    HG   LEU   9           HG       LEU   9   2.753  -5.441  -2.493
   81   HD11  LEU   9          1HD1      LEU   9   0.723  -6.740  -3.224
   82   HD12  LEU   9          2HD1      LEU   9   0.726  -6.301  -1.506
   83   HD13  LEU   9          3HD1      LEU   9  -0.309  -5.406  -2.644
   84   HD21  LEU   9          1HD2      LEU   9   1.109  -3.853  -4.578
   85   HD22  LEU   9          2HD2      LEU   9   2.883  -3.982  -4.468
   86   HD23  LEU   9          3HD2      LEU   9   1.918  -5.401  -4.909
   87    H    GLY  10           H        GLY  10   3.387  -1.014  -1.776
   88    HA2  GLY  10          1HA       GLY  10   5.665  -1.111  -3.555
   89    HA3  GLY  10          2HA       GLY  10   5.334   0.221  -2.472
   90    H    ARG  11           H        ARG  11   5.777  -0.968  -0.026
   91    HA   ARG  11           HA       ARG  11   8.786  -1.192   0.181
   92    HB2  ARG  11          2HB       ARG  11   6.484  -1.193   2.233
   93    HB3  ARG  11          1HB       ARG  11   8.099  -1.587   2.719
   94    HG2  ARG  11          2HG       ARG  11   7.500   1.080   1.279
   95    HG3  ARG  11          1HG       ARG  11   7.253   0.852   2.993
   96    HD2  ARG  11          2HD       ARG  11   9.900  -0.193   2.598
   97    HD3  ARG  11          1HD       ARG  11   9.835   1.119   1.420
   98    HE   ARG  11           HE       ARG  11   8.772   2.314   3.779
   99   HH11  ARG  11          1HH1      ARG  11  12.615   1.481   4.492
  100   HH12  ARG  11          2HH1      ARG  11  11.746   0.642   3.119
  101   HH21  ARG  11          1HH2      ARG  11  11.528   2.899   5.665
  102   HH22  ARG  11          2HH2      ARG  11   9.776   3.252   5.320
  103    H    ILE  12           H        ILE  12   6.024  -3.417   0.745
  104    HA   ILE  12           HA       ILE  12   7.601  -5.791   1.489
  105    HB   ILE  12           HB       ILE  12   4.888  -5.621   0.091
  106   HG12  ILE  12          2HG1      ILE  12   4.816  -4.494   2.303
  107   HG13  ILE  12          1HG1      ILE  12   3.779  -5.878   2.173
  108   HG21  ILE  12          1HG2      ILE  12   6.120  -8.096   1.424
  109   HG22  ILE  12          2HG2      ILE  12   4.394  -7.944   1.013
  110   HG23  ILE  12          3HG2      ILE  12   5.614  -7.911  -0.269
  111   HD11  ILE  12          1HD1      ILE  12   4.979  -5.652   4.428
  112   HD12  ILE  12          2HD1      ILE  12   5.227  -7.231   3.653
  113   HD13  ILE  12          3HD1      ILE  12   6.520  -6.004   3.610
  114    H    LEU  13           H        LEU  13   6.660  -4.645  -1.738
  115    HA   LEU  13           HA       LEU  13   7.835  -6.819  -3.318
  116    HB2  LEU  13          2HB       LEU  13   6.999  -3.909  -3.828
  117    HB3  LEU  13          1HB       LEU  13   7.915  -4.699  -5.051
  118    HG   LEU  13           HG       LEU  13   5.322  -4.666  -5.187
  119   HD11  LEU  13          1HD1      LEU  13   5.481  -7.232  -6.177
  120   HD12  LEU  13          2HD1      LEU  13   6.183  -5.822  -6.983
  121   HD13  LEU  13          3HD1      LEU  13   7.212  -6.889  -6.000
  122   HD21  LEU  13          1HD2      LEU  13   4.841  -5.710  -2.925
  123   HD22  LEU  13          2HD2      LEU  13   4.035  -6.520  -4.279
  124   HD23  LEU  13          3HD2      LEU  13   5.466  -7.250  -3.515
  125    HN1  NH2  14          1HN       NH2  14  11.094  -4.363  -2.875
  126    HN2  NH2  14          2HN       NH2  14   9.431  -3.582  -2.737
  Start of MODEL   17
    1    H1   PHE   1          1H        PHE   1 -12.225   7.271   0.527
    2    H2   PHE   1          2H        PHE   1 -11.471   6.800   1.920
    3    H3   PHE   1          3H        PHE   1 -10.852   8.040   1.032
    4    HA   PHE   1           HA       PHE   1 -10.996   5.193   0.116
    5    HB2  PHE   1          2HB       PHE   1  -9.918   7.724  -1.302
    6    HB3  PHE   1          1HB       PHE   1  -9.397   6.129  -1.730
    7    HD1  PHE   1           HD1      PHE   1 -12.539   8.199  -1.440
    8    HD2  PHE   1           HD2      PHE   1 -10.679   4.746  -3.224
    9    HE1  PHE   1           HE1      PHE   1 -14.538   7.816  -2.803
   10    HE2  PHE   1           HE2      PHE   1 -12.669   4.419  -4.629
   11    HZ   PHE   1           HZ       PHE   1 -14.610   5.937  -4.409
   12    H    VAL   2           H        VAL   2  -9.739   4.162   1.585
   13    HA   VAL   2           HA       VAL   2  -6.876   5.197   1.970
   14    HB   VAL   2           HB       VAL   2  -8.427   3.816   4.210
   15   HG11  VAL   2          1HG1      VAL   2  -6.518   4.166   5.589
   16   HG12  VAL   2          2HG1      VAL   2  -5.750   3.741   4.053
   17   HG13  VAL   2          3HG1      VAL   2  -5.829   5.439   4.560
   18   HG21  VAL   2          1HG2      VAL   2  -8.429   6.026   5.454
   19   HG22  VAL   2          2HG2      VAL   2  -7.837   6.849   3.985
   20   HG23  VAL   2          3HG2      VAL   2  -9.440   6.087   4.006
   21    HA   JKH   3           HA       CAP   3  -6.763   0.751   0.373
   22    HD2  JKH   3          1HD       CAP   3  -7.717   4.132  -0.914
