*HEADER    ANTIMICROBIAL PROTEIN                   21-MAR-07   2JOS              
*TITLE     SOLUTION STRUCTURE OF PISCIDIN IN PRESENCE OF DPC MICELLES            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MORONECIDIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES, 23-44;                         
*COMPND   5 SYNONYM: PISCIDIN-1;                                                 
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PISCIDIN PEPTIDE IS NATURALLY FOUND IN            
*SOURCE   4 MORONE SAXATILIS (STRIPED BASS).                                     
*KEYWDS    PISCIDIN, ANTIMICROBIAL, AMPHIPATHIC HELIX, MICELLAR                  
*KEYWDS   2 ENVIRONMENT                                                          
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    S.CAMPAGNA, N.SAINT, G.MOLLE, A.AUMELAS                               
*REVDAT   1   03-APR-07 2JOS    0                                                


  2 PHE  HA      5 ILE  HB      3.00                
  2 PHE  HA      5 ILE  QG1     6.00                
  2 PHE  QB      5 ILE  HB      5.00                
  2 PHE  QB      5 ILE  QG1     6.00                
  2 PHE  QB      5 ILE  QD1     6.00                
  4 HIS  HA      5 ILE  HN      3.50                
  4 HIS  HA      6 PHE  HN      5.00                
  4 HIS  HA      7 ARG  HN      5.00                
  4 HIS  HA      7 ARG  QB      4.00                
  4 HIS  QB      5 ILE  HN      5.00                
  5 ILE  HN      6 PHE  HN      2.80                
  5 ILE  HA      6 PHE  HN      3.50                
  5 ILE  HB      6 PHE  HN      4.00                
  5 ILE  HB      6 PHE  QB      5.00                
  5 ILE  QG2     6 PHE  HN      6.00                
  6 PHE  HN      6 PHE  QB      3.60                
  6 PHE  HN      7 ARG  HN      2.80                
  6 PHE  HA      7 ARG  HN      3.50                
  6 PHE  HA      8 GLY  HN      5.00                
  6 PHE  HA      9 ILE  HB      3.00                
  6 PHE  QB      7 ARG  HN      4.00                
  6 PHE  QB      8 GLY  HN      6.00                
  7 ARG  HN      8 GLY  HN      2.80                
  7 ARG  HA      8 GLY  HN      3.50                
  7 ARG  HA     10 VAL  HB      4.00                
  7 ARG  QB      8 GLY  HN      4.00                
  7 ARG  QG      8 GLY  HN      5.00                
  8 GLY  HN      9 ILE  HN      2.80                
  8 GLY  QA      9 ILE  HN      4.50                
  8 GLY  QA     11 HIS  HN      5.00                
  8 GLY  QA     11 HIS  QB      6.00                
  9 ILE  HN      9 ILE  HB      3.00                
  9 ILE  HN      9 ILE  QG1     4.00                
  9 ILE  HN     10 VAL  HN      2.80                
  9 ILE  HN     10 VAL  HA      5.00                
  9 ILE  HA     10 VAL  HN      3.50                
  9 ILE  QG2    13 GLY  HN      5.00                
  9 ILE  QD1    13 GLY  HN      5.00                
  9 ILE  O      13 GLY  N       3.10                
  9 ILE  O      13 GLY  HN      2.10                
 10 VAL  HN     10 VAL  HB      3.00                
 10 VAL  HN     10 VAL  QG1     5.00                
 10 VAL  HN     10 VAL  QG2     5.00                
 10 VAL  HN     11 HIS  HN      2.80                
 10 VAL  HN     12 VAL  HB      5.00                
 10 VAL  HN     13 GLY  HN      5.00                
 10 VAL  HA     13 GLY  HN      4.00                
 10 VAL  HA     14 LYS  HN      5.00                
 10 VAL  HA     14 LYS  QB      6.00                
 10 VAL  HA     14 LYS  QG      6.00                
 10 VAL  HB     12 VAL  HN      5.00                
 10 VAL  QG1    11 HIS  HN      4.00                
 10 VAL  QG1    14 LYS  QE      6.00                
 10 VAL  QG2    11 HIS  HN      5.00                
 10 VAL  QG2    14 LYS  QE      6.00                
 10 VAL  O      14 LYS  N       3.10                
 10 VAL  O      14 LYS  HN      2.10                
 11 HIS  HN     11 HIS  QB      3.60                
 11 HIS  HN     11 HIS  HE1     5.00                
 11 HIS  HN     12 VAL  HN      2.80                
 11 HIS  HN     12 VAL  HB      5.00                
 11 HIS  HN     13 GLY  HN      5.00                
 11 HIS  HA     12 VAL  HN      3.50                
 11 HIS  HA     13 GLY  HN      5.00                
 11 HIS  HA     14 LYS  HN      4.00                
 11 HIS  HA     14 LYS  QB      4.00                
 11 HIS  HA     14 LYS  QG      5.00                
 11 HIS  HA     14 LYS  QD      4.00                
 11 HIS  HA     15 THR  HN      4.00                
 11 HIS  QB     12 VAL  HN      4.00                
 11 HIS  QB     12 VAL  HB      6.00                
 11 HIS  QB     13 GLY  HN      6.00                
 11 HIS  HD2    12 VAL  HN      5.00                
 11 HIS  O      15 THR  N       3.10                
 11 HIS  O      15 THR  HN      2.10                
 12 VAL  HN     12 VAL  QG1     5.00                
 12 VAL  HN     12 VAL  QG2     5.00                
 12 VAL  HN     13 GLY  HN      2.80                
 12 VAL  HN     13 GLY  QA      5.00                
 12 VAL  HN     14 LYS  HN      5.00                
 12 VAL  HN     14 LYS  QB      6.00                
 12 VAL  HA     13 GLY  HN      3.50                
 12 VAL  HA     15 THR  HB      3.00                
 12 VAL  HA     15 THR  QG2     4.00                
 12 VAL  HB     13 GLY  HN      3.00                
 12 VAL  HB     15 THR  HN      5.00                
 12 VAL  HB     16 ILE  QG1     6.00                
 12 VAL  QG1    13 GLY  HN      4.00                
 12 VAL  QG2    13 GLY  HN      4.00                
