*HEADER    ANTIBIOTIC                              07-MAR-19   6QXC              
*TITLE     NMR STRUCTURE OF PEPTIDE 8, CHARACTERIZED BY A TRANS-4-CYCLOHEXYL-PRO,
*TITLE    2 WITH A DRAMATIC REDUCTION IN ACTIVITY ON E. COLI ATCC AND LOST EFFECT
*TITLE    3 ON P. AERUGINOSA.                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PHE-VAL-TCP-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    TEMPORINS, ANTIMICROBIAL, AMPS, PROLINE DERIVATIVES, ANTIBIOTIC       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    D.BRANCACCIO,A.CAROTENUTO,F.MERLINO,P.GRIECO,E.NOVELLINO              
*REVDAT   1   29-MAY-19 6QXC    0                                                
# Restraints file 1: temp_peptide8.upl
  1 PHE  HA      1 PHE  HB2     2.80  
  1 PHE  HA      1 PHE  HB3     2.80  
  1 PHE  HA      1 PHE  QD      5.64  
  1 PHE  HA      2 VAL  HN      2.55  
  1 PHE  QB      2 VAL  HN      3.50  
  1 PHE  QD      2 VAL  HN      6.64  
  1 PHE  QD      3 PRO  HG3     7.60  
  1 PHE  QE      2 VAL  HN      7.63  
  1 PHE  QE      3 PRO  HG3     7.63  
  2 VAL  HN      2 VAL  HB      2.90  
  2 VAL  HN      2 VAL  QG1     4.16  
  2 VAL  HN      2 VAL  QG2     5.03  
  2 VAL  HA      2 VAL  QG1     3.91  
  2 VAL  HA      2 VAL  QG2     3.98  
  2 VAL  HA      3 PRO  HG3     4.72  
  2 VAL  HA      3 PRO  HD2     2.99  
  2 VAL  HA      3 PRO  HD3     2.99  
  2 VAL  HB      4 TRP  HE1     5.38  
  2 VAL  QG1     3 PRO  HA      5.19  
  2 VAL  QG1     3 PRO  HD2     5.19  
  2 VAL  QG1     3 PRO  HD3     5.44  
  2 VAL  QG1     4 TRP  HZ2     6.05  
  2 VAL  QG2     3 PRO  HA      5.86  
  2 VAL  QG2     3 PRO  HD2     4.53  
  2 VAL  QG2     3 PRO  HD3     4.66  
  2 VAL  QG2     4 TRP  HD1     5.99  
  2 VAL  QG2     4 TRP  HZ2     6.08  
  2 VAL  QG2     5 PHE  QD      8.37  
  4 TRP  HN      4 TRP  HD1     4.85  
  4 TRP  HA      4 TRP  HD1     3.70  
  4 TRP  HA      7 LYS  QG      6.38  
  4 TRP  QB      5 PHE  QD      8.51  
  5 PHE  HN      5 PHE  HB2     4.04  
  5 PHE  HN      5 PHE  HB3     4.04  
  5 PHE  HN      5 PHE  QB      3.44  
  5 PHE  HA      5 PHE  QD      6.11  
  5 PHE  HA      6 SER  HN      3.57  
  5 PHE  HB2     6 SER  HN      3.64  
  5 PHE  HB3     6 SER  HN      3.64  
  5 PHE  QD      9 LEU  QQD     9.69  
  6 SER  HN      7 LYS  HN      3.17  
  6 SER  HA      9 LEU  HN      3.98  
  6 SER  HA      9 LEU  HB2     4.11  
  6 SER  HA      9 LEU  HB3     4.11  
  6 SER  HA      9 LEU  QB      3.24  
  6 SER  QB      7 LYS  HN      4.83  
  7 LYS  HN      7 LYS  QB      4.18  
  7 LYS  HN      7 LYS  QG      5.58  
  7 LYS  HN      7 LYS  QD      6.38  
  7 LYS  HA      7 LYS  QD      5.64  
  7 LYS  HA     10 GLY  HN      3.61  
  7 LYS  QB      7 LYS  QE      7.26  
  7 LYS  QB      8 PHE  HN      5.48  
  8 PHE  HN      8 PHE  HA      2.86  
  8 PHE  HN      8 PHE  QB      3.84  
  8 PHE  HN      8 PHE  QD      6.82  
  8 PHE  HN      9 LEU  HN      3.27  
  8 PHE  HN     10 GLY  HN      3.83  
  8 PHE  HA      8 PHE  QD      5.74  
  8 PHE  HA     11 ARG  QB      4.92  
  8 PHE  QB      9 LEU  HN      4.58  
  8 PHE  QD      9 LEU  HN      7.47  
  8 PHE  QD     12 ILE  QD1     7.81  
  8 PHE  QE     12 ILE  QD1     7.69  
  9 LEU  HN      9 LEU  HB2     3.58  
  9 LEU  HN      9 LEU  HB3     3.58  
  9 LEU  HN      9 LEU  QB      2.80  
  9 LEU  HN      9 LEU  HG      5.50  
  9 LEU  HN      9 LEU  QQD     7.10  
  9 LEU  HN     10 GLY  HN      3.17  
  9 LEU  HA      9 LEU  QQD     5.83  
  9 LEU  HA     12 ILE  HN      3.67  
  9 LEU  HA     12 ILE  QG1     4.73  
  9 LEU  HA     12 ILE  QD1     5.81  
  9 LEU  HA     13 LEU  HN      3.70  
  9 LEU  HB2    10 GLY  HN      3.67  
  9 LEU  HB3    10 GLY  HN      3.67  
  9 LEU  QB     10 GLY  HN      3.02  
  9 LEU  HG     10 GLY  HN      5.50  
  9 LEU  QQD    10 GLY  HN      7.50  
 10 GLY  HN     10 GLY  HA2     2.90  
 10 GLY  HN     10 GLY  HA3     2.90  
 10 GLY  HN     10 GLY  QA      2.47  
 10 GLY  HN     11 ARG  HN      3.21  
 10 GLY  HA2    11 ARG  HN      3.55  
 10 GLY  HA3    11 ARG  HN      3.55  
 10 GLY  QA     11 ARG  HN      3.04  
 10 GLY  QA     13 LEU  HN      4.06  
 10 GLY  QA     13 LEU  QB      4.16  
 11 ARG  HN     11 ARG  HA      2.93  
 11 ARG  HN     11 ARG  QB      3.99  
 11 ARG  HN     11 ARG  HG2     4.38  
 11 ARG  HN     11 ARG  HG3     4.38  
 11 ARG  HN     11 ARG  QG      3.58  
 11 ARG  HA     11 ARG  HG2     3.70  
 11 ARG  HA     11 ARG  HG3     3.70  
 11 ARG  HA     11 ARG  HD2     4.14  
 11 ARG  HA     11 ARG  HD3     4.14  
 11 ARG  HA     11 ARG  QD      3.61  
 11 ARG  HA     12 ILE  HN      3.45  
 11 ARG  HA     13 LEU  HN      4.07  
 12 ILE  HN     12 ILE  HB      3.48  
 12 ILE  HN     12 ILE  QG2     4.75  
 12 ILE  HN     12 ILE  HG12    3.86  
 12 ILE  HN     12 ILE  HG13    3.86  
 12 ILE  HN     12 ILE  QD1     5.81  
 12 ILE  HN     13 LEU  HN      2.99  
 12 ILE  HA     12 ILE  QG2     3.91  
 12 ILE  HA     12 ILE  HG12    3.98  
 12 ILE  HA     12 ILE  HG13    3.98  
 12 ILE  HA     12 ILE  QG1     3.39  
 12 ILE  HA     12 ILE  QD1     4.94  
 12 ILE  HA     13 LEU  HN      3.36  
 12 ILE  HB     13 LEU  HN      3.70  
 12 ILE  QG2    12 ILE  QD1     5.43  
 12 ILE  QG2    13 LEU  HN      5.03  
 12 ILE  QG1    13 LEU  HN      4.47  
 12 ILE  QD1    13 LEU  HN      6.52  
 13 LEU  HN     13 LEU  QB      3.87  
 13 LEU  HN     13 LEU  HG      3.64  
 13 LEU  HN     13 LEU  QQD     6.14  
 13 LEU  HN     14 CNH2 HN1     3.76  
 13 LEU  HN     14 CNH2 HN2     4.66  
 13 LEU  HA     13 LEU  HG      2.96  
 13 LEU  HA     13 LEU  QQD     4.87  
 13 LEU  QB     14 CNH2 HN1     5.98  
 13 LEU  QQD    14 CNH2 HN1     7.60  
 13 LEU  QQD    14 CNH2 HN2     7.60  
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1          1H        PHE   1 -12.984   6.647   1.784
    2    H2   PHE   1          2H        PHE   1 -13.028   6.175   0.187
    3    H3   PHE   1          3H        PHE   1 -13.152   5.052   1.363
    4    HA   PHE   1           HA       PHE   1 -10.705   6.654   0.864
    5    HB2  PHE   1          2HB       PHE   1  -9.606   5.348   2.557
    6    HB3  PHE   1          1HB       PHE   1 -11.013   6.044   3.285
    7    HD1  PHE   1           HD1      PHE   1  -9.367   2.883   2.243
    8    HD2  PHE   1           HD2      PHE   1 -12.971   4.527   3.940
    9    HE1  PHE   1           HE1      PHE   1 -10.107   0.631   2.879
   10    HE2  PHE   1           HE2      PHE   1 -13.687   2.263   4.572
   11    HZ   PHE   1           HZ       PHE   1 -12.262   0.316   4.047
   12    H    VAL   2           H        VAL   2  -9.016   5.560  -0.291
   13    HA   VAL   2           HA       VAL   2  -9.979   3.490  -2.180
   14    HB   VAL   2           HB       VAL   2  -8.431   5.357  -2.847
   15   HG11  VAL   2          1HG1      VAL   2  -6.131   3.622  -1.773
   16   HG12  VAL   2          2HG1      VAL   2  -6.043   5.267  -2.451
   17   HG13  VAL   2          3HG1      VAL   2  -6.744   4.985  -0.836
   18   HG21  VAL   2          1HG2      VAL   2  -7.492   2.500  -3.553
   19   HG22  VAL   2          2HG2      VAL   2  -8.823   3.385  -4.332
   20   HG23  VAL   2          3HG2      VAL   2  -7.160   3.972  -4.493
   21    HA   PH6   3           HA       TCP   3  -8.466  -0.021   0.505
   22    HB2  PH6   3          1HB       TCP   3 -10.181  -1.230  -0.484
   23    HB3  PH6   3          2HB       TCP   3  -8.834  -2.047  -1.279
   24    HG2  PH6   3           HG       TCP   3  -9.006  -0.699  -3.282
   25    HD2  PH6   3          1HD       TCP   3 -10.932   1.269  -1.948
   26    HD3  PH6   3          2HD       TCP   3  -9.673   1.523  -3.192
   27    H1   PH6   3           H19      TCP   3 -10.260  -2.915  -3.952
   28    H61  PH6   3           H20      TCP   3 -12.321  -4.343  -3.766
   29    H62  PH6   3           H21      TCP   3 -13.143  -3.092  -2.832
   30    H21  PH6   3           H17      TCP   3 -11.902  -0.920  -2.256
   31    H22  PH6   3           H18      TCP   3 -10.724  -3.145  -2.268
   32    H51  PH6   3           H11      TCP   3 -13.877  -2.995  -5.242
   33    H52  PH6   3           H12      TCP   3 -12.202  -2.829  -5.773
   34    H41  PH6   3           H13      TCP   3 -13.318  -0.576  -5.748
   35    H42  PH6   3           H14      TCP   3 -13.762  -0.778  -4.053
   36    H31  PH6   3           H15      TCP   3 -11.730   0.639  -4.249
   37    H32  PH6   3           H16      TCP   3 -10.876  -0.600  -5.162
   38    H    TRP   4           H        TRP   4  -6.433   1.102   0.402
   39    HA   TRP   4           HA       TRP   4  -4.346   0.371  -1.519
   40    HB2  TRP   4          1HB       TRP   4  -4.363   1.695   1.241
   41    HB3  TRP   4          2HB       TRP   4  -2.861   1.127   0.647
   42    HD1  TRP   4           HD1      TRP   4  -3.104   2.001  -2.559
   43    HE1  TRP   4           HE1      TRP   4  -3.027   4.532  -3.275
   44    HE3  TRP   4           HE3      TRP   4  -4.288   3.937   2.015
   45    HZ2  TRP   4           HZ2      TRP   4  -3.357   6.972  -1.856
   46    HZ3  TRP   4           HZ3      TRP   4  -4.388   6.392   2.281
   47    HH2  TRP   4           HH2      TRP   4  -3.946   7.892   0.373
   48    H    PHE   5           H        PHE   5  -3.619  -1.513  -1.824
   49    HA   PHE   5           HA       PHE   5  -3.180  -3.548   0.424
   50    HB2  PHE   5          2HB       PHE   5  -3.262  -4.019  -2.623
   51    HB3  PHE   5          1HB       PHE   5  -3.151  -5.245  -1.391
   52    HD1  PHE   5           HD1      PHE   5  -5.428  -3.612  -3.516
   53    HD2  PHE   5           HD2      PHE   5  -5.133  -5.095   0.513
   54    HE1  PHE   5           HE1      PHE   5  -7.873  -3.798  -3.399
   55    HE2  PHE   5           HE2      PHE   5  -7.585  -5.260   0.622
   56    HZ   PHE   5           HZ       PHE   5  -8.959  -4.639  -1.339
   57    H    SER   6           H        SER   6  -1.483  -2.514  -2.521
   58    HA   SER   6           HA       SER   6   1.228  -3.382  -1.394
   59    HB2  SER   6          2HB       SER   6   0.395  -2.298  -4.169
   60    HB3  SER   6          1HB       SER   6   2.029  -2.765  -3.713
   61    HG   SER   6           HG       SER   6  -0.124  -4.576  -3.351
   62    H    LYS   7           H        LYS   7  -0.216  -1.180  -0.156
   63    HA   LYS   7           HA       LYS   7   1.489   1.264  -0.779
   64    HB2  LYS   7          2HB       LYS   7  -0.964   1.476  -0.279
   65    HB3  LYS   7          1HB       LYS   7  -0.701   0.864   1.356
   66    HG2  LYS   7          2HG       LYS   7  -0.902   3.285   1.400
   67    HG3  LYS   7          1HG       LYS   7   0.727   2.845   1.903
   68    HD2  LYS   7          2HD       LYS   7   1.776   3.683  -0.062
   69    HD3  LYS   7          1HD       LYS   7   0.411   3.346  -1.088
   70    HE2  LYS   7          2HE       LYS   7   0.711   5.771  -0.931
   71    HE3  LYS   7          1HE       LYS   7  -0.871   5.254  -0.366
   72    HZ1  LYS   7          1HZ       LYS   7   0.134   6.838   1.297
   73    HZ2  LYS   7          2HZ       LYS   7  -0.032   5.353   1.976
   74    HZ3  LYS   7          3HZ       LYS   7   1.447   5.840   1.500
   75    H    PHE   8           H        PHE   8   0.958  -0.859   2.013
   76    HA   PHE   8           HA       PHE   8   3.268   0.234   3.555
   77    HB2  PHE   8          2HB       PHE   8   1.027  -1.008   4.453
   78    HB3  PHE   8          1HB       PHE   8   1.877  -2.477   4.057
   79    HD1  PHE   8           HD1      PHE   8   2.456   0.841   5.796
   80    HD2  PHE   8           HD2      PHE   8   3.295  -3.378   5.805
   81    HE1  PHE   8           HE1      PHE   8   3.692   1.087   7.908
   82    HE2  PHE   8           HE2      PHE   8   4.490  -3.125   7.942
   83    HZ   PHE   8           HZ       PHE   8   4.702  -0.894   8.991
   84    H    LEU   9           H        LEU   9   2.717  -2.647   1.579
   85    HA   LEU   9           HA       LEU   9   5.540  -3.612   1.732
   86    HB2  LEU   9          2HB       LEU   9   3.012  -4.480   0.264
   87    HB3  LEU   9          1HB       LEU   9   4.487  -4.731  -0.612
   88    HG   LEU   9           HG       LEU   9   5.487  -5.932   1.437
   89   HD11  LEU   9          1HD1      LEU   9   2.537  -5.762   2.386
   90   HD12  LEU   9          2HD1      LEU   9   3.730  -6.912   3.038
   91   HD13  LEU   9          3HD1      LEU   9   3.981  -5.170   3.245
   92   HD21  LEU   9          1HD2      LEU   9   3.018  -7.084  -0.022
   93   HD22  LEU   9          2HD2      LEU   9   4.714  -7.130  -0.564
   94   HD23  LEU   9          3HD2      LEU   9   4.226  -8.049   0.869
   95    H    GLY  10           H        GLY  10   3.792  -1.564  -0.644
   96    HA2  GLY  10          1HA       GLY  10   5.912  -1.395  -2.666
   97    HA3  GLY  10          2HA       GLY  10   4.694  -0.169  -2.413
   98    H    ARG  11           H        ARG  11   5.448   0.573   0.200
   99    HA   ARG  11           HA       ARG  11   7.823   2.380  -0.233
  100    HB2  ARG  11          2HB       ARG  11   5.758   1.881   1.988
  101    HB3  ARG  11          1HB       ARG  11   7.273   2.469   2.512
  102    HG2  ARG  11          2HG       ARG  11   6.126   4.001   0.129
  103    HG3  ARG  11          1HG       ARG  11   5.189   4.059   1.620
  104    HD2  ARG  11          2HD       ARG  11   7.523   4.594   2.819
  105    HD3  ARG  11          1HD       ARG  11   8.145   4.908   1.192
  106    HE   ARG  11           HE       ARG  11   5.786   6.493   1.276
  107   HH11  ARG  11          1HH1      ARG  11   8.394   8.001   3.908
  108   HH12  ARG  11          2HH1      ARG  11   8.584   6.287   3.309
  109   HH21  ARG  11          1HH2      ARG  11   6.762   9.141   3.165
  110   HH22  ARG  11          2HH2      ARG  11   5.586   8.440   1.963
  111    H    ILE  12           H        ILE  12   7.274  -0.351   2.032
  112    HA   ILE  12           HA       ILE  12  10.084  -0.475   2.951
  113    HB   ILE  12           HB       ILE  12   8.006  -2.729   2.997
  114   HG12  ILE  12          2HG1      ILE  12   8.518  -0.632   5.216
  115   HG13  ILE  12          1HG1      ILE  12   7.128  -0.660   4.171
  116   HG21  ILE  12          1HG2      ILE  12   9.374  -3.624   4.956
  117   HG22  ILE  12          2HG2      ILE  12  10.345  -3.541   3.493
  118   HG23  ILE  12          3HG2      ILE  12  10.542  -2.296   4.742
  119   HD11  ILE  12          1HD1      ILE  12   6.083  -1.868   5.766
  120   HD12  ILE  12          2HD1      ILE  12   6.982  -3.278   5.182
  121   HD13  ILE  12          3HD1      ILE  12   7.602  -2.345   6.566
  122    H    LEU  13           H        LEU  13   8.452  -2.007   0.221
  123    HA   LEU  13           HA       LEU  13  10.385  -3.897  -0.695
  124    HB2  LEU  13          2HB       LEU  13   8.244  -2.137  -1.981
  125    HB3  LEU  13          1HB       LEU  13   9.448  -2.681  -3.074
  126    HG   LEU  13           HG       LEU  13   7.683  -4.568  -1.421
  127   HD11  LEU  13          1HD1      LEU  13   7.053  -5.043  -4.059
  128   HD12  LEU  13          2HD1      LEU  13   6.232  -3.811  -3.093
  129   HD13  LEU  13          3HD1      LEU  13   7.520  -3.346  -4.222
  130   HD21  LEU  13          1HD2      LEU  13   8.810  -6.246  -3.225
  131   HD22  LEU  13          2HD2      LEU  13  10.127  -5.050  -3.214
  132   HD23  LEU  13          3HD2      LEU  13   9.635  -5.855  -1.711
  133    HN1  NH2  14          1HN       NH2  14  12.248  -0.547  -2.189
  134    HN2  NH2  14          2HN       NH2  14  10.408  -0.514  -1.999
  Start of MODEL    2
    1    H1   PHE   1          1H        PHE   1 -13.110   6.999   1.662
    2    H2   PHE   1          2H        PHE   1 -13.657   5.779   0.676
    3    H3   PHE   1          3H        PHE   1 -13.087   5.420   2.165
    4    HA   PHE   1           HA       PHE   1 -11.442   6.522  -0.044
    5    HB2  PHE   1          2HB       PHE   1  -9.556   6.460   1.369
    6    HB3  PHE   1          1HB       PHE   1 -10.763   7.232   2.330
    7    HD1  PHE   1           HD1      PHE   1 -11.911   5.814   4.246
    8    HD2  PHE   1           HD2      PHE   1  -8.465   4.411   2.079
    9    HE1  PHE   1           HE1      PHE   1 -11.556   4.052   5.924
   10    HE2  PHE   1           HE2      PHE   1  -8.132   2.654   3.761
   11    HZ   PHE   1           HZ       PHE   1  -9.677   2.465   5.683
   12    H    VAL   2           H        VAL   2  -9.592   4.925  -0.579
   13    HA   VAL   2           HA       VAL   2 -10.704   2.104  -0.748
   14    HB   VAL   2           HB       VAL   2 -10.542   3.233  -2.956
   15   HG11  VAL   2          1HG1      VAL   2  -8.397   3.518  -4.129
   16   HG12  VAL   2          2HG1      VAL   2  -8.311   4.457  -2.621
   17   HG13  VAL   2          3HG1      VAL   2  -7.487   2.887  -2.736
   18   HG21  VAL   2          1HG2      VAL   2  -9.553   1.257  -4.152
   19   HG22  VAL   2          2HG2      VAL   2  -8.850   0.673  -2.630
   20   HG23  VAL   2          3HG2      VAL   2 -10.620   0.760  -2.828
   21    HA   PH6   3           HA       TCP   3  -6.978   1.118   1.792
   22    HB2  PH6   3          1HB       TCP   3  -8.103  -0.594   2.745
   23    HB3  PH6   3          2HB       TCP   3  -7.135  -1.653   1.734
   24    HG2  PH6   3           HG       TCP   3  -8.793  -1.870   0.062
   25    HD2  PH6   3          1HD       TCP   3 -10.515   0.476   0.879
   26    HD3  PH6   3          2HD       TCP   3 -10.030  -0.128  -0.717
   27    H1   PH6   3           H19      TCP   3  -9.718  -3.007   2.034
   28    H61  PH6   3           H20      TCP   3  -9.938  -1.172   3.698
   29    H62  PH6   3           H21      TCP   3 -11.168  -0.372   2.739
   30    H21  PH6   3           H17      TCP   3 -11.005  -3.097  -0.096
   31    H22  PH6   3           H18      TCP   3 -11.852  -1.609   0.297
   32    H51  PH6   3           H11      TCP   3 -12.227  -1.620   4.572
   33    H52  PH6   3           H12      TCP   3 -11.408  -3.114   4.109
   34    H41  PH6   3           H13      TCP   3 -13.777  -3.119   3.258
   35    H42  PH6   3           H14      TCP   3 -13.510  -1.594   2.414
   36    H31  PH6   3           H15      TCP   3 -13.333  -3.502   0.798
   37    H32  PH6   3           H16      TCP   3 -12.103  -4.285   1.792
   38    H    TRP   4           H        TRP   4  -5.064   1.470   0.960
   39    HA   TRP   4           HA       TRP   4  -4.160   0.273  -1.682
   40    HB2  TRP   4          1HB       TRP   4  -2.990   2.501   0.091
   41    HB3  TRP   4          2HB       TRP   4  -2.260   1.882  -1.357
   42    HD1  TRP   4           HD1      TRP   4  -5.279   4.035  -0.305
   43    HE1  TRP   4           HE1      TRP   4  -6.206   5.414  -2.364
   44    HE3  TRP   4           HE3      TRP   4  -2.446   1.742  -3.884
   45    HZ2  TRP   4           HZ2      TRP   4  -5.617   5.403  -5.141
   46    HZ3  TRP   4           HZ3      TRP   4  -2.657   2.486  -6.234
   47    HH2  TRP   4           HH2      TRP   4  -4.229   4.275  -6.857
   48    H    PHE   5           H        PHE   5  -3.948  -1.858  -0.899
   49    HA   PHE   5           HA       PHE   5  -2.005  -2.671   1.116
   50    HB2  PHE   5          2HB       PHE   5  -2.761  -4.654  -1.074
   51    HB3  PHE   5          1HB       PHE   5  -2.447  -4.930   0.602
   52    HD1  PHE   5           HD1      PHE   5  -4.302  -4.307   2.331
   53    HD2  PHE   5           HD2      PHE   5  -4.964  -4.130  -1.916
   54    HE1  PHE   5           HE1      PHE   5  -6.742  -4.344   2.695
   55    HE2  PHE   5           HE2      PHE   5  -7.389  -4.142  -1.536
   56    HZ   PHE   5           HZ       PHE   5  -8.284  -4.295   0.758
   57    H    SER   6           H        SER   6  -1.739  -3.023  -2.422
   58    HA   SER   6           HA       SER   6   1.081  -3.633  -2.707
   59    HB2  SER   6          2HB       SER   6   0.739  -2.544  -5.042
   60    HB3  SER   6          1HB       SER   6  -0.270  -3.914  -4.628
   61    HG   SER   6           HG       SER   6  -1.095  -1.190  -4.337
   62    H    LYS   7           H        LYS   7  -0.397  -0.435  -2.296
   63    HA   LYS   7           HA       LYS   7   2.090   1.125  -2.713
   64    HB2  LYS   7          2HB       LYS   7  -0.524   1.875  -2.620
   65    HB3  LYS   7          1HB       LYS   7  -0.189   2.059  -0.907
   66    HG2  LYS   7          2HG       LYS   7   0.043   4.187  -1.878
   67    HG3  LYS   7          1HG       LYS   7   1.680   3.708  -1.512
   68    HD2  LYS   7          2HD       LYS   7   0.656   2.970  -4.322
   69    HD3  LYS   7          1HD       LYS   7   0.675   4.679  -3.967
   70    HE2  LYS   7          2HE       LYS   7   3.203   4.348  -3.208
   71    HE3  LYS   7          1HE       LYS   7   3.103   2.735  -3.911
   72    HZ1  LYS   7          1HZ       LYS   7   3.874   4.414  -5.599
   73    HZ2  LYS   7          2HZ       LYS   7   2.425   3.795  -6.077
   74    HZ3  LYS   7          3HZ       LYS   7   2.493   5.287  -5.410
   75    H    PHE   8           H        PHE   8   0.619  -0.301   0.149
   76    HA   PHE   8           HA       PHE   8   2.621   0.601   2.147
   77    HB2  PHE   8          2HB       PHE   8   0.225  -1.262   2.067
   78    HB3  PHE   8          1HB       PHE   8   1.511  -1.939   2.986
   79    HD1  PHE   8           HD1      PHE   8   1.955  -1.185   5.205
   80    HD2  PHE   8           HD2      PHE   8  -0.509   1.220   2.639
   81    HE1  PHE   8           HE1      PHE   8   1.447   0.305   7.095
   82    HE2  PHE   8           HE2      PHE   8  -1.035   2.699   4.542
   83    HZ   PHE   8           HZ       PHE   8  -0.053   2.249   6.772
   84    H    LEU   9           H        LEU   9   2.254  -2.579   0.510
   85    HA   LEU   9           HA       LEU   9   4.873  -3.603   1.224
   86    HB2  LEU   9          2HB       LEU   9   2.729  -4.416  -0.689
   87    HB3  LEU   9          1HB       LEU   9   4.274  -4.595  -1.434
   88    HG   LEU   9           HG       LEU   9   5.025  -5.859   0.794
   89   HD11  LEU   9          1HD1      LEU   9   2.984  -5.308   2.164
   90   HD12  LEU   9          2HD1      LEU   9   1.939  -6.115   0.972
   91   HD13  LEU   9          3HD1      LEU   9   3.111  -7.062   1.919
   92   HD21  LEU   9          1HD2      LEU   9   3.094  -7.117  -1.258
   93   HD22  LEU   9          2HD2      LEU   9   4.860  -6.944  -1.417
   94   HD23  LEU   9          3HD2      LEU   9   4.190  -8.014  -0.174
   95    H    GLY  10           H        GLY  10   4.106  -1.663  -1.707
   96    HA2  GLY  10          1HA       GLY  10   6.757  -1.495  -2.880
   97    HA3  GLY  10          2HA       GLY  10   5.555  -0.232  -2.987
   98    H    ARG  11           H        ARG  11   5.443   0.635  -0.352
   99    HA   ARG  11           HA       ARG  11   7.960   2.227   0.018
  100    HB2  ARG  11          2HB       ARG  11   5.258   1.998   1.451
  101    HB3  ARG  11          1HB       ARG  11   6.569   2.642   2.374
  102    HG2  ARG  11          2HG       ARG  11   6.067   3.816  -0.422
  103    HG3  ARG  11          1HG       ARG  11   4.996   4.251   0.907
  104    HD2  ARG  11          2HD       ARG  11   6.887   5.050   2.303
  105    HD3  ARG  11          1HD       ARG  11   8.077   4.515   1.097
  106    HE   ARG  11           HE       ARG  11   6.270   6.326  -0.277
  107   HH11  ARG  11          1HH1      ARG  11   9.008   8.251   1.920
  108   HH12  ARG  11          2HH1      ARG  11   8.620   6.500   2.278
  109   HH21  ARG  11          1HH2      ARG  11   7.977   9.209   0.317
  110   HH22  ARG  11          2HH2      ARG  11   6.736   8.317  -0.672
  111    H    ILE  12           H        ILE  12   6.499  -0.411   1.976
  112    HA   ILE  12           HA       ILE  12   8.818  -0.610   3.805
  113    HB   ILE  12           HB       ILE  12   6.727  -2.766   3.259
  114   HG12  ILE  12          2HG1      ILE  12   6.545  -0.559   5.407
  115   HG13  ILE  12          1HG1      ILE  12   5.596  -0.628   3.948
  116   HG21  ILE  12          1HG2      ILE  12   9.064  -2.747   5.099
  117   HG22  ILE  12          2HG2      ILE  12   7.590  -2.889   6.040
  118   HG23  ILE  12          3HG2      ILE  12   7.914  -4.046   4.740
  119   HD11  ILE  12          1HD1      ILE  12   4.120  -1.508   5.571
  120   HD12  ILE  12          2HD1      ILE  12   4.695  -2.968   4.729
  121   HD13  ILE  12          3HD1      ILE  12   5.352  -2.528   6.327
  122    H    LEU  13           H        LEU  13   8.148  -2.297   0.730
  123    HA   LEU  13           HA       LEU  13  10.253  -4.185   0.537
  124    HB2  LEU  13          2HB       LEU  13   8.767  -2.374  -1.404
  125    HB3  LEU  13          1HB       LEU  13  10.244  -2.970  -2.034
  126    HG   LEU  13           HG       LEU  13   8.187  -4.920  -0.851
  127   HD11  LEU  13          1HD1      LEU  13   6.909  -3.894  -2.597
  128   HD12  LEU  13          2HD1      LEU  13   8.310  -3.654  -3.661
  129   HD13  LEU  13          3HD1      LEU  13   7.627  -5.278  -3.422
  130   HD21  LEU  13          1HD2      LEU  13   9.413  -6.580  -2.255
  131   HD22  LEU  13          2HD2      LEU  13  10.454  -5.305  -2.936
  132   HD23  LEU  13          3HD2      LEU  13  10.590  -5.747  -1.219