   23    HD3  JKH   3          2HD       CAP   3  -6.256   4.885  -0.241
   24    HB3  JKH   3          2HB       CAP   3  -5.359   1.108  -1.935
   25    HB2  JKH   3          1HB       CAP   3  -7.077   1.450  -1.841
   26    HG   JKH   3           HG       CAP   3  -6.335   3.542  -2.712
   27   HG22  JKH   3          1HG2      CAP   3  -4.267   4.619  -1.750
   28   HG21  JKH   3          2HG2      CAP   3  -4.021   3.243  -0.849
   29   HG23  JKH   3          3HG2      CAP   3  -3.935   3.169  -2.477
   30    H    TRP   4           H        TRP   4  -5.634   1.288   2.541
   31    HA   TRP   4           HA       TRP   4  -2.748   1.442   2.824
   32    HB2  TRP   4          1HB       TRP   4  -2.982   0.039   4.881
   33    HB3  TRP   4          2HB       TRP   4  -3.980   1.461   4.825
   34    HD1  TRP   4           HD1      TRP   4  -6.630   1.190   4.909
   35    HE1  TRP   4           HE1      TRP   4  -8.357  -0.791   5.234
   36    HE3  TRP   4           HE3      TRP   4  -3.252  -2.619   4.438
   37    HZ2  TRP   4           HZ2      TRP   4  -8.099  -3.617   5.186
   38    HZ3  TRP   4           HZ3      TRP   4  -4.060  -4.951   4.581
   39    HH2  TRP   4           HH2      TRP   4  -6.447  -5.446   4.923
   40    H    PHE   5           H        PHE   5  -4.659  -1.315   1.765
   41    HA   PHE   5           HA       PHE   5  -2.569  -3.223   1.449
   42    HB2  PHE   5          2HB       PHE   5  -5.247  -3.374   1.055
   43    HB3  PHE   5          1HB       PHE   5  -4.831  -3.073  -0.608
   44    HD1  PHE   5           HD1      PHE   5  -4.397  -5.089  -1.919
   45    HD2  PHE   5           HD2      PHE   5  -3.712  -5.200   2.321
   46    HE1  PHE   5           HE1      PHE   5  -3.863  -7.493  -2.053
   47    HE2  PHE   5           HE2      PHE   5  -3.158  -7.584   2.174
   48    HZ   PHE   5           HZ       PHE   5  -3.234  -8.741  -0.011
   49    H    SER   6           H        SER   6  -3.188  -0.514  -0.664
   50    HA   SER   6           HA       SER   6  -0.884  -1.343  -2.513
   51    HB2  SER   6          2HB       SER   6  -3.315  -0.347  -3.316
   52    HB3  SER   6          1HB       SER   6  -2.512   1.184  -2.993
   53    HG   SER   6           HG       SER   6  -1.648  -0.934  -4.693
   54    H    LYS   7           H        LYS   7  -1.255   0.324   0.329
   55    HA   LYS   7           HA       LYS   7   0.946   2.370  -0.187
   56    HB2  LYS   7          2HB       LYS   7  -1.499   2.565   1.236
   57    HB3  LYS   7          1HB       LYS   7  -0.419   2.215   2.535
   58    HG2  LYS   7          2HG       LYS   7   0.418   4.395   0.540
   59    HG3  LYS   7          1HG       LYS   7  -1.014   4.723   1.463
   60    HD2  LYS   7          2HD       LYS   7   0.053   4.945   3.508
   61    HD3  LYS   7          1HD       LYS   7   1.273   3.724   3.165
   62    HE2  LYS   7          2HE       LYS   7   2.336   5.408   1.454
   63    HE3  LYS   7          1HE       LYS   7   1.229   6.637   2.080
   64    HZ1  LYS   7          1HZ       LYS   7   3.408   6.621   3.326
   65    HZ2  LYS   7          2HZ       LYS   7   2.191   6.216   4.362
   66    HZ3  LYS   7          3HZ       LYS   7   3.180   5.054   3.765
   67    H    PHE   8           H        PHE   8   0.371  -0.533   1.723
   68    HA   PHE   8           HA       PHE   8   3.201  -0.565   2.803
   69    HB2  PHE   8          2HB       PHE   8   2.594  -2.205   4.224
   70    HB3  PHE   8          1HB       PHE   8   1.046  -1.466   4.055
   71    HD1  PHE   8           HD1      PHE   8  -0.341  -2.622   1.822
   72    HD2  PHE   8           HD2      PHE   8   2.614  -4.564   4.245
   73    HE1  PHE   8           HE1      PHE   8  -1.101  -4.821   1.007
   74    HE2  PHE   8           HE2      PHE   8   1.801  -6.751   3.457
   75    HZ   PHE   8           HZ       PHE   8  -0.057  -6.869   1.825
   76    H    LEU   9           H        LEU   9   1.384  -2.286   0.282
   77    HA   LEU   9           HA       LEU   9   3.178  -4.290  -0.422
   78    HB2  LEU   9          2HB       LEU   9   0.793  -3.766  -1.266
   79    HB3  LEU   9          1HB       LEU   9   1.495  -2.783  -2.507
   80    HG   LEU   9           HG       LEU   9   2.777  -5.480  -2.411
   81   HD11  LEU   9          1HD1      LEU   9   1.006  -6.980  -2.812
   82   HD12  LEU   9          2HD1      LEU   9   0.481  -6.058  -1.394
   83   HD13  LEU   9          3HD1      LEU   9  -0.215  -5.693  -2.991
   84   HD21  LEU   9          1HD2      LEU   9   2.914  -4.107  -4.452
   85   HD22  LEU   9          2HD2      LEU   9   1.968  -5.556  -4.845
   86   HD23  LEU   9          3HD2      LEU   9   1.142  -4.005  -4.585
   87    H    GLY  10           H        GLY  10   3.346  -1.040  -1.849
   88    HA2  GLY  10          1HA       GLY  10   5.622  -1.141  -3.619
   89    HA3  GLY  10          2HA       GLY  10   5.278   0.207  -2.558
   90    H    ARG  11           H        ARG  11   5.750  -0.956  -0.092
   91    HA   ARG  11           HA       ARG  11   8.769  -1.131   0.080