 12 VAL  O      16 ILE  N       3.10                
 12 VAL  O      16 ILE  HN      2.10                
 13 GLY  HN     14 LYS  HN      2.80                
 13 GLY  QA     14 LYS  HN      4.50                
 13 GLY  QA     16 ILE  HN      5.00                
 13 GLY  O      17 HIS  N       3.10                
 13 GLY  O      17 HIS  HN      2.10                
 14 LYS  HN     14 LYS  QB      4.00                
 14 LYS  HN     14 LYS  QG      5.00                
 14 LYS  HN     14 LYS  QD      4.00                
 14 LYS  HN     15 THR  HN      2.80                
 14 LYS  HA     15 THR  HN      4.00                
 14 LYS  HA     17 HIS  QB      4.00                
 14 LYS  HA     18 ARG  HN      5.00                
 14 LYS  QB     15 THR  HN      5.00                
 14 LYS  QB     16 ILE  HN      6.00                
 14 LYS  O      18 ARG  N       3.10                
 14 LYS  O      18 ARG  HN      2.10                
 15 THR  HN     15 THR  QG2     4.00                
 15 THR  HN     16 ILE  HN      2.80                
 15 THR  HA     16 ILE  HN      3.50                
 15 THR  HA     18 ARG  QB      4.00                
 15 THR  HB     16 ILE  HN      4.00                
 15 THR  QG2    16 ILE  HN      4.00                
 15 THR  QG2    17 HIS  HN      5.00                
 15 THR  QG2    18 ARG  HN      5.00                
 15 THR  O      19 LEU  N       3.10                
 15 THR  O      19 LEU  HN      2.10                
 16 ILE  HA     17 HIS  HN      3.50                
 16 ILE  HA     19 LEU  HN      4.00                
 16 ILE  HB     17 HIS  HN      4.00                
 16 ILE  QG2    17 HIS  HN      5.00                
 16 ILE  QG2    17 HIS  HN      4.00                
 16 ILE  QG2    17 HIS  HA      5.00                
 16 ILE  QD1    17 HIS  HN      5.00                
 16 ILE  QD1    17 HIS  HN      4.00                
 17 HIS  HN     17 HIS  QB      3.60                
 17 HIS  HN     17 HIS  HE1     5.00                
 17 HIS  HN     18 ARG  HN      2.80                
 17 HIS  HA     18 ARG  HN      3.50                
 17 HIS  HA     20 VAL  HB      3.00                
 17 HIS  HA     20 VAL  QG2     5.00                
 17 HIS  QB     18 ARG  HN      5.00                
 17 HIS  QB     20 VAL  HN      5.00                
 17 HIS  HD2    20 VAL  HN      5.00                
 18 ARG  HN     19 LEU  HN      2.80                
 18 ARG  QB     19 LEU  HA      5.00                
 18 ARG  QG     19 LEU  HA      6.00                
 19 LEU  HN     20 VAL  HN      2.80                
 19 LEU  HA     21 THR  HN      4.00                
 19 LEU  HA     22 GLY  HN      4.00                
 19 LEU  QB     20 VAL  HN      4.00                
 20 VAL  HN     21 THR  HN      2.80                
 20 VAL  HA     21 THR  HN      3.50                
 20 VAL  HB     21 THR  HN      3.50                
 20 VAL  QG1    21 THR  HN      4.00                
 20 VAL  QG1    22 GLY  HN      5.00                
 20 VAL  QG2    21 THR  HN      4.00                
 20 VAL  QG2    22 GLY  HN      5.00                
 21 THR  HN     21 THR  QG2     4.00                
 21 THR  HN     22 GLY  HN      2.80                
 21 THR  HN     22 GLY  QA      5.00                
 21 THR  HA     22 GLY  HN      3.50                
 21 THR  HB     22 GLY  HN      4.00                


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    PHE   1          1H        PHE   1  -6.197  15.286  -2.680
    2    HA   PHE   1           HA       PHE   1  -4.332  15.929  -1.689
    3   1HB   PHE   1          1HB       PHE   1  -5.996  15.245   0.804
    4   2HB   PHE   1          2HB       PHE   1  -4.391  15.939   0.926
    5    HD1  PHE   1           HD1      PHE   1  -7.641  16.781   1.251
    6    HD2  PHE   1           HD2      PHE   1  -4.222  18.057  -0.914
    7    HE1  PHE   1           HE1      PHE   1  -8.622  19.083   1.059
    8    HE2  PHE   1           HE2      PHE   1  -5.203  20.360  -1.106
    9    HZ   PHE   1           HZ       PHE   1  -7.392  20.845  -0.118
   10    H    PHE   2           H        PHE   2  -2.461  15.087  -0.204
   11    HA   PHE   2           HA       PHE   2  -2.611  12.190   0.089
   12   1HB   PHE   2          1HB       PHE   2  -0.502  11.975  -1.184
   13   2HB   PHE   2          2HB       PHE   2  -1.641  12.856  -2.183
   14    HD1  PHE   2           HD1      PHE   2  -1.517  15.485  -1.946
   15    HD2  PHE   2           HD2      PHE   2   1.629  12.830  -0.915
   16    HE1  PHE   2           HE1      PHE   2   0.139  17.356  -2.184
   17    HE2  PHE   2           HE2      PHE   2   3.285  14.701  -1.154
   18    HZ   PHE   2           HZ       PHE   2   2.520  16.941  -1.785
   19    H    HIS   3           H        HIS   3  -2.841  13.413   2.346
   20    HA   HIS   3           HA       HIS   3  -0.142  13.949   3.337
   21   1HB   HIS   3          1HB       HIS   3  -1.932  15.737   3.512
   22   2HB   HIS   3          2HB       HIS   3  -2.767  14.694   4.645
   23    HD1  HIS   3           HD1      HIS   3  -2.069  14.847   7.063
   24    HD2  HIS   3           HD2      HIS   3   0.764  16.523   4.462
   25    HE1  HIS   3           HE1      HIS   3  -0.313  15.963   8.541
   26    H    HIS   4           H        HIS   4  -3.300  12.455   4.356
   27    HA   HIS   4           HA       HIS   4  -1.684  10.477   5.794
   28   1HB   HIS   4          1HB       HIS   4  -3.630  10.270   7.345
   29   2HB   HIS   4          2HB       HIS   4  -2.785  11.803   7.425
   30    HD1  HIS   4           HD1      HIS   4  -6.054  10.271   6.309