  133    HN1  NH2  14          1HN       NH2  14  12.653  -0.908  -0.082
  134    HN2  NH2  14          2HN       NH2  14  10.847  -0.718  -0.406
  Start of MODEL    3
    1    H1   PHE   1          1H        PHE   1 -11.119   7.501   3.018
    2    H2   PHE   1          2H        PHE   1 -11.688   6.931   1.563
    3    H3   PHE   1          3H        PHE   1 -11.652   5.942   2.864
    4    HA   PHE   1           HA       PHE   1  -9.237   7.040   1.537
    5    HB2  PHE   1          2HB       PHE   1  -7.908   5.722   3.053
    6    HB3  PHE   1          1HB       PHE   1  -8.956   6.704   4.012
    7    HD1  PHE   1           HD1      PHE   1 -10.880   5.604   5.303
    8    HD2  PHE   1           HD2      PHE   1  -8.074   3.236   3.050
    9    HE1  PHE   1           HE1      PHE   1 -11.713   3.562   6.388
   10    HE2  PHE   1           HE2      PHE   1  -8.917   1.208   4.150
   11    HZ   PHE   1           HZ       PHE   1 -10.741   1.363   5.814
   12    H    VAL   2           H        VAL   2  -7.818   5.164   0.709
   13    HA   VAL   2           HA       VAL   2  -9.568   3.110  -0.687
   14    HB   VAL   2           HB       VAL   2  -8.575   4.836  -2.210
   15   HG11  VAL   2          1HG1      VAL   2  -6.229   4.676  -2.939
   16   HG12  VAL   2          2HG1      VAL   2  -6.219   4.957  -1.183
   17   HG13  VAL   2          3HG1      VAL   2  -5.919   3.331  -1.816
   18   HG21  VAL   2          1HG2      VAL   2  -7.805   1.917  -2.838
   19   HG22  VAL   2          2HG2      VAL   2  -9.418   2.642  -3.064
   20   HG23  VAL   2          3HG2      VAL   2  -8.045   3.228  -4.015
   21    HA   PH6   3           HA       TCP   3  -6.899   0.123   1.641
   22    HB2  PH6   3          1HB       TCP   3  -8.678  -1.269   1.752
   23    HB3  PH6   3          2HB       TCP   3  -7.837  -2.222   0.543
   24    HG2  PH6   3           HG       TCP   3  -9.039  -1.328  -1.278
   25    HD2  PH6   3          1HD       TCP   3 -10.211   1.078   0.133
   26    HD3  PH6   3          2HD       TCP   3  -9.512   0.895  -1.489
   27    H1   PH6   3           H19      TCP   3 -12.755  -2.829   1.668
   28    H61  PH6   3           H20      TCP   3 -14.772  -1.752   0.619
   29    H62  PH6   3           H21      TCP   3 -13.910  -0.223   0.453
   30    H21  PH6   3           H17      TCP   3 -11.456  -0.050   1.474
   31    H22  PH6   3           H18      TCP   3 -13.209  -1.379   2.567
   32    H51  PH6   3           H11      TCP   3 -13.903  -1.443  -1.736
   33    H52  PH6   3           H12      TCP   3 -13.196  -2.874  -0.985
   34    H41  PH6   3           H13      TCP   3 -11.416  -1.582  -2.147
   35    H42  PH6   3           H14      TCP   3 -11.883  -0.112  -1.307
   36    H31  PH6   3           H15      TCP   3 -10.669  -2.644  -0.022
   37    H32  PH6   3           H16      TCP   3 -10.753  -1.487   2.190
   38    H    TRP   4           H        TRP   4  -5.045   0.962   0.703
   39    HA   TRP   4           HA       TRP   4  -3.909  -0.096  -1.826
   40    HB2  TRP   4          2HB       TRP   4  -2.880   1.668   0.463
   41    HB3  TRP   4          1HB       TRP   4  -1.744   1.031  -0.665
   42    HD1  TRP   4           HD1      TRP   4  -3.579   1.395  -3.467
   43    HE1  TRP   4           HE1      TRP   4  -3.839   3.790  -4.529
   44    HE3  TRP   4           HE3      TRP   4  -2.560   4.035   0.788
   45    HZ2  TRP   4           HZ2      TRP   4  -3.552   6.412  -3.505
   46    HZ3  TRP   4           HZ3      TRP   4  -2.632   6.505   0.693
   47    HH2  TRP   4           HH2      TRP   4  -3.131   7.678  -1.416
   48    H    PHE   5           H        PHE   5  -3.837  -2.249  -1.790
   49    HA   PHE   5           HA       PHE   5  -2.510  -3.838   0.294
   50    HB2  PHE   5          2HB       PHE   5  -3.144  -4.914  -2.504
   51    HB3  PHE   5          1HB       PHE   5  -3.028  -5.791  -1.015
   52    HD1  PHE   5           HD1      PHE   5  -4.875  -4.907   0.892
   53    HD2  PHE   5           HD2      PHE   5  -5.293  -4.558  -3.378
   54    HE1  PHE   5           HE1      PHE   5  -7.325  -4.775   1.127
   55    HE2  PHE   5           HE2      PHE   5  -7.731  -4.414  -3.122
   56    HZ   PHE   5           HZ       PHE   5  -8.754  -4.524  -0.876
   57    H    SER   6           H        SER   6  -1.575  -3.745  -3.138
   58    HA   SER   6           HA       SER   6   1.296  -4.372  -2.698
   59    HB2  SER   6          2HB       SER   6   0.112  -4.990  -4.790
   60    HB3  SER   6          1HB       SER   6  -0.269  -3.302  -5.138
   61    HG   SER   6           HG       SER   6   2.302  -4.526  -5.096
   62    H    LYS   7           H        LYS   7  -0.387  -1.284  -3.325
   63    HA   LYS   7           HA       LYS   7   1.905   0.512  -3.338
   64    HB2  LYS   7          2HB       LYS   7  -1.072   0.733  -2.812
   65    HB3  LYS   7          1HB       LYS   7  -0.155   2.016  -2.104
   66    HG2  LYS   7          2HG       LYS   7   0.125   1.272  -5.084
   67    HG3  LYS   7          1HG       LYS   7  -1.101   2.368  -4.466
   68    HD2  LYS   7          2HD       LYS   7   0.585   3.872  -3.453
   69    HD3  LYS   7          1HD       LYS   7   1.912   2.839  -3.985
   70    HE2  LYS   7          2HE       LYS   7   1.521   3.276  -6.349
   71    HE3  LYS   7          1HE       LYS   7  -0.101   3.916  -6.075
   72    HZ1  LYS   7          1HZ       LYS   7   1.533   5.770  -6.363
   73    HZ2  LYS   7          2HZ       LYS   7   0.880   5.828  -4.856
   74    HZ3  LYS   7          3HZ       LYS   7   2.404   5.259  -5.059
   75    H    PHE   8           H        PHE   8   0.262  -0.795  -0.501
   76    HA   PHE   8           HA       PHE   8   1.914   0.654   1.525
   77    HB2  PHE   8          2HB       PHE   8  -0.206  -1.505   1.560
   78    HB3  PHE   8          1HB       PHE   8   1.042  -1.849   2.661
   79    HD1  PHE   8           HD1      PHE   8  -0.798   1.343   1.656
   80    HD2  PHE   8           HD2      PHE   8   0.653  -1.154   4.838
   81    HE1  PHE   8           HE1      PHE   8  -1.644   2.956   3.317
   82    HE2  PHE   8           HE2      PHE   8  -0.192   0.456   6.486
   83    HZ   PHE   8           HZ       PHE   8  -1.335   2.520   5.735
   84    H    LEU   9           H        LEU   9   2.055  -2.738   0.367
   85    HA   LEU   9           HA       LEU   9   4.663  -3.348   1.473
   86    HB2  LEU   9          2HB       LEU   9   2.796  -4.656  -0.447
   87    HB3  LEU   9          1HB       LEU   9   4.416  -4.780  -1.040
   88    HG   LEU   9           HG       LEU   9   5.140  -5.685   1.288
   89   HD11  LEU   9          1HD1      LEU   9   2.076  -6.017   1.646
   90   HD12  LEU   9          2HD1      LEU   9   3.339  -6.679   2.713
   91   HD13  LEU   9          3HD1      LEU   9   3.103  -4.926   2.602
   92   HD21  LEU   9          1HD2      LEU   9   4.942  -7.171  -0.655
   93   HD22  LEU   9          2HD2      LEU   9   4.223  -8.000   0.738
   94   HD23  LEU   9          3HD2      LEU   9   3.170  -7.262  -0.496
   95    H    GLY  10           H        GLY  10   4.028  -1.931  -1.765
   96    HA2  GLY  10          1HA       GLY  10   6.767  -1.593  -2.689
   97    HA3  GLY  10          2HA       GLY  10   5.450  -0.519  -3.095
   98    H    ARG  11           H        ARG  11   4.938   0.675  -0.627
   99    HA   ARG  11           HA       ARG  11   7.228   2.574  -0.246
  100    HB2  ARG  11          2HB       ARG  11   4.424   2.264   0.932
  101    HB3  ARG  11          1HB       ARG  11   5.564   3.117   1.915
  102    HG2  ARG  11          2HG       ARG  11   5.041   3.919  -1.015
  103    HG3  ARG  11          1HG       ARG  11   4.100   4.505   0.338
  104    HD2  ARG  11          2HD       ARG  11   5.613   6.262   0.392
  105    HD3  ARG  11          1HD       ARG  11   6.520   5.182   1.396
  106    HE   ARG  11           HE       ARG  11   8.201   4.966  -0.309
  107   HH11  ARG  11          1HH1      ARG  11   6.209   6.711  -3.307
  108   HH12  ARG  11          2HH1      ARG  11   5.354   6.288  -1.737
  109   HH21  ARG  11          1HH2      ARG  11   8.282   6.216  -3.472
  110   HH22  ARG  11          2HH2      ARG  11   9.173   5.431  -2.093
  111    H    ILE  12           H        ILE  12   5.811   0.094   1.929
  112    HA   ILE  12           HA       ILE  12   7.904   0.403   3.992
  113    HB   ILE  12           HB       ILE  12   6.112  -2.030   3.561
  114   HG12  ILE  12          2HG1      ILE  12   5.443   0.421   5.310
  115   HG13  ILE  12          1HG1      ILE  12   4.702   0.038   3.785
  116   HG21  ILE  12          1HG2      ILE  12   7.246  -2.939   5.330
  117   HG22  ILE  12          2HG2      ILE  12   8.179  -1.465   5.632
  118   HG23  ILE  12          3HG2      ILE  12   6.612  -1.680   6.400
  119   HD11  ILE  12          1HD1      ILE  12   4.170  -2.367   5.060
  120   HD12  ILE  12          2HD1      ILE  12   4.157  -1.239   6.436
  121   HD13  ILE  12          3HD1      ILE  12   3.076  -0.967   5.052
  122    H    LEU  13           H        LEU  13   7.775  -1.772   1.154
  123    HA   LEU  13           HA       LEU  13  10.097  -3.370   1.456
  124    HB2  LEU  13          2HB       LEU  13   8.695  -2.017  -0.888
  125    HB3  LEU  13          1HB       LEU  13  10.291  -2.541  -1.244
  126    HG   LEU  13           HG       LEU  13   8.248  -4.482  -0.028
  127   HD11  LEU  13          1HD1      LEU  13   8.128  -5.311  -2.550
  128   HD12  LEU  13          2HD1      LEU  13   7.186  -3.889  -2.093
  129   HD13  LEU  13          3HD1      LEU  13   8.717  -3.688  -2.970
  130   HD21  LEU  13          1HD2      LEU  13  10.716  -5.146  -1.767
  131   HD22  LEU  13          2HD2      LEU  13  10.850  -4.998  -0.005
  132   HD23  LEU  13          3HD2      LEU  13   9.778  -6.224  -0.703
  133    HN1  NH2  14          1HN       NH2  14  12.119   0.122   0.878
  134    HN2  NH2  14          2HN       NH2  14  10.306   0.117   0.570
  Start of MODEL    4
    1    H1   PHE   1          1H        PHE   1 -11.148   7.646   2.694
    2    H2   PHE   1          2H        PHE   1 -11.396   7.122   1.127
    3    H3   PHE   1          3H        PHE   1 -11.845   6.181   2.382
    4    HA   PHE   1           HA       PHE   1  -9.022   6.818   1.748
    5    HB2  PHE   1          2HB       PHE   1  -8.421   5.192   3.500
    6    HB3  PHE   1          1HB       PHE   1  -9.260   6.547   4.175
    7    HD1  PHE   1           HD1      PHE   1 -11.728   6.260   4.901
    8    HD2  PHE   1           HD2      PHE   1  -9.317   2.884   3.720
    9    HE1  PHE   1           HE1      PHE   1 -13.387   4.728   5.853
   10    HE2  PHE   1           HE2      PHE   1 -10.972   1.372   4.736
   11    HZ   PHE   1           HZ       PHE   1 -13.010   2.289   5.790
   12    H    VAL   2           H        VAL   2  -7.839   5.127   0.738
   13    HA   VAL   2           HA       VAL   2  -9.573   3.048  -0.626
   14    HB   VAL   2           HB       VAL   2  -8.609   4.798  -2.144
   15   HG11  VAL   2          1HG1      VAL   2  -5.956   3.267  -1.838
   16   HG12  VAL   2          2HG1      VAL   2  -6.267   4.706  -2.843
   17   HG13  VAL   2          3HG1      VAL   2  -6.227   4.832  -1.066
   18   HG21  VAL   2          1HG2      VAL   2  -8.069   3.169  -3.956
   19   HG22  VAL   2          2HG2      VAL   2  -7.857   1.870  -2.763
   20   HG23  VAL   2          3HG2      VAL   2  -9.456   2.616  -3.006
   21    HA   PH6   3           HA       TCP   3  -6.856   0.055   1.657
   22    HB2  PH6   3          1HB       TCP   3  -8.593  -1.395   1.699
   23    HB3  PH6   3          2HB       TCP   3  -7.736  -2.264   0.445
   24    HG2  PH6   3           HG       TCP   3  -8.970  -1.318  -1.334
   25    HD2  PH6   3          1HD       TCP   3 -10.173   1.020   0.166
   26    HD3  PH6   3          2HD       TCP   3  -9.486   0.893  -1.456
   27    H1   PH6   3           H19      TCP   3 -10.582  -2.675  -0.067
   28    H61  PH6   3           H20      TCP   3 -10.631  -1.474   2.160
   29    H62  PH6   3           H21      TCP   3 -11.395  -0.076   1.437
   30    H21  PH6   3           H17      TCP   3 -11.349  -1.577  -2.181
   31    H22  PH6   3           H18      TCP   3 -11.831  -0.130  -1.309
   32    H51  PH6   3           H11      TCP   3 -13.066  -1.450   2.572
   33    H52  PH6   3           H12      TCP   3 -12.596  -2.884   1.652
   34    H41  PH6   3           H13      TCP   3 -14.656  -1.815   0.644
   35    H42  PH6   3           H14      TCP   3 -13.804  -0.281   0.466
   36    H31  PH6   3           H15      TCP   3 -13.831  -1.526  -1.728
   37    H32  PH6   3           H16      TCP   3 -13.068  -2.928  -0.975
   38    H    TRP   4           H        TRP   4  -5.009   0.915   0.775
   39    HA   TRP   4           HA       TRP   4  -3.894  -0.053  -1.830
   40    HB2  TRP   4          1HB       TRP   4  -2.879   1.697   0.469
   41    HB3  TRP   4          2HB       TRP   4  -1.750   1.063  -0.666
   42    HD1  TRP   4           HD1      TRP   4  -3.521   1.440  -3.473
   43    HE1  TRP   4           HE1      TRP   4  -3.868   3.841  -4.500
   44    HE3  TRP   4           HE3      TRP   4  -2.626   4.038   0.826
   45    HZ2  TRP   4           HZ2      TRP   4  -3.661   6.457  -3.430
   46    HZ3  TRP   4           HZ3      TRP   4  -2.743   6.505   0.772
   47    HH2  TRP   4           HH2      TRP   4  -3.272   7.702  -1.319
   48    H    PHE   5           H        PHE   5  -3.930  -2.224  -1.700
   49    HA   PHE   5           HA       PHE   5  -2.568  -3.812   0.317
   50    HB2  PHE   5          2HB       PHE   5  -3.165  -4.843  -2.525
   51    HB3  PHE   5          1HB       PHE   5  -3.012  -5.758  -1.064
   52    HD1  PHE   5           HD1      PHE   5  -4.901  -5.642   0.678
   53    HD2  PHE   5           HD2      PHE   5  -5.244  -3.757  -3.172
   54    HE1  PHE   5           HE1      PHE   5  -7.348  -5.518   0.945
   55    HE2  PHE   5           HE2      PHE   5  -7.679  -3.623  -2.888
   56    HZ   PHE   5           HZ       PHE   5  -8.742  -4.519  -0.843
   57    H    SER   6           H        SER   6  -1.632  -3.709  -3.078
   58    HA   SER   6           HA       SER   6   1.243  -4.329  -2.635
   59    HB2  SER   6          2HB       SER   6  -0.570  -4.025  -4.998
   60    HB3  SER   6          1HB       SER   6   0.904  -3.129  -5.265
   61    HG   SER   6           HG       SER   6   0.569  -5.793  -5.238
   62    H    LYS   7           H        LYS   7  -0.458  -1.294  -3.230
   63    HA   LYS   7           HA       LYS   7   1.840   0.526  -3.344
   64    HB2  LYS   7          2HB       LYS   7  -1.130   0.748  -2.914
   65    HB3  LYS   7          1HB       LYS   7  -0.283   1.922  -1.961
   66    HG2  LYS   7          2HG       LYS   7   0.264   1.585  -4.948
   67    HG3  LYS   7          1HG       LYS   7  -1.003   2.630  -4.335
   68    HD2  LYS   7          2HD       LYS   7   0.431   4.167  -3.252
   69    HD3  LYS   7          1HD       LYS   7   1.726   3.036  -3.029
   70    HE2  LYS   7          2HE       LYS   7   2.830   3.695  -4.877
   71    HE3  LYS   7          1HE       LYS   7   1.534   3.147  -5.912
   72    HZ1  LYS   7          1HZ       LYS   7   1.845   5.583  -6.221
   73    HZ2  LYS   7          2HZ       LYS   7   0.374   5.359  -5.524
   74    HZ3  LYS   7          3HZ       LYS   7   1.631   5.889  -4.619
   75    H    PHE   8           H        PHE   8   0.304  -0.854  -0.511
   76    HA   PHE   8           HA       PHE   8   1.917   0.652   1.518
   77    HB2  PHE   8          2HB       PHE   8  -0.098  -1.655   1.543
   78    HB3  PHE   8          1HB       PHE   8   1.100  -1.739   2.754
   79    HD1  PHE   8           HD1      PHE   8   0.257  -1.055   4.787
   80    HD2  PHE   8           HD2      PHE   8  -0.713   1.301   1.336
   81    HE1  PHE   8           HE1      PHE   8  -0.893   0.573   6.219
   82    HE2  PHE   8           HE2      PHE   8  -1.874   2.928   2.768
   83    HZ   PHE   8           HZ       PHE   8  -1.966   2.572   5.217
   84    H    LEU   9           H        LEU   9   2.060  -2.731   0.384
   85    HA   LEU   9           HA       LEU   9   4.664  -3.360   1.508
   86    HB2  LEU   9          2HB       LEU   9   2.746  -4.596  -0.399
   87    HB3  LEU   9          1HB       LEU   9   4.309  -4.755  -1.067
   88    HG   LEU   9           HG       LEU   9   4.140  -5.470   1.901
   89   HD11  LEU   9          1HD1      LEU   9   2.976  -7.358  -0.230
   90   HD12  LEU   9          2HD1      LEU   9   3.082  -7.607   1.535
   91   HD13  LEU   9          3HD1      LEU   9   1.992  -6.373   0.884
   92   HD21  LEU   9          1HD2      LEU   9   5.572  -6.657  -0.579
   93   HD22  LEU   9          2HD2      LEU   9   6.312  -5.782   0.778
   94   HD23  LEU   9          3HD2      LEU   9   5.626  -7.398   1.032
   95    H    GLY  10           H        GLY  10   3.980  -1.868  -1.635
   96    HA2  GLY  10          1HA       GLY  10   6.733  -1.627  -2.647
   97    HA3  GLY  10          2HA       GLY  10   5.423  -0.543  -3.059
   98    H    ARG  11           H        ARG  11   4.952   0.595  -0.538
   99    HA   ARG  11           HA       ARG  11   7.252   2.510  -0.268
  100    HB2  ARG  11          2HB       ARG  11   4.434   2.319   0.927
  101    HB3  ARG  11          1HB       ARG  11   5.601   3.134   1.914
  102    HG2  ARG  11          2HG       ARG  11   5.129   3.905  -1.017
  103    HG3  ARG  11          1HG       ARG  11   4.267   4.654   0.312
  104    HD2  ARG  11          2HD       ARG  11   7.372   4.588   0.210
  105    HD3  ARG  11          1HD       ARG  11   6.472   5.836  -0.636
  106    HE   ARG  11           HE       ARG  11   5.379   6.024   1.972
  107   HH11  ARG  11          1HH1      ARG  11   9.236   6.981   2.291
  108   HH12  ARG  11          2HH1      ARG  11   8.682   5.913   0.919
  109   HH21  ARG  11          1HH2      ARG  11   7.787   7.693   3.664
  110   HH22  ARG  11          2HH2      ARG  11   6.030   7.248   3.500
  111    H    ILE  12           H        ILE  12   5.841   0.105   1.923
  112    HA   ILE  12           HA       ILE  12   7.907   0.405   4.033
  113    HB   ILE  12           HB       ILE  12   6.139  -2.042   3.500
  114   HG12  ILE  12          2HG1      ILE  12   5.442   0.406   5.259
  115   HG13  ILE  12          1HG1      ILE  12   4.682  -0.017   3.751
  116   HG21  ILE  12          1HG2      ILE  12   7.521  -1.091   6.116
  117   HG22  ILE  12          2HG2      ILE  12   6.482  -2.532   5.964
  118   HG23  ILE  12          3HG2      ILE  12   8.027  -2.477   5.128
  119   HD11  ILE  12          1HD1      ILE  12   4.262  -1.321   6.428
  120   HD12  ILE  12          2HD1      ILE  12   3.087  -0.971   5.132
  121   HD13  ILE  12          3HD1      ILE  12   4.158  -2.388   5.008
  122    H    LEU  13           H        LEU  13   7.763  -1.651   1.142
  123    HA   LEU  13           HA       LEU  13   9.997  -3.381   1.469
  124    HB2  LEU  13          2HB       LEU  13   8.620  -2.014  -0.876
  125    HB3  LEU  13          1HB       LEU  13  10.217  -2.512  -1.241
  126    HG   LEU  13           HG       LEU  13   8.177  -4.487  -0.073
  127   HD11  LEU  13          1HD1      LEU  13   8.725  -3.613  -2.978
  128   HD12  LEU  13          2HD1      LEU  13   8.189  -5.272  -2.636
  129   HD13  LEU  13          3HD1      LEU  13   7.173  -3.905  -2.164
  130   HD21  LEU  13          1HD2      LEU  13   9.758  -6.202  -0.740
  131   HD22  LEU  13          2HD2      LEU  13  10.733  -5.069  -1.716
  132   HD23  LEU  13          3HD2      LEU  13  10.764  -4.980   0.053
  133    HN1  NH2  14          1HN       NH2  14  12.088   0.062   0.845
  134    HN2  NH2  14          2HN       NH2  14  10.299   0.020   0.418
  Start of MODEL    5
    1    H1   PHE   1          1H        PHE   1 -11.910   7.733   1.389
    2    H2   PHE   1          2H        PHE   1 -12.659   6.496   0.560
    3    H3   PHE   1          3H        PHE   1 -12.086   6.229   2.060
    4    HA   PHE   1           HA       PHE   1 -10.367   6.797  -0.294
    5    HB2  PHE   1          2HB       PHE   1  -8.451   6.412   1.146
    6    HB3  PHE   1          1HB       PHE   1  -9.391   7.685   1.844
    7    HD1  PHE   1           HD1      PHE   1 -10.639   7.272   4.021
    8    HD2  PHE   1           HD2      PHE   1  -8.217   4.165   2.267
    9    HE1  PHE   1           HE1      PHE   1 -10.785   5.966   6.095
   10    HE2  PHE   1           HE2      PHE   1  -8.374   2.883   4.355
   11    HZ   PHE   1           HZ       PHE   1  -9.653   3.778   6.271
   12    H    VAL   2           H        VAL   2  -8.887   4.908  -0.768
   13    HA   VAL   2           HA       VAL   2 -10.404   2.302  -0.461
   14    HB   VAL   2           HB       VAL   2 -10.239   3.210  -2.796
   15   HG11  VAL   2          1HG1      VAL   2  -7.333   2.192  -2.736
   16   HG12  VAL   2          2HG1      VAL   2  -8.181   2.968  -4.096
   17   HG13  VAL   2          3HG1      VAL   2  -7.724   3.914  -2.657
   18   HG21  VAL   2          1HG2      VAL   2 -10.787   0.814  -2.301
   19   HG22  VAL   2          2HG2      VAL   2  -9.894   0.984  -3.816
   20   HG23  VAL   2          3HG2      VAL   2  -9.057   0.395  -2.362
   21    HA   PH6   3           HA       TCP   3  -6.637   0.909   1.881
   22    HB2  PH6   3          1HB       TCP   3  -7.957  -0.491   3.078
   23    HB3  PH6   3          2HB       TCP   3  -7.301  -1.784   2.089
   24    HG2  PH6   3           HG       TCP   3  -9.111  -1.835   0.590
   25    HD2  PH6   3          1HD       TCP   3 -10.347   0.842   1.260
   26    HD3  PH6   3          2HD       TCP   3 -10.074   0.024  -0.282
   27    H1   PH6   3           H19      TCP   3 -10.026  -2.553   2.756
   28    H61  PH6   3           H20      TCP   3  -9.752  -0.459   4.155
   29    H62  PH6   3           H21      TCP   3 -10.949   0.385   3.197
   30    H21  PH6   3           H17      TCP   3 -11.514  -2.615   0.746
   31    H22  PH6   3           H18      TCP   3 -12.048  -0.966   1.032
   32    H51  PH6   3           H11      TCP   3 -11.954  -0.416   5.277
   33    H52  PH6   3           H12      TCP   3 -11.446  -2.078   4.948
   34    H41  PH6   3           H13      TCP   3 -13.870  -1.744   4.304
   35    H42  PH6   3           H14      TCP   3 -13.429  -0.413   3.234
   36    H31  PH6   3           H15      TCP   3 -13.753  -2.531   1.904
   37    H32  PH6   3           H16      TCP   3 -12.551  -3.368   2.888
   38    H    TRP   4           H        TRP   4  -5.307   1.408   0.142
   39    HA   TRP   4           HA       TRP   4  -4.686  -0.622  -1.968
   40    HB2  TRP   4          1HB       TRP   4  -3.361   2.015  -1.158
   41    HB3  TRP   4          2HB       TRP   4  -2.634   0.911  -2.317
   42    HD1  TRP   4           HD1      TRP   4  -5.029  -0.020  -4.158
   43    HE1  TRP   4           HE1      TRP   4  -6.113   1.621  -5.916
   44    HE3  TRP   4           HE3      TRP   4  -3.614   4.321  -1.855
   45    HZ2  TRP   4           HZ2      TRP   4  -6.189   4.444  -6.146
   46    HZ3  TRP   4           HZ3      TRP   4  -4.201   6.479  -2.921
   47    HH2  TRP   4           HH2      TRP   4  -5.488   6.541  -5.024
   48    H    PHE   5           H        PHE   5  -4.219  -2.471  -0.987
   49    HA   PHE   5           HA       PHE   5  -2.247  -2.982   1.040
   50    HB2  PHE   5          2HB       PHE   5  -2.849  -5.002  -1.194
   51    HB3  PHE   5          1HB       PHE   5  -2.348  -5.337   0.436
   52    HD1  PHE   5           HD1      PHE   5  -5.116  -5.338  -1.714
   53    HD2  PHE   5           HD2      PHE   5  -4.099  -4.305   2.336
   54    HE1  PHE   5           HE1      PHE   5  -7.471  -5.566  -1.061
   55    HE2  PHE   5           HE2      PHE   5  -6.468  -4.529   2.977
   56    HZ   PHE   5           HZ       PHE   5  -8.157  -5.167   1.283
   57    H    SER   6           H        SER   6  -1.801  -3.226  -2.453
   58    HA   SER   6           HA       SER   6   1.074  -3.671  -2.655
   59    HB2  SER   6          2HB       SER   6   0.704  -2.305  -4.921
   60    HB3  SER   6          1HB       SER   6   0.066  -3.923  -4.721
   61    HG   SER   6           HG       SER   6  -1.625  -2.797  -5.461
   62    H    LYS   7           H        LYS   7  -0.657  -0.620  -2.215
   63    HA   LYS   7           HA       LYS   7   1.684   1.186  -2.322
   64    HB2  LYS   7          2HB       LYS   7  -1.010   1.364  -0.841
   65    HB3  LYS   7          1HB       LYS   7   0.175   2.568  -0.519
   66    HG2  LYS   7          2HG       LYS   7  -0.838   1.947  -3.351
   67    HG3  LYS   7          1HG       LYS   7  -1.508   3.204  -2.328
   68    HD2  LYS   7          2HD       LYS   7   0.364   4.613  -2.414
   69    HD3  LYS   7          1HD       LYS   7   1.519   3.346  -2.631
   70    HE2  LYS   7          2HE       LYS   7   1.574   3.468  -4.883
   71    HE3  LYS   7          1HE       LYS   7  -0.145   3.194  -5.043
   72    HZ1  LYS   7          1HZ       LYS   7   0.413   5.462  -5.878
   73    HZ2  LYS   7          2HZ       LYS   7  -0.533   5.625  -4.545
   74    HZ3  LYS   7          3HZ       LYS   7   1.083   5.898  -4.441
   75    H    PHE   8           H        PHE   8   0.505  -0.787   0.304