   92    HB2  ARG  11          2HB       ARG  11   6.503  -1.113   2.168
   93    HB3  ARG  11          1HB       ARG  11   8.139  -1.462   2.625
   94    HG2  ARG  11          2HG       ARG  11   7.539   1.128   1.051
   95    HG3  ARG  11          1HG       ARG  11   7.162   1.025   2.741
   96    HD2  ARG  11          2HD       ARG  11   9.937   0.001   2.446
   97    HD3  ARG  11          1HD       ARG  11   9.797   1.386   1.411
   98    HE   ARG  11           HE       ARG  11   9.725   2.811   3.340
   99   HH11  ARG  11          1HH1      ARG  11   8.708   0.096   6.110
  100   HH12  ARG  11          2HH1      ARG  11   8.801  -0.369   4.339
  101   HH21  ARG  11          1HH2      ARG  11   9.147   2.128   6.622
  102   HH22  ARG  11          2HH2      ARG  11   9.608   3.344   5.346
  103    H    ILE  12           H        ILE  12   6.037  -3.373   0.722
  104    HA   ILE  12           HA       ILE  12   7.640  -5.711   1.523
  105    HB   ILE  12           HB       ILE  12   4.921  -5.597   0.129
  106   HG12  ILE  12          2HG1      ILE  12   4.858  -4.434   2.324
  107   HG13  ILE  12          1HG1      ILE  12   3.826  -5.824   2.218
  108   HG21  ILE  12          1HG2      ILE  12   5.669  -7.885  -0.201
  109   HG22  ILE  12          2HG2      ILE  12   6.195  -8.038   1.489
  110   HG23  ILE  12          3HG2      ILE  12   4.463  -7.915   1.095
  111   HD11  ILE  12          1HD1      ILE  12   5.260  -7.147   3.720
  112   HD12  ILE  12          2HD1      ILE  12   6.578  -5.951   3.633
  113   HD13  ILE  12          3HD1      ILE  12   5.057  -5.547   4.464
  114    H    LEU  13           H        LEU  13   6.644  -4.681  -1.728
  115    HA   LEU  13           HA       LEU  13   7.902  -6.825  -3.282
  116    HB2  LEU  13          2HB       LEU  13   7.036  -3.926  -3.803
  117    HB3  LEU  13          1HB       LEU  13   7.970  -4.709  -5.012
  118    HG   LEU  13           HG       LEU  13   5.402  -4.692  -5.192
  119   HD11  LEU  13          1HD1      LEU  13   5.917  -7.508  -5.880
  120   HD12  LEU  13          2HD1      LEU  13   5.776  -6.087  -6.926
  121   HD13  LEU  13          3HD1      LEU  13   7.352  -6.546  -6.254
  122   HD21  LEU  13          1HD2      LEU  13   5.501  -7.239  -3.456
  123   HD22  LEU  13          2HD2      LEU  13   4.847  -5.689  -2.934
  124   HD23  LEU  13          3HD2      LEU  13   4.086  -6.551  -4.283
  125    HN1  NH2  14          1HN       NH2  14  11.128  -4.451  -2.523
  126    HN2  NH2  14          2HN       NH2  14   9.469  -3.798  -2.091
  Start of MODEL   18
    1    H1   PHE   1          1H        PHE   1 -12.211   7.385   0.245
    2    H2   PHE   1          2H        PHE   1 -11.498   7.118   1.712
    3    H3   PHE   1          3H        PHE   1 -10.769   8.105   0.619
    4    HA   PHE   1           HA       PHE   1 -11.175   5.170   0.297
    5    HB2  PHE   1          2HB       PHE   1 -10.505   7.319  -1.718
    6    HB3  PHE   1          1HB       PHE   1  -9.248   6.150  -1.646
    7    HD1  PHE   1           HD1      PHE   1 -12.925   6.518  -2.207
    8    HD2  PHE   1           HD2      PHE   1  -9.541   3.871  -2.522
    9    HE1  PHE   1           HE1      PHE   1 -14.261   4.948  -3.543
   10    HE2  PHE   1           HE2      PHE   1 -10.893   2.322  -3.870
   11    HZ   PHE   1           HZ       PHE   1 -13.251   2.853  -4.380
   12    H    VAL   2           H        VAL   2  -9.847   4.110   1.639
   13    HA   VAL   2           HA       VAL   2  -6.984   5.161   2.009
   14    HB   VAL   2           HB       VAL   2  -8.487   3.726   4.243
   15   HG11  VAL   2          1HG1      VAL   2  -5.820   3.706   4.068
   16   HG12  VAL   2          2HG1      VAL   2  -5.926   5.406   4.573
   17   HG13  VAL   2          3HG1      VAL   2  -6.582   4.121   5.609
   18   HG21  VAL   2          1HG2      VAL   2  -8.365   6.051   5.469
   19   HG22  VAL   2          2HG2      VAL   2  -8.133   6.766   3.853
   20   HG23  VAL   2          3HG2      VAL   2  -9.615   5.862   4.230
   21    HA   JKH   3           HA       CAP   3  -6.771   0.743   0.363
   22    HD2  JKH   3          1HD       CAP   3  -7.762   4.136  -0.881
   23    HD3  JKH   3          2HD       CAP   3  -6.315   4.892  -0.182
   24    HB3  JKH   3          2HB       CAP   3  -5.365   1.154  -1.929
   25    HB2  JKH   3          1HB       CAP   3  -7.086   1.477  -1.842
   26    HG   JKH   3           HG       CAP   3  -6.360   3.590  -2.677
   27   HG22  JKH   3          1HG2      CAP   3  -4.314   4.679  -1.682
   28   HG21  JKH   3          2HG2      CAP   3  -4.057   3.295  -0.797
   29   HG23  JKH   3          3HG2      CAP   3  -3.954   3.243  -2.425
   30    H    TRP   4           H        TRP   4  -5.666   1.274   2.548
   31    HA   TRP   4           HA       TRP   4  -2.782   1.464   2.848
   32    HB2  TRP   4          1HB       TRP   4  -3.000   0.059   4.891
   33    HB3  TRP   4          2HB       TRP   4  -4.036   1.455   4.839
   34    HD1  TRP   4           HD1      TRP   4  -6.681   1.107   4.903