   31    HD2  HIS   4           HD2      HIS   4  -4.285  14.058   6.660
   32    HE1  HIS   4           HE1      HIS   4  -7.929  11.970   5.979
   33    H    ILE   5           H        ILE   5  -2.042  10.013   3.136
   34    HA   ILE   5           HA       ILE   5  -4.403   8.289   2.971
   35    HB   ILE   5           HB       ILE   5  -2.654   9.593   0.896
   36   1HG1  ILE   5          1HG1      ILE   5  -4.929  10.457   0.156
   37   2HG1  ILE   5          2HG1      ILE   5  -5.574   9.832   1.661
   38   1HG2  ILE   5          1HG2      ILE   5  -3.148   7.219   0.283
   39   2HG2  ILE   5          2HG2      ILE   5  -4.882   7.616   0.350
   40   3HG2  ILE   5          3HG2      ILE   5  -3.827   8.427  -0.833
   41   1HD1  ILE   5          1HD1      ILE   5  -3.097  11.456   1.968
   42   2HD1  ILE   5          2HD1      ILE   5  -4.516  12.349   1.369
   43   3HD1  ILE   5          3HD1      ILE   5  -4.599  11.480   2.921
   44    H    PHE   6           H        PHE   6  -0.958   8.331   3.405
   45    HA   PHE   6           HA       PHE   6  -0.701   5.595   2.456
   46   1HB   PHE   6          1HB       PHE   6   0.956   7.577   2.059
   47   2HB   PHE   6          2HB       PHE   6   1.325   7.495   3.771
   48    HD1  PHE   6           HD1      PHE   6   1.871   5.998   0.522
   49    HD2  PHE   6           HD2      PHE   6   2.447   5.477   4.694
   50    HE1  PHE   6           HE1      PHE   6   3.606   4.244   0.063
   51    HE2  PHE   6           HE2      PHE   6   4.183   3.723   4.235
   52    HZ   PHE   6           HZ       PHE   6   4.741   3.127   1.926
   53    H    ARG   7           H        ARG   7  -1.702   7.173   5.259
   54    HA   ARG   7           HA       ARG   7  -0.290   5.514   7.089
   55   1HB   ARG   7          1HB       ARG   7  -1.825   7.928   7.213
   56   2HB   ARG   7          2HB       ARG   7  -2.664   6.773   8.229
   57   1HG   ARG   7          1HG       ARG   7  -0.596   6.320   9.501
   58   2HG   ARG   7          2HG       ARG   7   0.330   7.349   8.426
   59   1HD   ARG   7          1HD       ARG   7  -0.424   9.291   9.412
   60   2HD   ARG   7          2HD       ARG   7  -2.052   8.679   9.622
   61    HE   ARG   7           HE       ARG   7   0.162   8.459  11.538
   62   1HH1  ARG   7          1HH1      ARG   7  -2.990   7.156  10.580
   63   2HH1  ARG   7          2HH1      ARG   7  -3.333   6.499  12.145
   64   1HH2  ARG   7          1HH2      ARG   7  -1.731   6.767  13.907
   65    H    GLY   8           H        GLY   8  -3.382   5.543   5.346
   66   1HA   GLY   8          1HA       GLY   8  -4.523   3.429   6.996
   67   2HA   GLY   8          2HA       GLY   8  -5.281   4.272   5.660
   68    H    ILE   9           H        ILE   9  -2.512   3.807   4.163
   69    HA   ILE   9           HA       ILE   9  -3.395   1.332   2.970
   70    HB   ILE   9           HB       ILE   9  -1.331   3.409   2.287
   71   1HG1  ILE   9          1HG1      ILE   9  -3.812   3.759   1.851
   72   2HG1  ILE   9          2HG1      ILE   9  -2.732   3.960   0.486
   73   1HG2  ILE   9          1HG2      ILE   9  -1.703   0.665   1.090
   74   2HG2  ILE   9          2HG2      ILE   9  -1.032   2.023   0.154
   75   3HG2  ILE   9          3HG2      ILE   9  -0.206   1.463   1.628
   76   1HD1  ILE   9          1HD1      ILE   9  -3.504   2.064  -0.594
   77   2HD1  ILE   9          2HD1      ILE   9  -3.827   1.201   0.928
   78   3HD1  ILE   9          3HD1      ILE   9  -4.964   2.444   0.351
   79    H    VAL  10           H        VAL  10  -1.890   1.886   5.770
   80    HA   VAL  10           HA       VAL  10   0.428   0.221   5.407
   81    HB   VAL  10           HB       VAL  10  -0.872   1.696   7.672
   82   1HG1  VAL  10          1HG1      VAL  10   1.166   0.794   9.035
   83   2HG1  VAL  10          2HG1      VAL  10  -0.305  -0.200   8.890
   84   3HG1  VAL  10          3HG1      VAL  10   1.115  -0.558   7.877
   85   1HG2  VAL  10          1HG2      VAL  10   1.240   2.200   5.830
   86   2HG2  VAL  10          2HG2      VAL  10   0.665   3.228   7.163
   87   3HG2  VAL  10          3HG2      VAL  10   1.965   2.046   7.448
   88    H    HIS  11           H        HIS  11  -2.805   0.003   7.031
   89    HA   HIS  11           HA       HIS  11  -2.390  -2.656   7.858
   90   1HB   HIS  11          1HB       HIS  11  -5.035  -1.239   7.453
   91   2HB   HIS  11          2HB       HIS  11  -4.713  -2.615   8.491
   92    HD1  HIS  11           HD1      HIS  11  -2.428  -1.841  10.221
   93    HD2  HIS  11           HD2      HIS  11  -5.323   0.953   9.033
   94    HE1  HIS  11           HE1      HIS  11  -2.330   0.057  11.923
   95    H    VAL  12           H        VAL  12  -3.606  -1.105   4.895
   96    HA   VAL  12           HA       VAL  12  -4.802  -3.445   3.839
   97    HB   VAL  12           HB       VAL  12  -3.727  -1.098   2.282
   98   1HG1  VAL  12          1HG1      VAL  12  -5.084  -3.384   1.498
   99   2HG1  VAL  12          2HG1      VAL  12  -6.374  -2.164   1.623
  100   3HG1  VAL  12          3HG1      VAL  12  -4.965  -1.865   0.577
  101   1HG2  VAL  12          1HG2      VAL  12  -5.040   0.314   3.401
  102   2HG2  VAL  12          2HG2      VAL  12  -6.458  -0.656   2.936
  103   3HG2  VAL  12          3HG2      VAL  12  -5.601  -1.004   4.457
  104    H    GLY  13           H        GLY  13  -1.779  -1.682   2.835
  105   1HA   GLY  13          1HA       GLY  13  -0.722  -3.533   1.152
  106   2HA   GLY  13          2HA       GLY  13   0.228  -2.483   2.186
  107    H    LYS  14           H        LYS  14  -0.580  -3.510   4.767
  108    HA   LYS  14           HA       LYS  14   1.186  -5.703   4.930