   76    HA   PHE   8           HA       PHE   8   2.448   0.232   2.298
   77    HB2  PHE   8          2HB       PHE   8   0.220  -1.761   2.279
   78    HB3  PHE   8          1HB       PHE   8   1.614  -2.537   2.923
   79    HD1  PHE   8           HD1      PHE   8  -1.136  -1.170   4.103
   80    HD2  PHE   8           HD2      PHE   8   3.092  -0.474   4.450
   81    HE1  PHE   8           HE1      PHE   8  -1.478  -0.127   6.306
   82    HE2  PHE   8           HE2      PHE   8   2.747   0.577   6.633
   83    HZ   PHE   8           HZ       PHE   8   0.461   0.760   7.576
   84    H    LEU   9           H        LEU   9   2.339  -2.821   0.465
   85    HA   LEU   9           HA       LEU   9   5.067  -3.675   1.040
   86    HB2  LEU   9          2HB       LEU   9   2.882  -4.510  -0.806
   87    HB3  LEU   9          1HB       LEU   9   4.387  -4.519  -1.666
   88    HG   LEU   9           HG       LEU   9   5.447  -6.011   0.020
   89   HD11  LEU   9          1HD1      LEU   9   4.606  -6.081   2.136
   90   HD12  LEU   9          2HD1      LEU   9   3.059  -5.347   1.690
   91   HD13  LEU   9          3HD1      LEU   9   3.284  -7.098   1.550
   92   HD21  LEU   9          1HD2      LEU   9   2.865  -6.818  -1.434
   93   HD22  LEU   9          2HD2      LEU   9   4.562  -7.176  -1.830
   94   HD23  LEU   9          3HD2      LEU   9   3.769  -8.022  -0.494
   95    H    GLY  10           H        GLY  10   3.980  -1.506  -1.536
   96    HA2  GLY  10          1HA       GLY  10   6.560  -1.074  -2.900
   97    HA3  GLY  10          2HA       GLY  10   5.252   0.088  -2.850
   98    H    ARG  11           H        ARG  11   5.225   0.616  -0.093
   99    HA   ARG  11           HA       ARG  11   7.577   2.483   0.265
  100    HB2  ARG  11          2HB       ARG  11   5.124   1.730   1.984
  101    HB3  ARG  11          1HB       ARG  11   6.387   2.703   2.642
  102    HG2  ARG  11          2HG       ARG  11   5.122   3.594  -0.026
  103    HG3  ARG  11          1HG       ARG  11   4.226   3.776   1.474
  104    HD2  ARG  11          2HD       ARG  11   6.627   4.840   2.338
  105    HD3  ARG  11          1HD       ARG  11   6.876   5.111   0.613
  106    HE   ARG  11           HE       ARG  11   4.247   6.131   1.050
  107   HH11  ARG  11          1HH1      ARG  11   6.736   8.377   3.228
  108   HH12  ARG  11          2HH1      ARG  11   7.251   6.716   2.668
  109   HH21  ARG  11          1HH2      ARG  11   4.803   9.063   2.663
  110   HH22  ARG  11          2HH2      ARG  11   3.683   8.022   1.670
  111    H    ILE  12           H        ILE  12   6.427  -0.409   2.036
  112    HA   ILE  12           HA       ILE  12   8.801  -0.600   3.806
  113    HB   ILE  12           HB       ILE  12   6.883  -2.855   3.048
  114   HG12  ILE  12          2HG1      ILE  12   6.517  -0.872   5.378
  115   HG13  ILE  12          1HG1      ILE  12   5.536  -0.965   3.940
  116   HG21  ILE  12          1HG2      ILE  12   7.830  -3.151   5.809
  117   HG22  ILE  12          2HG2      ILE  12   8.180  -4.168   4.399
  118   HG23  ILE  12          3HG2      ILE  12   9.248  -2.829   4.828
  119   HD11  ILE  12          1HD1      ILE  12   5.536  -2.888   6.278
  120   HD12  ILE  12          2HD1      ILE  12   4.165  -2.233   5.367
  121   HD13  ILE  12          3HD1      ILE  12   5.133  -3.551   4.677
  122    H    LEU  13           H        LEU  13   8.139  -1.950   0.593
  123    HA   LEU  13           HA       LEU  13  10.343  -3.714   0.179
  124    HB2  LEU  13          2HB       LEU  13   8.683  -1.851  -1.567
  125    HB3  LEU  13          1HB       LEU  13  10.194  -2.261  -2.266
  126    HG   LEU  13           HG       LEU  13   8.246  -4.421  -1.282
  127   HD11  LEU  13          1HD1      LEU  13   7.916  -4.641  -3.931
  128   HD12  LEU  13          2HD1      LEU  13   7.031  -3.379  -3.060
  129   HD13  LEU  13          3HD1      LEU  13   8.491  -2.962  -3.985
  130   HD21  LEU  13          1HD2      LEU  13   9.697  -6.005  -2.267
  131   HD22  LEU  13          2HD2      LEU  13  10.433  -4.840  -3.399
  132   HD23  LEU  13          3HD2      LEU  13  10.903  -4.845  -1.696
  133    HN1  NH2  14          1HN       NH2  14  12.431  -0.236   0.157
  134    HN2  NH2  14          2HN       NH2  14  10.600  -0.169   0.110
  Start of MODEL    6
    1    H1   PHE   1          1H        PHE   1 -10.984   7.742   2.732
    2    H2   PHE   1          2H        PHE   1 -11.315   7.246   1.171
    3    H3   PHE   1          3H        PHE   1 -11.697   6.283   2.430
    4    HA   PHE   1           HA       PHE   1  -8.910   6.933   1.653
    5    HB2  PHE   1          2HB       PHE   1  -8.243   5.222   3.343
    6    HB3  PHE   1          1HB       PHE   1  -8.971   6.614   4.066
    7    HD1  PHE   1           HD1      PHE   1  -9.449   2.963   3.327
    8    HD2  PHE   1           HD2      PHE   1 -11.184   6.435   5.209
    9    HE1  PHE   1           HE1      PHE   1 -11.127   1.546   4.436
   10    HE2  PHE   1           HE2      PHE   1 -12.861   5.001   6.282
   11    HZ   PHE   1           HZ       PHE   1 -12.834   2.560   5.908
   12    H    VAL   2           H        VAL   2  -7.715   5.095   0.786
   13    HA   VAL   2           HA       VAL   2  -9.513   3.157  -0.696
   14    HB   VAL   2           HB       VAL   2  -8.381   4.859  -2.152
   15   HG11  VAL   2          1HG1      VAL   2  -6.049   4.741  -0.979
   16   HG12  VAL   2          2HG1      VAL   2  -5.846   3.164  -1.746
   17   HG13  VAL   2          3HG1      VAL   2  -6.021   4.621  -2.757
   18   HG21  VAL   2          1HG2      VAL   2  -7.774   1.899  -2.781
   19   HG22  VAL   2          2HG2      VAL   2  -9.321   2.733  -3.068
   20   HG23  VAL   2          3HG2      VAL   2  -7.875   3.224  -3.961
   21    HA   PH6   3           HA       TCP   3  -7.081  -0.021   1.657
   22    HB2  PH6   3          1HB       TCP   3  -8.917  -1.339   1.619
   23    HB3  PH6   3          2HB       TCP   3  -8.077  -2.256   0.394
   24    HG2  PH6   3           HG       TCP   3  -9.151  -1.227  -1.431
   25    HD2  PH6   3          1HD       TCP   3 -10.269   1.167   0.046
   26    HD3  PH6   3          2HD       TCP   3  -9.525   1.013  -1.550
   27    H1   PH6   3           H19      TCP   3 -10.895  -2.495  -0.256
   28    H61  PH6   3           H20      TCP   3 -10.968  -1.324   1.985
   29    H62  PH6   3           H21      TCP   3 -11.612   0.129   1.252
   30    H21  PH6   3           H17      TCP   3 -11.505  -1.328  -2.383
   31    H22  PH6   3           H18      TCP   3 -11.935   0.136  -1.512
   32    H51  PH6   3           H11      TCP   3 -13.410  -1.156   2.297
   33    H52  PH6   3           H12      TCP   3 -12.989  -2.604   1.374
   34    H41  PH6   3           H13      TCP   3 -14.937  -1.398   0.299
   35    H42  PH6   3           H14      TCP   3 -13.986   0.084   0.179
   36    H31  PH6   3           H15      TCP   3 -13.997  -1.131  -2.032
   37    H32  PH6   3           H16      TCP   3 -13.352  -2.586  -1.269
   38    H    TRP   4           H        TRP   4  -5.177   0.787   0.810
   39    HA   TRP   4           HA       TRP   4  -4.019  -0.253  -1.726
   40    HB2  TRP   4          1HB       TRP   4  -2.979   1.444   0.588
   41    HB3  TRP   4          2HB       TRP   4  -1.837   0.740  -0.507
   42    HD1  TRP   4           HD1      TRP   4  -3.514   1.224  -3.361
   43    HE1  TRP   4           HE1      TRP   4  -3.637   3.649  -4.391
   44    HE3  TRP   4           HE3      TRP   4  -2.571   3.737   0.984
   45    HZ2  TRP   4           HZ2      TRP   4  -3.300   6.239  -3.292
   46    HZ3  TRP   4           HZ3      TRP   4  -2.519   6.208   0.940
   47    HH2  TRP   4           HH2      TRP   4  -2.895   7.446  -1.161
   48    H    PHE   5           H        PHE   5  -3.803  -2.316  -1.849
   49    HA   PHE   5           HA       PHE   5  -2.610  -4.033   0.282
   50    HB2  PHE   5          2HB       PHE   5  -3.200  -4.973  -2.574
   51    HB3  PHE   5          1HB       PHE   5  -3.136  -5.910  -1.115
   52    HD1  PHE   5           HD1      PHE   5  -4.957  -4.872   0.810
   53    HD2  PHE   5           HD2      PHE   5  -5.352  -4.663  -3.470
   54    HE1  PHE   5           HE1      PHE   5  -7.393  -4.625   1.035
   55    HE2  PHE   5           HE2      PHE   5  -7.782  -4.402  -3.227
   56    HZ   PHE   5           HZ       PHE   5  -8.812  -4.393  -0.981
   57    H    SER   6           H        SER   6  -1.667  -3.444  -3.068
   58    HA   SER   6           HA       SER   6   1.182  -4.313  -2.601
   59    HB2  SER   6          2HB       SER   6  -0.403  -4.474  -4.880
   60    HB3  SER   6          1HB       SER   6   0.413  -2.953  -5.218
   61    HG   SER   6           HG       SER   6   1.951  -4.328  -5.829
   62    H    LYS   7           H        LYS   7  -0.466  -1.228  -3.185
   63    HA   LYS   7           HA       LYS   7   1.857   0.528  -3.356
   64    HB2  LYS   7          2HB       LYS   7  -0.983   0.856  -3.368
   65    HB3  LYS   7          1HB       LYS   7  -0.531   1.636  -1.902
   66    HG2  LYS   7          2HG       LYS   7   0.812   2.372  -4.569
   67    HG3  LYS   7          1HG       LYS   7  -0.739   2.997  -4.086
   68    HD2  LYS   7          2HD       LYS   7   0.344   4.700  -3.032
   69    HD3  LYS   7          1HD       LYS   7   0.551   3.588  -1.735
   70    HE2  LYS   7          2HE       LYS   7   2.801   4.063  -1.905
   71    HE3  LYS   7          1HE       LYS   7   2.806   2.802  -3.116
   72    HZ1  LYS   7          1HZ       LYS   7   3.755   4.898  -4.116
   73    HZ2  LYS   7          2HZ       LYS   7   2.325   4.591  -4.860
   74    HZ3  LYS   7          3HZ       LYS   7   2.401   5.755  -3.725
   75    H    PHE   8           H        PHE   8   0.316  -0.764  -0.499
   76    HA   PHE   8           HA       PHE   8   1.924   0.712   1.547
   77    HB2  PHE   8          2HB       PHE   8  -0.175  -1.507   1.556
   78    HB3  PHE   8          1HB       PHE   8   1.068  -1.774   2.709
   79    HD1  PHE   8           HD1      PHE   8  -1.764   0.329   1.943
   80    HD2  PHE   8           HD2      PHE   8   1.670  -0.026   4.455
   81    HE1  PHE   8           HE1      PHE   8  -2.744   1.978   3.491
   82    HE2  PHE   8           HE2      PHE   8   0.699   1.583   6.032
   83    HZ   PHE   8           HZ       PHE   8  -1.514   2.599   5.558
   84    H    LEU   9           H        LEU   9   2.060  -2.687   0.397
   85    HA   LEU   9           HA       LEU   9   4.664  -3.309   1.502
   86    HB2  LEU   9          2HB       LEU   9   2.760  -4.584  -0.413
   87    HB3  LEU   9          1HB       LEU   9   4.366  -4.699  -1.043
   88    HG   LEU   9           HG       LEU   9   5.191  -5.705   1.133
   89   HD11  LEU   9          1HD1      LEU   9   3.629  -5.049   2.852
   90   HD12  LEU   9          2HD1      LEU   9   2.201  -5.425   1.863
   91   HD13  LEU   9          3HD1      LEU   9   3.171  -6.736   2.566
   92   HD21  LEU   9          1HD2      LEU   9   2.870  -7.372  -0.008
   93   HD22  LEU   9          2HD2      LEU   9   4.295  -6.992  -1.001
   94   HD23  LEU   9          3HD2      LEU   9   4.495  -7.889   0.509
   95    H    GLY  10           H        GLY  10   3.984  -1.819  -1.642
   96    HA2  GLY  10          1HA       GLY  10   6.736  -1.608  -2.651
   97    HA3  GLY  10          2HA       GLY  10   5.442  -0.509  -3.077
   98    H    ARG  11           H        ARG  11   5.010   0.610  -0.521
   99    HA   ARG  11           HA       ARG  11   7.304   2.561  -0.264
  100    HB2  ARG  11          2HB       ARG  11   4.490   2.314   0.947
  101    HB3  ARG  11          1HB       ARG  11   5.660   3.134   1.921
  102    HG2  ARG  11          2HG       ARG  11   5.134   3.948  -0.993
  103    HG3  ARG  11          1HG       ARG  11   4.299   4.634   0.399
  104    HD2  ARG  11          2HD       ARG  11   7.162   4.747   1.053
  105    HD3  ARG  11          1HD       ARG  11   7.074   5.150  -0.655
  106    HE   ARG  11           HE       ARG  11   5.042   6.681   0.926
  107   HH11  ARG  11          1HH1      ARG  11   8.668   8.329   0.875
  108   HH12  ARG  11          2HH1      ARG  11   8.470   6.570   0.432
  109   HH21  ARG  11          1HH2      ARG  11   6.928   9.441   1.390
  110   HH22  ARG  11          2HH2      ARG  11   5.281   8.666   1.394
  111    H    ILE  12           H        ILE  12   5.884   0.126   1.919
  112    HA   ILE  12           HA       ILE  12   7.980   0.410   3.999
  113    HB   ILE  12           HB       ILE  12   6.185  -2.015   3.496
  114   HG12  ILE  12          2HG1      ILE  12   5.529   0.400   5.289
  115   HG13  ILE  12          1HG1      ILE  12   4.744   0.030   3.780
  116   HG21  ILE  12          1HG2      ILE  12   7.280  -2.955   5.278
  117   HG22  ILE  12          2HG2      ILE  12   8.276  -1.520   5.543
  118   HG23  ILE  12          3HG2      ILE  12   6.729  -1.662   6.359
  119   HD11  ILE  12          1HD1      ILE  12   4.541  -2.383   5.471
  120   HD12  ILE  12          2HD1      ILE  12   3.955  -0.955   6.345
  121   HD13  ILE  12          3HD1      ILE  12   3.258  -1.411   4.764
  122    H    LEU  13           H        LEU  13   7.786  -1.652   1.115
  123    HA   LEU  13           HA       LEU  13  10.022  -3.387   1.415
  124    HB2  LEU  13          2HB       LEU  13   8.639  -1.994  -0.914
  125    HB3  LEU  13          1HB       LEU  13  10.236  -2.505  -1.285
  126    HG   LEU  13           HG       LEU  13   8.141  -4.437  -0.157
  127   HD11  LEU  13          1HD1      LEU  13   7.169  -4.179  -2.241
  128   HD12  LEU  13          2HD1      LEU  13   8.585  -3.390  -2.961
  129   HD13  LEU  13          3HD1      LEU  13   8.512  -5.153  -2.858
  130   HD21  LEU  13          1HD2      LEU  13  10.537  -5.433  -1.746
  131   HD22  LEU  13          2HD2      LEU  13  10.905  -4.807  -0.140
  132   HD23  LEU  13          3HD2      LEU  13   9.732  -6.116  -0.312
  133    HN1  NH2  14          1HN       NH2  14  12.112   0.054   0.917
  134    HN2  NH2  14          2HN       NH2  14  10.305   0.059   0.597
  Start of MODEL    7
    1    H1   PHE   1          1H        PHE   1 -11.151   7.632   2.701
    2    H2   PHE   1          2H        PHE   1 -11.364   7.127   1.124
    3    H3   PHE   1          3H        PHE   1 -11.864   6.180   2.355
    4    HA   PHE   1           HA       PHE   1  -9.011   6.787   1.812
    5    HB2  PHE   1          2HB       PHE   1  -8.487   5.127   3.554
    6    HB3  PHE   1          1HB       PHE   1  -9.357   6.467   4.220
    7    HD1  PHE   1           HD1      PHE   1  -9.638   2.834   3.253
    8    HD2  PHE   1           HD2      PHE   1 -11.586   6.122   5.253
    9    HE1  PHE   1           HE1      PHE   1 -11.350   1.306   4.129
   10    HE2  PHE   1           HE2      PHE   1 -13.280   4.570   6.121
   11    HZ   PHE   1           HZ       PHE   1 -13.170   2.167   5.562
   12    H    VAL   2           H        VAL   2  -7.841   5.148   0.716
   13    HA   VAL   2           HA       VAL   2  -9.569   3.076  -0.671
   14    HB   VAL   2           HB       VAL   2  -8.563   4.816  -2.165
   15   HG11  VAL   2          1HG1      VAL   2  -5.941   3.255  -1.797
   16   HG12  VAL   2          2HG1      VAL   2  -6.210   4.692  -2.818
   17   HG13  VAL   2          3HG1      VAL   2  -6.206   4.828  -1.039
   18   HG21  VAL   2          1HG2      VAL   2  -7.999   3.189  -3.971
   19   HG22  VAL   2          2HG2      VAL   2  -7.816   1.884  -2.779
   20   HG23  VAL   2          3HG2      VAL   2  -9.405   2.637  -3.050
   21    HA   PH6   3           HA       TCP   3  -6.936   0.041   1.653
   22    HB2  PH6   3          1HB       TCP   3  -8.706  -1.368   1.664
   23    HB3  PH6   3          2HB       TCP   3  -7.841  -2.248   0.430
   24    HG2  PH6   3           HG       TCP   3  -9.003  -1.293  -1.382
   25    HD2  PH6   3          1HD       TCP   3 -10.212   1.054   0.100
   26    HD3  PH6   3          2HD       TCP   3  -9.495   0.924  -1.511
   27    H1   PH6   3           H19      TCP   3 -10.657  -2.638  -0.165
   28    H61  PH6   3           H20      TCP   3 -10.748  -1.454   2.068
   29    H62  PH6   3           H21      TCP   3 -11.478  -0.041   1.336
   30    H21  PH6   3           H17      TCP   3 -11.366  -1.525  -2.289
   31    H22  PH6   3           H18      TCP   3 -11.853  -0.076  -1.422
   32    H51  PH6   3           H11      TCP   3 -13.189  -1.406   2.425
   33    H52  PH6   3           H12      TCP   3 -12.712  -2.839   1.505
   34    H41  PH6   3           H13      TCP   3 -14.738  -1.743   0.459
   35    H42  PH6   3           H14      TCP   3 -13.866  -0.216   0.309
   36    H31  PH6   3           H15      TCP   3 -13.857  -1.449  -1.892
   37    H32  PH6   3           H16      TCP   3 -13.125  -2.863  -1.130
   38    H    TRP   4           H        TRP   4  -5.075   0.893   0.785
   39    HA   TRP   4           HA       TRP   4  -3.933  -0.082  -1.802
   40    HB2  TRP   4          1HB       TRP   4  -2.912   1.634   0.513
   41    HB3  TRP   4          2HB       TRP   4  -1.794   1.002  -0.650
   42    HD1  TRP   4           HD1      TRP   4  -3.496   1.444  -3.428
   43    HE1  TRP   4           HE1      TRP   4  -3.845   3.851  -4.425
   44    HE3  TRP   4           HE3      TRP   4  -2.623   3.986   0.909
   45    HZ2  TRP   4           HZ2      TRP   4  -3.607   6.468  -3.319
   46    HZ3  TRP   4           HZ3      TRP   4  -2.648   6.452   0.878
   47    HH2  TRP   4           HH2      TRP   4  -3.153   7.685  -1.198
   48    H    PHE   5           H        PHE   5  -3.876  -2.227  -1.755
   49    HA   PHE   5           HA       PHE   5  -2.544  -3.832   0.306
   50    HB2  PHE   5          2HB       PHE   5  -3.145  -4.853  -2.527
   51    HB3  PHE   5          1HB       PHE   5  -3.029  -5.765  -1.058
   52    HD1  PHE   5           HD1      PHE   5  -4.854  -4.852   0.871
   53    HD2  PHE   5           HD2      PHE   5  -5.296  -4.524  -3.397
   54    HE1  PHE   5           HE1      PHE   5  -7.297  -4.710   1.123
   55    HE2  PHE   5           HE2      PHE   5  -7.731  -4.364  -3.128
   56    HZ   PHE   5           HZ       PHE   5  -8.742  -4.469  -0.874
   57    H    SER   6           H        SER   6  -1.617  -3.661  -3.103
   58    HA   SER   6           HA       SER   6   1.250  -4.332  -2.653
   59    HB2  SER   6          2HB       SER   6  -0.037  -4.849  -4.792
   60    HB3  SER   6          1HB       SER   6  -0.116  -3.122  -5.155
   61    HG   SER   6           HG       SER   6   2.280  -3.177  -4.976
   62    H    LYS   7           H        LYS   7  -0.444  -1.264  -3.232
   63    HA   LYS   7           HA       LYS   7   1.876   0.524  -3.359
   64    HB2  LYS   7          2HB       LYS   7  -1.061   0.801  -3.161
   65    HB3  LYS   7          1HB       LYS   7  -0.377   1.818  -1.946
   66    HG2  LYS   7          2HG       LYS   7   0.745   1.958  -4.785
   67    HG3  LYS   7          1HG       LYS   7  -0.784   2.693  -4.425
   68    HD2  LYS   7          2HD       LYS   7   1.572   3.326  -2.520
   69    HD3  LYS   7          1HD       LYS   7   1.610   3.998  -4.143
   70    HE2  LYS   7          2HE       LYS   7  -0.949   4.742  -3.583
   71    HE3  LYS   7          1HE       LYS   7  -0.485   4.469  -1.907
   72    HZ1  LYS   7          1HZ       LYS   7  -0.092   6.822  -2.653
   73    HZ2  LYS   7          2HZ       LYS   7   1.354   6.147  -2.251
   74    HZ3  LYS   7          3HZ       LYS   7   0.920   6.324  -3.841
   75    H    PHE   8           H        PHE   8   0.332  -0.829  -0.533
   76    HA   PHE   8           HA       PHE   8   1.916   0.688   1.518
   77    HB2  PHE   8          2HB       PHE   8  -0.103  -1.619   1.528
   78    HB3  PHE   8          1HB       PHE   8   1.084  -1.688   2.759
   79    HD1  PHE   8           HD1      PHE   8  -0.779   1.258   1.263
   80    HD2  PHE   8           HD2      PHE   8   0.293  -0.910   4.796
   81    HE1  PHE   8           HE1      PHE   8  -2.047   2.871   2.637
   82    HE2  PHE   8           HE2      PHE   8  -0.926   0.728   6.167
   83    HZ   PHE   8           HZ       PHE   8  -2.111   2.618   5.084
   84    H    LEU   9           H        LEU   9   2.045  -2.711   0.401
   85    HA   LEU   9           HA       LEU   9   4.637  -3.330   1.528
   86    HB2  LEU   9          2HB       LEU   9   2.742  -4.574  -0.410
   87    HB3  LEU   9          1HB       LEU   9   4.309  -4.714  -1.053
   88    HG   LEU   9           HG       LEU   9   4.457  -5.449   1.837
   89   HD11  LEU   9          1HD1      LEU   9   3.059  -7.678   1.331
   90   HD12  LEU   9          2HD1      LEU   9   2.252  -6.217   1.934
   91   HD13  LEU   9          3HD1      LEU   9   2.156  -6.642   0.212
   92   HD21  LEU   9          1HD2      LEU   9   5.618  -7.369   1.008
   93   HD22  LEU   9          2HD2      LEU   9   4.911  -7.232  -0.621
   94   HD23  LEU   9          3HD2      LEU   9   6.103  -6.037  -0.053
   95    H    GLY  10           H        GLY  10   3.994  -1.839  -1.620
   96    HA2  GLY  10          1HA       GLY  10   6.754  -1.631  -2.622
   97    HA3  GLY  10          2HA       GLY  10   5.461  -0.528  -3.037
   98    H    ARG  11           H        ARG  11   5.006   0.585  -0.498
   99    HA   ARG  11           HA       ARG  11   7.264   2.585  -0.243
  100    HB2  ARG  11          2HB       ARG  11   4.619   2.186   1.310
  101    HB3  ARG  11          1HB       ARG  11   5.770   3.411   1.738
  102    HG2  ARG  11          2HG       ARG  11   4.900   3.364  -1.194
  103    HG3  ARG  11          1HG       ARG  11   3.673   3.826  -0.023
  104    HD2  ARG  11          2HD       ARG  11   4.979   5.689   0.847
  105    HD3  ARG  11          1HD       ARG  11   6.484   5.097   0.113
  106    HE   ARG  11           HE       ARG  11   4.711   5.544  -2.108
  107   HH11  ARG  11          1HH1      ARG  11   6.721   8.771  -0.884
  108   HH12  ARG  11          2HH1      ARG  11   6.529   7.331   0.219
  109   HH21  ARG  11          1HH2      ARG  11   5.813   8.682  -2.800
  110   HH22  ARG  11          2HH2      ARG  11   4.913   7.201  -3.358
  111    H    ILE  12           H        ILE  12   5.857   0.131   1.938
  112    HA   ILE  12           HA       ILE  12   7.919   0.425   4.052
  113    HB   ILE  12           HB       ILE  12   6.131  -2.000   3.526
  114   HG12  ILE  12          2HG1      ILE  12   5.412   0.441   5.266
  115   HG13  ILE  12          1HG1      ILE  12   4.674   0.010   3.748
  116   HG21  ILE  12          1HG2      ILE  12   7.188  -2.939   5.324
  117   HG22  ILE  12          2HG2      ILE  12   8.176  -1.504   5.607
  118   HG23  ILE  12          3HG2      ILE  12   6.615  -1.646   6.396
  119   HD11  ILE  12          1HD1      ILE  12   4.130  -2.357   4.986
  120   HD12  ILE  12          2HD1      ILE  12   4.242  -1.315   6.422
  121   HD13  ILE  12          3HD1      ILE  12   3.068  -0.935   5.139
  122    H    LEU  13           H        LEU  13   7.774  -1.607   1.151
  123    HA   LEU  13           HA       LEU  13   9.963  -3.390   1.523
  124    HB2  LEU  13          2HB       LEU  13   8.615  -2.040  -0.847
  125    HB3  LEU  13          1HB       LEU  13  10.207  -2.556  -1.200
  126    HG   LEU  13           HG       LEU  13   8.129  -4.506  -0.055
  127   HD11  LEU  13          1HD1      LEU  13   8.214  -5.290  -2.621
  128   HD12  LEU  13          2HD1      LEU  13   7.198  -3.911  -2.178
  129   HD13  LEU  13          3HD1      LEU  13   8.778  -3.638  -2.945
  130   HD21  LEU  13          1HD2      LEU  13  10.822  -4.981  -1.523
  131   HD22  LEU  13          2HD2      LEU  13  10.599  -5.128   0.232
  132   HD23  LEU  13          3HD2      LEU  13   9.740  -6.233  -0.853
  133    HN1  NH2  14          1HN       NH2  14  12.199  -0.068   0.585
  134    HN2  NH2  14          2HN       NH2  14  10.473  -0.184  -0.066
  Start of MODEL    8
    1    H1   PHE   1          1H        PHE   1 -11.245   7.461   2.916
    2    H2   PHE   1          2H        PHE   1 -11.803   6.857   1.464
    3    H3   PHE   1          3H        PHE   1 -11.710   5.879   2.759
    4    HA   PHE   1           HA       PHE   1  -9.351   7.043   1.387
    5    HB2  PHE   1          2HB       PHE   1  -7.954   5.851   2.910
    6    HB3  PHE   1          1HB       PHE   1  -9.055   6.730   3.910
    7    HD1  PHE   1           HD1      PHE   1  -7.623   3.478   3.250
    8    HD2  PHE   1           HD2      PHE   1 -11.211   5.320   4.788
    9    HE1  PHE   1           HE1      PHE   1  -8.272   1.368   4.326
   10    HE2  PHE   1           HE2      PHE   1 -11.860   3.187   5.793
   11    HZ   PHE   1           HZ       PHE   1 -10.390   1.215   5.590
   12    H    VAL   2           H        VAL   2  -7.876   5.114   0.679
   13    HA   VAL   2           HA       VAL   2  -9.607   3.064  -0.722
   14    HB   VAL   2           HB       VAL   2  -8.590   4.778  -2.256
   15   HG11  VAL   2          1HG1      VAL   2  -5.964   3.214  -1.911
   16   HG12  VAL   2          2HG1      VAL   2  -6.243   4.680  -2.888
   17   HG13  VAL   2          3HG1      VAL   2  -6.222   4.765  -1.109
   18   HG21  VAL   2          1HG2      VAL   2  -9.459   2.606  -3.098