   35    HE1  TRP   4           HE1      TRP   4  -8.350  -0.927   5.204
   36    HE3  TRP   4           HE3      TRP   4  -3.191  -2.597   4.404
   37    HZ2  TRP   4           HZ2      TRP   4  -8.007  -3.744   5.142
   38    HZ3  TRP   4           HZ3      TRP   4  -3.934  -4.951   4.480
   39    HH2  TRP   4           HH2      TRP   4  -6.304  -5.521   4.848
   40    H    PHE   5           H        PHE   5  -4.656  -1.301   1.745
   41    HA   PHE   5           HA       PHE   5  -2.579  -3.198   1.420
   42    HB2  PHE   5          2HB       PHE   5  -5.264  -3.244   0.842
   43    HB3  PHE   5          1HB       PHE   5  -4.683  -3.067  -0.782
   44    HD1  PHE   5           HD1      PHE   5  -5.150  -5.322   2.007
   45    HD2  PHE   5           HD2      PHE   5  -2.880  -4.862  -1.618
   46    HE1  PHE   5           HE1      PHE   5  -4.591  -7.714   2.047
   47    HE2  PHE   5           HE2      PHE   5  -2.325  -7.260  -1.562
   48    HZ   PHE   5           HZ       PHE   5  -3.179  -8.690   0.267
   49    H    SER   6           H        SER   6  -3.183  -0.469  -0.705
   50    HA   SER   6           HA       SER   6  -0.810  -1.195  -2.517
   51    HB2  SER   6          2HB       SER   6  -3.222   0.641  -2.864
   52    HB3  SER   6          1HB       SER   6  -1.707   1.193  -3.550
   53    HG   SER   6           HG       SER   6  -3.217  -1.043  -4.239
   54    H    LYS   7           H        LYS   7  -1.226   0.372   0.391
   55    HA   LYS   7           HA       LYS   7   1.001   2.402  -0.086
   56    HB2  LYS   7          2HB       LYS   7  -1.427   2.537   1.448
   57    HB3  LYS   7          1HB       LYS   7  -0.243   2.265   2.668
   58    HG2  LYS   7          2HG       LYS   7   0.583   4.388   0.664
   59    HG3  LYS   7          1HG       LYS   7  -0.988   4.703   1.349
   60    HD2  LYS   7          2HD       LYS   7  -0.171   4.779   3.626
   61    HD3  LYS   7          1HD       LYS   7   1.382   4.048   3.200
   62    HE2  LYS   7          2HE       LYS   7   2.020   6.042   1.810
   63    HE3  LYS   7          1HE       LYS   7   0.449   6.801   2.091
   64    HZ1  LYS   7          1HZ       LYS   7   2.170   7.626   3.709
   65    HZ2  LYS   7          2HZ       LYS   7   0.968   6.856   4.526
   66    HZ3  LYS   7          3HZ       LYS   7   2.405   6.105   4.291
   67    H    PHE   8           H        PHE   8   0.404  -0.535   1.744
   68    HA   PHE   8           HA       PHE   8   3.235  -0.602   2.823
   69    HB2  PHE   8          2HB       PHE   8   2.620  -2.252   4.227
   70    HB3  PHE   8          1HB       PHE   8   1.082  -1.489   4.079
   71    HD1  PHE   8           HD1      PHE   8   2.621  -4.607   4.204
   72    HD2  PHE   8           HD2      PHE   8  -0.358  -2.601   1.869
   73    HE1  PHE   8           HE1      PHE   8   1.770  -6.776   3.403
   74    HE2  PHE   8           HE2      PHE   8  -1.168  -4.789   1.048
   75    HZ   PHE   8           HZ       PHE   8  -0.123  -6.853   1.809
   76    H    LEU   9           H        LEU   9   1.392  -2.277   0.286
   77    HA   LEU   9           HA       LEU   9   3.171  -4.288  -0.447
   78    HB2  LEU   9          2HB       LEU   9   0.798  -3.756  -1.270
   79    HB3  LEU   9          1HB       LEU   9   1.480  -2.741  -2.498
   80    HG   LEU   9           HG       LEU   9   2.760  -5.445  -2.461
   81   HD11  LEU   9          1HD1      LEU   9   0.504  -6.065  -1.444
   82   HD12  LEU   9          2HD1      LEU   9  -0.256  -5.575  -2.978
   83   HD13  LEU   9          3HD1      LEU   9   0.936  -6.904  -2.944
   84   HD21  LEU   9          1HD2      LEU   9   2.012  -5.470  -4.887
   85   HD22  LEU   9          2HD2      LEU   9   1.087  -3.977  -4.614
   86   HD23  LEU   9          3HD2      LEU   9   2.862  -3.970  -4.465
   87    H    GLY  10           H        GLY  10   3.358  -1.021  -1.831
   88    HA2  GLY  10          1HA       GLY  10   5.646  -1.121  -3.594
   89    HA3  GLY  10          2HA       GLY  10   5.300   0.219  -2.524
   90    H    ARG  11           H        ARG  11   5.732  -1.036  -0.051
   91    HA   ARG  11           HA       ARG  11   8.752  -1.235   0.080
   92    HB2  ARG  11          2HB       ARG  11   6.682  -1.378   2.367
   93    HB3  ARG  11          1HB       ARG  11   8.418  -1.397   2.565
   94    HG2  ARG  11          2HG       ARG  11   6.705   0.977   1.640
   95    HG3  ARG  11          1HG       ARG  11   7.647   0.807   3.116
   96    HD2  ARG  11          2HD       ARG  11   9.732   0.507   1.385
   97    HD3  ARG  11          1HD       ARG  11   8.601   1.229   0.222
   98    HE   ARG  11           HE       ARG  11   8.808   2.832   2.731
   99   HH11  ARG  11          1HH1      ARG  11  11.465   3.719  -0.133
  100   HH12  ARG  11          2HH1      ARG  11  10.470   2.190  -0.254
  101   HH21  ARG  11          1HH2      ARG  11  11.172   4.982   1.568
  102   HH22  ARG  11          2HH2      ARG  11   9.961   4.551   2.860
  103    H    ILE  12           H        ILE  12   6.021  -3.430   0.732