  109   1HB   LYS  14          1HB       LYS  14  -0.562  -4.182   6.830
  110   2HB   LYS  14          2HB       LYS  14   0.080  -5.730   7.339
  111   1HG   LYS  14          1HG       LYS  14   2.333  -5.008   7.167
  112   2HG   LYS  14          2HG       LYS  14   1.938  -3.705   6.063
  113   1HD   LYS  14          1HD       LYS  14   0.726  -2.518   7.916
  114   2HD   LYS  14          2HD       LYS  14   1.160  -3.813   9.016
  115   1HE   LYS  14          1HE       LYS  14   2.701  -1.813   9.152
  116   2HE   LYS  14          2HE       LYS  14   3.535  -3.315   8.805
  117   1HZ   LYS  14          1HZ       LYS  14   3.941  -1.184   7.340
  118   2HZ   LYS  14          2HZ       LYS  14   3.956  -2.658   6.649
  119    H    THR  15           H        THR  15  -2.365  -5.341   4.716
  120    HA   THR  15           HA       THR  15  -3.058  -7.940   5.455
  121    HB   THR  15           HB       THR  15  -4.332  -5.580   4.681
  122    HG1  THR  15           HG1      THR  15  -5.205  -8.376   4.884
  123   1HG2  THR  15          1HG2      THR  15  -5.973  -6.535   2.929
  124   2HG2  THR  15          2HG2      THR  15  -4.380  -6.047   2.300
  125   3HG2  THR  15          3HG2      THR  15  -4.736  -7.768   2.585
  126    H    ILE  16           H        ILE  16  -2.626  -6.607   2.103
  127    HA   ILE  16           HA       ILE  16  -2.949  -8.976   0.779
  128    HB   ILE  16           HB       ILE  16  -1.006  -6.797   0.020
  129   1HG1  ILE  16          1HG1      ILE  16  -3.377  -6.201  -1.245
  130   2HG1  ILE  16          2HG1      ILE  16  -3.933  -6.721   0.335
  131   1HG2  ILE  16          1HG2      ILE  16  -2.534  -7.802  -2.161
  132   2HG2  ILE  16          2HG2      ILE  16  -0.781  -7.917  -1.878
  133   3HG2  ILE  16          3HG2      ILE  16  -1.866  -9.191  -1.270
  134   1HD1  ILE  16          1HD1      ILE  16  -3.485  -4.539   0.899
  135   2HD1  ILE  16          2HD1      ILE  16  -1.826  -5.154   1.093
  136   3HD1  ILE  16          3HD1      ILE  16  -2.301  -4.336  -0.415
  137    H    HIS  17           H        HIS  17   0.185  -7.528   1.921
  138    HA   HIS  17           HA       HIS  17   1.753  -9.671   1.172
  139   1HB   HIS  17          1HB       HIS  17   2.153  -7.755   3.487
  140   2HB   HIS  17          2HB       HIS  17   3.393  -8.765   2.772
  141    HD1  HIS  17           HD1      HIS  17   3.460  -5.587   2.845
  142    HD2  HIS  17           HD2      HIS  17   2.311  -7.946  -0.427
  143    HE1  HIS  17           HE1      HIS  17   3.801  -4.143   0.769
  144    H    ARG  18           H        ARG  18  -0.666  -9.432   3.639
  145    HA   ARG  18           HA       ARG  18   0.521 -11.418   5.297
  146   1HB   ARG  18          1HB       ARG  18  -1.554  -9.480   5.550
  147   2HB   ARG  18          2HB       ARG  18  -2.352 -11.031   5.722
  148   1HG   ARG  18          1HG       ARG  18  -1.285 -11.524   7.709
  149   2HG   ARG  18          2HG       ARG  18   0.224 -10.786   7.207
  150   1HD   ARG  18          1HD       ARG  18  -1.479  -8.581   7.373
  151   2HD   ARG  18          2HD       ARG  18  -2.054  -9.591   8.684
  152    HE   ARG  18           HE       ARG  18   0.850  -9.421   8.665
  153   1HH1  ARG  18          1HH1      ARG  18  -2.079  -7.689   9.651
  154   2HH1  ARG  18          2HH1      ARG  18  -1.279  -6.796  10.901
  155   1HH2  ARG  18          1HH2      ARG  18   1.064  -7.136  11.273
  156    H    LEU  19           H        LEU  19  -1.638 -11.237   2.518
  157    HA   LEU  19           HA       LEU  19  -2.224 -14.098   2.835
  158   1HB   LEU  19          1HB       LEU  19  -3.952 -11.874   2.409
  159   2HB   LEU  19          2HB       LEU  19  -3.968 -12.852   0.956
  160    HG   LEU  19           HG       LEU  19  -4.187 -14.539   3.304
  161   1HD1  LEU  19          1HD1      LEU  19  -5.272 -12.132   3.893
  162   2HD1  LEU  19          2HD1      LEU  19  -6.656 -12.922   3.099
  163   3HD1  LEU  19          3HD1      LEU  19  -5.886 -13.684   4.511
  164   1HD2  LEU  19          1HD2      LEU  19  -5.017 -14.539   0.666
  165   2HD2  LEU  19          2HD2      LEU  19  -5.477 -15.717   1.918
  166   3HD2  LEU  19          3HD2      LEU  19  -6.532 -14.325   1.575
  167    H    VAL  20           H        VAL  20  -0.050 -12.117   1.466
  168    HA   VAL  20           HA       VAL  20  -0.147 -12.493  -1.248
  169    HB   VAL  20           HB       VAL  20   1.410 -11.014  -0.201
  170   1HG1  VAL  20          1HG1      VAL  20   1.726 -12.763   1.775
  171   2HG1  VAL  20          2HG1      VAL  20   3.158 -13.219   0.822
  172   3HG1  VAL  20          3HG1      VAL  20   2.970 -11.546   1.398
  173   1HG2  VAL  20          1HG2      VAL  20   2.180 -11.688  -2.328
  174   2HG2  VAL  20          2HG2      VAL  20   3.595 -11.837  -1.258
  175   3HG2  VAL  20          3HG2      VAL  20   2.684 -13.290  -1.735
  176    H    THR  21           H        THR  21   1.500 -14.598   1.219
  177    HA   THR  21           HA       THR  21   2.089 -16.606  -0.707
  178    HB   THR  21           HB       THR  21   2.534 -16.004   2.148
  179    HG1  THR  21           HG1      THR  21   4.416 -17.447   1.396
  180   1HG2  THR  21          1HG2      THR  21   2.893 -18.349   2.838
  181   2HG2  THR  21          2HG2      THR  21   1.178 -18.129   2.415
  182   3HG2  THR  21          3HG2      THR  21   2.281 -18.929   1.270
  183    H    GLY  22           H        GLY  22  -0.861 -15.576   0.220
  184   1HA   GLY  22          1HA       GLY  22  -2.056 -18.172   0.758
  185   2HA   GLY  22          2HA       GLY  22  -2.855 -16.614   0.700
  Start of MODEL    2