   19   HG22  VAL   2          2HG2      VAL   2  -8.035   3.103  -4.026
   20   HG23  VAL   2          3HG2      VAL   2  -7.886   1.824  -2.801
   21    HA   PH6   3           HA       TCP   3  -6.959   0.082   1.656
   22    HB2  PH6   3          1HB       TCP   3  -8.713  -1.345   1.698
   23    HB3  PH6   3          2HB       TCP   3  -7.851  -2.243   0.471
   24    HG2  PH6   3           HG       TCP   3  -9.046  -1.315  -1.342
   25    HD2  PH6   3          1HD       TCP   3 -10.239   1.058   0.110
   26    HD3  PH6   3          2HD       TCP   3  -9.540   0.900  -1.504
   27    H1   PH6   3           H19      TCP   3 -10.690  -2.636  -0.081
   28    H61  PH6   3           H20      TCP   3 -10.755  -1.407   2.130
   29    H62  PH6   3           H21      TCP   3 -11.492  -0.009   1.379
   30    H21  PH6   3           H17      TCP   3 -11.419  -1.557  -2.218
   31    H22  PH6   3           H18      TCP   3 -11.895  -0.093  -1.371
   32    H51  PH6   3           H11      TCP   3 -13.193  -1.350   2.511
   33    H52  PH6   3           H12      TCP   3 -12.728  -2.801   1.614
   34    H41  PH6   3           H13      TCP   3 -14.764  -1.721   0.568
   35    H42  PH6   3           H14      TCP   3 -13.892  -0.199   0.380
   36    H31  PH6   3           H15      TCP   3 -13.906  -1.472  -1.797
   37    H32  PH6   3           H16      TCP   3 -13.168  -2.873  -1.017
   38    H    TRP   4           H        TRP   4  -5.081   0.883   0.804
   39    HA   TRP   4           HA       TRP   4  -3.943  -0.140  -1.771
   40    HB2  TRP   4          1HB       TRP   4  -2.913   1.631   0.503
   41    HB3  TRP   4          2HB       TRP   4  -1.796   0.953  -0.621
   42    HD1  TRP   4           HD1      TRP   4  -3.543   1.311  -3.442
   43    HE1  TRP   4           HE1      TRP   4  -3.863   3.694  -4.512
   44    HE3  TRP   4           HE3      TRP   4  -2.626   3.979   0.811
   45    HZ2  TRP   4           HZ2      TRP   4  -3.592   6.332  -3.500
   46    HZ3  TRP   4           HZ3      TRP   4  -2.693   6.448   0.705
   47    HH2  TRP   4           HH2      TRP   4  -3.187   7.611  -1.414
   48    H    PHE   5           H        PHE   5  -3.872  -2.263  -1.715
   49    HA   PHE   5           HA       PHE   5  -2.533  -3.853   0.377
   50    HB2  PHE   5          2HB       PHE   5  -3.158  -4.915  -2.439
   51    HB3  PHE   5          1HB       PHE   5  -3.018  -5.803  -0.959
   52    HD1  PHE   5           HD1      PHE   5  -4.859  -5.309   0.906
   53    HD2  PHE   5           HD2      PHE   5  -5.281  -4.142  -3.212
   54    HE1  PHE   5           HE1      PHE   5  -7.302  -5.147   1.191
   55    HE2  PHE   5           HE2      PHE   5  -7.713  -3.973  -2.913
   56    HZ   PHE   5           HZ       PHE   5  -8.734  -4.495  -0.722
   57    H    SER   6           H        SER   6  -1.659  -3.525  -3.047
   58    HA   SER   6           HA       SER   6   1.195  -4.304  -2.662
   59    HB2  SER   6          2HB       SER   6   1.417  -4.103  -5.008
   60    HB3  SER   6          1HB       SER   6  -0.213  -4.727  -4.795
   61    HG   SER   6           HG       SER   6   0.174  -2.846  -6.286
   62    H    LYS   7           H        LYS   7  -0.437  -1.218  -3.231
   63    HA   LYS   7           HA       LYS   7   1.866   0.541  -3.296
   64    HB2  LYS   7          2HB       LYS   7  -1.053   0.854  -3.028
   65    HB3  LYS   7          1HB       LYS   7  -0.331   1.860  -1.810
   66    HG2  LYS   7          2HG       LYS   7   0.419   1.975  -4.766
   67    HG3  LYS   7          1HG       LYS   7  -0.782   2.996  -3.976
   68    HD2  LYS   7          2HD       LYS   7   0.829   4.133  -2.554
   69    HD3  LYS   7          1HD       LYS   7   2.055   2.918  -2.791
   70    HE2  LYS   7          2HE       LYS   7   2.727   4.876  -4.073
   71    HE3  LYS   7          1HE       LYS   7   2.432   3.514  -5.151
   72    HZ1  LYS   7          1HZ       LYS   7   1.259   5.568  -6.017
   73    HZ2  LYS   7          2HZ       LYS   7   0.144   4.440  -5.596
   74    HZ3  LYS   7          3HZ       LYS   7   0.395   5.714  -4.614
   75    H    PHE   8           H        PHE   8   0.337  -0.782  -0.466
   76    HA   PHE   8           HA       PHE   8   1.959   0.672   1.592
   77    HB2  PHE   8          2HB       PHE   8  -0.121  -1.576   1.555
   78    HB3  PHE   8          1HB       PHE   8   1.087  -1.761   2.749
   79    HD1  PHE   8           HD1      PHE   8  -0.719   1.335   1.442
   80    HD2  PHE   8           HD2      PHE   8   0.400  -1.051   4.832
   81    HE1  PHE   8           HE1      PHE   8  -1.783   2.970   2.943
   82    HE2  PHE   8           HE2      PHE   8  -0.668   0.574   6.327
   83    HZ   PHE   8           HZ       PHE   8  -1.764   2.592   5.393
   84    H    LEU   9           H        LEU   9   2.058  -2.703   0.399
   85    HA   LEU   9           HA       LEU   9   4.654  -3.357   1.506
   86    HB2  LEU   9          2HB       LEU   9   2.748  -4.612  -0.425
   87    HB3  LEU   9          1HB       LEU   9   4.355  -4.705  -1.062
   88    HG   LEU   9           HG       LEU   9   5.150  -5.637   1.222
   89   HD11  LEU   9          1HD1      LEU   9   3.040  -4.917   2.526
   90   HD12  LEU   9          2HD1      LEU   9   2.105  -6.116   1.612
   91   HD13  LEU   9          3HD1      LEU   9   3.414  -6.642   2.701
   92   HD21  LEU   9          1HD2      LEU   9   4.871  -7.803   0.414
   93   HD22  LEU   9          2HD2      LEU   9   3.157  -7.595  -0.016
   94   HD23  LEU   9          3HD2      LEU   9   4.431  -6.940  -1.061
   95    H    GLY  10           H        GLY  10   3.990  -1.816  -1.615
   96    HA2  GLY  10          1HA       GLY  10   6.738  -1.604  -2.636
   97    HA3  GLY  10          2HA       GLY  10   5.446  -0.494  -3.031
   98    H    ARG  11           H        ARG  11   5.017   0.623  -0.497
   99    HA   ARG  11           HA       ARG  11   7.305   2.583  -0.218
  100    HB2  ARG  11          2HB       ARG  11   4.611   2.198   1.244
  101    HB3  ARG  11          1HB       ARG  11   5.793   3.316   1.846
  102    HG2  ARG  11          2HG       ARG  11   5.145   3.605  -1.113
  103    HG3  ARG  11          1HG       ARG  11   3.836   3.989  -0.031
  104    HD2  ARG  11          2HD       ARG  11   6.691   5.138   0.384
  105    HD3  ARG  11          1HD       ARG  11   5.577   5.903  -0.757
  106    HE   ARG  11           HE       ARG  11   4.005   5.679   1.629
  107   HH11  ARG  11          1HH1      ARG  11   6.893   8.335   2.319
  108   HH12  ARG  11          2HH1      ARG  11   7.116   7.061   1.029
  109   HH21  ARG  11          1HH2      ARG  11   5.061   8.365   3.396
  110   HH22  ARG  11          2HH2      ARG  11   3.750   7.147   3.060
  111    H    ILE  12           H        ILE  12   5.903   0.099   1.935
  112    HA   ILE  12           HA       ILE  12   7.985   0.370   4.034
  113    HB   ILE  12           HB       ILE  12   6.183  -2.044   3.507
  114   HG12  ILE  12          2HG1      ILE  12   5.502   0.379   5.286
  115   HG13  ILE  12          1HG1      ILE  12   4.743  -0.018   3.772
  116   HG21  ILE  12          1HG2      ILE  12   6.696  -1.721   6.373
  117   HG22  ILE  12          2HG2      ILE  12   7.262  -3.002   5.283
  118   HG23  ILE  12          3HG2      ILE  12   8.253  -1.569   5.573
  119   HD11  ILE  12          1HD1      ILE  12   4.178  -1.198   6.431
  120   HD12  ILE  12          2HD1      ILE  12   3.146  -1.134   4.979
  121   HD13  ILE  12          3HD1      ILE  12   4.338  -2.438   5.171
  122    H    LEU  13           H        LEU  13   7.808  -1.643   1.127
  123    HA   LEU  13           HA       LEU  13  10.002  -3.445   1.433
  124    HB2  LEU  13          2HB       LEU  13   8.600  -2.034  -0.866
  125    HB3  LEU  13          1HB       LEU  13  10.180  -2.521  -1.270
  126    HG   LEU  13           HG       LEU  13   8.181  -4.554  -0.124
  127   HD11  LEU  13          1HD1      LEU  13   8.252  -5.150  -2.816
  128   HD12  LEU  13          2HD1      LEU  13   7.050  -4.080  -2.091
  129   HD13  LEU  13          3HD1      LEU  13   8.454  -3.391  -2.929
  130   HD21  LEU  13          1HD2      LEU  13  10.992  -4.695  -1.388
  131   HD22  LEU  13          2HD2      LEU  13  10.378  -5.471   0.086
  132   HD23  LEU  13          3HD2      LEU  13   9.893  -6.085  -1.503
  133    HN1  NH2  14          1HN       NH2  14  12.214  -0.088   0.543
  134    HN2  NH2  14          2HN       NH2  14  10.475  -0.188  -0.075
  Start of MODEL    9
    1    H1   PHE   1          1H        PHE   1 -11.866   7.065   3.049
    2    H2   PHE   1          2H        PHE   1 -12.351   6.418   1.590
    3    H3   PHE   1          3H        PHE   1 -12.108   5.438   2.871
    4    HA   PHE   1           HA       PHE   1  -9.941   6.950   1.515
    5    HB2  PHE   1          2HB       PHE   1  -8.381   5.737   2.969
    6    HB3  PHE   1          1HB       PHE   1  -9.467   6.676   3.933
    7    HD1  PHE   1           HD1      PHE   1  -8.581   3.173   2.870
    8    HD2  PHE   1           HD2      PHE   1 -11.025   5.546   5.513
    9    HE1  PHE   1           HE1      PHE   1  -9.245   1.151   4.091
   10    HE2  PHE   1           HE2      PHE   1 -11.664   3.508   6.726
   11    HZ   PHE   1           HZ       PHE   1 -10.781   1.311   6.022
   12    H    VAL   2           H        VAL   2  -8.319   5.464   0.488
   13    HA   VAL   2           HA       VAL   2  -9.752   3.217  -0.929
   14    HB   VAL   2           HB       VAL   2  -8.804   5.061  -2.336
   15   HG11  VAL   2          1HG1      VAL   2  -6.064   3.712  -1.959
   16   HG12  VAL   2          2HG1      VAL   2  -6.434   5.239  -2.813
   17   HG13  VAL   2          3HG1      VAL   2  -6.508   5.146  -1.036
   18   HG21  VAL   2          1HG2      VAL   2  -9.445   2.869  -3.310
   19   HG22  VAL   2          2HG2      VAL   2  -8.000   3.491  -4.125
   20   HG23  VAL   2          3HG2      VAL   2  -7.848   2.185  -2.925
   21    HA   PH6   3           HA       TCP   3  -7.015   0.371   1.508
   22    HB2  PH6   3          1HB       TCP   3  -8.713  -1.175   1.356
   23    HB3  PH6   3          2HB       TCP   3  -7.647  -1.969   0.192
   24    HG2  PH6   3           HG       TCP   3  -8.763  -0.997  -1.706
   25    HD2  PH6   3          1HD       TCP   3 -10.282   1.053  -0.033
   26    HD3  PH6   3          2HD       TCP   3  -9.583   1.154  -1.675
   27    H1   PH6   3           H19      TCP   3 -12.152  -3.576   0.566
   28    H61  PH6   3           H20      TCP   3  -9.702  -3.268   0.226
   29    H62  PH6   3           H21      TCP   3  -9.937  -3.250  -1.548
   30    H21  PH6   3           H17      TCP   3 -12.251  -3.747  -2.532
   31    H22  PH6   3           H18      TCP   3 -11.475  -4.866  -0.437
   32    H51  PH6   3           H11      TCP   3 -11.063  -1.162   0.361
   33    H52  PH6   3           H12      TCP   3 -11.800  -0.020  -1.790
   34    H41  PH6   3           H13      TCP   3 -11.129  -1.341  -2.740
   35    H42  PH6   3           H14      TCP   3 -13.613  -1.626  -2.439
   36    H31  PH6   3           H15      TCP   3 -13.433  -1.559  -0.683
   37    H32  PH6   3           H16      TCP   3 -13.625  -3.959  -1.446
   38    H    TRP   4           H        TRP   4  -4.942   0.462   1.204
   39    HA   TRP   4           HA       TRP   4  -3.643   0.112  -1.557
   40    HB2  TRP   4          1HB       TRP   4  -2.678   1.343   1.065
   41    HB3  TRP   4          2HB       TRP   4  -1.611   1.040  -0.279
   42    HD1  TRP   4           HD1      TRP   4  -2.872   2.190  -2.803
   43    HE1  TRP   4           HE1      TRP   4  -3.431   4.773  -3.159
   44    HE3  TRP   4           HE3      TRP   4  -3.501   3.315   2.105
   45    HZ2  TRP   4           HZ2      TRP   4  -4.046   6.862  -1.377
   46    HZ3  TRP   4           HZ3      TRP   4  -4.100   5.621   2.743
   47    HH2  TRP   4           HH2      TRP   4  -4.399   7.370   1.027
   48    H    PHE   5           H        PHE   5  -3.821  -2.114  -1.617
   49    HA   PHE   5           HA       PHE   5  -2.557  -3.894   0.341
   50    HB2  PHE   5          2HB       PHE   5  -3.129  -4.736  -2.564
   51    HB3  PHE   5          1HB       PHE   5  -3.063  -5.724  -1.144
   52    HD1  PHE   5           HD1      PHE   5  -4.865  -5.119   0.764
   53    HD2  PHE   5           HD2      PHE   5  -5.216  -3.936  -3.363
   54    HE1  PHE   5           HE1      PHE   5  -7.318  -5.079   0.968
   55    HE2  PHE   5           HE2      PHE   5  -7.662  -3.905  -3.136
   56    HZ   PHE   5           HZ       PHE   5  -8.682  -4.780  -1.040
   57    H    SER   6           H        SER   6  -1.623  -3.556  -3.024
   58    HA   SER   6           HA       SER   6   1.222  -4.321  -2.558
   59    HB2  SER   6          2HB       SER   6  -0.446  -4.457  -4.821
   60    HB3  SER   6          1HB       SER   6   0.493  -3.016  -5.200
   61    HG   SER   6           HG       SER   6   1.532  -4.985  -5.842
   62    H    LYS   7           H        LYS   7  -0.422  -1.256  -3.099
   63    HA   LYS   7           HA       LYS   7   1.908   0.553  -3.283
   64    HB2  LYS   7          2HB       LYS   7  -1.051   0.858  -2.548
   65    HB3  LYS   7          1HB       LYS   7  -0.013   2.084  -1.924
   66    HG2  LYS   7          2HG       LYS   7  -0.362   3.181  -3.838
   67    HG3  LYS   7          1HG       LYS   7   0.968   2.220  -4.442
   68    HD2  LYS   7          2HD       LYS   7  -1.018   0.453  -5.102
   69    HD3  LYS   7          1HD       LYS   7  -2.065   1.842  -4.833
   70    HE2  LYS   7          2HE       LYS   7  -0.275   3.109  -6.491
   71    HE3  LYS   7          1HE       LYS   7   0.185   1.463  -6.925
   72    HZ1  LYS   7          1HZ       LYS   7  -1.687   2.288  -8.384
   73    HZ2  LYS   7          2HZ       LYS   7  -2.256   1.034  -7.490
   74    HZ3  LYS   7          3HZ       LYS   7  -2.644   2.572  -7.085
   75    H    PHE   8           H        PHE   8   0.380  -0.836  -0.445
   76    HA   PHE   8           HA       PHE   8   2.050   0.645   1.558
   77    HB2  PHE   8          2HB       PHE   8  -0.034  -1.594   1.624
   78    HB3  PHE   8          1HB       PHE   8   1.198  -1.740   2.802
   79    HD1  PHE   8           HD1      PHE   8   0.295  -1.131   4.852
   80    HD2  PHE   8           HD2      PHE   8  -0.355   1.482   1.510
   81    HE1  PHE   8           HE1      PHE   8  -0.794   0.505   6.329
   82    HE2  PHE   8           HE2      PHE   8  -1.438   3.106   2.980
   83    HZ   PHE   8           HZ       PHE   8  -1.699   2.617   5.392
   84    H    LEU   9           H        LEU   9   2.114  -2.743   0.417
   85    HA   LEU   9           HA       LEU   9   4.715  -3.388   1.519
   86    HB2  LEU   9          2HB       LEU   9   2.817  -4.662  -0.416
   87    HB3  LEU   9          1HB       LEU   9   4.429  -4.781  -1.026
   88    HG   LEU   9           HG       LEU   9   5.127  -5.634   1.392
   89   HD11  LEU   9          1HD1      LEU   9   3.422  -6.512   2.809
   90   HD12  LEU   9          2HD1      LEU   9   2.675  -4.995   2.285
   91   HD13  LEU   9          3HD1      LEU   9   2.181  -6.525   1.532
   92   HD21  LEU   9          1HD2      LEU   9   4.346  -8.003   0.682
   93   HD22  LEU   9          2HD2      LEU   9   3.512  -7.231  -0.691
   94   HD23  LEU   9          3HD2      LEU   9   5.277  -7.089  -0.520
   95    H    GLY  10           H        GLY  10   4.028  -1.869  -1.603
   96    HA2  GLY  10          1HA       GLY  10   6.767  -1.685  -2.658
   97    HA3  GLY  10          2HA       GLY  10   5.474  -0.573  -3.050
   98    H    ARG  11           H        ARG  11   5.061   0.569  -0.521
   99    HA   ARG  11           HA       ARG  11   7.370   2.497  -0.287
  100    HB2  ARG  11          2HB       ARG  11   4.696   2.178   1.238
  101    HB3  ARG  11          1HB       ARG  11   5.891   3.327   1.759
  102    HG2  ARG  11          2HG       ARG  11   4.816   3.366  -1.133
  103    HG3  ARG  11          1HG       ARG  11   3.984   4.189   0.188
  104    HD2  ARG  11          2HD       ARG  11   6.005   5.529   0.752
  105    HD3  ARG  11          1HD       ARG  11   6.985   4.681  -0.459
  106    HE   ARG  11           HE       ARG  11   4.797   5.704  -1.978
  107   HH11  ARG  11          1HH1      ARG  11   7.337   8.623  -0.958
  108   HH12  ARG  11          2HH1      ARG  11   7.303   7.058  -0.017
  109   HH21  ARG  11          1HH2      ARG  11   5.991   8.822  -2.602
  110   HH22  ARG  11          2HH2      ARG  11   4.843   7.474  -3.045
  111    H    ILE  12           H        ILE  12   5.959   0.088   1.927
  112    HA   ILE  12           HA       ILE  12   8.066   0.360   3.996
  113    HB   ILE  12           HB       ILE  12   6.253  -2.053   3.504
  114   HG12  ILE  12          2HG1      ILE  12   5.586   0.395   5.254
  115   HG13  ILE  12          1HG1      ILE  12   4.817  -0.031   3.753
  116   HG21  ILE  12          1HG2      ILE  12   6.794  -1.699   6.364
  117   HG22  ILE  12          2HG2      ILE  12   7.334  -3.000   5.284
  118   HG23  ILE  12          3HG2      ILE  12   8.342  -1.573   5.545
  119   HD11  ILE  12          1HD1      ILE  12   4.382  -1.290   6.441
  120   HD12  ILE  12          2HD1      ILE  12   3.226  -1.010   5.114
  121   HD13  ILE  12          3HD1      ILE  12   4.327  -2.408   5.060
  122    H    LEU  13           H        LEU  13   7.856  -1.680   1.107
  123    HA   LEU  13           HA       LEU  13  10.056  -3.470   1.428
  124    HB2  LEU  13          2HB       LEU  13   8.670  -2.094  -0.905
  125    HB3  LEU  13          1HB       LEU  13  10.251  -2.617  -1.290
  126    HG   LEU  13           HG       LEU  13   8.158  -4.552  -0.146
  127   HD11  LEU  13          1HD1      LEU  13   8.605  -5.165  -2.911
  128   HD12  LEU  13          2HD1      LEU  13   7.168  -4.401  -2.213
  129   HD13  LEU  13          3HD1      LEU  13   8.460  -3.405  -2.900
  130   HD21  LEU  13          1HD2      LEU  13   9.792  -6.277  -1.117
  131   HD22  LEU  13          2HD2      LEU  13  10.940  -4.953  -1.446
  132   HD23  LEU  13          3HD2      LEU  13  10.476  -5.344   0.224
  133    HN1  NH2  14          1HN       NH2  14  10.444  -0.148   0.098
  134    HN2  NH2  14          2HN       NH2  14  12.213  -0.084   0.607
  Start of MODEL   10
    1    H1   PHE   1          1H        PHE   1 -11.093   7.494   3.007
    2    H2   PHE   1          2H        PHE   1 -11.364   7.040   1.424
    3    H3   PHE   1          3H        PHE   1 -11.744   6.018   2.637
    4    HA   PHE   1           HA       PHE   1  -8.967   6.808   1.967
    5    HB2  PHE   1          2HB       PHE   1  -8.211   5.254   3.645
    6    HB3  PHE   1          1HB       PHE   1  -9.268   6.384   4.421
    7    HD1  PHE   1           HD1      PHE   1  -8.621   2.849   3.765
    8    HD2  PHE   1           HD2      PHE   1 -11.749   5.584   4.927
    9    HE1  PHE   1           HE1      PHE   1  -9.983   0.974   4.588
   10    HE2  PHE   1           HE2      PHE   1 -13.107   3.690   5.683
   11    HZ   PHE   1           HZ       PHE   1 -12.227   1.389   5.536
   12    H    VAL   2           H        VAL   2  -7.774   5.272   0.751
   13    HA   VAL   2           HA       VAL   2  -9.484   3.255  -0.717
   14    HB   VAL   2           HB       VAL   2  -8.358   5.028  -2.081
   15   HG11  VAL   2          1HG1      VAL   2  -5.973   4.820  -2.670
   16   HG12  VAL   2          2HG1      VAL   2  -6.054   4.951  -0.893
   17   HG13  VAL   2          3HG1      VAL   2  -5.794   3.373  -1.646
   18   HG21  VAL   2          1HG2      VAL   2  -7.679   2.109  -2.814
   19   HG22  VAL   2          2HG2      VAL   2  -9.239   2.921  -3.094
   20   HG23  VAL   2          3HG2      VAL   2  -7.791   3.477  -3.943
   21    HA   PH6   3           HA       TCP   3  -7.037   0.022   1.551
   22    HB2  PH6   3          1HB       TCP   3  -8.828  -1.347   1.413
   23    HB3  PH6   3          2HB       TCP   3  -7.937  -2.186   0.165
   24    HG2  PH6   3           HG       TCP   3  -9.019  -1.097  -1.628
   25    HD2  PH6   3          1HD       TCP   3 -10.208   1.209  -0.066
   26    HD3  PH6   3          2HD       TCP   3  -9.440   1.139  -1.656
   27    H1   PH6   3           H19      TCP   3 -12.876  -2.663   1.052
   28    H61  PH6   3           H20      TCP   3 -14.829  -1.452  -0.008
   29    H62  PH6   3           H21      TCP   3 -13.906   0.051  -0.051
   30    H21  PH6   3           H17      TCP   3 -11.552   0.099   1.065
   31    H22  PH6   3           H18      TCP   3 -13.342  -1.262   2.024
   32    H51  PH6   3           H11      TCP   3 -13.855  -1.071  -2.309
   33    H52  PH6   3           H12      TCP   3 -13.195  -2.543  -1.595
   34    H41  PH6   3           H13      TCP   3 -11.354  -1.206  -2.623
   35    H42  PH6   3           H14      TCP   3 -11.828   0.212  -1.700
   36    H31  PH6   3           H15      TCP   3 -10.757  -2.447  -0.534
   37    H32  PH6   3           H16      TCP   3 -10.890  -1.369   1.751
   38    H    TRP   4           H        TRP   4  -5.085   0.773   0.889
   39    HA   TRP   4           HA       TRP   4  -3.842  -0.076  -1.710
   40    HB2  TRP   4          1HB       TRP   4  -2.860   1.465   0.750
   41    HB3  TRP   4          2HB       TRP   4  -1.702   0.860  -0.378
   42    HD1  TRP   4           HD1      TRP   4  -3.336   1.490  -3.232
   43    HE1  TRP   4           HE1      TRP   4  -3.547   3.957  -4.117
   44    HE3  TRP   4           HE3      TRP   4  -2.528   3.775   1.260
   45    HZ2  TRP   4           HZ2      TRP   4  -3.255   6.496  -2.880
   46    HZ3  TRP   4           HZ3      TRP   4  -2.525   6.245   1.354
   47    HH2  TRP   4           HH2      TRP   4  -2.900   7.592  -0.680
   48    H    PHE   5           H        PHE   5  -3.739  -2.173  -1.876
   49    HA   PHE   5           HA       PHE   5  -2.607  -3.969   0.200
   50    HB2  PHE   5          2HB       PHE   5  -3.143  -4.813  -2.707
   51    HB3  PHE   5          1HB       PHE   5  -3.101  -5.797  -1.285
   52    HD1  PHE   5           HD1      PHE   5  -5.001  -5.312   0.537
   53    HD2  PHE   5           HD2      PHE   5  -5.202  -3.960  -3.541
   54    HE1  PHE   5           HE1      PHE   5  -7.447  -5.087   0.721
   55    HE2  PHE   5           HE2      PHE   5  -7.639  -3.731  -3.343
   56    HZ   PHE   5           HZ       PHE   5  -8.772  -4.312  -1.224
   57    H    SER   6           H        SER   6  -1.589  -3.713  -3.164
   58    HA   SER   6           HA       SER   6   1.254  -4.425  -2.624
   59    HB2  SER   6          2HB       SER   6   0.027  -3.281  -5.228
   60    HB3  SER   6          1HB       SER   6   1.596  -4.066  -5.045
   61    HG   SER   6           HG       SER   6  -0.878  -5.217  -5.271
   62    H    LYS   7           H        LYS   7  -0.381  -1.357  -3.361
   63    HA   LYS   7           HA       LYS   7   1.948   0.416  -3.528
   64    HB2  LYS   7          2HB       LYS   7  -0.507   1.033  -4.049
   65    HB3  LYS   7          1HB       LYS   7  -0.829   0.963  -2.345
   66    HG2  LYS   7          2HG       LYS   7  -0.567   3.283  -2.848
   67    HG3  LYS   7          1HG       LYS   7   0.861   2.871  -1.946
   68    HD2  LYS   7          2HD       LYS   7   2.292   2.850  -3.935
   69    HD3  LYS   7          1HD       LYS   7   0.947   2.590  -5.011
   70    HE2  LYS   7          2HE       LYS   7   1.391   4.831  -5.483
   71    HE3  LYS   7          1HE       LYS   7   0.003   4.936  -4.398
   72    HZ1  LYS   7          1HZ       LYS   7   1.826   6.441  -3.633
   73    HZ2  LYS   7          2HZ       LYS   7   1.613   5.218  -2.507
   74    HZ3  LYS   7          3HZ       LYS   7   2.898   5.173  -3.555
   75    H    PHE   8           H        PHE   8   0.334  -0.864  -0.678
   76    HA   PHE   8           HA       PHE   8   1.841   0.739   1.341
   77    HB2  PHE   8          2HB       PHE   8  -0.431  -1.143   1.384
   78    HB3  PHE   8          1HB       PHE   8   0.783  -1.881   2.323
   79    HD1  PHE   8           HD1      PHE   8  -0.624   1.608   1.829
   80    HD2  PHE   8           HD2      PHE   8   0.788  -1.341   4.613
   81    HE1  PHE   8           HE1      PHE   8  -1.141   3.126   3.705
   82    HE2  PHE   8           HE2      PHE   8   0.281   0.175   6.478
   83    HZ   PHE   8           HZ       PHE   8  -0.690   2.409   6.036
   84    H    LEU   9           H        LEU   9   2.018  -2.696   0.365
   85    HA   LEU   9           HA       LEU   9   4.580  -3.272   1.587
   86    HB2  LEU   9          2HB       LEU   9   2.740  -4.630  -0.340
   87    HB3  LEU   9          1HB       LEU   9   4.371  -4.763  -0.911
   88    HG   LEU   9           HG       LEU   9   5.098  -5.595   1.405
   89   HD11  LEU   9          1HD1      LEU   9   2.167  -6.321   1.979
   90   HD12  LEU   9          2HD1      LEU   9   3.538  -6.135   3.098
   91   HD13  LEU   9          3HD1      LEU   9   2.721  -4.708   2.450
   92   HD21  LEU   9          1HD2      LEU   9   4.725  -7.089  -0.589
   93   HD22  LEU   9          2HD2      LEU   9   4.291  -7.908   0.923
   94   HD23  LEU   9          3HD2      LEU   9   3.012  -7.275  -0.146
   95    H    GLY  10           H        GLY  10   4.009  -1.898  -1.630