  104    HA   ILE  12           HA       ILE  12   7.606  -5.797   1.478
  105    HB   ILE  12           HB       ILE  12   4.886  -5.627   0.089
  106   HG12  ILE  12          2HG1      ILE  12   4.826  -4.484   2.290
  107   HG13  ILE  12          1HG1      ILE  12   3.790  -5.870   2.180
  108   HG21  ILE  12          1HG2      ILE  12   5.612  -7.919  -0.261
  109   HG22  ILE  12          2HG2      ILE  12   6.130  -8.094   1.430
  110   HG23  ILE  12          3HG2      ILE  12   4.400  -7.947   1.029
  111   HD11  ILE  12          1HD1      ILE  12   6.546  -6.004   3.587
  112   HD12  ILE  12          2HD1      ILE  12   5.028  -5.604   4.423
  113   HD13  ILE  12          3HD1      ILE  12   5.230  -7.203   3.673
  114    H    LEU  13           H        LEU  13   6.622  -4.686  -1.755
  115    HA   LEU  13           HA       LEU  13   7.855  -6.821  -3.339
  116    HB2  LEU  13          2HB       LEU  13   7.020  -3.908  -3.838
  117    HB3  LEU  13          1HB       LEU  13   7.932  -4.707  -5.060
  118    HG   LEU  13           HG       LEU  13   5.332  -4.664  -5.196
  119   HD11  LEU  13          1HD1      LEU  13   7.177  -6.965  -5.956
  120   HD12  LEU  13          2HD1      LEU  13   5.436  -7.171  -6.235
  121   HD13  LEU  13          3HD1      LEU  13   6.288  -5.811  -6.979
  122   HD21  LEU  13          1HD2      LEU  13   5.484  -7.247  -3.519
  123   HD22  LEU  13          2HD2      LEU  13   4.836  -5.710  -2.943
  124   HD23  LEU  13          3HD2      LEU  13   4.051  -6.537  -4.296
  125    HN1  NH2  14          1HN       NH2  14  11.110  -4.519  -2.541
  126    HN2  NH2  14          2HN       NH2  14   9.464  -3.856  -2.080
  Start of MODEL   19
    1    H1   PHE   1          1H        PHE   1 -12.221   7.418   0.260
    2    H2   PHE   1          2H        PHE   1 -11.426   7.333   1.713
    3    H3   PHE   1          3H        PHE   1 -10.743   8.124   0.441
    4    HA   PHE   1           HA       PHE   1 -11.259   5.205   0.503
    5    HB2  PHE   1          2HB       PHE   1  -9.915   5.075  -1.589
    6    HB3  PHE   1          1HB       PHE   1 -11.449   5.841  -1.770
    7    HD1  PHE   1           HD1      PHE   1 -11.618   8.298  -2.237
    8    HD2  PHE   1           HD2      PHE   1  -7.768   6.397  -1.944
    9    HE1  PHE   1           HE1      PHE   1 -10.545  10.317  -3.126
   10    HE2  PHE   1           HE2      PHE   1  -6.713   8.421  -2.870
   11    HZ   PHE   1           HZ       PHE   1  -8.094  10.389  -3.438
   12    H    VAL   2           H        VAL   2  -9.859   4.086   1.665
   13    HA   VAL   2           HA       VAL   2  -6.989   5.087   2.024
   14    HB   VAL   2           HB       VAL   2  -8.204   5.533   4.071
   15   HG11  VAL   2          1HG1      VAL   2  -8.555   2.631   4.922
   16   HG12  VAL   2          2HG1      VAL   2  -9.442   4.096   5.407
   17   HG13  VAL   2          3HG1      VAL   2  -9.778   3.309   3.856
   18   HG21  VAL   2          1HG2      VAL   2  -6.499   3.498   5.328
   19   HG22  VAL   2          2HG2      VAL   2  -5.681   4.119   3.897
   20   HG23  VAL   2          3HG2      VAL   2  -6.241   5.235   5.155
   21    HA   JKH   3           HA       CAP   3  -6.755   0.712   0.321
   22    HD2  JKH   3          1HD       CAP   3  -7.777   4.111  -0.888
   23    HD3  JKH   3          2HD       CAP   3  -6.326   4.867  -0.197
   24    HB3  JKH   3          2HB       CAP   3  -5.356   1.146  -1.971
   25    HB2  JKH   3          1HB       CAP   3  -7.081   1.449  -1.876
   26    HG   JKH   3           HG       CAP   3  -6.392   3.574  -2.703
   27   HG22  JKH   3          1HG2      CAP   3  -4.331   4.653  -1.757
   28   HG21  JKH   3          2HG2      CAP   3  -4.069   3.261  -0.860
   29   HG23  JKH   3          3HG2      CAP   3  -3.995   3.206  -2.487
   30    H    TRP   4           H        TRP   4  -5.666   1.258   2.515
   31    HA   TRP   4           HA       TRP   4  -2.785   1.459   2.827
   32    HB2  TRP   4          1HB       TRP   4  -3.002   0.063   4.877
   33    HB3  TRP   4          2HB       TRP   4  -4.039   1.457   4.818
   34    HD1  TRP   4           HD1      TRP   4  -6.678   1.108   4.883
   35    HE1  TRP   4           HE1      TRP   4  -8.350  -0.921   5.200
   36    HE3  TRP   4           HE3      TRP   4  -3.194  -2.600   4.401
   37    HZ2  TRP   4           HZ2      TRP   4  -8.012  -3.738   5.144
   38    HZ3  TRP   4           HZ3      TRP   4  -3.941  -4.953   4.483
   39    HH2  TRP   4           HH2      TRP   4  -6.311  -5.518   4.855
   40    H    PHE   5           H        PHE   5  -4.654  -1.317   1.752
   41    HA   PHE   5           HA       PHE   5  -2.582  -3.215   1.419
   42    HB2  PHE   5          2HB       PHE   5  -5.299  -3.166   0.748
   43    HB3  PHE   5          1HB       PHE   5  -4.610  -3.140  -0.839
   44    HD1  PHE   5           HD1      PHE   5  -2.750  -5.034  -1.360
   45    HD2  PHE   5           HD2      PHE   5  -5.440  -5.180   1.993