    1   1H    PHE   1          1H        PHE   1  -1.294  16.631  -0.655
    2    HA   PHE   1           HA       PHE   1   0.445  15.994   1.363
    3   1HB   PHE   1          1HB       PHE   1  -1.597  17.680   1.091
    4   2HB   PHE   1          2HB       PHE   1  -2.578  16.360   1.698
    5    HD1  PHE   1           HD1      PHE   1  -3.196  16.777   3.874
    6    HD2  PHE   1           HD2      PHE   1   0.773  17.694   2.686
    7    HE1  PHE   1           HE1      PHE   1  -2.647  17.451   6.228
    8    HE2  PHE   1           HE2      PHE   1   1.322  18.368   5.041
    9    HZ   PHE   1           HZ       PHE   1  -0.394  18.239   6.783
   10    H    PHE   2           H        PHE   2   0.461  14.482   3.092
   11    HA   PHE   2           HA       PHE   2  -1.551  12.410   3.081
   12   1HB   PHE   2          1HB       PHE   2   0.213  10.643   2.824
   13   2HB   PHE   2          2HB       PHE   2   0.194  11.684   1.415
   14    HD1  PHE   2           HD1      PHE   2   2.244  10.189   3.828
   15    HD2  PHE   2           HD2      PHE   2   1.854  13.742   1.542
   16    HE1  PHE   2           HE1      PHE   2   4.690  10.656   4.138
   17    HE2  PHE   2           HE2      PHE   2   4.301  14.209   1.852
   18    HZ   PHE   2           HZ       PHE   2   5.689  12.661   3.147
   19    H    HIS   3           H        HIS   3  -1.708  13.892   5.125
   20    HA   HIS   3           HA       HIS   3   0.343  13.491   7.065
   21   1HB   HIS   3          1HB       HIS   3  -0.821  15.564   7.101
   22   2HB   HIS   3          2HB       HIS   3  -2.388  14.781   7.116
   23    HD1  HIS   3           HD1      HIS   3   0.694  15.053   9.380
   24    HD2  HIS   3           HD2      HIS   3  -3.454  14.486   9.619
   25    HE1  HIS   3           HE1      HIS   3   0.114  15.062  11.865
   26    H    HIS   4           H        HIS   4  -2.900  12.131   6.323
   27    HA   HIS   4           HA       HIS   4  -2.210   9.849   7.944
   28   1HB   HIS   4          1HB       HIS   4  -4.092   9.904   9.369
   29   2HB   HIS   4          2HB       HIS   4  -3.339  11.482   9.483
   30    HD1  HIS   4           HD1      HIS   4  -6.560  10.213   9.525
   31    HD2  HIS   4           HD2      HIS   4  -4.753  13.179   7.172
   32    HE1  HIS   4           HE1      HIS   4  -8.453  11.674   8.637
   33    H    ILE   5           H        ILE   5  -2.684  10.736   5.046
   34    HA   ILE   5           HA       ILE   5  -5.058   9.174   4.417
   35    HB   ILE   5           HB       ILE   5  -3.255  10.716   2.555
   36   1HG1  ILE   5          1HG1      ILE   5  -5.792  11.719   3.876
   37   2HG1  ILE   5          2HG1      ILE   5  -4.179  12.130   4.421
   38   1HG2  ILE   5          1HG2      ILE   5  -5.627   9.067   2.217
   39   2HG2  ILE   5          2HG2      ILE   5  -5.868  10.719   1.602
   40   3HG2  ILE   5          3HG2      ILE   5  -4.512   9.736   1.002
   41   1HD1  ILE   5          1HD1      ILE   5  -3.684  13.381   2.489
   42   2HD1  ILE   5          2HD1      ILE   5  -4.899  12.527   1.508
   43   3HD1  ILE   5          3HD1      ILE   5  -5.416  13.721   2.721
   44    H    PHE   6           H        PHE   6  -1.647   8.835   4.790
   45    HA   PHE   6           HA       PHE   6  -1.664   6.484   3.041
   46   1HB   PHE   6          1HB       PHE   6   0.216   8.648   3.793
   47   2HB   PHE   6          2HB       PHE   6   0.945   7.076   4.058
   48    HD1  PHE   6           HD1      PHE   6  -1.233   8.564   1.402
   49    HD2  PHE   6           HD2      PHE   6   2.314   6.430   2.335
   50    HE1  PHE   6           HE1      PHE   6  -0.684   8.407  -1.043
   51    HE2  PHE   6           HE2      PHE   6   2.862   6.272  -0.109
   52    HZ   PHE   6           HZ       PHE   6   1.357   7.263  -1.769
   53    H    ARG   7           H        ARG   7  -2.319   7.256   6.181
   54    HA   ARG   7           HA       ARG   7  -0.631   5.366   7.450
   55   1HB   ARG   7          1HB       ARG   7  -1.605   7.451   8.552
   56   2HB   ARG   7          2HB       ARG   7  -3.180   6.684   8.511
   57   1HG   ARG   7          1HG       ARG   7  -2.693   5.297  10.269
   58   2HG   ARG   7          2HG       ARG   7  -1.083   4.947   9.675
   59   1HD   ARG   7          1HD       ARG   7  -1.829   7.598  10.995
   60   2HD   ARG   7          2HD       ARG   7  -1.176   6.237  11.886
   61    HE   ARG   7           HE       ARG   7   0.461   6.915   9.568
   62   1HH1  ARG   7          1HH1      ARG   7  -0.190   7.765  12.946
   63   2HH1  ARG   7          2HH1      ARG   7   1.378   8.452  13.206
   64   1HH2  ARG   7          1HH2      ARG   7   2.961   8.474  11.407
   65    H    GLY   8           H        GLY   8  -3.401   5.157   5.486
   66   1HA   GLY   8          1HA       GLY   8  -4.490   2.798   6.857
   67   2HA   GLY   8          2HA       GLY   8  -5.246   3.712   5.568
   68    H    ILE   9           H        ILE   9  -2.629   3.861   4.010
   69    HA   ILE   9           HA       ILE   9  -3.041   1.499   2.510
   70    HB   ILE   9           HB       ILE   9  -1.225   3.864   2.385
   71   1HG1  ILE   9          1HG1      ILE   9  -3.454   4.077   1.463
   72   2HG1  ILE   9          2HG1      ILE   9  -2.267   4.115   0.174
   73   1HG2  ILE   9          1HG2      ILE   9   0.386   2.279   1.812
   74   2HG2  ILE   9          2HG2      ILE   9  -0.790   1.240   0.970
   75   3HG2  ILE   9          3HG2      ILE   9  -0.287   2.786   0.244
   76   1HD1  ILE   9          1HD1      ILE   9  -3.743   2.592  -0.752
   77   2HD1  ILE   9          2HD1      ILE   9  -2.735   1.454   0.176
   78   3HD1  ILE   9          3HD1      ILE   9  -4.294   2.004   0.836