   96    HA2  GLY  10          1HA       GLY  10   6.785  -1.720  -2.569
   97    HA3  GLY  10          2HA       GLY  10   5.507  -0.631  -3.055
   98    H    ARG  11           H        ARG  11   5.010   0.575  -0.566
   99    HA   ARG  11           HA       ARG  11   7.272   2.581  -0.338
  100    HB2  ARG  11          2HB       ARG  11   4.601   2.222   1.173
  101    HB3  ARG  11          1HB       ARG  11   5.747   3.438   1.609
  102    HG2  ARG  11          2HG       ARG  11   4.939   3.426  -1.343
  103    HG3  ARG  11          1HG       ARG  11   3.664   3.770  -0.180
  104    HD2  ARG  11          2HD       ARG  11   5.488   5.470   0.902
  105    HD3  ARG  11          1HD       ARG  11   6.323   5.297  -0.650
  106    HE   ARG  11           HE       ARG  11   3.494   5.905  -1.151
  107   HH11  ARG  11          1HH1      ARG  11   5.463   9.143   0.114
  108   HH12  ARG  11          2HH1      ARG  11   6.149   7.475   0.397
  109   HH21  ARG  11          1HH2      ARG  11   3.650   9.305  -0.950
  110   HH22  ARG  11          2HH2      ARG  11   2.730   7.846  -1.517
  111    H    ILE  12           H        ILE  12   5.803   0.198   1.902
  112    HA   ILE  12           HA       ILE  12   7.816   0.578   4.050
  113    HB   ILE  12           HB       ILE  12   6.039  -1.866   3.582
  114   HG12  ILE  12          2HG1      ILE  12   5.294   0.641   5.215
  115   HG13  ILE  12          1HG1      ILE  12   4.580   0.150   3.702
  116   HG21  ILE  12          1HG2      ILE  12   7.053  -2.739   5.436
  117   HG22  ILE  12          2HG2      ILE  12   8.045  -1.299   5.682
  118   HG23  ILE  12          3HG2      ILE  12   6.471  -1.403   6.446
  119   HD11  ILE  12          1HD1      ILE  12   3.965  -2.149   4.961
  120   HD12  ILE  12          2HD1      ILE  12   4.153  -1.136   6.414
  121   HD13  ILE  12          3HD1      ILE  12   2.973  -0.685   5.171
  122    H    LEU  13           H        LEU  13   7.740  -1.560   1.229
  123    HA   LEU  13           HA       LEU  13   9.918  -3.337   1.699
  124    HB2  LEU  13          2HB       LEU  13   8.612  -2.048  -0.726
  125    HB3  LEU  13          1HB       LEU  13  10.206  -2.578  -1.045
  126    HG   LEU  13           HG       LEU  13   8.173  -4.507   0.188
  127   HD11  LEU  13          1HD1      LEU  13   8.378  -3.472  -2.650
  128   HD12  LEU  13          2HD1      LEU  13   8.380  -5.236  -2.535
  129   HD13  LEU  13          3HD1      LEU  13   7.048  -4.309  -1.829
  130   HD21  LEU  13          1HD2      LEU  13   9.759  -6.221  -0.443
  131   HD22  LEU  13          2HD2      LEU  13  10.668  -5.134  -1.526
  132   HD23  LEU  13          3HD2      LEU  13  10.788  -4.947   0.231
  133    HN1  NH2  14          1HN       NH2  14  12.215  -0.085   0.638
  134    HN2  NH2  14          2HN       NH2  14  10.523  -0.252  -0.096
  Start of MODEL   11
    1    H1   PHE   1          1H        PHE   1 -12.479   7.124   2.402
    2    H2   PHE   1          2H        PHE   1 -12.966   6.152   1.138
    3    H3   PHE   1          3H        PHE   1 -12.600   5.483   2.579
    4    HA   PHE   1           HA       PHE   1 -10.608   6.812   0.828
    5    HB2  PHE   1          2HB       PHE   1  -8.903   6.051   2.407
    6    HB3  PHE   1          1HB       PHE   1 -10.014   7.102   3.218
    7    HD1  PHE   1           HD1      PHE   1  -8.685   3.634   3.033
    8    HD2  PHE   1           HD2      PHE   1 -11.655   6.128   4.921
    9    HE1  PHE   1           HE1      PHE   1  -9.116   1.885   4.708
   10    HE2  PHE   1           HE2      PHE   1 -12.087   4.352   6.558
   11    HZ   PHE   1           HZ       PHE   1 -10.817   2.238   6.466
   12    H    VAL   2           H        VAL   2  -9.085   5.350  -0.201
   13    HA   VAL   2           HA       VAL   2 -10.348   2.698  -0.861
   14    HB   VAL   2           HB       VAL   2  -9.779   4.274  -2.725
   15   HG11  VAL   2          1HG1      VAL   2  -7.423   4.924  -1.858
   16   HG12  VAL   2          2HG1      VAL   2  -6.872   3.313  -2.333
   17   HG13  VAL   2          3HG1      VAL   2  -7.474   4.443  -3.574
   18   HG21  VAL   2          1HG2      VAL   2  -9.044   2.459  -4.261
   19   HG22  VAL   2          2HG2      VAL   2  -8.526   1.460  -2.886
   20   HG23  VAL   2          3HG2      VAL   2 -10.247   1.851  -3.117
   21    HA   PH6   3           HA       TCP   3  -7.068   0.694   1.714
   22    HB2  PH6   3          1HB       TCP   3  -8.461  -1.038   2.107
   23    HB3  PH6   3          2HB       TCP   3  -7.511  -1.930   0.940
   24    HG2  PH6   3           HG       TCP   3  -8.986  -1.554  -0.857
   25    HD2  PH6   3          1HD       TCP   3 -10.523   0.773   0.319
   26    HD3  PH6   3          2HD       TCP   3  -9.902   0.474  -1.307
   27    H1   PH6   3           H19      TCP   3 -10.261  -2.921   0.745
   28    H61  PH6   3           H20      TCP   3 -10.434  -1.366   2.733
   29    H62  PH6   3           H21      TCP   3 -11.475  -0.277   1.841
   30    H21  PH6   3           H17      TCP   3 -11.307  -2.377  -1.461
   31    H22  PH6   3           H18      TCP   3 -12.010  -0.902  -0.815
   32    H51  PH6   3           H11      TCP   3 -12.814  -1.694   3.315
   33    H52  PH6   3           H12      TCP   3 -12.127  -3.167   2.620
   34    H41  PH6   3           H13      TCP   3 -14.390  -2.674   1.601
   35    H42  PH6   3           H14      TCP   3 -13.844  -1.073   1.101
   36    H31  PH6   3           H15      TCP   3 -13.733  -2.678  -0.840
   37    H32  PH6   3           H16      TCP   3 -12.694  -3.766   0.081
   38    H    TRP   4           H        TRP   4  -5.087   0.994   1.131
   39    HA   TRP   4           HA       TRP   4  -4.004   0.186  -1.612
   40    HB2  TRP   4          1HB       TRP   4  -2.911   1.986   0.629
   41    HB3  TRP   4          2HB       TRP   4  -1.976   1.478  -0.723
   42    HD1  TRP   4           HD1      TRP   4  -3.497   1.998  -3.340
   43    HE1  TRP   4           HE1      TRP   4  -4.532   4.311  -4.098
   44    HE3  TRP   4           HE3      TRP   4  -3.793   4.066   1.309
   45    HZ2  TRP   4           HZ2      TRP   4  -5.207   6.694  -2.708
   46    HZ3  TRP   4           HZ3      TRP   4  -4.664   6.364   1.547
   47    HH2  TRP   4           HH2      TRP   4  -5.376   7.660  -0.428
   48    H    PHE   5           H        PHE   5  -3.761  -1.970  -1.443
   49    HA   PHE   5           HA       PHE   5  -2.197  -3.271   0.735
   50    HB2  PHE   5          2HB       PHE   5  -3.040  -4.651  -1.874
   51    HB3  PHE   5          1HB       PHE   5  -2.657  -5.381  -0.348
   52    HD1  PHE   5           HD1      PHE   5  -5.301  -4.368  -2.457
   53    HD2  PHE   5           HD2      PHE   5  -4.271  -4.576   1.715
   54    HE1  PHE   5           HE1      PHE   5  -7.683  -4.369  -1.867
   55    HE2  PHE   5           HE2      PHE   5  -6.665  -4.578   2.295
   56    HZ   PHE   5           HZ       PHE   5  -8.376  -4.501   0.504
   57    H    SER   6           H        SER   6  -1.621  -3.488  -2.766
   58    HA   SER   6           HA       SER   6   1.254  -4.054  -2.703
   59    HB2  SER   6          2HB       SER   6   0.170  -4.534  -4.748
   60    HB3  SER   6          1HB       SER   6  -0.688  -2.989  -4.834
   61    HG   SER   6           HG       SER   6   1.067  -3.019  -6.286
   62    H    LYS   7           H        LYS   7  -0.362  -0.919  -2.969
   63    HA   LYS   7           HA       LYS   7   2.000   0.792  -3.081
   64    HB2  LYS   7          2HB       LYS   7  -0.917   1.136  -2.727
   65    HB3  LYS   7          1HB       LYS   7  -0.151   2.026  -1.452
   66    HG2  LYS   7          2HG       LYS   7   0.875   2.368  -4.312
   67    HG3  LYS   7          1HG       LYS   7  -0.644   3.077  -3.866
   68    HD2  LYS   7          2HD       LYS   7   1.604   3.601  -1.846
   69    HD3  LYS   7          1HD       LYS   7   1.933   4.178  -3.457
   70    HE2  LYS   7          2HE       LYS   7  -0.693   5.164  -3.196
   71    HE3  LYS   7          1HE       LYS   7  -0.320   5.010  -1.488
   72    HZ1  LYS   7          1HZ       LYS   7   0.403   7.240  -2.459
   73    HZ2  LYS   7          2HZ       LYS   7   1.731   6.421  -1.908
   74    HZ3  LYS   7          3HZ       LYS   7   1.399   6.476  -3.516
   75    H    PHE   8           H        PHE   8   0.574  -0.690  -0.278
   76    HA   PHE   8           HA       PHE   8   2.320   0.620   1.779
   77    HB2  PHE   8          2HB       PHE   8   0.063  -1.428   1.741
   78    HB3  PHE   8          1HB       PHE   8   1.346  -1.895   2.781
   79    HD1  PHE   8           HD1      PHE   8  -0.238   1.468   1.965
   80    HD2  PHE   8           HD2      PHE   8   0.923  -1.347   4.997
   81    HE1  PHE   8           HE1      PHE   8  -0.986   3.036   3.712
   82    HE2  PHE   8           HE2      PHE   8   0.137   0.199   6.733
   83    HZ   PHE   8           HZ       PHE   8  -0.813   2.399   6.103
   84    H    LEU   9           H        LEU   9   2.232  -2.680   0.418
   85    HA   LEU   9           HA       LEU   9   4.838  -3.500   1.406
   86    HB2  LEU   9          2HB       LEU   9   2.799  -4.580  -0.445
   87    HB3  LEU   9          1HB       LEU   9   4.339  -4.739  -1.214
   88    HG   LEU   9           HG       LEU   9   3.774  -5.766   1.631
   89   HD11  LEU   9          1HD1      LEU   9   4.146  -7.985  -0.147
   90   HD12  LEU   9          2HD1      LEU   9   2.625  -7.431   0.569
   91   HD13  LEU   9          3HD1      LEU   9   3.093  -6.896  -1.054
   92   HD21  LEU   9          1HD2      LEU   9   5.930  -7.125   1.180
   93   HD22  LEU   9          2HD2      LEU   9   6.219  -6.095  -0.241
   94   HD23  LEU   9          3HD2      LEU   9   6.194  -5.391   1.389
   95    H    GLY  10           H        GLY  10   4.108  -1.799  -1.626
   96    HA2  GLY  10          1HA       GLY  10   6.811  -1.645  -2.764
   97    HA3  GLY  10          2HA       GLY  10   5.549  -0.467  -3.039
   98    H    ARG  11           H        ARG  11   5.293   0.550  -0.447
   99    HA   ARG  11           HA       ARG  11   7.695   2.373  -0.173
  100    HB2  ARG  11          2HB       ARG  11   5.005   2.063   1.308
  101    HB3  ARG  11          1HB       ARG  11   6.278   2.951   2.051
  102    HG2  ARG  11          2HG       ARG  11   5.917   3.843  -0.805
  103    HG3  ARG  11          1HG       ARG  11   4.411   3.912   0.107
  104    HD2  ARG  11          2HD       ARG  11   5.742   5.129   2.005
  105    HD3  ARG  11          1HD       ARG  11   7.134   5.187   0.903
  106    HE   ARG  11           HE       ARG  11   4.994   6.332  -0.612
  107   HH11  ARG  11          1HH1      ARG  11   6.238   8.852   2.244
  108   HH12  ARG  11          2HH1      ARG  11   6.625   7.072   2.348
  109   HH21  ARG  11          1HH2      ARG  11   5.107   9.525   0.577
  110   HH22  ARG  11          2HH2      ARG  11   4.566   8.373  -0.727
  111    H    ILE  12           H        ILE  12   6.256  -0.141   1.927
  112    HA   ILE  12           HA       ILE  12   8.440  -0.069   3.934
  113    HB   ILE  12           HB       ILE  12   6.515  -2.377   3.380
  114   HG12  ILE  12          2HG1      ILE  12   6.020  -0.017   5.300
  115   HG13  ILE  12          1HG1      ILE  12   5.178  -0.312   3.806
  116   HG21  ILE  12          1HG2      ILE  12   7.632  -3.465   5.055
  117   HG22  ILE  12          2HG2      ILE  12   8.696  -2.091   5.365
  118   HG23  ILE  12          3HG2      ILE  12   7.173  -2.218   6.231
  119   HD11  ILE  12          1HD1      ILE  12   4.706  -1.619   6.433
  120   HD12  ILE  12          2HD1      ILE  12   3.592  -1.397   5.059
  121   HD13  ILE  12          3HD1      ILE  12   4.717  -2.774   5.083
  122    H    LEU  13           H        LEU  13   8.041  -1.936   0.953
  123    HA   LEU  13           HA       LEU  13  10.192  -3.815   1.053
  124    HB2  LEU  13          2HB       LEU  13   8.747  -2.229  -1.105
  125    HB3  LEU  13          1HB       LEU  13  10.292  -2.758  -1.596
  126    HG   LEU  13           HG       LEU  13   8.222  -4.741  -0.480
  127   HD11  LEU  13          1HD1      LEU  13   7.160  -3.938  -2.442
  128   HD12  LEU  13          2HD1      LEU  13   8.678  -3.656  -3.324
  129   HD13  LEU  13          3HD1      LEU  13   8.069  -5.309  -3.079
  130   HD21  LEU  13          1HD2      LEU  13  10.998  -4.997  -1.801
  131   HD22  LEU  13          2HD2      LEU  13  10.382  -5.769  -0.326
  132   HD23  LEU  13          3HD2      LEU  13   9.821  -6.325  -1.912
  133    HN1  NH2  14          1HN       NH2  14  12.418  -0.435   0.478
  134    HN2  NH2  14          2HN       NH2  14  10.617  -0.375   0.110
  Start of MODEL   12
    1    H1   PHE   1          1H        PHE   1 -11.115   7.310   3.101
    2    H2   PHE   1          2H        PHE   1 -11.781   6.606   1.743
    3    H3   PHE   1          3H        PHE   1 -11.451   5.688   3.045
    4    HA   PHE   1           HA       PHE   1  -9.379   6.998   1.375
    5    HB2  PHE   1          2HB       PHE   1  -7.715   5.946   2.746
    6    HB3  PHE   1          1HB       PHE   1  -8.738   6.826   3.825
    7    HD1  PHE   1           HD1      PHE   1 -10.622   5.404   5.110
    8    HD2  PHE   1           HD2      PHE   1  -7.264   3.587   3.103
    9    HE1  PHE   1           HE1      PHE   1 -11.022   3.308   6.311
   10    HE2  PHE   1           HE2      PHE   1  -7.657   1.514   4.363
   11    HZ   PHE   1           HZ       PHE   1  -9.537   1.368   5.962
   12    H    VAL   2           H        VAL   2  -7.887   5.290   0.405
   13    HA   VAL   2           HA       VAL   2  -9.589   3.103  -0.794
   14    HB   VAL   2           HB       VAL   2  -8.566   4.783  -2.351
   15   HG11  VAL   2          1HG1      VAL   2  -5.944   3.217  -1.954
   16   HG12  VAL   2          2HG1      VAL   2  -6.213   4.633  -3.002
   17   HG13  VAL   2          3HG1      VAL   2  -6.199   4.805  -1.229
   18   HG21  VAL   2          1HG2      VAL   2  -8.062   3.100  -4.101
   19   HG22  VAL   2          2HG2      VAL   2  -7.833   1.831  -2.875
   20   HG23  VAL   2          3HG2      VAL   2  -9.436   2.563  -3.126
   21    HA   PH6   3           HA       TCP   3  -6.940   0.146   1.630
   22    HB2  PH6   3          1HB       TCP   3  -8.708  -1.263   1.709
   23    HB3  PH6   3          2HB       TCP   3  -7.859  -2.188   0.495
   24    HG2  PH6   3           HG       TCP   3  -9.039  -1.295  -1.334
   25    HD2  PH6   3          1HD       TCP   3 -10.224   1.110   0.074
   26    HD3  PH6   3          2HD       TCP   3  -9.524   0.918  -1.539
   27    H1   PH6   3           H19      TCP   3 -12.722  -2.720   1.648
   28    H61  PH6   3           H20      TCP   3 -14.756  -1.648   0.589
   29    H62  PH6   3           H21      TCP   3 -13.876  -0.134   0.375
   30    H21  PH6   3           H17      TCP   3 -11.476   0.064   1.366
   31    H22  PH6   3           H18      TCP   3 -13.180  -1.253   2.523
   32    H51  PH6   3           H11      TCP   3 -13.901  -1.442  -1.781
   33    H52  PH6   3           H12      TCP   3 -13.168  -2.833  -0.980
   34    H41  PH6   3           H13      TCP   3 -11.415  -1.546  -2.206
   35    H42  PH6   3           H14      TCP   3 -11.885  -0.065  -1.384
   36    H31  PH6   3           H15      TCP   3 -10.685  -2.589  -0.052
   37    H32  PH6   3           H16      TCP   3 -10.744  -1.326   2.139
   38    H    TRP   4           H        TRP   4  -5.092   0.979   0.705
   39    HA   TRP   4           HA       TRP   4  -3.951  -0.117  -1.824
   40    HB2  TRP   4          1HB       TRP   4  -2.899   1.675   0.434
   41    HB3  TRP   4          2HB       TRP   4  -1.786   0.975  -0.673
   42    HD1  TRP   4           HD1      TRP   4  -3.517   1.299  -3.513
   43    HE1  TRP   4           HE1      TRP   4  -3.810   3.678  -4.626
   44    HE3  TRP   4           HE3      TRP   4  -2.632   4.035   0.705
   45    HZ2  TRP   4           HZ2      TRP   4  -3.556   6.316  -3.655
   46    HZ3  TRP   4           HZ3      TRP   4  -2.702   6.502   0.556
   47    HH2  TRP   4           HH2      TRP   4  -3.174   7.629  -1.587
   48    H    PHE   5           H        PHE   5  -3.917  -2.263  -1.721
   49    HA   PHE   5           HA       PHE   5  -2.584  -3.811   0.394
   50    HB2  PHE   5          2HB       PHE   5  -3.182  -4.915  -2.408
   51    HB3  PHE   5          1HB       PHE   5  -3.063  -5.783  -0.912
   52    HD1  PHE   5           HD1      PHE   5  -4.884  -4.774   0.995
   53    HD2  PHE   5           HD2      PHE   5  -5.346  -4.656  -3.281
   54    HE1  PHE   5           HE1      PHE   5  -7.325  -4.610   1.252
   55    HE2  PHE   5           HE2      PHE   5  -7.780  -4.474  -3.009
   56    HZ   PHE   5           HZ       PHE   5  -8.779  -4.461  -0.747
   57    H    SER   6           H        SER   6  -1.676  -3.715  -3.023
   58    HA   SER   6           HA       SER   6   1.172  -4.369  -2.576
   59    HB2  SER   6          2HB       SER   6  -0.080  -3.152  -5.127
   60    HB3  SER   6          1HB       SER   6   1.434  -4.058  -4.990
   61    HG   SER   6           HG       SER   6  -0.204  -5.433  -5.714
   62    H    LYS   7           H        LYS   7  -0.489  -1.312  -3.164
   63    HA   LYS   7           HA       LYS   7   1.833   0.492  -3.409
   64    HB2  LYS   7          2HB       LYS   7  -1.105   0.808  -3.073
   65    HB3  LYS   7          1HB       LYS   7  -0.314   1.827  -1.918
   66    HG2  LYS   7          2HG       LYS   7  -0.514   3.276  -3.652
   67    HG3  LYS   7          1HG       LYS   7   1.162   2.794  -3.726
   68    HD2  LYS   7          2HD       LYS   7  -0.310   0.859  -5.397
   69    HD3  LYS   7          1HD       LYS   7  -1.122   2.384  -5.637
   70    HE2  LYS   7          2HE       LYS   7   1.590   3.203  -5.902
   71    HE3  LYS   7          1HE       LYS   7   1.755   1.500  -6.316
   72    HZ1  LYS   7          1HZ       LYS   7   1.180   2.897  -8.333
   73    HZ2  LYS   7          2HZ       LYS   7  -0.058   1.848  -8.057
   74    HZ3  LYS   7          3HZ       LYS   7  -0.203   3.420  -7.623
   75    H    PHE   8           H        PHE   8   0.276  -0.803  -0.540
   76    HA   PHE   8           HA       PHE   8   1.835   0.780   1.432
   77    HB2  PHE   8          2HB       PHE   8  -0.456  -0.745   1.670
   78    HB3  PHE   8          1HB       PHE   8   0.656  -1.979   2.125
   79    HD1  PHE   8           HD1      PHE   8   2.498  -1.185   3.963
   80    HD2  PHE   8           HD2      PHE   8  -1.271   0.740   3.274
   81    HE1  PHE   8           HE1      PHE   8   2.642  -0.111   6.181
   82    HE2  PHE   8           HE2      PHE   8  -1.139   1.791   5.501
   83    HZ   PHE   8           HZ       PHE   8   0.834   1.384   6.950
   84    H    LEU   9           H        LEU   9   2.042  -2.669   0.439
   85    HA   LEU   9           HA       LEU   9   4.637  -3.263   1.569
   86    HB2  LEU   9          2HB       LEU   9   2.772  -4.535  -0.389
   87    HB3  LEU   9          1HB       LEU   9   4.348  -4.643  -1.005
   88    HG   LEU   9           HG       LEU   9   4.694  -5.441   1.772
   89   HD11  LEU   9          1HD1      LEU   9   2.955  -7.395   1.770
   90   HD12  LEU   9          2HD1      LEU   9   2.385  -5.777   2.210
   91   HD13  LEU   9          3HD1      LEU   9   2.033  -6.436   0.595
   92   HD21  LEU   9          1HD2      LEU   9   4.820  -6.829  -0.943
   93   HD22  LEU   9          2HD2      LEU   9   6.079  -6.528   0.272
   94   HD23  LEU   9          3HD2      LEU   9   4.883  -7.804   0.537
   95    H    GLY  10           H        GLY  10   3.978  -1.767  -1.570
   96    HA2  GLY  10          1HA       GLY  10   6.713  -1.588  -2.636
   97    HA3  GLY  10          2HA       GLY  10   5.430  -0.454  -3.000
   98    H    ARG  11           H        ARG  11   5.032   0.703  -0.523
   99    HA   ARG  11           HA       ARG  11   7.385   2.567  -0.196
  100    HB2  ARG  11          2HB       ARG  11   4.590   2.314   1.076
  101    HB3  ARG  11          1HB       ARG  11   5.786   3.244   1.913
  102    HG2  ARG  11          2HG       ARG  11   5.458   3.860  -1.059
  103    HG3  ARG  11          1HG       ARG  11   4.148   4.346  -0.020
  104    HD2  ARG  11          2HD       ARG  11   7.107   5.038   0.623
  105    HD3  ARG  11          1HD       ARG  11   6.142   6.053  -0.461
  106    HE   ARG  11           HE       ARG  11   4.490   5.766   1.881
  107   HH11  ARG  11          1HH1      ARG  11   7.578   8.142   2.731
  108   HH12  ARG  11          2HH1      ARG  11   7.693   6.949   1.350
  109   HH21  ARG  11          1HH2      ARG  11   5.760   8.226   3.833
  110   HH22  ARG  11          2HH2      ARG  11   4.361   7.134   3.424
  111    H    ILE  12           H        ILE  12   5.899   0.100   1.908
  112    HA   ILE  12           HA       ILE  12   7.947   0.307   4.048
  113    HB   ILE  12           HB       ILE  12   6.137  -2.081   3.409
  114   HG12  ILE  12          2HG1      ILE  12   4.669  -0.144   3.723
  115   HG13  ILE  12          1HG1      ILE  12   4.495  -1.291   5.020
  116   HG21  ILE  12          1HG2      ILE  12   7.532  -1.313   6.058
  117   HG22  ILE  12          2HG2      ILE  12   6.361  -2.645   5.881
  118   HG23  ILE  12          3HG2      ILE  12   7.920  -2.710   5.042
  119   HD11  ILE  12          1HD1      ILE  12   4.518   1.245   5.668
  120   HD12  ILE  12          2HD1      ILE  12   5.623   0.211   6.609
  121   HD13  ILE  12          3HD1      ILE  12   6.257   1.252   5.309
  122    H    LEU  13           H        LEU  13   7.825  -1.669   1.124
  123    HA   LEU  13           HA       LEU  13  10.072  -3.406   1.509
  124    HB2  LEU  13          2HB       LEU  13   8.665  -2.116  -0.875
  125    HB3  LEU  13          1HB       LEU  13  10.253  -2.662  -1.225
  126    HG   LEU  13           HG       LEU  13   8.160  -4.535   0.020
  127   HD11  LEU  13          1HD1      LEU  13   8.016  -5.436  -2.408
  128   HD12  LEU  13          2HD1      LEU  13   7.305  -3.829  -2.177
  129   HD13  LEU  13          3HD1      LEU  13   8.904  -3.990  -2.940
  130   HD21  LEU  13          1HD2      LEU  13   9.729  -6.320  -0.582
  131   HD22  LEU  13          2HD2      LEU  13  10.749  -5.220  -1.548
  132   HD23  LEU  13          3HD2      LEU  13  10.728  -5.097   0.217
  133    HN1  NH2  14          1HN       NH2  14  12.118   0.025   0.577
  134    HN2  NH2  14          2HN       NH2  14  10.361  -0.127   0.035
  Start of MODEL   13
    1    H1   PHE   1          1H        PHE   1 -12.342   7.236   1.737
    2    H2   PHE   1          2H        PHE   1 -13.001   5.964   0.889
    3    H3   PHE   1          3H        PHE   1 -12.268   5.684   2.318
    4    HA   PHE   1           HA       PHE   1 -10.854   6.622  -0.118
    5    HB2  PHE   1          2HB       PHE   1  -8.799   6.470   1.104
    6    HB3  PHE   1          1HB       PHE   1  -9.846   7.474   2.045
    7    HD1  PHE   1           HD1      PHE   1 -10.750   6.589   4.283
    8    HD2  PHE   1           HD2      PHE   1  -8.042   4.245   1.899
    9    HE1  PHE   1           HE1      PHE   1 -10.410   5.040   6.164
   10    HE2  PHE   1           HE2      PHE   1  -7.742   2.690   3.775
   11    HZ   PHE   1           HZ       PHE   1  -8.913   3.091   5.915
   12    H    VAL   2           H        VAL   2  -9.411   4.996  -1.087
   13    HA   VAL   2           HA       VAL   2 -10.617   2.263  -0.972
   14    HB   VAL   2           HB       VAL   2 -10.126   3.387  -3.162
   15   HG11  VAL   2          1HG1      VAL   2  -7.719   4.194  -2.570
   16   HG12  VAL   2          2HG1      VAL   2  -7.211   2.506  -2.688
   17   HG13  VAL   2          3HG1      VAL   2  -7.862   3.331  -4.123
   18   HG21  VAL   2          1HG2      VAL   2  -9.432   1.268  -4.292
   19   HG22  VAL   2          2HG2      VAL   2  -8.884   0.590  -2.745
   20   HG23  VAL   2          3HG2      VAL   2 -10.609   0.942  -3.011
   21    HA   PH6   3           HA       TCP   3  -7.192   0.806   1.821
   22    HB2  PH6   3          1HB       TCP   3  -8.621  -0.727   2.665
   23    HB3  PH6   3          2HB       TCP   3  -7.736  -1.897   1.716
   24    HG2  PH6   3           HG       TCP   3  -9.253  -1.907  -0.088
   25    HD2  PH6   3          1HD       TCP   3 -10.737   0.641   0.610
   26    HD3  PH6   3          2HD       TCP   3 -10.197  -0.018  -0.939
   27    H1   PH6   3           H19      TCP   3 -12.243  -2.691   3.776
   28    H61  PH6   3           H20      TCP   3 -14.549  -2.397   2.774
   29    H62  PH6   3           H21      TCP   3 -14.019  -0.950   1.915
   30    H21  PH6   3           H17      TCP   3 -11.619  -0.046   2.363
   31    H22  PH6   3           H18      TCP   3 -12.894  -1.093   4.166
   32    H51  PH6   3           H11      TCP   3 -14.004  -2.940   0.366
   33    H52  PH6   3           H12      TCP   3 -12.927  -3.817   1.455
   34    H41  PH6   3           H13      TCP   3 -11.605  -2.814  -0.410
   35    H42  PH6   3           H14      TCP   3 -12.275  -1.225  -0.071
   36    H31  PH6   3           H15      TCP   3 -10.463  -2.881   1.814
   37    H32  PH6   3           H16      TCP   3 -10.547  -0.931   3.426