   46    HE1  PHE   5           HE1      PHE   5  -2.292  -7.437  -1.085
   47    HE2  PHE   5           HE2      PHE   5  -4.981  -7.580   2.250
   48    HZ   PHE   5           HZ       PHE   5  -3.405  -8.714   0.718
   49    H    SER   6           H        SER   6  -3.148  -0.456  -0.661
   50    HA   SER   6           HA       SER   6  -0.771  -1.203  -2.450
   51    HB2  SER   6          2HB       SER   6  -3.307   0.201  -3.036
   52    HB3  SER   6          1HB       SER   6  -1.987   1.320  -3.283
   53    HG   SER   6           HG       SER   6  -1.983  -1.351  -4.278
   54    H    LYS   7           H        LYS   7  -1.185   0.392   0.415
   55    HA   LYS   7           HA       LYS   7   1.044   2.445  -0.060
   56    HB2  LYS   7          2HB       LYS   7  -0.670   1.988   2.451
   57    HB3  LYS   7          1HB       LYS   7   0.536   3.220   2.259
   58    HG2  LYS   7          2HG       LYS   7  -1.280   3.544  -0.010
   59    HG3  LYS   7          1HG       LYS   7  -2.293   3.215   1.381
   60    HD2  LYS   7          2HD       LYS   7  -1.173   5.092   2.659
   61    HD3  LYS   7          1HD       LYS   7  -0.120   5.405   1.273
   62    HE2  LYS   7          2HE       LYS   7  -2.110   5.963  -0.178
   63    HE3  LYS   7          1HE       LYS   7  -3.221   5.579   1.154
   64    HZ1  LYS   7          1HZ       LYS   7  -2.717   8.028   1.090
   65    HZ2  LYS   7          2HZ       LYS   7  -2.135   7.386   2.488
   66    HZ3  LYS   7          3HZ       LYS   7  -1.109   7.738   1.265
   67    H    PHE   8           H        PHE   8   0.430  -0.530   1.753
   68    HA   PHE   8           HA       PHE   8   3.256  -0.616   2.835
   69    HB2  PHE   8          2HB       PHE   8   2.626  -2.254   4.243
   70    HB3  PHE   8          1HB       PHE   8   1.092  -1.486   4.082
   71    HD1  PHE   8           HD1      PHE   8   2.629  -4.609   4.215
   72    HD2  PHE   8           HD2      PHE   8  -0.347  -2.600   1.877
   73    HE1  PHE   8           HE1      PHE   8   1.778  -6.777   3.410
   74    HE2  PHE   8           HE2      PHE   8  -1.153  -4.784   1.055
   75    HZ   PHE   8           HZ       PHE   8  -0.114  -6.851   1.815
   76    H    LEU   9           H        LEU   9   1.415  -2.290   0.299
   77    HA   LEU   9           HA       LEU   9   3.197  -4.302  -0.442
   78    HB2  LEU   9          2HB       LEU   9   0.822  -3.782  -1.230
   79    HB3  LEU   9          1HB       LEU   9   1.478  -2.745  -2.455
   80    HG   LEU   9           HG       LEU   9   2.759  -5.451  -2.495
   81   HD11  LEU   9          1HD1      LEU   9  -0.303  -5.424  -2.582
   82   HD12  LEU   9          2HD1      LEU   9   0.704  -6.739  -3.243
   83   HD13  LEU   9          3HD1      LEU   9   0.772  -6.356  -1.513
   84   HD21  LEU   9          1HD2      LEU   9   1.955  -5.424  -4.903
   85   HD22  LEU   9          2HD2      LEU   9   1.077  -3.911  -4.586
   86   HD23  LEU   9          3HD2      LEU   9   2.855  -3.962  -4.467
   87    H    GLY  10           H        GLY  10   3.379  -1.022  -1.809
   88    HA2  GLY  10          1HA       GLY  10   5.653  -1.118  -3.586
   89    HA3  GLY  10          2HA       GLY  10   5.320   0.219  -2.510
   90    H    ARG  11           H        ARG  11   5.787  -0.980  -0.053
   91    HA   ARG  11           HA       ARG  11   8.803  -1.192   0.121
   92    HB2  ARG  11          2HB       ARG  11   6.538  -1.227   2.210
   93    HB3  ARG  11          1HB       ARG  11   8.170  -1.599   2.662
   94    HG2  ARG  11          2HG       ARG  11   7.509   1.053   1.233
   95    HG3  ARG  11          1HG       ARG  11   7.268   0.830   2.948
   96    HD2  ARG  11          2HD       ARG  11   9.927  -0.126   2.659
   97    HD3  ARG  11          1HD       ARG  11   9.898   1.067   1.394
   98    HE   ARG  11           HE       ARG  11   9.810   1.531   4.355
   99   HH11  ARG  11          1HH1      ARG  11   8.791   4.686   2.120
  100   HH12  ARG  11          2HH1      ARG  11   8.900   3.018   1.368
  101   HH21  ARG  11          1HH2      ARG  11   9.223   4.867   4.215
  102   HH22  ARG  11          2HH2      ARG  11   9.684   3.408   5.202
  103    H    ILE  12           H        ILE  12   6.045  -3.414   0.733
  104    HA   ILE  12           HA       ILE  12   7.618  -5.782   1.480
  105    HB   ILE  12           HB       ILE  12   4.899  -5.620   0.092
  106   HG12  ILE  12          2HG1      ILE  12   4.840  -4.476   2.294
  107   HG13  ILE  12          1HG1      ILE  12   3.803  -5.862   2.182
  108   HG21  ILE  12          1HG2      ILE  12   6.146  -8.086   1.428
  109   HG22  ILE  12          2HG2      ILE  12   4.413  -7.940   1.042
  110   HG23  ILE  12          3HG2      ILE  12   5.614  -7.911  -0.259
  111   HD11  ILE  12          1HD1      ILE  12   6.553  -5.971   3.604
  112   HD12  ILE  12          2HD1      ILE  12   5.015  -5.620   4.427
  113   HD13  ILE  12          3HD1      ILE  12   5.265  -7.203   3.661
  114    H    LEU  13           H        LEU  13   6.633  -4.693  -1.753