   79    H    VAL  10           H        VAL  10  -1.468   2.053   5.452
   80    HA   VAL  10           HA       VAL  10   0.744   0.278   4.994
   81    HB   VAL  10           HB       VAL  10  -0.372   1.856   7.278
   82   1HG1  VAL  10          1HG1      VAL  10   1.412  -0.557   7.489
   83   2HG1  VAL  10          2HG1      VAL  10   1.627   0.811   8.609
   84   3HG1  VAL  10          3HG1      VAL  10   0.068  -0.044   8.536
   85   1HG2  VAL  10          1HG2      VAL  10   2.311   2.269   7.246
   86   2HG2  VAL  10          2HG2      VAL  10   2.026   1.870   5.534
   87   3HG2  VAL  10          3HG2      VAL  10   1.145   3.218   6.292
   88    H    HIS  11           H        HIS  11  -2.451   0.199   6.691
   89    HA   HIS  11           HA       HIS  11  -2.116  -2.446   7.587
   90   1HB   HIS  11          1HB       HIS  11  -4.696  -0.921   7.150
   91   2HB   HIS  11          2HB       HIS  11  -4.468  -2.322   8.177
   92    HD1  HIS  11           HD1      HIS  11  -2.173  -1.703   9.948
   93    HD2  HIS  11           HD2      HIS  11  -4.870   1.275   8.743
   94    HE1  HIS  11           HE1      HIS  11  -1.986   0.171  11.670
   95    H    VAL  12           H        VAL  12  -3.253  -0.954   4.570
   96    HA   VAL  12           HA       VAL  12  -4.545  -3.270   3.581
   97    HB   VAL  12           HB       VAL  12  -3.348  -1.019   1.972
   98   1HG1  VAL  12          1HG1      VAL  12  -4.222  -2.467   0.424
   99   2HG1  VAL  12          2HG1      VAL  12  -5.449  -3.107   1.545
  100   3HG1  VAL  12          3HG1      VAL  12  -5.680  -1.512   0.788
  101   1HG2  VAL  12          1HG2      VAL  12  -6.105  -0.530   2.604
  102   2HG2  VAL  12          2HG2      VAL  12  -5.195  -0.749   4.119
  103   3HG2  VAL  12          3HG2      VAL  12  -4.681   0.483   2.941
  104    H    GLY  13           H        GLY  13  -1.438  -1.686   2.541
  105   1HA   GLY  13          1HA       GLY  13  -0.456  -3.654   0.943
  106   2HA   GLY  13          2HA       GLY  13   0.533  -2.600   1.933
  107    H    LYS  14           H        LYS  14  -0.398  -3.502   4.549
  108    HA   LYS  14           HA       LYS  14   1.301  -5.743   4.830
  109   1HB   LYS  14          1HB       LYS  14  -0.317  -3.984   6.597
  110   2HB   LYS  14          2HB       LYS  14   0.023  -5.589   7.212
  111   1HG   LYS  14          1HG       LYS  14   2.124  -4.933   7.746
  112   2HG   LYS  14          2HG       LYS  14   2.463  -4.654   6.049
  113   1HD   LYS  14          1HD       LYS  14   1.909  -2.353   6.172
  114   2HD   LYS  14          2HD       LYS  14   0.927  -2.561   7.609
  115   1HE   LYS  14          1HE       LYS  14   2.975  -1.491   8.318
  116   2HE   LYS  14          2HE       LYS  14   3.046  -3.144   8.895
  117   1HZ   LYS  14          1HZ       LYS  14   4.376  -2.127   6.441
  118   2HZ   LYS  14          2HZ       LYS  14   5.125  -2.548   7.824
  119    H    THR  15           H        THR  15  -2.232  -5.256   4.552
  120    HA   THR  15           HA       THR  15  -3.024  -7.804   5.377
  121    HB   THR  15           HB       THR  15  -4.213  -5.428   4.538
  122    HG1  THR  15           HG1      THR  15  -5.257  -8.169   4.701
  123   1HG2  THR  15          1HG2      THR  15  -4.670  -7.638   2.474
  124   2HG2  THR  15          2HG2      THR  15  -5.857  -6.347   2.775
  125   3HG2  THR  15          3HG2      THR  15  -4.236  -5.940   2.162
  126    H    ILE  16           H        ILE  16  -2.513  -6.592   1.992
  127    HA   ILE  16           HA       ILE  16  -2.918  -8.991   0.739
  128    HB   ILE  16           HB       ILE  16  -0.894  -6.909  -0.076
  129   1HG1  ILE  16          1HG1      ILE  16  -3.239  -6.269  -1.372
  130   2HG1  ILE  16          2HG1      ILE  16  -3.815  -6.714   0.222
  131   1HG2  ILE  16          1HG2      ILE  16  -2.678  -8.389  -1.966
  132   2HG2  ILE  16          2HG2      ILE  16  -1.047  -7.718  -2.212
  133   3HG2  ILE  16          3HG2      ILE  16  -1.260  -9.224  -1.286
  134   1HD1  ILE  16          1HD1      ILE  16  -3.288  -4.533   0.716
  135   2HD1  ILE  16          2HD1      ILE  16  -1.652  -5.201   0.932
  136   3HD1  ILE  16          3HD1      ILE  16  -2.099  -4.416  -0.603
  137    H    HIS  17           H        HIS  17   0.258  -7.619   1.859
  138    HA   HIS  17           HA       HIS  17   1.752  -9.839   1.189
  139   1HB   HIS  17          1HB       HIS  17   2.209  -7.865   3.443
  140   2HB   HIS  17          2HB       HIS  17   3.416  -8.940   2.767
  141    HD1  HIS  17           HD1      HIS  17   3.597  -5.766   2.740
  142    HD2  HIS  17           HD2      HIS  17   2.375  -8.183  -0.462
  143    HE1  HIS  17           HE1      HIS  17   3.995  -4.401   0.622
  144    H    ARG  18           H        ARG  18  -0.668  -9.432   3.632
  145    HA   ARG  18           HA       ARG  18   0.438 -11.405   5.360
  146   1HB   ARG  18          1HB       ARG  18  -1.587  -9.392   5.524
  147   2HB   ARG  18          2HB       ARG  18  -2.413 -10.916   5.776
  148   1HG   ARG  18          1HG       ARG  18  -1.336 -11.337   7.776
  149   2HG   ARG  18          2HG       ARG  18   0.178 -10.641   7.232
  150   1HD   ARG  18          1HD       ARG  18  -1.639  -8.457   7.324
  151   2HD   ARG  18          2HD       ARG  18  -1.977  -9.388   8.768
  152    HE   ARG  18           HE       ARG  18   0.431  -7.853   8.231
  153   1HH1  ARG  18          1HH1      ARG  18  -0.771 -10.704   9.958
  154   2HH1  ARG  18          2HH1      ARG  18   0.496 -10.676  11.138
  155   1HH2  ARG  18          1HH2      ARG  18   2.174  -8.970  11.021
  156    H    LEU  19           H        LEU  19  -1.696 -11.236   2.562