   38    H    TRP   4           H        TRP   4  -5.692   1.539   0.294
   39    HA   TRP   4           HA       TRP   4  -4.625  -0.233  -1.814
   40    HB2  TRP   4          1HB       TRP   4  -3.641   2.388  -0.566
   41    HB3  TRP   4          2HB       TRP   4  -2.652   1.437  -1.638
   42    HD1  TRP   4           HD1      TRP   4  -4.576   0.520  -3.985
   43    HE1  TRP   4           HE1      TRP   4  -5.470   2.250  -5.769
   44    HE3  TRP   4           HE3      TRP   4  -3.906   4.707  -1.131
   45    HZ2  TRP   4           HZ2      TRP   4  -5.714   5.072  -5.786
   46    HZ3  TRP   4           HZ3      TRP   4  -4.481   6.911  -2.099
   47    HH2  TRP   4           HH2      TRP   4  -5.396   7.092  -4.381
   48    H    PHE   5           H        PHE   5  -4.087  -2.125  -1.046
   49    HA   PHE   5           HA       PHE   5  -2.211  -2.613   1.171
   50    HB2  PHE   5          2HB       PHE   5  -2.905  -4.707  -0.957
   51    HB3  PHE   5          1HB       PHE   5  -2.422  -4.964   0.693
   52    HD1  PHE   5           HD1      PHE   5  -5.177  -5.041  -1.448
   53    HD2  PHE   5           HD2      PHE   5  -4.145  -3.689   2.504
   54    HE1  PHE   5           HE1      PHE   5  -7.539  -5.148  -0.790
   55    HE2  PHE   5           HE2      PHE   5  -6.516  -3.810   3.152
   56    HZ   PHE   5           HZ       PHE   5  -8.217  -4.549   1.510
   57    H    SER   6           H        SER   6  -1.809  -3.087  -2.324
   58    HA   SER   6           HA       SER   6   1.062  -3.648  -2.466
   59    HB2  SER   6          2HB       SER   6  -1.015  -2.474  -4.414
   60    HB3  SER   6          1HB       SER   6   0.679  -2.337  -4.830
   61    HG   SER   6           HG       SER   6  -0.256  -4.854  -3.953
   62    H    LYS   7           H        LYS   7  -0.521  -0.507  -2.215
   63    HA   LYS   7           HA       LYS   7   1.856   1.254  -2.478
   64    HB2  LYS   7          2HB       LYS   7  -0.731   1.549  -0.835
   65    HB3  LYS   7          1HB       LYS   7   0.444   2.811  -0.890
   66    HG2  LYS   7          2HG       LYS   7  -0.773   1.732  -3.514
   67    HG3  LYS   7          1HG       LYS   7  -1.559   2.987  -2.582
   68    HD2  LYS   7          2HD       LYS   7  -0.031   4.626  -2.914
   69    HD3  LYS   7          1HD       LYS   7   1.351   3.591  -3.112
   70    HE2  LYS   7          2HE       LYS   7  -0.893   3.398  -5.253
   71    HE3  LYS   7          1HE       LYS   7   0.031   4.888  -5.211
   72    HZ1  LYS   7          1HZ       LYS   7   1.183   3.161  -6.650
   73    HZ2  LYS   7          2HZ       LYS   7   2.143   3.553  -5.381
   74    HZ3  LYS   7          3HZ       LYS   7   1.325   2.139  -5.369
   75    H    PHE   8           H        PHE   8   0.624  -0.555   0.284
   76    HA   PHE   8           HA       PHE   8   2.558   0.522   2.267
   77    HB2  PHE   8          2HB       PHE   8   0.184  -0.874   2.572
   78    HB3  PHE   8          1HB       PHE   8   1.241  -2.244   2.551
   79    HD1  PHE   8           HD1      PHE   8   3.478  -1.965   4.131
   80    HD2  PHE   8           HD2      PHE   8  -0.218   0.155   4.650
   81    HE1  PHE   8           HE1      PHE   8   4.089  -1.457   6.469
   82    HE2  PHE   8           HE2      PHE   8   0.397   0.634   6.990
   83    HZ   PHE   8           HZ       PHE   8   2.575  -0.144   7.885
   84    H    LEU   9           H        LEU   9   2.351  -2.654   0.598
   85    HA   LEU   9           HA       LEU   9   5.026  -3.582   1.207
   86    HB2  LEU   9          2HB       LEU   9   2.829  -4.396  -0.648
   87    HB3  LEU   9          1HB       LEU   9   4.296  -4.470  -1.504
   88    HG   LEU   9           HG       LEU   9   4.858  -5.713   1.108
   89   HD11  LEU   9          1HD1      LEU   9   2.198  -5.923   0.990
   90   HD12  LEU   9          2HD1      LEU   9   2.529  -7.174  -0.231
   91   HD13  LEU   9          3HD1      LEU   9   3.186  -7.328   1.416
   92   HD21  LEU   9          1HD2      LEU   9   6.075  -6.239  -0.987
   93   HD22  LEU   9          2HD2      LEU   9   5.343  -7.711  -0.320
   94   HD23  LEU   9          3HD2      LEU   9   4.602  -6.907  -1.724
   95    H    GLY  10           H        GLY  10   4.077  -1.499  -1.469
   96    HA2  GLY  10          1HA       GLY  10   6.645  -1.263  -2.880
   97    HA3  GLY  10          2HA       GLY  10   5.420  -0.014  -2.833
   98    H    ARG  11           H        ARG  11   5.466   0.625  -0.126
   99    HA   ARG  11           HA       ARG  11   7.953   2.323   0.144
  100    HB2  ARG  11          2HB       ARG  11   5.523   1.841   1.992
  101    HB3  ARG  11          1HB       ARG  11   6.851   2.858   2.452
  102    HG2  ARG  11          2HG       ARG  11   5.638   3.496  -0.270
  103    HG3  ARG  11          1HG       ARG  11   4.567   3.731   1.067
  104    HD2  ARG  11          2HD       ARG  11   7.419   4.839   1.414
  105    HD3  ARG  11          1HD       ARG  11   6.484   5.579   0.115
  106    HE   ARG  11           HE       ARG  11   4.682   5.539   2.375
  107   HH11  ARG  11          1HH1      ARG  11   7.483   8.335   2.877
  108   HH12  ARG  11          2HH1      ARG  11   7.792   6.911   1.774
  109   HH21  ARG  11          1HH2      ARG  11   5.586   8.450   3.849
  110   HH22  ARG  11          2HH2      ARG  11   4.324   7.161   3.596
  111    H    ILE  12           H        ILE  12   6.615  -0.436   1.974
  112    HA   ILE  12           HA       ILE  12   8.957  -0.744   3.765
  113    HB   ILE  12           HB       ILE  12   6.877  -2.866   3.008
  114   HG12  ILE  12          2HG1      ILE  12   5.649  -0.945   3.876
  115   HG13  ILE  12          1HG1      ILE  12   5.572  -2.312   4.952
  116   HG21  ILE  12          1HG2      ILE  12   9.007  -2.775   5.197
  117   HG22  ILE  12          2HG2      ILE  12   7.487  -3.620   5.551
  118   HG23  ILE  12          3HG2      ILE  12   8.492  -4.130   4.179
  119   HD11  ILE  12          1HD1      ILE  12   5.885   0.024   6.070
  120   HD12  ILE  12          2HD1      ILE  12   7.064  -1.209   6.585
  121   HD13  ILE  12          3HD1      ILE  12   7.536   0.053   5.418
  122    H    LEU  13           H        LEU  13   8.271  -2.130   0.603
  123    HA   LEU  13           HA       LEU  13  10.413  -4.029   0.285
  124    HB2  LEU  13          2HB       LEU  13   8.798  -2.170  -1.527
  125    HB3  LEU  13          1HB       LEU  13  10.247  -2.752  -2.228
  126    HG   LEU  13           HG       LEU  13   8.239  -4.737  -1.020
  127   HD11  LEU  13          1HD1      LEU  13   6.785  -4.086  -2.677
  128   HD12  LEU  13          2HD1      LEU  13   7.985  -3.110  -3.542
  129   HD13  LEU  13          3HD1      LEU  13   7.881  -4.851  -3.835
  130   HD21  LEU  13          1HD2      LEU  13   9.429  -6.302  -2.649
  131   HD22  LEU  13          2HD2      LEU  13  10.534  -4.977  -3.092
  132   HD23  LEU  13          3HD2      LEU  13  10.537  -5.628  -1.438
  133    HN1  NH2  14          1HN       NH2  14  12.538  -0.554  -0.182
  134    HN2  NH2  14          2HN       NH2  14  10.714  -0.502  -0.418
  Start of MODEL   14
    1    H1   PHE   1          1H        PHE   1 -12.358   7.360   1.798
    2    H2   PHE   1          2H        PHE   1 -12.787   6.342   0.547
    3    H3   PHE   1          3H        PHE   1 -12.653   5.755   2.066
    4    HA   PHE   1           HA       PHE   1 -10.351   6.769   0.498
    5    HB2  PHE   1          2HB       PHE   1  -8.928   5.929   2.313
    6    HB3  PHE   1          1HB       PHE   1  -9.968   7.190   2.885
    7    HD1  PHE   1           HD1      PHE   1  -9.037   3.631   3.261
    8    HD2  PHE   1           HD2      PHE   1 -11.981   6.578   4.380
    9    HE1  PHE   1           HE1      PHE   1  -9.887   2.142   5.026
   10    HE2  PHE   1           HE2      PHE   1 -12.840   5.052   6.096
   11    HZ   PHE   1           HZ       PHE   1 -11.792   2.843   6.435
   12    H    VAL   2           H        VAL   2  -9.135   5.203  -0.596
   13    HA   VAL   2           HA       VAL   2 -10.524   2.589  -1.028
   14    HB   VAL   2           HB       VAL   2  -9.734   3.978  -2.961
   15   HG11  VAL   2          1HG1      VAL   2  -7.357   4.484  -1.971
   16   HG12  VAL   2          2HG1      VAL   2  -6.955   2.813  -2.371
   17   HG13  VAL   2          3HG1      VAL   2  -7.403   3.946  -3.671
   18   HG21  VAL   2          1HG2      VAL   2 -10.358   1.581  -3.256
   19   HG22  VAL   2          2HG2      VAL   2  -9.018   2.009  -4.330
   20   HG23  VAL   2          3HG2      VAL   2  -8.699   1.070  -2.858
   21    HA   PH6   3           HA       TCP   3  -7.504   0.492   1.827
   22    HB2  PH6   3          1HB       TCP   3  -9.112  -1.031   2.272
   23    HB3  PH6   3          2HB       TCP   3  -8.187  -2.115   1.266
   24    HG2  PH6   3           HG       TCP   3  -9.487  -1.758  -0.678
   25    HD2  PH6   3          1HD       TCP   3 -10.902   0.758   0.242
   26    HD3  PH6   3          2HD       TCP   3 -10.223   0.299  -1.323
   27    H1   PH6   3           H19      TCP   3 -12.941  -2.881   2.684
   28    H61  PH6   3           H20      TCP   3 -15.098  -2.280   1.505
   29    H62  PH6   3           H21      TCP   3 -14.396  -0.764   0.939
   30    H21  PH6   3           H17      TCP   3 -12.015  -0.109   1.768
   31    H22  PH6   3           H18      TCP   3 -13.542  -1.316   3.245
   32    H51  PH6   3           H11      TCP   3 -14.312  -2.502  -0.888
   33    H52  PH6   3           H12      TCP   3 -13.416  -3.603   0.160
   34    H41  PH6   3           H13      TCP   3 -11.838  -2.435  -1.381
   35    H42  PH6   3           H14      TCP   3 -12.453  -0.869  -0.873
   36    H31  PH6   3           H15      TCP   3 -10.962  -2.909   0.914
   37    H32  PH6   3           H16      TCP   3 -11.121  -1.216   2.788
   38    H    TRP   4           H        TRP   4  -5.822   1.351   0.591
   39    HA   TRP   4           HA       TRP   4  -4.614  -0.159  -1.645
   40    HB2  TRP   4          1HB       TRP   4  -3.686   2.193   0.094
   41    HB3  TRP   4          2HB       TRP   4  -2.573   1.411  -0.973
   42    HD1  TRP   4           HD1      TRP   4  -4.339   0.909  -3.652
   43    HE1  TRP   4           HE1      TRP   4  -4.957   2.929  -5.234
   44    HE3  TRP   4           HE3      TRP   4  -3.757   4.571  -0.141
   45    HZ2  TRP   4           HZ2      TRP   4  -5.000   5.750  -4.847
   46    HZ3  TRP   4           HZ3      TRP   4  -4.061   6.930  -0.817
   47    HH2  TRP   4           HH2      TRP   4  -4.690   7.515  -3.129
   48    H    PHE   5           H        PHE   5  -3.611  -1.908  -1.551
   49    HA   PHE   5           HA       PHE   5  -2.192  -2.923   0.950
   50    HB2  PHE   5          2HB       PHE   5  -2.897  -4.662  -1.476
   51    HB3  PHE   5          1HB       PHE   5  -2.545  -5.148   0.151
   52    HD1  PHE   5           HD1      PHE   5  -5.146  -4.554  -2.181
   53    HD2  PHE   5           HD2      PHE   5  -4.295  -4.187   2.020
   54    HE1  PHE   5           HE1      PHE   5  -7.550  -4.608  -1.686
   55    HE2  PHE   5           HE2      PHE   5  -6.708  -4.245   2.503
   56    HZ   PHE   5           HZ       PHE   5  -8.339  -4.486   0.652
   57    H    SER   6           H        SER   6  -1.658  -3.290  -2.555
   58    HA   SER   6           HA       SER   6   1.185  -3.837  -2.494
   59    HB2  SER   6          2HB       SER   6  -0.829  -3.365  -4.583
   60    HB3  SER   6          1HB       SER   6   0.494  -2.275  -4.922
   61    HG   SER   6           HG       SER   6   0.445  -4.865  -5.341
   62    H    LYS   7           H        LYS   7  -0.374  -0.700  -2.568
   63    HA   LYS   7           HA       LYS   7   1.992   1.044  -2.781
   64    HB2  LYS   7          2HB       LYS   7  -0.505   1.673  -1.109
   65    HB3  LYS   7          1HB       LYS   7   0.628   2.798  -1.776
   66    HG2  LYS   7          2HG       LYS   7  -0.300   1.464  -4.138
   67    HG3  LYS   7          1HG       LYS   7  -1.675   1.352  -3.092
   68    HD2  LYS   7          2HD       LYS   7  -2.015   3.355  -4.243
   69    HD3  LYS   7          1HD       LYS   7  -1.487   3.923  -2.677
   70    HE2  LYS   7          2HE       LYS   7   0.481   4.878  -3.484
   71    HE3  LYS   7          1HE       LYS   7   0.876   3.500  -4.504
   72    HZ1  LYS   7          1HZ       LYS   7   0.236   5.429  -5.952
   73    HZ2  LYS   7          2HZ       LYS   7  -0.890   4.246  -6.118
   74    HZ3  LYS   7          3HZ       LYS   7  -1.236   5.559  -5.212
   75    H    PHE   8           H        PHE   8   0.612  -0.555   0.017
   76    HA   PHE   8           HA       PHE   8   2.409   0.673   2.068
   77    HB2  PHE   8          2HB       PHE   8   0.200  -1.436   2.038
   78    HB3  PHE   8          1HB       PHE   8   1.517  -1.885   3.051
   79    HD1  PHE   8           HD1      PHE   8   2.482  -0.125   4.729
   80    HD2  PHE   8           HD2      PHE   8  -1.396   0.155   2.904
   81    HE1  PHE   8           HE1      PHE   8   1.741   1.370   6.537
   82    HE2  PHE   8           HE2      PHE   8  -2.142   1.640   4.719
   83    HZ   PHE   8           HZ       PHE   8  -0.575   2.255   6.544
   84    H    LEU   9           H        LEU   9   2.280  -2.559   0.538
   85    HA   LEU   9           HA       LEU   9   4.912  -3.384   1.447
   86    HB2  LEU   9          2HB       LEU   9   2.875  -4.470  -0.438
   87    HB3  LEU   9          1HB       LEU   9   4.440  -4.650  -1.138
   88    HG   LEU   9           HG       LEU   9   3.830  -6.639   0.071
   89   HD11  LEU   9          1HD1      LEU   9   6.199  -5.158   1.393
   90   HD12  LEU   9          2HD1      LEU   9   5.852  -6.869   1.674
   91   HD13  LEU   9          3HD1      LEU   9   6.231  -6.305   0.044
   92   HD21  LEU   9          1HD2      LEU   9   2.455  -5.201   1.917
   93   HD22  LEU   9          2HD2      LEU   9   3.110  -6.809   2.286
   94   HD23  LEU   9          3HD2      LEU   9   3.967  -5.350   2.836
   95    H    GLY  10           H        GLY  10   4.102  -1.676  -1.551
   96    HA2  GLY  10          1HA       GLY  10   6.718  -1.494  -2.809
   97    HA3  GLY  10          2HA       GLY  10   5.483  -0.258  -2.930
   98    H    ARG  11           H        ARG  11   5.442   0.586  -0.259
   99    HA   ARG  11           HA       ARG  11   7.906   2.323  -0.035
  100    HB2  ARG  11          2HB       ARG  11   5.284   1.988   1.555
  101    HB3  ARG  11          1HB       ARG  11   6.613   2.761   2.346
  102    HG2  ARG  11          2HG       ARG  11   5.923   3.752  -0.466
  103    HG3  ARG  11          1HG       ARG  11   4.831   4.143   0.839
  104    HD2  ARG  11          2HD       ARG  11   7.898   4.641   1.080
  105    HD3  ARG  11          1HD       ARG  11   6.896   5.822   0.287
  106    HE   ARG  11           HE       ARG  11   7.062   5.355   3.227
  107   HH11  ARG  11          1HH1      ARG  11   3.799   7.308   1.995
  108   HH12  ARG  11          2HH1      ARG  11   4.851   6.355   0.824
  109   HH21  ARG  11          1HH2      ARG  11   4.418   7.326   4.048
  110   HH22  ARG  11          2HH2      ARG  11   5.913   6.429   4.578
  111    H    ILE  12           H        ILE  12   6.583  -0.328   1.943
  112    HA   ILE  12           HA       ILE  12   8.899  -0.437   3.800
  113    HB   ILE  12           HB       ILE  12   6.930  -2.692   3.175
  114   HG12  ILE  12          2HG1      ILE  12   6.576  -0.512   5.324
  115   HG13  ILE  12          1HG1      ILE  12   5.631  -0.669   3.873
  116   HG21  ILE  12          1HG2      ILE  12   7.789  -2.752   5.984
  117   HG22  ILE  12          2HG2      ILE  12   8.143  -3.913   4.690
  118   HG23  ILE  12          3HG2      ILE  12   9.245  -2.572   5.018
  119   HD11  ILE  12          1HD1      ILE  12   5.199  -2.060   6.403
  120   HD12  ILE  12          2HD1      ILE  12   4.130  -1.984   4.978
  121   HD13  ILE  12          3HD1      ILE  12   5.356  -3.260   5.106
  122    H    LEU  13           H        LEU  13   8.281  -1.994   0.686
  123    HA   LEU  13           HA       LEU  13  10.668  -3.758   0.676
  124    HB2  LEU  13          2HB       LEU  13   8.718  -2.696  -1.464
  125    HB3  LEU  13          1HB       LEU  13  10.087  -3.651  -1.933
  126    HG   LEU  13           HG       LEU  13   8.032  -4.671   0.092
  127   HD11  LEU  13          1HD1      LEU  13   7.249  -6.100  -1.995
  128   HD12  LEU  13          2HD1      LEU  13   6.747  -4.405  -1.922
  129   HD13  LEU  13          3HD1      LEU  13   8.085  -4.885  -2.984
  130   HD21  LEU  13          1HD2      LEU  13  10.610  -5.715  -0.475
  131   HD22  LEU  13          2HD2      LEU  13   9.258  -6.596   0.247
  132   HD23  LEU  13          3HD2      LEU  13   9.566  -6.701  -1.500
  133    HN1  NH2  14          1HN       NH2  14  12.891  -0.877   0.262
  134    HN2  NH2  14          2HN       NH2  14  11.964  -1.799   1.551
  Start of MODEL   15
    1    H1   PHE   1          1H        PHE   1 -11.438   7.739   1.619
    2    H2   PHE   1          2H        PHE   1 -11.925   6.967   0.223
    3    H3   PHE   1          3H        PHE   1 -11.945   6.167   1.643
    4    HA   PHE   1           HA       PHE   1  -9.460   7.067   0.296
    5    HB2  PHE   1          2HB       PHE   1  -8.250   5.759   2.031
    6    HB3  PHE   1          1HB       PHE   1  -9.079   7.122   2.705
    7    HD1  PHE   1           HD1      PHE   1 -11.109   6.772   4.169
    8    HD2  PHE   1           HD2      PHE   1  -8.938   3.388   2.606
    9    HE1  PHE   1           HE1      PHE   1 -12.314   5.279   5.697
   10    HE2  PHE   1           HE2      PHE   1 -10.134   1.919   4.179
   11    HZ   PHE   1           HZ       PHE   1 -11.825   2.859   5.716
   12    H    VAL   2           H        VAL   2  -8.190   5.373  -0.661
   13    HA   VAL   2           HA       VAL   2  -9.886   3.096  -1.654
   14    HB   VAL   2           HB       VAL   2  -8.737   4.602  -3.288
   15   HG11  VAL   2          1HG1      VAL   2  -6.418   4.631  -2.042
   16   HG12  VAL   2          2HG1      VAL   2  -6.188   2.998  -2.682
   17   HG13  VAL   2          3HG1      VAL   2  -6.376   4.367  -3.803
   18   HG21  VAL   2          1HG2      VAL   2  -9.630   2.352  -3.939
   19   HG22  VAL   2          2HG2      VAL   2  -8.189   2.776  -4.872
   20   HG23  VAL   2          3HG2      VAL   2  -8.064   1.602  -3.545
   21    HA   PH6   3           HA       TCP   3  -7.446   0.225   1.109
   22    HB2  PH6   3          1HB       TCP   3  -9.284  -1.113   1.210
   23    HB3  PH6   3          2HB       TCP   3  -8.422  -2.170   0.106
   24    HG2  PH6   3           HG       TCP   3  -9.483  -1.355  -1.831
   25    HD2  PH6   3          1HD       TCP   3 -10.637   1.197  -0.692
   26    HD3  PH6   3          2HD       TCP   3  -9.845   0.848  -2.232
   27    H1   PH6   3           H19      TCP   3 -11.236  -2.474  -0.525
   28    H61  PH6   3           H20      TCP   3 -11.343  -1.025   1.548
   29    H62  PH6   3           H21      TCP   3 -11.981   0.319   0.626
   30    H21  PH6   3           H17      TCP   3 -11.815  -1.589  -2.792
   31    H22  PH6   3           H18      TCP   3 -12.262  -0.028  -2.121
   32    H51  PH6   3           H11      TCP   3 -13.791  -0.832   1.800
   33    H52  PH6   3           H12      TCP   3 -13.351  -2.383   1.075
   34    H41  PH6   3           H13      TCP   3 -15.286  -1.334  -0.174
   35    H42  PH6   3           H14      TCP   3 -14.338   0.125  -0.467
   36    H31  PH6   3           H15      TCP   3 -14.311  -1.361  -2.506
   37    H32  PH6   3           H16      TCP   3 -13.673  -2.703  -1.554
   38    H    TRP   4           H        TRP   4  -5.645   1.151  -0.090
   39    HA   TRP   4           HA       TRP   4  -4.440  -0.280  -2.351
   40    HB2  TRP   4          1HB       TRP   4  -3.309   1.646  -0.272
   41    HB3  TRP   4          2HB       TRP   4  -2.236   0.822  -1.401
   42    HD1  TRP   4           HD1      TRP   4  -3.665   0.974  -4.172
   43    HE1  TRP   4           HE1      TRP   4  -3.811   3.252  -5.506
   44    HE3  TRP   4           HE3      TRP   4  -3.243   4.046  -0.134
   45    HZ2  TRP   4           HZ2      TRP   4  -3.650   5.975  -4.720
   46    HZ3  TRP   4           HZ3      TRP   4  -3.136   6.502  -0.485
   47    HH2  TRP   4           HH2      TRP   4  -3.378   7.451  -2.745
   48    H    PHE   5           H        PHE   5  -4.258  -2.368  -2.193
   49    HA   PHE   5           HA       PHE   5  -3.311  -3.944   0.067
   50    HB2  PHE   5          2HB       PHE   5  -3.206  -4.664  -2.937
   51    HB3  PHE   5          1HB       PHE   5  -2.997  -5.795  -1.631
   52    HD1  PHE   5           HD1      PHE   5  -5.433  -4.377  -3.812
   53    HD2  PHE   5           HD2      PHE   5  -4.976  -5.903   0.184
   54    HE1  PHE   5           HE1      PHE   5  -7.853  -4.793  -3.687
   55    HE2  PHE   5           HE2      PHE   5  -7.401  -6.306   0.299
   56    HZ   PHE   5           HZ       PHE   5  -8.844  -5.761  -1.637
   57    H    SER   6           H        SER   6  -1.518  -2.752  -2.710
   58    HA   SER   6           HA       SER   6   1.191  -3.529  -1.529
   59    HB2  SER   6          2HB       SER   6   0.423  -2.190  -4.208
   60    HB3  SER   6          1HB       SER   6   2.060  -2.615  -3.712
   61    HG   SER   6           HG       SER   6   0.414  -4.204  -4.927
   62    H    LYS   7           H        LYS   7  -0.483  -1.561  -0.128
   63    HA   LYS   7           HA       LYS   7   1.009   1.061  -0.432
   64    HB2  LYS   7          2HB       LYS   7  -1.565   0.443   0.596
   65    HB3  LYS   7          1HB       LYS   7  -0.705   0.620   2.038
   66    HG2  LYS   7          2HG       LYS   7   0.216   2.934   0.778
   67    HG3  LYS   7          1HG       LYS   7  -1.191   2.658  -0.201
   68    HD2  LYS   7          2HD       LYS   7  -1.882   4.117   1.567
   69    HD3  LYS   7          1HD       LYS   7  -2.643   2.575   1.938
   70    HE2  LYS   7          2HE       LYS   7  -1.251   2.112   3.820
   71    HE3  LYS   7          1HE       LYS   7   0.139   2.966   3.170
   72    HZ1  LYS   7          1HZ       LYS   7  -0.917   4.332   4.973
   73    HZ2  LYS   7          2HZ       LYS   7  -1.098   5.129   3.536
   74    HZ3  LYS   7          3HZ       LYS   7  -2.365   4.334   4.196
   75    H    PHE   8           H        PHE   8   0.736  -1.401   2.069
   76    HA   PHE   8           HA       PHE   8   2.964  -0.354   3.787
   77    HB2  PHE   8          2HB       PHE   8   0.878  -2.551   3.975
   78    HB3  PHE   8          1HB       PHE   8   2.433  -3.162   4.379
   79    HD1  PHE   8           HD1      PHE   8  -0.120  -0.653   5.342
   80    HD2  PHE   8           HD2      PHE   8   3.701  -2.352   6.323
   81    HE1  PHE   8           HE1      PHE   8  -0.223   0.387   7.585
   82    HE2  PHE   8           HE2      PHE   8   3.596  -1.311   8.548
   83    HZ   PHE   8           HZ       PHE   8   1.635   0.054   9.189
   84    H    LEU   9           H        LEU   9   2.599  -2.986   1.446
   85    HA   LEU   9           HA       LEU   9   5.499  -3.703   1.507
   86    HB2  LEU   9          2HB       LEU   9   3.042  -4.664  -0.024
   87    HB3  LEU   9          1HB       LEU   9   4.518  -4.667  -0.937
   88    HG   LEU   9           HG       LEU   9   5.683  -5.949   0.960
   89   HD11  LEU   9          1HD1      LEU   9   4.044  -5.480   2.826
   90   HD12  LEU   9          2HD1      LEU   9   2.755  -6.322   1.934
   91   HD13  LEU   9          3HD1      LEU   9   4.167  -7.224   2.539
   92   HD21  LEU   9          1HD2      LEU   9   3.296  -7.406  -0.348
   93   HD22  LEU   9          2HD2      LEU   9   4.769  -6.936  -1.230
   94   HD23  LEU   9          3HD2      LEU   9   4.883  -8.078   0.115
   95    H    GLY  10           H        GLY  10   3.540  -1.610  -0.654
   96    HA2  GLY  10          1HA       GLY  10   5.596  -1.006  -2.648
   97    HA3  GLY  10          2HA       GLY  10   4.278   0.059  -2.249
   98    H    ARG  11           H        ARG  11   5.002   0.600   0.412
   99    HA   ARG  11           HA       ARG  11   7.200   2.651   0.139
  100    HB2  ARG  11          2HB       ARG  11   5.363   1.674   2.416
  101    HB3  ARG  11          1HB       ARG  11   6.772   2.582   2.828
  102    HG2  ARG  11          2HG       ARG  11   5.178   3.861   0.576
  103    HG3  ARG  11          1HG       ARG  11   4.285   3.646   2.059
  104    HD2  ARG  11          2HD       ARG  11   6.448   4.762   3.274
  105    HD3  ARG  11          1HD       ARG  11   6.986   5.143   1.658
  106    HE   ARG  11           HE       ARG  11   5.320   6.883   1.523
  107   HH11  ARG  11          1HH1      ARG  11   3.200   5.851   4.766
  108   HH12  ARG  11          2HH1      ARG  11   4.519   4.762   4.104
  109   HH21  ARG  11          1HH2      ARG  11   2.815   7.685   3.674
  110   HH22  ARG  11          2HH2      ARG  11   3.824   8.102   2.213
  111    H    ILE  12           H        ILE  12   6.941  -0.335   2.112
  112    HA   ILE  12           HA       ILE  12   9.760  -0.281   3.001
  113    HB   ILE  12           HB       ILE  12   7.900  -2.713   2.844
  114   HG12  ILE  12          2HG1      ILE  12   8.234  -0.803   5.259