  115    HA   LEU  13           HA       LEU  13   7.858  -6.836  -3.339
  116    HB2  LEU  13          2HB       LEU  13   7.023  -3.921  -3.824
  117    HB3  LEU  13          1HB       LEU  13   7.944  -4.703  -5.046
  118    HG   LEU  13           HG       LEU  13   5.367  -4.658  -5.210
  119   HD11  LEU  13          1HD1      LEU  13   7.306  -6.632  -6.211
  120   HD12  LEU  13          2HD1      LEU  13   5.735  -7.416  -6.007
  121   HD13  LEU  13          3HD1      LEU  13   5.864  -5.954  -6.993
  122   HD21  LEU  13          1HD2      LEU  13   4.043  -6.507  -4.317
  123   HD22  LEU  13          2HD2      LEU  13   5.457  -7.230  -3.516
  124   HD23  LEU  13          3HD2      LEU  13   4.829  -5.681  -2.960
  125    HN1  NH2  14          1HN       NH2  14  11.108  -4.496  -2.570
  126    HN2  NH2  14          2HN       NH2  14   9.456  -3.819  -2.150
  Start of MODEL   20
    1    H1   PHE   1          1H        PHE   1 -12.219   7.407   0.247
    2    H2   PHE   1          2H        PHE   1 -11.492   7.236   1.720
    3    H3   PHE   1          3H        PHE   1 -10.771   8.146   0.557
    4    HA   PHE   1           HA       PHE   1 -11.211   5.206   0.440
    5    HB2  PHE   1          2HB       PHE   1 -10.501   7.197  -1.724
    6    HB3  PHE   1          1HB       PHE   1  -9.320   5.955  -1.607
    7    HD1  PHE   1           HD1      PHE   1 -12.802   6.638  -2.536
    8    HD2  PHE   1           HD2      PHE   1  -9.922   3.498  -1.892
    9    HE1  PHE   1           HE1      PHE   1 -14.232   5.056  -3.758
   10    HE2  PHE   1           HE2      PHE   1 -11.366   1.937  -3.126
   11    HZ   PHE   1           HZ       PHE   1 -13.519   2.709  -4.058
   12    H    VAL   2           H        VAL   2  -9.851   4.130   1.656
   13    HA   VAL   2           HA       VAL   2  -6.975   5.111   2.015
   14    HB   VAL   2           HB       VAL   2  -8.194   5.555   4.063
   15   HG11  VAL   2          1HG1      VAL   2  -8.552   2.652   4.905
   16   HG12  VAL   2          2HG1      VAL   2  -9.439   4.116   5.391
   17   HG13  VAL   2          3HG1      VAL   2  -9.771   3.333   3.838
   18   HG21  VAL   2          1HG2      VAL   2  -5.676   4.133   3.883
   19   HG22  VAL   2          2HG2      VAL   2  -6.229   5.252   5.141
   20   HG23  VAL   2          3HG2      VAL   2  -6.495   3.515   5.316
   21    HA   JKH   3           HA       CAP   3  -6.740   0.732   0.308
   22    HD2  JKH   3          1HD       CAP   3  -7.760   4.139  -0.908
   23    HD3  JKH   3          2HD       CAP   3  -6.319   4.890  -0.194
   24    HB3  JKH   3          2HB       CAP   3  -5.325   1.177  -1.971
   25    HB2  JKH   3          1HB       CAP   3  -7.051   1.479  -1.890
   26    HG   JKH   3           HG       CAP   3  -6.348   3.607  -2.704
   27   HG22  JKH   3          1HG2      CAP   3  -4.311   4.702  -1.700
   28   HG21  JKH   3          2HG2      CAP   3  -4.052   3.316  -0.816
   29   HG23  JKH   3          3HG2      CAP   3  -3.943   3.268  -2.443
   30    H    TRP   4           H        TRP   4  -5.662   1.281   2.513
   31    HA   TRP   4           HA       TRP   4  -2.777   1.475   2.834
   32    HB2  TRP   4          1HB       TRP   4  -3.003   0.074   4.878
   33    HB3  TRP   4          2HB       TRP   4  -4.039   1.469   4.821
   34    HD1  TRP   4           HD1      TRP   4  -6.679   1.120   4.870
   35    HE1  TRP   4           HE1      TRP   4  -8.353  -0.907   5.184
   36    HE3  TRP   4           HE3      TRP   4  -3.195  -2.589   4.401
   37    HZ2  TRP   4           HZ2      TRP   4  -8.015  -3.724   5.132
   38    HZ3  TRP   4           HZ3      TRP   4  -3.944  -4.941   4.482
   39    HH2  TRP   4           HH2      TRP   4  -6.314  -5.505   4.848
   40    H    PHE   5           H        PHE   5  -4.657  -1.295   1.754
   41    HA   PHE   5           HA       PHE   5  -2.588  -3.200   1.423
   42    HB2  PHE   5          2HB       PHE   5  -5.303  -3.158   0.754
   43    HB3  PHE   5          1HB       PHE   5  -4.616  -3.128  -0.834
   44    HD1  PHE   5           HD1      PHE   5  -2.758  -5.020  -1.367
   45    HD2  PHE   5           HD2      PHE   5  -5.432  -5.173   1.999
   46    HE1  PHE   5           HE1      PHE   5  -2.300  -7.424  -1.099
   47    HE2  PHE   5           HE2      PHE   5  -4.969  -7.573   2.250
   48    HZ   PHE   5           HZ       PHE   5  -3.402  -8.705   0.708
   49    H    SER   6           H        SER   6  -3.154  -0.438  -0.677
   50    HA   SER   6           HA       SER   6  -0.835  -1.249  -2.512
   51    HB2  SER   6          2HB       SER   6  -3.235  -0.199  -3.306
   52    HB3  SER   6          1HB       SER   6  -2.398   1.318  -2.965
   53    HG   SER   6           HG       SER   6  -2.090   0.456  -5.121
   54    H    LYS   7           H        LYS   7  -1.182   0.382   0.354
   55    HA   LYS   7           HA       LYS   7   1.044   2.417  -0.124
   56    HB2  LYS   7          2HB       LYS   7  -1.383   2.484   1.429
   57    HB3  LYS   7          1HB       LYS   7  -0.185   2.232   2.631