  157    HA   LEU  19           HA       LEU  19  -2.391 -14.063   2.969
  158   1HB   LEU  19          1HB       LEU  19  -3.997 -11.745   2.298
  159   2HB   LEU  19          2HB       LEU  19  -4.123 -12.983   1.064
  160    HG   LEU  19           HG       LEU  19  -4.365 -14.013   3.814
  161   1HD1  LEU  19          1HD1      LEU  19  -5.747 -12.463   4.616
  162   2HD1  LEU  19          2HD1      LEU  19  -5.882 -11.652   3.036
  163   3HD1  LEU  19          3HD1      LEU  19  -6.934 -13.036   3.420
  164   1HD2  LEU  19          1HD2      LEU  19  -6.512 -14.944   2.617
  165   2HD2  LEU  19          2HD2      LEU  19  -5.662 -14.411   1.146
  166   3HD2  LEU  19          3HD2      LEU  19  -4.898 -15.590   2.237
  167    H    VAL  20           H        VAL  20  -0.142 -12.204   1.547
  168    HA   VAL  20           HA       VAL  20  -0.239 -12.667  -1.153
  169    HB   VAL  20           HB       VAL  20   1.366 -11.211  -0.147
  170   1HG1  VAL  20          1HG1      VAL  20   3.030 -13.440   0.959
  171   2HG1  VAL  20          2HG1      VAL  20   2.894 -11.743   1.480
  172   3HG1  VAL  20          3HG1      VAL  20   1.609 -12.904   1.888
  173   1HG2  VAL  20          1HG2      VAL  20   3.417 -11.896  -1.293
  174   2HG2  VAL  20          2HG2      VAL  20   2.806 -13.564  -1.417
  175   3HG2  VAL  20          3HG2      VAL  20   1.987 -12.249  -2.293
  176    H    THR  21           H        THR  21   1.319 -14.747   1.392
  177    HA   THR  21           HA       THR  21   1.849 -16.837  -0.461
  178    HB   THR  21           HB       THR  21   2.300 -16.154   2.372
  179    HG1  THR  21           HG1      THR  21   3.384 -17.909   0.285
  180   1HG2  THR  21          1HG2      THR  21   0.810 -18.255   2.590
  181   2HG2  THR  21          2HG2      THR  21   2.053 -19.114   1.648
  182   3HG2  THR  21          3HG2      THR  21   2.462 -18.416   3.233
  183    H    GLY  22           H        GLY  22  -1.070 -15.672   0.403
  184   1HA   GLY  22          1HA       GLY  22  -3.143 -16.537   0.641
  185   2HA   GLY  22          2HA       GLY  22  -2.599 -17.682  -0.568
  Start of MODEL    3
    1   1H    PHE   1          1H        PHE   1  -0.707  15.969  -0.883
    2    HA   PHE   1           HA       PHE   1  -3.191  15.217  -1.863
    3   1HB   PHE   1          1HB       PHE   1  -0.632  14.774  -2.543
    4   2HB   PHE   1          2HB       PHE   1  -0.790  13.355  -1.526
    5    HD1  PHE   1           HD1      PHE   1  -0.720  14.220  -4.771
    6    HD2  PHE   1           HD2      PHE   1  -3.312  12.202  -2.083
    7    HE1  PHE   1           HE1      PHE   1  -1.726  12.955  -6.691
    8    HE2  PHE   1           HE2      PHE   1  -4.319  10.938  -4.004
    9    HZ   PHE   1           HZ       PHE   1  -3.514  11.330  -6.284
   10    H    PHE   2           H        PHE   2  -1.053  13.405   0.463
   11    HA   PHE   2           HA       PHE   2  -3.511  12.372   1.675
   12   1HB   PHE   2          1HB       PHE   2  -1.984  10.224   1.940
   13   2HB   PHE   2          2HB       PHE   2  -2.705  10.521   0.370
   14    HD1  PHE   2           HD1      PHE   2   0.402  10.479   2.280
   15    HD2  PHE   2           HD2      PHE   2  -1.339  11.292  -1.504
   16    HE1  PHE   2           HE1      PHE   2   2.679  10.450   1.226
   17    HE2  PHE   2           HE2      PHE   2   0.938  11.263  -2.558
   18    HZ   PHE   2           HZ       PHE   2   2.921  10.843  -1.180
   19    H    HIS   3           H        HIS   3  -3.496  13.393   3.645
   20    HA   HIS   3           HA       HIS   3  -0.973  13.823   4.964
   21   1HB   HIS   3          1HB       HIS   3  -3.816  14.667   5.419
   22   2HB   HIS   3          2HB       HIS   3  -2.680  14.749   6.750
   23    HD1  HIS   3           HD1      HIS   3  -0.703  16.475   6.560
   24    HD2  HIS   3           HD2      HIS   3  -3.437  16.579   3.380
   25    HE1  HIS   3           HE1      HIS   3  -0.241  18.639   5.289
   26    H    HIS   4           H        HIS   4  -4.109  12.143   5.722
   27    HA   HIS   4           HA       HIS   4  -2.515  10.288   7.332
   28   1HB   HIS   4          1HB       HIS   4  -4.491  10.128   8.864
   29   2HB   HIS   4          2HB       HIS   4  -3.625  11.652   8.918
   30    HD1  HIS   4           HD1      HIS   4  -4.811  13.743   7.725
   31    HD2  HIS   4           HD2      HIS   4  -7.173  10.303   8.146
   32    HE1  HIS   4           HE1      HIS   4  -7.224  14.483   7.349
   33    H    ILE   5           H        ILE   5  -3.848  10.529   4.463
   34    HA   ILE   5           HA       ILE   5  -5.670   8.284   4.599
   35    HB   ILE   5           HB       ILE   5  -4.713   9.876   2.220
   36   1HG1  ILE   5          1HG1      ILE   5  -7.427  10.407   3.142
   37   2HG1  ILE   5          2HG1      ILE   5  -6.240  10.806   4.368
   38   1HG2  ILE   5          1HG2      ILE   5  -7.245   8.925   1.687
   39   2HG2  ILE   5          2HG2      ILE   5  -5.717   8.236   1.086
   40   3HG2  ILE   5          3HG2      ILE   5  -6.481   7.568   2.549
   41   1HD1  ILE   5          1HD1      ILE   5  -5.603  11.655   1.560
   42   2HD1  ILE   5          2HD1      ILE   5  -6.910  12.526   2.397
   43   3HD1  ILE   5          3HD1      ILE   5  -5.274  12.484   3.099
   44    H    PHE   6           H        PHE   6  -2.290   8.884   4.281
   45    HA   PHE   6           HA       PHE   6  -1.822   6.514   2.694
   46   1HB   PHE   6          1HB       PHE   6  -0.308   8.329   2.270
   47   2HB   PHE   6          2HB       PHE   6  -0.266   8.804   3.957
   48    HD1  PHE   6           HD1      PHE   6   0.566   5.709   2.021