  115   HG13  ILE  12          1HG1      ILE  12   6.842  -0.859   4.216
  116   HG21  ILE  12          1HG2      ILE  12   9.381  -3.641   4.714
  117   HG22  ILE  12          2HG2      ILE  12  10.299  -3.350   3.241
  118   HG23  ILE  12          3HG2      ILE  12  10.422  -2.199   4.585
  119   HD11  ILE  12          1HD1      ILE  12   6.806  -3.516   4.892
  120   HD12  ILE  12          2HD1      ILE  12   7.610  -2.857   6.336
  121   HD13  ILE  12          3HD1      ILE  12   5.999  -2.262   5.859
  122    H    LEU  13           H        LEU  13   8.238  -1.708   0.153
  123    HA   LEU  13           HA       LEU  13  10.318  -3.279  -1.031
  124    HB2  LEU  13          2HB       LEU  13   7.987  -1.580  -2.009
  125    HB3  LEU  13          1HB       LEU  13   9.179  -1.827  -3.202
  126    HG   LEU  13           HG       LEU  13   7.980  -4.226  -1.707
  127   HD11  LEU  13          1HD1      LEU  13   6.913  -2.677  -4.143
  128   HD12  LEU  13          2HD1      LEU  13   6.573  -4.413  -3.941
  129   HD13  LEU  13          3HD1      LEU  13   6.048  -3.273  -2.708
  130   HD21  LEU  13          1HD2      LEU  13   8.774  -4.939  -4.380
  131   HD22  LEU  13          2HD2      LEU  13  10.072  -3.874  -3.834
  132   HD23  LEU  13          3HD2      LEU  13   9.649  -5.303  -2.882
  133    HN1  NH2  14          1HN       NH2  14  11.859   0.428  -1.839
  134    HN2  NH2  14          2HN       NH2  14  10.066   0.294  -1.455
  Start of MODEL   16
    1    H1   PHE   1          1H        PHE   1 -12.897   7.348   1.198
    2    H2   PHE   1          2H        PHE   1 -12.565   7.074  -0.417
    3    H3   PHE   1          3H        PHE   1 -13.368   5.950   0.451
    4    HA   PHE   1           HA       PHE   1 -10.535   6.672   0.933
    5    HB2  PHE   1          2HB       PHE   1 -10.483   4.797   2.528
    6    HB3  PHE   1          1HB       PHE   1 -11.584   6.022   3.059
    7    HD1  PHE   1           HD1      PHE   1 -14.119   5.603   2.865
    8    HD2  PHE   1           HD2      PHE   1 -11.262   2.483   2.025
    9    HE1  PHE   1           HE1      PHE   1 -15.909   3.929   2.937
   10    HE2  PHE   1           HE2      PHE   1 -13.070   0.819   2.156
   11    HZ   PHE   1           HZ       PHE   1 -15.392   1.538   2.601
   12    H    VAL   2           H        VAL   2  -9.001   5.099   0.211
   13    HA   VAL   2           HA       VAL   2 -10.036   3.342  -2.030
   14    HB   VAL   2           HB       VAL   2  -8.536   5.230  -2.724
   15   HG11  VAL   2          1HG1      VAL   2  -6.196   3.526  -1.687
   16   HG12  VAL   2          2HG1      VAL   2  -6.139   5.161  -2.393
   17   HG13  VAL   2          3HG1      VAL   2  -6.800   4.903  -0.760
   18   HG21  VAL   2          1HG2      VAL   2  -7.305   3.862  -4.402
   19   HG22  VAL   2          2HG2      VAL   2  -7.582   2.386  -3.448
   20   HG23  VAL   2          3HG2      VAL   2  -8.951   3.249  -4.187
   21    HA   PH6   3           HA       TCP   3  -8.432  -0.125   0.656
   22    HB2  PH6   3          1HB       TCP   3 -10.156  -1.361  -0.289
   23    HB3  PH6   3          2HB       TCP   3  -8.814  -2.159  -1.111
   24    HG2  PH6   3           HG       TCP   3  -9.056  -0.826  -3.117
   25    HD2  PH6   3          1HD       TCP   3 -10.982   1.124  -1.761
   26    HD3  PH6   3          2HD       TCP   3  -9.742   1.384  -3.021
   27    H1   PH6   3           H19      TCP   3 -12.283  -3.011  -5.520
   28    H61  PH6   3           H20      TCP   3 -13.429  -0.774  -5.478
   29    H62  PH6   3           H21      TCP   3 -13.828  -0.973  -3.771
   30    H21  PH6   3           H17      TCP   3 -13.148  -3.273  -2.556
   31    H22  PH6   3           H18      TCP   3 -13.942  -3.198  -4.948
   32    H51  PH6   3           H11      TCP   3 -11.822   0.470  -4.024
   33    H52  PH6   3           H12      TCP   3 -10.973  -0.762  -4.952
   34    H41  PH6   3           H13      TCP   3 -11.924  -1.082  -2.020
   35    H42  PH6   3           H14      TCP   3 -10.715  -3.290  -2.051
   36    H31  PH6   3           H15      TCP   3 -10.296  -3.061  -3.747
   37    H32  PH6   3           H16      TCP   3 -12.332  -4.517  -3.504
   38    H    TRP   4           H        TRP   4  -6.418   1.030   0.500
   39    HA   TRP   4           HA       TRP   4  -4.374   0.316  -1.484
   40    HB2  TRP   4          1HB       TRP   4  -4.321   1.653   1.271
   41    HB3  TRP   4          2HB       TRP   4  -2.838   1.091   0.620
   42    HD1  TRP   4           HD1      TRP   4  -3.183   1.955  -2.566
   43    HE1  TRP   4           HE1      TRP   4  -3.136   4.487  -3.290
   44    HE3  TRP   4           HE3      TRP   4  -4.262   3.901   2.030
   45    HZ2  TRP   4           HZ2      TRP   4  -3.455   6.926  -1.876
   46    HZ3  TRP   4           HZ3      TRP   4  -4.386   6.358   2.285
   47    HH2  TRP   4           HH2      TRP   4  -4.007   7.851   0.359
   48    H    PHE   5           H        PHE   5  -3.664  -1.577  -1.800
   49    HA   PHE   5           HA       PHE   5  -3.134  -3.589   0.445
   50    HB2  PHE   5          2HB       PHE   5  -3.254  -4.066  -2.599
   51    HB3  PHE   5          1HB       PHE   5  -3.099  -5.288  -1.370
   52    HD1  PHE   5           HD1      PHE   5  -5.453  -3.629  -3.423
   53    HD2  PHE   5           HD2      PHE   5  -5.047  -5.233   0.548
   54    HE1  PHE   5           HE1      PHE   5  -7.892  -3.846  -3.256
   55    HE2  PHE   5           HE2      PHE   5  -7.495  -5.431   0.709
   56    HZ   PHE   5           HZ       PHE   5  -8.921  -4.764  -1.199
   57    H    SER   6           H        SER   6  -1.490  -2.445  -2.508
   58    HA   SER   6           HA       SER   6   1.236  -3.307  -1.491
   59    HB2  SER   6          2HB       SER   6   1.993  -2.676  -3.723
   60    HB3  SER   6          1HB       SER   6   0.567  -3.689  -3.887
   61    HG   SER   6           HG       SER   6   0.929  -1.257  -4.854
   62    H    LYS   7           H        LYS   7  -0.225  -1.198  -0.051
   63    HA   LYS   7           HA       LYS   7   1.450   1.305  -0.477
   64    HB2  LYS   7          2HB       LYS   7  -0.890   1.578   0.102
   65    HB3  LYS   7          1HB       LYS   7  -0.738   0.624   1.580
   66    HG2  LYS   7          2HG       LYS   7  -0.843   2.966   2.168
   67    HG3  LYS   7          1HG       LYS   7   0.761   2.390   2.587
   68    HD2  LYS   7          2HD       LYS   7   1.830   3.460   0.675
   69    HD3  LYS   7          1HD       LYS   7   0.338   3.604  -0.208
   70    HE2  LYS   7          2HE       LYS   7   0.178   5.761   0.434
   71    HE3  LYS   7          1HE       LYS   7  -0.402   5.174   1.976
   72    HZ1  LYS   7          1HZ       LYS   7   1.590   6.627   2.337
   73    HZ2  LYS   7          2HZ       LYS   7   1.993   5.091   2.776
   74    HZ3  LYS   7          3HZ       LYS   7   2.510   5.676   1.338
   75    H    PHE   8           H        PHE   8   1.040  -1.049   2.138
   76    HA   PHE   8           HA       PHE   8   3.419  -0.128   3.716
   77    HB2  PHE   8          2HB       PHE   8   1.292  -2.338   3.949
   78    HB3  PHE   8          1HB       PHE   8   2.834  -2.697   4.630
   79    HD1  PHE   8           HD1      PHE   8   0.777   0.539   4.558
   80    HD2  PHE   8           HD2      PHE   8   2.823  -2.412   6.929
   81    HE1  PHE   8           HE1      PHE   8   0.309   1.838   6.594
   82    HE2  PHE   8           HE2      PHE   8   2.319  -1.124   8.954
   83    HZ   PHE   8           HZ       PHE   8   1.070   1.006   8.796
   84    H    LEU   9           H        LEU   9   2.796  -2.820   1.519
   85    HA   LEU   9           HA       LEU   9   5.633  -3.752   1.501
   86    HB2  LEU   9          2HB       LEU   9   3.054  -4.540   0.073
   87    HB3  LEU   9          1HB       LEU   9   4.493  -4.678  -0.890
   88    HG   LEU   9           HG       LEU   9   5.611  -6.010   0.996
   89   HD11  LEU   9          1HD1      LEU   9   2.713  -6.042   2.096
   90   HD12  LEU   9          2HD1      LEU   9   3.998  -7.160   2.616
   91   HD13  LEU   9          3HD1      LEU   9   4.162  -5.423   2.924
   92   HD21  LEU   9          1HD2      LEU   9   3.351  -7.788   0.221
   93   HD22  LEU   9          2HD2      LEU   9   3.912  -6.828  -1.155
   94   HD23  LEU   9          3HD2      LEU   9   5.061  -7.815  -0.253
   95    H    GLY  10           H        GLY  10   3.782  -1.546  -0.634
   96    HA2  GLY  10          1HA       GLY  10   5.835  -1.162  -2.696
   97    HA3  GLY  10          2HA       GLY  10   4.604   0.009  -2.309
   98    H    ARG  11           H        ARG  11   5.445   0.508   0.360
   99    HA   ARG  11           HA       ARG  11   7.766   2.402  -0.022
  100    HB2  ARG  11          2HB       ARG  11   6.026   1.618   2.411
  101    HB3  ARG  11          1HB       ARG  11   7.454   2.594   2.624
  102    HG2  ARG  11          2HG       ARG  11   5.150   3.355   0.749
  103    HG3  ARG  11          1HG       ARG  11   5.305   3.905   2.414
  104    HD2  ARG  11          2HD       ARG  11   6.750   5.640   1.798
  105    HD3  ARG  11          1HD       ARG  11   7.901   4.495   1.213
  106    HE   ARG  11           HE       ARG  11   7.313   4.972  -1.043
  107   HH11  ARG  11          1HH1      ARG  11   3.873   6.838  -0.412
  108   HH12  ARG  11          2HH1      ARG  11   4.827   5.998   0.951
  109   HH21  ARG  11          1HH2      ARG  11   4.681   6.663  -2.377
  110   HH22  ARG  11          2HH2      ARG  11   6.302   5.874  -2.609
  111    H    ILE  12           H        ILE  12   7.323  -0.482   2.056
  112    HA   ILE  12           HA       ILE  12  10.158  -0.632   2.854
  113    HB   ILE  12           HB       ILE  12   8.108  -2.902   2.825
  114   HG12  ILE  12          2HG1      ILE  12   8.641  -0.980   5.180
  115   HG13  ILE  12          1HG1      ILE  12   7.233  -0.930   4.153
  116   HG21  ILE  12          1HG2      ILE  12  10.958  -2.803   3.722
  117   HG22  ILE  12          2HG2      ILE  12   9.924  -3.273   5.059
  118   HG23  ILE  12          3HG2      ILE  12   9.873  -4.186   3.539
  119   HD11  ILE  12          1HD1      ILE  12   6.692  -3.387   4.815
  120   HD12  ILE  12          2HD1      ILE  12   7.921  -3.201   6.089
  121   HD13  ILE  12          3HD1      ILE  12   6.489  -2.149   6.081
  122    H    LEU  13           H        LEU  13   8.462  -2.016   0.075
  123    HA   LEU  13           HA       LEU  13  10.412  -3.759  -1.072
  124    HB2  LEU  13          2HB       LEU  13   8.238  -1.901  -2.133
  125    HB3  LEU  13          1HB       LEU  13   9.401  -2.338  -3.315
  126    HG   LEU  13           HG       LEU  13   7.887  -4.458  -1.693
  127   HD11  LEU  13          1HD1      LEU  13   7.008  -4.386  -4.483
  128   HD12  LEU  13          2HD1      LEU  13   6.064  -4.036  -3.024
  129   HD13  LEU  13          3HD1      LEU  13   6.902  -2.734  -3.888
  130   HD21  LEU  13          1HD2      LEU  13   9.554  -4.639  -4.305
  131   HD22  LEU  13          2HD2      LEU  13  10.089  -5.220  -2.718
  132   HD23  LEU  13          3HD2      LEU  13   8.710  -5.995  -3.512
  133    HN1  NH2  14          1HN       NH2  14  12.257  -0.232  -1.939
  134    HN2  NH2  14          2HN       NH2  14  10.488  -0.198  -1.449
  Start of MODEL   17
    1    H1   PHE   1          1H        PHE   1 -12.926   6.824   1.711
    2    H2   PHE   1          2H        PHE   1 -13.115   6.261   0.152
    3    H3   PHE   1          3H        PHE   1 -13.097   5.209   1.397
    4    HA   PHE   1           HA       PHE   1 -10.745   6.817   0.563
    5    HB2  PHE   1          2HB       PHE   1  -9.461   5.524   2.210
    6    HB3  PHE   1          1HB       PHE   1 -10.717   6.408   3.005
    7    HD1  PHE   1           HD1      PHE   1  -9.576   2.983   1.985
    8    HD2  PHE   1           HD2      PHE   1 -12.564   5.183   4.171
    9    HE1  PHE   1           HE1      PHE   1 -10.421   0.891   2.946
   10    HE2  PHE   1           HE2      PHE   1 -13.389   3.077   5.131
   11    HZ   PHE   1           HZ       PHE   1 -12.325   0.931   4.523
   12    H    VAL   2           H        VAL   2  -8.943   5.446  -0.271
   13    HA   VAL   2           HA       VAL   2 -10.019   3.388  -2.163
   14    HB   VAL   2           HB       VAL   2  -8.508   5.226  -2.972
   15   HG11  VAL   2          1HG1      VAL   2  -6.736   4.971  -1.037
   16   HG12  VAL   2          2HG1      VAL   2  -6.182   3.527  -1.889
   17   HG13  VAL   2          3HG1      VAL   2  -6.097   5.114  -2.694
   18   HG21  VAL   2          1HG2      VAL   2  -7.284   3.740  -4.589
   19   HG22  VAL   2          2HG2      VAL   2  -7.643   2.326  -3.581
   20   HG23  VAL   2          3HG2      VAL   2  -8.964   3.224  -4.367
   21    HA   PH6   3           HA       TCP   3  -8.381   0.007   0.612
   22    HB2  PH6   3          1HB       TCP   3 -10.031  -1.335  -0.173
   23    HB3  PH6   3          2HB       TCP   3  -8.780  -2.112  -1.120
   24    HG2  PH6   3           HG       TCP   3  -9.219  -0.911  -3.092
   25    HD2  PH6   3          1HD       TCP   3 -10.887   1.309  -1.881
   26    HD3  PH6   3          2HD       TCP   3  -9.641   1.325  -3.134
   27    H1   PH6   3           H19      TCP   3 -13.718  -2.605  -1.917
   28    H61  PH6   3           H20      TCP   3 -15.230  -1.321  -3.490
   29    H62  PH6   3           H21      TCP   3 -14.360   0.175  -3.144
   30    H21  PH6   3           H17      TCP   3 -12.506   0.142  -1.315
   31    H22  PH6   3           H18      TCP   3 -14.494  -1.257  -1.074
   32    H51  PH6   3           H11      TCP   3 -13.558  -0.820  -5.319
   33    H52  PH6   3           H12      TCP   3 -13.151  -2.335  -4.509
   34    H41  PH6   3           H13      TCP   3 -11.092  -0.956  -4.801
   35    H42  PH6   3           H14      TCP   3 -11.859   0.413  -4.010
   36    H31  PH6   3           H15      TCP   3 -11.198  -2.315  -2.704
   37    H32  PH6   3           H16      TCP   3 -12.088  -1.367  -0.534
   38    H    TRP   4           H        TRP   4  -6.374   1.128   0.369
   39    HA   TRP   4           HA       TRP   4  -4.368   0.294  -1.594
   40    HB2  TRP   4          1HB       TRP   4  -4.258   1.757   1.094
   41    HB3  TRP   4          2HB       TRP   4  -2.796   1.149   0.436
   42    HD1  TRP   4           HD1      TRP   4  -3.206   1.865  -2.780
   43    HE1  TRP   4           HE1      TRP   4  -3.138   4.360  -3.622
   44    HE3  TRP   4           HE3      TRP   4  -4.150   4.034   1.745
   45    HZ2  TRP   4           HZ2      TRP   4  -3.402   6.864  -2.315
   46    HZ3  TRP   4           HZ3      TRP   4  -4.239   6.501   1.889
   47    HH2  TRP   4           HH2      TRP   4  -3.889   7.899  -0.112
   48    H    PHE   5           H        PHE   5  -3.688  -1.607  -1.827
   49    HA   PHE   5           HA       PHE   5  -3.146  -3.526   0.495
   50    HB2  PHE   5          2HB       PHE   5  -3.277  -4.119  -2.528
   51    HB3  PHE   5          1HB       PHE   5  -3.141  -5.298  -1.251
   52    HD1  PHE   5           HD1      PHE   5  -5.139  -4.743   0.754
   53    HD2  PHE   5           HD2      PHE   5  -5.434  -4.129  -3.496
   54    HE1  PHE   5           HE1      PHE   5  -7.583  -4.906   0.893
   55    HE2  PHE   5           HE2      PHE   5  -7.878  -4.316  -3.344
   56    HZ   PHE   5           HZ       PHE   5  -8.960  -4.720  -1.155
   57    H    SER   6           H        SER   6  -1.522  -2.469  -2.484
   58    HA   SER   6           HA       SER   6   1.194  -3.365  -1.437
   59    HB2  SER   6          2HB       SER   6   0.679  -1.942  -4.110
   60    HB3  SER   6          1HB       SER   6   2.015  -2.985  -3.648
   61    HG   SER   6           HG       SER   6  -0.040  -4.539  -3.359
   62    H    LYS   7           H        LYS   7  -0.240  -1.172  -0.098
   63    HA   LYS   7           HA       LYS   7   1.465   1.286  -0.631
   64    HB2  LYS   7          2HB       LYS   7  -0.861   1.669  -0.103
   65    HB3  LYS   7          1HB       LYS   7  -0.774   0.749   1.407
   66    HG2  LYS   7          2HG       LYS   7  -0.820   3.139   1.923
   67    HG3  LYS   7          1HG       LYS   7   0.729   2.471   2.421
   68    HD2  LYS   7          2HD       LYS   7   1.825   3.302   0.301
   69    HD3  LYS   7          1HD       LYS   7   0.265   3.895  -0.293
   70    HE2  LYS   7          2HE       LYS   7   0.148   5.459   1.766
   71    HE3  LYS   7          1HE       LYS   7   1.740   4.864   2.278
   72    HZ1  LYS   7          1HZ       LYS   7   1.941   6.919   0.792
   73    HZ2  LYS   7          2HZ       LYS   7   2.645   5.613   0.039
   74    HZ3  LYS   7          3HZ       LYS   7   1.173   6.130  -0.425
   75    H    PHE   8           H        PHE   8   0.980  -0.931   2.093
   76    HA   PHE   8           HA       PHE   8   3.331   0.053   3.645
   77    HB2  PHE   8          2HB       PHE   8   1.029  -1.767   4.138
   78    HB3  PHE   8          1HB       PHE   8   2.455  -2.705   4.365
   79    HD1  PHE   8           HD1      PHE   8   3.698  -2.480   6.416
   80    HD2  PHE   8           HD2      PHE   8   0.949   0.626   5.285
   81    HE1  PHE   8           HE1      PHE   8   3.992  -1.415   8.613
   82    HE2  PHE   8           HE2      PHE   8   1.262   1.696   7.486
   83    HZ   PHE   8           HZ       PHE   8   2.775   0.671   9.156
   84    H    LEU   9           H        LEU   9   2.741  -2.717   1.556
   85    HA   LEU   9           HA       LEU   9   5.564  -3.680   1.624
   86    HB2  LEU   9          2HB       LEU   9   2.991  -4.524   0.220
   87    HB3  LEU   9          1HB       LEU   9   4.421  -4.685  -0.752
   88    HG   LEU   9           HG       LEU   9   5.571  -5.921   1.177
   89   HD11  LEU   9          1HD1      LEU   9   4.280  -6.829   3.008
   90   HD12  LEU   9          2HD1      LEU   9   3.752  -5.145   2.951
   91   HD13  LEU   9          3HD1      LEU   9   2.716  -6.409   2.267
   92   HD21  LEU   9          1HD2      LEU   9   4.885  -7.959   0.277
   93   HD22  LEU   9          2HD2      LEU   9   3.154  -7.548   0.250
   94   HD23  LEU   9          3HD2      LEU   9   4.251  -6.896  -0.979
   95    H    GLY  10           H        GLY  10   3.777  -1.556  -0.640
   96    HA2  GLY  10          1HA       GLY  10   5.864  -1.280  -2.691
   97    HA3  GLY  10          2HA       GLY  10   4.636  -0.085  -2.366
   98    H    ARG  11           H        ARG  11   5.429   0.530   0.284
   99    HA   ARG  11           HA       ARG  11   7.784   2.359  -0.147
  100    HB2  ARG  11          2HB       ARG  11   5.939   1.738   2.258
  101    HB3  ARG  11          1HB       ARG  11   7.400   2.639   2.511
  102    HG2  ARG  11          2HG       ARG  11   5.203   3.530   0.543
  103    HG3  ARG  11          1HG       ARG  11   5.383   4.082   2.219
  104    HD2  ARG  11          2HD       ARG  11   7.907   4.697   1.502
  105    HD3  ARG  11          1HD       ARG  11   7.324   4.509  -0.159
  106    HE   ARG  11           HE       ARG  11   5.602   6.347   1.469
  107   HH11  ARG  11          1HH1      ARG  11   8.700   8.061  -0.373
  108   HH12  ARG  11          2HH1      ARG  11   8.660   6.250  -0.160
  109   HH21  ARG  11          1HH2      ARG  11   7.053   9.192   0.345
  110   HH22  ARG  11          2HH2      ARG  11   5.646   8.397   1.182
  111    H    ILE  12           H        ILE  12   7.293  -0.420   2.047
  112    HA   ILE  12           HA       ILE  12  10.117  -0.560   2.896
  113    HB   ILE  12           HB       ILE  12   8.052  -2.826   2.899
  114   HG12  ILE  12          2HG1      ILE  12   8.574  -0.806   5.186
  115   HG13  ILE  12          1HG1      ILE  12   7.174  -0.800   4.157
  116   HG21  ILE  12          1HG2      ILE  12   9.462  -3.766   4.812
  117   HG22  ILE  12          2HG2      ILE  12  10.398  -3.637   3.328
  118   HG23  ILE  12          3HG2      ILE  12  10.617  -2.425   4.606
  119   HD11  ILE  12          1HD1      ILE  12   7.034  -3.450   5.061
  120   HD12  ILE  12          2HD1      ILE  12   7.705  -2.595   6.469
  121   HD13  ILE  12          3HD1      ILE  12   6.152  -2.077   5.760
  122    H    LEU  13           H        LEU  13   8.446  -2.030   0.147
  123    HA   LEU  13           HA       LEU  13  10.380  -3.836  -0.921
  124    HB2  LEU  13          2HB       LEU  13   8.216  -2.010  -2.053
  125    HB3  LEU  13          1HB       LEU  13   9.384  -2.482  -3.216
  126    HG   LEU  13           HG       LEU  13   7.947  -4.591  -1.513
  127   HD11  LEU  13          1HD1      LEU  13   6.619  -4.854  -3.846
  128   HD12  LEU  13          2HD1      LEU  13   6.105  -3.629  -2.680
  129   HD13  LEU  13          3HD1      LEU  13   7.072  -3.156  -4.094
  130   HD21  LEU  13          1HD2      LEU  13   8.847  -6.179  -3.075
  131   HD22  LEU  13          2HD2      LEU  13   9.194  -4.947  -4.317
  132   HD23  LEU  13          3HD2      LEU  13  10.211  -5.068  -2.874
  133    HN1  NH2  14          1HN       NH2  14  12.247  -0.358  -1.973
  134    HN2  NH2  14          2HN       NH2  14  10.455  -0.303  -1.562
  Start of MODEL   18
    1    H1   PHE   1          1H        PHE   1 -12.152   7.761   0.992
    2    H2   PHE   1          2H        PHE   1 -12.734   6.549   0.007
    3    H3   PHE   1          3H        PHE   1 -12.521   6.261   1.596
    4    HA   PHE   1           HA       PHE   1 -10.301   6.775  -0.308
    5    HB2  PHE   1          2HB       PHE   1  -8.767   6.318   1.513
    6    HB3  PHE   1          1HB       PHE   1  -9.795   7.623   1.998
    7    HD1  PHE   1           HD1      PHE   1  -8.898   4.045   2.615
    8    HD2  PHE   1           HD2      PHE   1 -11.473   7.272   3.866
    9    HE1  PHE   1           HE1      PHE   1  -9.552   2.771   4.612
   10    HE2  PHE   1           HE2      PHE   1 -12.115   5.971   5.847
   11    HZ   PHE   1           HZ       PHE   1 -11.157   3.727   6.228
   12    H    VAL   2           H        VAL   2  -8.956   4.875  -0.739
   13    HA   VAL   2           HA       VAL   2 -10.484   2.270  -0.444
   14    HB   VAL   2           HB       VAL   2 -10.330   3.145  -2.796
   15   HG11  VAL   2          1HG1      VAL   2  -7.832   3.887  -2.683
   16   HG12  VAL   2          2HG1      VAL   2  -7.411   2.169  -2.727
   17   HG13  VAL   2          3HG1      VAL   2  -8.274   2.903  -4.099
   18   HG21  VAL   2          1HG2      VAL   2 -10.875   0.768  -2.311
   19   HG22  VAL   2          2HG2      VAL   2  -9.900   0.893  -3.782
   20   HG23  VAL   2          3HG2      VAL   2  -9.146   0.345  -2.268
   21    HA   PH6   3           HA       TCP   3  -6.697   0.955   1.920
   22    HB2  PH6   3          1HB       TCP   3  -8.129  -0.410   3.118
   23    HB3  PH6   3          2HB       TCP   3  -7.332  -1.700   2.202
   24    HG2  PH6   3           HG       TCP   3  -9.083  -1.795   0.541
   25    HD2  PH6   3          1HD       TCP   3 -10.376   0.806   1.486
   26    HD3  PH6   3          2HD       TCP   3 -10.224   0.096  -0.144
   27    H1   PH6   3           H19      TCP   3 -11.115  -2.850   4.763
   28    H61  PH6   3           H20      TCP   3  -8.965  -2.880   3.508
   29    H62  PH6   3           H21      TCP   3  -9.690  -3.770   2.172
   30    H21  PH6   3           H17      TCP   3 -12.217  -4.544   2.413
   31    H22  PH6   3           H18      TCP   3 -10.644  -4.507   4.377
   32    H51  PH6   3           H11      TCP   3 -10.555  -0.961   3.115
   33    H52  PH6   3           H12      TCP   3 -12.099  -0.963   1.102
   34    H41  PH6   3           H13      TCP   3 -11.596  -2.600   0.701
   35    H42  PH6   3           H14      TCP   3 -13.762  -2.612   1.969
   36    H31  PH6   3           H15      TCP   3 -13.038  -1.687   3.285
   37    H32  PH6   3           H16      TCP   3 -13.101  -4.134   3.884
   38    H    TRP   4           H        TRP   4  -5.364   1.432   0.177
   39    HA   TRP   4           HA       TRP   4  -4.744  -0.614  -1.921
   40    HB2  TRP   4          1HB       TRP   4  -3.412   2.031  -1.138
   41    HB3  TRP   4          2HB       TRP   4  -2.703   0.911  -2.294
   42    HD1  TRP   4           HD1      TRP   4  -4.978  -0.030  -4.172
   43    HE1  TRP   4           HE1      TRP   4  -6.075   1.587  -5.949
   44    HE3  TRP   4           HE3      TRP   4  -3.906   4.339  -1.748
   45    HZ2  TRP   4           HZ2      TRP   4  -6.245   4.409  -6.161
   46    HZ3  TRP   4           HZ3      TRP   4  -4.436   6.484  -2.859
   47    HH2  TRP   4           HH2      TRP   4  -5.630   6.521  -5.014
   48    H    PHE   5           H        PHE   5  -4.230  -2.459  -0.985
   49    HA   PHE   5           HA       PHE   5  -2.283  -2.969   1.080
   50    HB2  PHE   5          2HB       PHE   5  -2.801  -4.968  -1.199
   51    HB3  PHE   5          1HB       PHE   5  -2.330  -5.312   0.436
   52    HD1  PHE   5           HD1      PHE   5  -4.107  -4.535   2.336
   53    HD2  PHE   5           HD2      PHE   5  -5.081  -5.122  -1.812
   54    HE1  PHE   5           HE1      PHE   5  -6.489  -4.793   2.921
   55    HE2  PHE   5           HE2      PHE   5  -7.450  -5.381  -1.217
   56    HZ   PHE   5           HZ       PHE   5  -8.160  -5.233   1.146
   57    H    SER   6           H        SER   6  -1.800  -3.179  -2.424