   58    HG2  LYS   7          2HG       LYS   7   0.526   4.444   0.649
   59    HG3  LYS   7          1HG       LYS   7  -1.049   4.627   1.381
   60    HD2  LYS   7          2HD       LYS   7   0.090   4.259   3.701
   61    HD3  LYS   7          1HD       LYS   7   1.639   4.413   2.881
   62    HE2  LYS   7          2HE       LYS   7   1.289   6.732   2.291
   63    HE3  LYS   7          1HE       LYS   7  -0.464   6.620   2.381
   64    HZ1  LYS   7          1HZ       LYS   7   0.380   7.746   4.403
   65    HZ2  LYS   7          2HZ       LYS   7  -0.288   6.314   4.842
   66    HZ3  LYS   7          3HZ       LYS   7   1.341   6.466   4.794
   67    H    PHE   8           H        PHE   8   0.428  -0.515   1.735
   68    HA   PHE   8           HA       PHE   8   3.253  -0.602   2.820
   69    HB2  PHE   8          2HB       PHE   8   2.625  -2.237   4.232
   70    HB3  PHE   8          1HB       PHE   8   1.090  -1.471   4.073
   71    HD1  PHE   8           HD1      PHE   8  -0.351  -2.589   1.873
   72    HD2  PHE   8           HD2      PHE   8   2.626  -4.595   4.214
   73    HE1  PHE   8           HE1      PHE   8  -1.160  -4.775   1.057
   74    HE2  PHE   8           HE2      PHE   8   1.771  -6.764   3.416
   75    HZ   PHE   8           HZ       PHE   8  -0.120  -6.841   1.821
   76    H    LEU   9           H        LEU   9   1.400  -2.273   0.288
   77    HA   LEU   9           HA       LEU   9   3.170  -4.291  -0.447
   78    HB2  LEU   9          2HB       LEU   9   0.796  -3.738  -1.279
   79    HB3  LEU   9          1HB       LEU   9   1.496  -2.739  -2.508
   80    HG   LEU   9           HG       LEU   9   2.759  -5.446  -2.449
   81   HD11  LEU   9          1HD1      LEU   9   0.441  -6.003  -1.439
   82   HD12  LEU   9          2HD1      LEU   9  -0.231  -5.634  -3.045
   83   HD13  LEU   9          3HD1      LEU   9   0.977  -6.930  -2.849
   84   HD21  LEU   9          1HD2      LEU   9   1.098  -3.983  -4.613
   85   HD22  LEU   9          2HD2      LEU   9   2.873  -3.992  -4.462
   86   HD23  LEU   9          3HD2      LEU   9   2.009  -5.486  -4.878
   87    H    GLY  10           H        GLY  10   3.368  -1.025  -1.835
   88    HA2  GLY  10          1HA       GLY  10   5.661  -1.132  -3.588
   89    HA3  GLY  10          2HA       GLY  10   5.318   0.209  -2.519
   90    H    ARG  11           H        ARG  11   5.743  -1.051  -0.046
   91    HA   ARG  11           HA       ARG  11   8.766  -1.266   0.086
   92    HB2  ARG  11          2HB       ARG  11   6.708  -1.363   2.382
   93    HB3  ARG  11          1HB       ARG  11   8.446  -1.357   2.569
   94    HG2  ARG  11          2HG       ARG  11   6.703   0.965   1.554
   95    HG3  ARG  11          1HG       ARG  11   7.610   0.874   3.063
   96    HD2  ARG  11          2HD       ARG  11   9.789   0.722   1.676
   97    HD3  ARG  11          1HD       ARG  11   8.800   0.929   0.210
   98    HE   ARG  11           HE       ARG  11   8.272   3.148   2.070
   99   HH11  ARG  11          1HH1      ARG  11  11.271   3.666  -0.547
  100   HH12  ARG  11          2HH1      ARG  11  10.628   1.989  -0.211
  101   HH21  ARG  11          1HH2      ARG  11  10.391   5.309   0.497
  102   HH22  ARG  11          2HH2      ARG  11   9.032   5.052   1.685
  103    H    ILE  12           H        ILE  12   6.025  -3.437   0.741
  104    HA   ILE  12           HA       ILE  12   7.602  -5.809   1.492
  105    HB   ILE  12           HB       ILE  12   4.886  -5.631   0.095
  106   HG12  ILE  12          2HG1      ILE  12   4.808  -4.490   2.293
  107   HG13  ILE  12          1HG1      ILE  12   3.786  -5.888   2.188
  108   HG21  ILE  12          1HG2      ILE  12   4.395  -7.951   1.029
  109   HG22  ILE  12          2HG2      ILE  12   5.615  -7.924  -0.253
  110   HG23  ILE  12          3HG2      ILE  12   6.122  -8.099   1.441
  111   HD11  ILE  12          1HD1      ILE  12   6.536  -5.932   3.619
  112   HD12  ILE  12          2HD1      ILE  12   4.981  -5.642   4.432
  113   HD13  ILE  12          3HD1      ILE  12   5.295  -7.211   3.659
  114    H    LEU  13           H        LEU  13   6.624  -4.694  -1.744
  115    HA   LEU  13           HA       LEU  13   7.856  -6.832  -3.325
  116    HB2  LEU  13          2HB       LEU  13   7.022  -3.920  -3.827
  117    HB3  LEU  13          1HB       LEU  13   7.938  -4.717  -5.047
  118    HG   LEU  13           HG       LEU  13   5.344  -4.677  -5.192
  119   HD11  LEU  13          1HD1      LEU  13   7.241  -6.879  -6.017
  120   HD12  LEU  13          2HD1      LEU  13   5.518  -7.272  -6.152
  121   HD13  LEU  13          3HD1      LEU  13   6.161  -5.852  -6.987
  122   HD21  LEU  13          1HD2      LEU  13   4.053  -6.541  -4.292
  123   HD22  LEU  13          2HD2      LEU  13   5.480  -7.251  -3.504
  124   HD23  LEU  13          3HD2      LEU  13   4.834  -5.709  -2.939
  125    HN1  NH2  14          1HN       NH2  14  11.114  -4.530  -2.531
  126    HN2  NH2  14          2HN       NH2  14   9.467  -3.865  -2.073