   58    HA   SER   6           HA       SER   6   1.043  -3.647  -2.592
   59    HB2  SER   6          2HB       SER   6   0.183  -1.791  -4.740
   60    HB3  SER   6          1HB       SER   6   0.736  -3.441  -4.834
   61    HG   SER   6           HG       SER   6  -1.284  -4.049  -5.071
   62    H    LYS   7           H        LYS   7  -0.619  -0.567  -2.199
   63    HA   LYS   7           HA       LYS   7   1.708   1.262  -2.240
   64    HB2  LYS   7          2HB       LYS   7  -1.054   1.328  -0.872
   65    HB3  LYS   7          1HB       LYS   7   0.124   2.450  -0.387
   66    HG2  LYS   7          2HG       LYS   7   0.353   2.915  -3.119
   67    HG3  LYS   7          1HG       LYS   7  -1.265   2.294  -3.089
   68    HD2  LYS   7          2HD       LYS   7  -1.497   4.649  -2.800
   69    HD3  LYS   7          1HD       LYS   7  -1.857   3.980  -1.226
   70    HE2  LYS   7          2HE       LYS   7   1.078   4.751  -1.750
   71    HE3  LYS   7          1HE       LYS   7  -0.060   6.089  -1.737
   72    HZ1  LYS   7          1HZ       LYS   7   0.788   5.583   0.598
   73    HZ2  LYS   7          2HZ       LYS   7  -0.838   5.353   0.539
   74    HZ3  LYS   7          3HZ       LYS   7   0.165   4.070   0.525
   75    H    PHE   8           H        PHE   8   0.503  -0.787   0.352
   76    HA   PHE   8           HA       PHE   8   2.360   0.259   2.429
   77    HB2  PHE   8          2HB       PHE   8   0.101  -1.615   2.407
   78    HB3  PHE   8          1HB       PHE   8   1.454  -2.572   2.865
   79    HD1  PHE   8           HD1      PHE   8   3.217  -0.936   4.540
   80    HD2  PHE   8           HD2      PHE   8  -1.079  -0.977   4.317
   81    HE1  PHE   8           HE1      PHE   8   3.091  -0.015   6.808
   82    HE2  PHE   8           HE2      PHE   8  -1.198  -0.093   6.608
   83    HZ   PHE   8           HZ       PHE   8   0.886   0.405   7.858
   84    H    LEU   9           H        LEU   9   2.302  -2.768   0.541
   85    HA   LEU   9           HA       LEU   9   5.017  -3.624   1.160
   86    HB2  LEU   9          2HB       LEU   9   2.865  -4.477  -0.740
   87    HB3  LEU   9          1HB       LEU   9   4.378  -4.413  -1.571
   88    HG   LEU   9           HG       LEU   9   5.408  -5.768   0.444
   89   HD11  LEU   9          1HD1      LEU   9   2.426  -6.537   0.833
   90   HD12  LEU   9          2HD1      LEU   9   3.824  -7.115   1.771
   91   HD13  LEU   9          3HD1      LEU   9   3.283  -5.433   1.926
   92   HD21  LEU   9          1HD2      LEU   9   3.394  -7.372  -1.235
   93   HD22  LEU   9          2HD2      LEU   9   4.792  -6.582  -1.996
   94   HD23  LEU   9          3HD2      LEU   9   5.052  -7.787  -0.733
   95    H    GLY  10           H        GLY  10   3.948  -1.521  -1.497
   96    HA2  GLY  10          1HA       GLY  10   6.488  -1.045  -2.850
   97    HA3  GLY  10          2HA       GLY  10   5.188   0.126  -2.754
   98    H    ARG  11           H        ARG  11   5.244   0.588   0.023
   99    HA   ARG  11           HA       ARG  11   7.645   2.375   0.333
  100    HB2  ARG  11          2HB       ARG  11   5.147   1.785   2.052
  101    HB3  ARG  11          1HB       ARG  11   6.509   2.519   2.832
  102    HG2  ARG  11          2HG       ARG  11   5.229   3.742   0.313
  103    HG3  ARG  11          1HG       ARG  11   4.757   4.162   1.971
  104    HD2  ARG  11          2HD       ARG  11   7.115   4.876   2.525
  105    HD3  ARG  11          1HD       ARG  11   7.667   4.391   0.920
  106    HE   ARG  11           HE       ARG  11   5.457   6.372   0.715
  107   HH11  ARG  11          1HH1      ARG  11   9.207   7.753   0.598
  108   HH12  ARG  11          2HH1      ARG  11   8.878   6.060   1.195
  109   HH21  ARG  11          1HH2      ARG  11   7.550   8.939  -0.010
  110   HH22  ARG  11          2HH2      ARG  11   5.848   8.292   0.053
  111    H    ILE  12           H        ILE  12   6.549  -0.547   2.010
  112    HA   ILE  12           HA       ILE  12   8.982  -0.792   3.697
  113    HB   ILE  12           HB       ILE  12   7.038  -3.016   2.871
  114   HG12  ILE  12          2HG1      ILE  12   5.689  -1.248   3.908
  115   HG13  ILE  12          1HG1      ILE  12   5.714  -2.672   4.889
  116   HG21  ILE  12          1HG2      ILE  12   9.048  -2.830   5.204
  117   HG22  ILE  12          2HG2      ILE  12   7.760  -4.059   5.142
  118   HG23  ILE  12          3HG2      ILE  12   9.020  -4.023   3.894
  119   HD11  ILE  12          1HD1      ILE  12   7.818  -0.593   5.653
  120   HD12  ILE  12          2HD1      ILE  12   6.131  -0.079   5.847
  121   HD13  ILE  12          3HD1      ILE  12   6.730  -1.535   6.687
  122    H    LEU  13           H        LEU  13   8.263  -1.945   0.451
  123    HA   LEU  13           HA       LEU  13  10.725  -3.574   0.096
  124    HB2  LEU  13          2HB       LEU  13   8.600  -2.355  -1.780
  125    HB3  LEU  13          1HB       LEU  13   9.976  -3.185  -2.422
  126    HG   LEU  13           HG       LEU  13   7.966  -4.540  -0.508
  127   HD11  LEU  13          1HD1      LEU  13   8.168  -4.467  -3.584
  128   HD12  LEU  13          2HD1      LEU  13   7.322  -5.771  -2.717
  129   HD13  LEU  13          3HD1      LEU  13   6.770  -4.098  -2.547
  130   HD21  LEU  13          1HD2      LEU  13   9.949  -5.799  -0.254
  131   HD22  LEU  13          2HD2      LEU  13   9.201  -6.651  -1.613
  132   HD23  LEU  13          3HD2      LEU  13  10.523  -5.499  -1.909
  133    HN1  NH2  14          1HN       NH2  14  12.789  -0.553  -0.049
  134    HN2  NH2  14          2HN       NH2  14  11.978  -1.682   1.152
  Start of MODEL   19
    1    H1   PHE   1          1H        PHE   1 -12.919   6.725   1.812
    2    H2   PHE   1          2H        PHE   1 -13.136   6.139   0.265
    3    H3   PHE   1          3H        PHE   1 -13.031   5.099   1.514
    4    HA   PHE   1           HA       PHE   1 -10.780   6.793   0.585
    5    HB2  PHE   1          2HB       PHE   1  -9.387   5.644   2.206
    6    HB3  PHE   1          1HB       PHE   1 -10.690   6.401   3.055
    7    HD1  PHE   1           HD1      PHE   1  -8.994   3.226   2.362
    8    HD2  PHE   1           HD2      PHE   1 -12.669   4.886   3.884
    9    HE1  PHE   1           HE1      PHE   1  -9.590   1.050   3.337
   10    HE2  PHE   1           HE2      PHE   1 -13.255   2.697   4.820
   11    HZ   PHE   1           HZ       PHE   1 -11.719   0.781   4.564
   12    H    VAL   2           H        VAL   2  -8.967   5.495  -0.321
   13    HA   VAL   2           HA       VAL   2 -10.031   3.418  -2.178
   14    HB   VAL   2           HB       VAL   2  -8.497   5.251  -2.963
   15   HG11  VAL   2          1HG1      VAL   2  -6.185   3.540  -1.869
   16   HG12  VAL   2          2HG1      VAL   2  -6.086   5.128  -2.668
   17   HG13  VAL   2          3HG1      VAL   2  -6.741   4.983  -1.017
   18   HG21  VAL   2          1HG2      VAL   2  -8.953   3.247  -4.366
   19   HG22  VAL   2          2HG2      VAL   2  -7.279   3.780  -4.586
   20   HG23  VAL   2          3HG2      VAL   2  -7.627   2.354  -3.584
   21    HA   PH6   3           HA       TCP   3  -8.437   0.007   0.600
   22    HB2  PH6   3          1HB       TCP   3 -10.188  -1.236  -0.276
   23    HB3  PH6   3          2HB       TCP   3  -8.875  -2.087  -1.096
   24    HG2  PH6   3           HG       TCP   3  -9.124  -0.812  -3.136
   25    HD2  PH6   3          1HD       TCP   3 -10.991   1.216  -1.809
   26    HD3  PH6   3          2HD       TCP   3  -9.778   1.414  -3.106
   27    H1   PH6   3           H19      TCP   3 -12.422  -3.019  -5.411
   28    H61  PH6   3           H20      TCP   3 -13.527  -0.761  -5.433
   29    H62  PH6   3           H21      TCP   3 -13.906  -0.893  -3.715
   30    H21  PH6   3           H17      TCP   3 -13.250  -3.161  -2.428
   31    H22  PH6   3           H18      TCP   3 -14.076  -3.155  -4.811
   32    H51  PH6   3           H11      TCP   3 -11.877   0.502  -4.046
   33    H52  PH6   3           H12      TCP   3 -11.064  -0.777  -4.941
   34    H41  PH6   3           H13      TCP   3 -11.978  -0.977  -1.988
   35    H42  PH6   3           H14      TCP   3 -10.813  -3.206  -1.956
   36    H31  PH6   3           H15      TCP   3 -10.410  -3.047  -3.663
   37    H32  PH6   3           H16      TCP   3 -12.471  -4.453  -3.343
   38    H    TRP   4           H        TRP   4  -6.412   1.134   0.357
   39    HA   TRP   4           HA       TRP   4  -4.400   0.299  -1.600
   40    HB2  TRP   4          1HB       TRP   4  -4.294   1.734   1.105
   41    HB3  TRP   4          2HB       TRP   4  -2.829   1.124   0.455
   42    HD1  TRP   4           HD1      TRP   4  -3.195   1.881  -2.754
   43    HE1  TRP   4           HE1      TRP   4  -3.096   4.387  -3.565
   44    HE3  TRP   4           HE3      TRP   4  -4.179   4.003   1.785
   45    HZ2  TRP   4           HZ2      TRP   4  -3.364   6.876  -2.233
   46    HZ3  TRP   4           HZ3      TRP   4  -4.254   6.470   1.957
   47    HH2  TRP   4           HH2      TRP   4  -3.871   7.889  -0.025
   48    H    PHE   5           H        PHE   5  -3.636  -1.571  -1.837
   49    HA   PHE   5           HA       PHE   5  -3.145  -3.521   0.477
   50    HB2  PHE   5          2HB       PHE   5  -3.254  -4.091  -2.549
   51    HB3  PHE   5          1HB       PHE   5  -3.135  -5.279  -1.281
   52    HD1  PHE   5           HD1      PHE   5  -5.381  -4.279  -3.568
   53    HD2  PHE   5           HD2      PHE   5  -5.185  -4.552   0.724
   54    HE1  PHE   5           HE1      PHE   5  -7.830  -4.453  -3.455
   55    HE2  PHE   5           HE2      PHE   5  -7.628  -4.700   0.821
   56    HZ   PHE   5           HZ       PHE   5  -8.959  -4.682  -1.266
   57    H    SER   6           H        SER   6  -1.509  -2.546  -2.528
   58    HA   SER   6           HA       SER   6   1.184  -3.385  -1.444
   59    HB2  SER   6          2HB       SER   6   0.853  -1.919  -4.100
   60    HB3  SER   6          1HB       SER   6   1.998  -3.171  -3.625
   61    HG   SER   6           HG       SER   6   0.192  -3.771  -5.101
   62    H    LYS   7           H        LYS   7  -0.227  -1.161  -0.127
   63    HA   LYS   7           HA       LYS   7   1.488   1.281  -0.680
   64    HB2  LYS   7          2HB       LYS   7  -0.899   1.614  -0.182
   65    HB3  LYS   7          1HB       LYS   7  -0.759   0.784   1.374
   66    HG2  LYS   7          2HG       LYS   7  -0.818   3.142   1.883
   67    HG3  LYS   7          1HG       LYS   7   0.810   2.594   2.187
   68    HD2  LYS   7          2HD       LYS   7   0.987   3.361  -0.560
   69    HD3  LYS   7          1HD       LYS   7  -0.243   4.446  -0.025
   70    HE2  LYS   7          2HE       LYS   7   2.513   4.051   1.413
   71    HE3  LYS   7          1HE       LYS   7   2.315   5.160   0.055
   72    HZ1  LYS   7          1HZ       LYS   7   1.856   6.365   2.254
   73    HZ2  LYS   7          2HZ       LYS   7   0.487   6.324   1.331
   74    HZ3  LYS   7          3HZ       LYS   7   0.645   5.301   2.585
   75    H    PHE   8           H        PHE   8   0.981  -0.883   2.080
   76    HA   PHE   8           HA       PHE   8   3.341   0.111   3.641
   77    HB2  PHE   8          2HB       PHE   8   1.421  -2.305   3.925
   78    HB3  PHE   8          1HB       PHE   8   2.862  -2.210   4.886
   79    HD1  PHE   8           HD1      PHE   8   3.348  -0.001   6.208
   80    HD2  PHE   8           HD2      PHE   8  -0.551  -1.127   4.786
   81    HE1  PHE   8           HE1      PHE   8   2.311   1.480   7.875
   82    HE2  PHE   8           HE2      PHE   8  -1.582   0.346   6.471
   83    HZ   PHE   8           HZ       PHE   8  -0.155   1.653   8.018
   84    H    LEU   9           H        LEU   9   2.730  -2.691   1.564
   85    HA   LEU   9           HA       LEU   9   5.555  -3.649   1.676
   86    HB2  LEU   9          2HB       LEU   9   3.009  -4.507   0.237
   87    HB3  LEU   9          1HB       LEU   9   4.468  -4.717  -0.685
   88    HG   LEU   9           HG       LEU   9   5.530  -5.924   1.323
   89   HD11  LEU   9          1HD1      LEU   9   2.624  -6.252   2.320
   90   HD12  LEU   9          2HD1      LEU   9   4.133  -6.806   3.090
   91   HD13  LEU   9          3HD1      LEU   9   3.753  -5.082   3.042
   92   HD21  LEU   9          1HD2      LEU   9   5.079  -7.612  -0.125
   93   HD22  LEU   9          2HD2      LEU   9   3.550  -7.918   0.716
   94   HD23  LEU   9          3HD2      LEU   9   3.583  -6.875  -0.711
   95    H    GLY  10           H        GLY  10   3.787  -1.571  -0.648
   96    HA2  GLY  10          1HA       GLY  10   5.887  -1.320  -2.682
   97    HA3  GLY  10          2HA       GLY  10   4.668  -0.112  -2.373
   98    H    ARG  11           H        ARG  11   5.456   0.526   0.266
   99    HA   ARG  11           HA       ARG  11   7.816   2.357  -0.183
  100    HB2  ARG  11          2HB       ARG  11   6.003   1.736   2.246
  101    HB3  ARG  11          1HB       ARG  11   7.419   2.731   2.434
  102    HG2  ARG  11          2HG       ARG  11   5.247   3.398   0.343
  103    HG3  ARG  11          1HG       ARG  11   5.179   3.921   2.021
  104    HD2  ARG  11          2HD       ARG  11   7.615   4.971   1.648
  105    HD3  ARG  11          1HD       ARG  11   7.432   4.571  -0.038
  106    HE   ARG  11           HE       ARG  11   6.050   6.480  -0.320
  107   HH11  ARG  11          1HH1      ARG  11   5.108   7.124   3.531
  108   HH12  ARG  11          2HH1      ARG  11   6.064   5.653   3.015
  109   HH21  ARG  11          1HH2      ARG  11   4.528   8.494   1.952
  110   HH22  ARG  11          2HH2      ARG  11   4.978   8.144   0.220
  111    H    ILE  12           H        ILE  12   7.287  -0.391   2.048
  112    HA   ILE  12           HA       ILE  12  10.100  -0.519   2.953
  113    HB   ILE  12           HB       ILE  12   8.019  -2.775   2.967
  114   HG12  ILE  12          2HG1      ILE  12   8.552  -0.735   5.236
  115   HG13  ILE  12          1HG1      ILE  12   7.152  -0.716   4.197
  116   HG21  ILE  12          1HG2      ILE  12   9.416  -3.716   4.879
  117   HG22  ILE  12          2HG2      ILE  12  10.373  -3.578   3.415
  118   HG23  ILE  12          3HG2      ILE  12  10.569  -2.368   4.696
  119   HD11  ILE  12          1HD1      ILE  12   6.412  -1.800   6.222
  120   HD12  ILE  12          2HD1      ILE  12   6.519  -3.085   4.992
  121   HD13  ILE  12          3HD1      ILE  12   7.790  -2.918   6.229
  122    H    LEU  13           H        LEU  13   8.457  -1.990   0.190
  123    HA   LEU  13           HA       LEU  13  10.391  -3.851  -0.776
  124    HB2  LEU  13          2HB       LEU  13   8.236  -2.075  -2.009
  125    HB3  LEU  13          1HB       LEU  13   9.424  -2.592  -3.129
  126    HG   LEU  13           HG       LEU  13   7.767  -4.563  -1.452
  127   HD11  LEU  13          1HD1      LEU  13   7.476  -3.410  -4.308
  128   HD12  LEU  13          2HD1      LEU  13   6.773  -4.980  -3.870
  129   HD13  LEU  13          3HD1      LEU  13   6.255  -3.521  -3.018
  130   HD21  LEU  13          1HD2      LEU  13   9.893  -5.626  -2.048
  131   HD22  LEU  13          2HD2      LEU  13   8.728  -6.204  -3.245
  132   HD23  LEU  13          3HD2      LEU  13   9.891  -4.926  -3.681
  133    HN1  NH2  14          1HN       NH2  14  12.234  -0.482  -2.251
  134    HN2  NH2  14          2HN       NH2  14  10.392  -0.467  -2.080
  Start of MODEL   20
    1    H1   PHE   1          1H        PHE   1 -13.077   7.097   1.254
    2    H2   PHE   1          2H        PHE   1 -12.772   6.816  -0.363
    3    H3   PHE   1          3H        PHE   1 -13.459   5.649   0.551
    4    HA   PHE   1           HA       PHE   1 -10.681   6.616   0.942
    5    HB2  PHE   1          2HB       PHE   1 -10.434   4.751   2.543
    6    HB3  PHE   1          1HB       PHE   1 -11.601   5.907   3.089
    7    HD1  PHE   1           HD1      PHE   1 -11.198   2.443   1.649
    8    HD2  PHE   1           HD2      PHE   1 -13.959   5.238   3.428
    9    HE1  PHE   1           HE1      PHE   1 -12.895   0.676   1.827
   10    HE2  PHE   1           HE2      PHE   1 -15.635   3.450   3.601
   11    HZ   PHE   1           HZ       PHE   1 -15.111   1.173   2.802
   12    H    VAL   2           H        VAL   2  -9.037   5.319   0.028
   13    HA   VAL   2           HA       VAL   2  -9.975   3.474  -2.163
   14    HB   VAL   2           HB       VAL   2  -8.443   5.368  -2.732
   15   HG11  VAL   2          1HG1      VAL   2  -6.071   5.293  -2.272
   16   HG12  VAL   2          2HG1      VAL   2  -6.806   4.954  -0.685
   17   HG13  VAL   2          3HG1      VAL   2  -6.155   3.626  -1.647
   18   HG21  VAL   2          1HG2      VAL   2  -7.147   4.058  -4.395
   19   HG22  VAL   2          2HG2      VAL   2  -7.428   2.554  -3.491
   20   HG23  VAL   2          3HG2      VAL   2  -8.787   3.408  -4.260
   21    HA   PH6   3           HA       TCP   3  -8.507  -0.075   0.483
   22    HB2  PH6   3          1HB       TCP   3 -10.097  -1.350  -0.511
   23    HB3  PH6   3          2HB       TCP   3  -8.775  -2.058  -1.402
   24    HG2  PH6   3           HG       TCP   3  -9.063  -0.745  -3.328
   25    HD2  PH6   3          1HD       TCP   3 -10.842   1.382  -2.116
   26    HD3  PH6   3          2HD       TCP   3  -9.491   1.484  -3.252
   27    H1   PH6   3           H19      TCP   3 -13.620  -2.546  -2.625
   28    H61  PH6   3           H20      TCP   3 -15.025  -1.164  -4.214
   29    H62  PH6   3           H21      TCP   3 -14.201   0.309  -3.701
   30    H21  PH6   3           H17      TCP   3 -12.488   0.160  -1.742
   31    H22  PH6   3           H18      TCP   3 -14.473  -1.267  -1.752
   32    H51  PH6   3           H11      TCP   3 -13.226  -0.526  -5.873
   33    H52  PH6   3           H12      TCP   3 -12.864  -2.091  -5.142
   34    H41  PH6   3           H13      TCP   3 -10.804  -0.683  -5.180
   35    H42  PH6   3           H14      TCP   3 -11.644   0.623  -4.358
   36    H31  PH6   3           H15      TCP   3 -11.049  -2.182  -3.195
   37    H32  PH6   3           H16      TCP   3 -12.114  -1.399  -1.040
   38    H    TRP   4           H        TRP   4  -6.496   1.061   0.478
   39    HA   TRP   4           HA       TRP   4  -4.344   0.376  -1.394
   40    HB2  TRP   4          1HB       TRP   4  -4.440   1.651   1.387
   41    HB3  TRP   4          2HB       TRP   4  -2.915   1.112   0.802
   42    HD1  TRP   4           HD1      TRP   4  -3.120   2.037  -2.386
   43    HE1  TRP   4           HE1      TRP   4  -3.004   4.591  -3.042
   44    HE3  TRP   4           HE3      TRP   4  -4.428   3.878   2.195
   45    HZ2  TRP   4           HZ2      TRP   4  -3.408   6.990  -1.591
   46    HZ3  TRP   4           HZ3      TRP   4  -4.553   6.330   2.502
   47    HH2  TRP   4           HH2      TRP   4  -4.065   7.866   0.634
   48    H    PHE   5           H        PHE   5  -3.594  -1.488  -1.704
   49    HA   PHE   5           HA       PHE   5  -3.176  -3.553   0.529
   50    HB2  PHE   5          2HB       PHE   5  -3.271  -4.005  -2.522
   51    HB3  PHE   5          1HB       PHE   5  -3.155  -5.237  -1.298
   52    HD1  PHE   5           HD1      PHE   5  -5.132  -5.177   0.582
   53    HD2  PHE   5           HD2      PHE   5  -5.444  -3.496  -3.366
   54    HE1  PHE   5           HE1      PHE   5  -7.586  -5.328   0.702
   55    HE2  PHE   5           HE2      PHE   5  -7.887  -3.679  -3.245
   56    HZ   PHE   5           HZ       PHE   5  -8.967  -4.603  -1.218
   57    H    SER   6           H        SER   6  -1.513  -2.511  -2.437
   58    HA   SER   6           HA       SER   6   1.217  -3.310  -1.392
   59    HB2  SER   6          2HB       SER   6   1.938  -2.544  -3.684
   60    HB3  SER   6          1HB       SER   6   0.714  -3.799  -3.725
   61    HG   SER   6           HG       SER   6   0.089  -1.007  -3.912
   62    H    LYS   7           H        LYS   7  -0.239  -1.168   0.020
   63    HA   LYS   7           HA       LYS   7   1.455   1.322  -0.463
   64    HB2  LYS   7          2HB       LYS   7  -0.942   1.523   0.080
   65    HB3  LYS   7          1HB       LYS   7  -0.723   0.759   1.646
   66    HG2  LYS   7          2HG       LYS   7   1.059   3.166   1.022
   67    HG3  LYS   7          1HG       LYS   7  -0.642   3.530   1.102
   68    HD2  LYS   7          2HD       LYS   7  -0.841   3.180   3.380
   69    HD3  LYS   7          1HD       LYS   7   0.272   1.833   3.432
   70    HE2  LYS   7          2HE       LYS   7   2.273   3.229   3.366
   71    HE3  LYS   7          1HE       LYS   7   1.360   4.681   2.931
   72    HZ1  LYS   7          1HZ       LYS   7   1.793   4.660   5.401
   73    HZ2  LYS   7          2HZ       LYS   7   0.179   4.535   5.145
   74    HZ3  LYS   7          3HZ       LYS   7   1.036   3.212   5.571
   75    H    PHE   8           H        PHE   8   1.070  -1.054   2.138
   76    HA   PHE   8           HA       PHE   8   3.470  -0.113   3.697
   77    HB2  PHE   8          2HB       PHE   8   1.246  -2.152   4.083
   78    HB3  PHE   8          1HB       PHE   8   2.788  -2.784   4.509
   79    HD1  PHE   8           HD1      PHE   8   3.033  -2.730   6.833
   80    HD2  PHE   8           HD2      PHE   8   1.324   0.701   4.916
   81    HE1  PHE   8           HE1      PHE   8   2.946  -1.565   8.994
   82    HE2  PHE   8           HE2      PHE   8   1.247   1.876   7.101
   83    HZ   PHE   8           HZ       PHE   8   2.064   0.742   9.130
   84    H    LEU   9           H        LEU   9   2.815  -2.808   1.509
   85    HA   LEU   9           HA       LEU   9   5.652  -3.748   1.498
   86    HB2  LEU   9          2HB       LEU   9   3.094  -4.508   0.020
   87    HB3  LEU   9          1HB       LEU   9   4.563  -4.706  -0.883
   88    HG   LEU   9           HG       LEU   9   5.568  -6.059   1.067
   89   HD11  LEU   9          1HD1      LEU   9   2.672  -5.776   2.114
   90   HD12  LEU   9          2HD1      LEU   9   3.698  -7.163   2.549
   91   HD13  LEU   9          3HD1      LEU   9   4.205  -5.523   2.983
   92   HD21  LEU   9          1HD2      LEU   9   3.138  -6.993  -0.582
   93   HD22  LEU   9          2HD2      LEU   9   4.874  -7.183  -0.928
   94   HD23  LEU   9          3HD2      LEU   9   4.134  -8.110   0.386
   95    H    GLY  10           H        GLY  10   3.810  -1.527  -0.644
   96    HA2  GLY  10          1HA       GLY  10   5.864  -1.158  -2.703
   97    HA3  GLY  10          2HA       GLY  10   4.644   0.027  -2.306
   98    H    ARG  11           H        ARG  11   5.461   0.553   0.337
   99    HA   ARG  11           HA       ARG  11   7.814   2.394  -0.015
  100    HB2  ARG  11          2HB       ARG  11   5.834   1.732   2.237
  101    HB3  ARG  11          1HB       ARG  11   7.375   2.321   2.754
  102    HG2  ARG  11          2HG       ARG  11   5.814   3.833   0.583
  103    HG3  ARG  11          1HG       ARG  11   5.468   4.073   2.275
  104    HD2  ARG  11          2HD       ARG  11   8.453   4.186   1.754
  105    HD3  ARG  11          1HD       ARG  11   7.591   5.260   0.663
  106    HE   ARG  11           HE       ARG  11   6.634   5.581   3.485
  107   HH11  ARG  11          1HH1      ARG  11   9.700   7.898   2.429
  108   HH12  ARG  11          2HH1      ARG  11   9.304   6.407   1.451
  109   HH21  ARG  11          1HH2      ARG  11   8.479   8.345   4.113
  110   HH22  ARG  11          2HH2      ARG  11   7.078   7.277   4.574
  111    H    ILE  12           H        ILE  12   7.369  -0.512   2.021
  112    HA   ILE  12           HA       ILE  12  10.214  -0.676   2.829
  113    HB   ILE  12           HB       ILE  12   8.154  -2.934   2.788
  114   HG12  ILE  12          2HG1      ILE  12   8.687  -1.012   5.142
  115   HG13  ILE  12          1HG1      ILE  12   7.272  -0.991   4.127
  116   HG21  ILE  12          1HG2      ILE  12   9.876  -4.248   3.532
  117   HG22  ILE  12          2HG2      ILE  12  11.000  -2.892   3.656
  118   HG23  ILE  12          3HG2      ILE  12   9.980  -3.301   5.028
  119   HD11  ILE  12          1HD1      ILE  12   7.895  -2.916   6.332
  120   HD12  ILE  12          2HD1      ILE  12   6.317  -2.330   5.745
  121   HD13  ILE  12          3HD1      ILE  12   7.145  -3.659   4.904
  122    H    LEU  13           H        LEU  13   8.485  -2.018   0.047
  123    HA   LEU  13           HA       LEU  13  10.409  -3.779  -1.102
  124    HB2  LEU  13          2HB       LEU  13   8.240  -1.917  -2.167
  125    HB3  LEU  13          1HB       LEU  13   9.403  -2.362  -3.351
  126    HG   LEU  13           HG       LEU  13   7.846  -4.434  -1.722
  127   HD11  LEU  13          1HD1      LEU  13   6.951  -4.528  -4.443
  128   HD12  LEU  13          2HD1      LEU  13   6.072  -3.824  -3.076
  129   HD13  LEU  13          3HD1      LEU  13   7.069  -2.798  -4.123
  130   HD21  LEU  13          1HD2      LEU  13  10.234  -4.972  -2.936
  131   HD22  LEU  13          2HD2      LEU  13   8.885  -6.108  -3.024
  132   HD23  LEU  13          3HD2      LEU  13   9.247  -5.023  -4.393
  133    HN1  NH2  14          1HN       NH2  14  12.254  -0.258  -2.061
  134    HN2  NH2  14          2HN       NH2  14  10.468  -0.222  -1.614