   49    HD2  PHE   6           HD2      PHE   6   1.786   8.531   4.946
   50    HE1  PHE   6           HE1      PHE   6   2.728   4.469   2.315
   51    HE2  PHE   6           HE2      PHE   6   3.948   7.290   5.241
   52    HZ   PHE   6           HZ       PHE   6   4.393   5.274   3.921
   53    H    ARG   7           H        ARG   7  -2.185   7.412   6.038
   54    HA   ARG   7           HA       ARG   7  -0.424   5.527   7.108
   55   1HB   ARG   7          1HB       ARG   7  -1.352   7.514   8.351
   56   2HB   ARG   7          2HB       ARG   7  -2.935   6.762   8.348
   57   1HG   ARG   7          1HG       ARG   7  -1.000   4.848   9.353
   58   2HG   ARG   7          2HG       ARG   7  -0.794   6.358  10.216
   59   1HD   ARG   7          1HD       ARG   7  -3.493   4.974   9.837
   60   2HD   ARG   7          2HD       ARG   7  -2.492   4.784  11.263
   61    HE   ARG   7           HE       ARG   7  -4.176   7.049  10.654
   62   1HH1  ARG   7          1HH1      ARG   7  -1.084   6.223  12.175
   63   2HH1  ARG   7          2HH1      ARG   7  -1.085   7.607  13.218
   64   1HH2  ARG   7          1HH2      ARG   7  -2.915   9.152  13.115
   65    H    GLY   8           H        GLY   8  -3.532   5.303   5.575
   66   1HA   GLY   8          1HA       GLY   8  -4.371   2.891   6.954
   67   2HA   GLY   8          2HA       GLY   8  -5.186   3.719   5.642
   68    H    ILE   9           H        ILE   9  -2.453   3.834   4.145
   69    HA   ILE   9           HA       ILE   9  -2.887   1.468   2.654
   70    HB   ILE   9           HB       ILE   9  -1.812   3.913   2.165
   71   1HG1  ILE   9          1HG1      ILE   9  -2.769   1.988   0.667
   72   2HG1  ILE   9          2HG1      ILE   9  -1.742   3.231  -0.023
   73   1HG2  ILE   9          1HG2      ILE   9   0.555   3.535   1.511
   74   2HG2  ILE   9          2HG2      ILE   9   0.283   3.474   3.268
   75   3HG2  ILE   9          3HG2      ILE   9   0.501   1.966   2.349
   76   1HD1  ILE   9          1HD1      ILE   9  -0.781   0.492   0.932
   77   2HD1  ILE   9          2HD1      ILE   9  -1.042   0.965  -0.764
   78   3HD1  ILE   9          3HD1      ILE   9   0.239   1.750   0.191
   79    H    VAL  10           H        VAL  10  -1.427   1.997   5.652
   80    HA   VAL  10           HA       VAL  10   0.763   0.177   5.316
   81    HB   VAL  10           HB       VAL  10  -0.485   1.699   7.581
   82   1HG1  VAL  10          1HG1      VAL  10   1.732  -0.354   7.893
   83   2HG1  VAL  10          2HG1      VAL  10   1.080   0.712   9.160
   84   3HG1  VAL  10          3HG1      VAL  10   0.055  -0.559   8.455
   85   1HG2  VAL  10          1HG2      VAL  10   1.309   2.524   5.815
   86   2HG2  VAL  10          2HG2      VAL  10   1.414   2.995   7.528
   87   3HG2  VAL  10          3HG2      VAL  10   2.434   1.677   6.903
   88    H    HIS  11           H        HIS  11  -2.532   0.128   6.807
   89    HA   HIS  11           HA       HIS  11  -2.286  -2.536   7.683
   90   1HB   HIS  11          1HB       HIS  11  -4.875  -1.086   7.118
   91   2HB   HIS  11          2HB       HIS  11  -4.581  -2.368   8.277
   92    HD1  HIS  11           HD1      HIS  11  -5.805   0.398   9.099
   93    HD2  HIS  11           HD2      HIS  11  -1.744  -0.612   9.397
   94    HE1  HIS  11           HE1      HIS  11  -4.815   1.935  10.879
   95    H    VAL  12           H        VAL  12  -3.270  -0.966   4.647
   96    HA   VAL  12           HA       VAL  12  -4.532  -3.252   3.554
   97    HB   VAL  12           HB       VAL  12  -3.254  -0.979   2.041
   98   1HG1  VAL  12          1HG1      VAL  12  -5.497  -2.927   1.516
   99   2HG1  VAL  12          2HG1      VAL  12  -5.408  -1.371   0.656
  100   3HG1  VAL  12          3HG1      VAL  12  -4.079  -2.546   0.512
  101   1HG2  VAL  12          1HG2      VAL  12  -4.584   0.512   3.026
  102   2HG2  VAL  12          2HG2      VAL  12  -6.012  -0.440   2.551
  103   3HG2  VAL  12          3HG2      VAL  12  -5.212  -0.754   4.110
  104    H    GLY  13           H        GLY  13  -1.370  -1.667   2.693
  105   1HA   GLY  13          1HA       GLY  13  -0.329  -3.599   1.089
  106   2HA   GLY  13          2HA       GLY  13   0.620  -2.582   2.155
  107    H    LYS  14           H        LYS  14  -0.389  -3.529   4.704
  108    HA   LYS  14           HA       LYS  14   1.257  -5.804   4.991
  109   1HB   LYS  14          1HB       LYS  14  -0.512  -4.168   6.775
  110   2HB   LYS  14          2HB       LYS  14   0.031  -5.737   7.338
  111   1HG   LYS  14          1HG       LYS  14   2.324  -5.123   7.260
  112   2HG   LYS  14          2HG       LYS  14   2.039  -3.809   6.138
  113   1HD   LYS  14          1HD       LYS  14   0.878  -2.507   7.892
  114   2HD   LYS  14          2HD       LYS  14   1.022  -3.842   9.018
  115   1HE   LYS  14          1HE       LYS  14   2.777  -2.106   9.406
  116   2HE   LYS  14          2HE       LYS  14   3.478  -3.661   9.006
  117   1HZ   LYS  14          1HZ       LYS  14   4.388  -2.777   7.161
  118   2HZ   LYS  14          2HZ       LYS  14   2.987  -2.122   6.651
  119    H    THR  15           H        THR  15  -2.253  -5.265   4.575
  120    HA   THR  15           HA       THR  15  -3.116  -7.816   5.313
  121    HB   THR  15           HB       THR  15  -4.228  -5.405   4.451
  122    HG1  THR  15           HG1      THR  15  -5.922  -6.556   5.334
  123   1HG2  THR  15          1HG2      THR  15  -4.173  -5.895   2.074
  124   2HG2  THR  15          2HG2      THR  15  -4.630  -7.592   2.353
  125   3HG2  THR  15          3HG2      THR  15  -5.819  -6.294   2.620
  126    H    ILE  16           H        ILE  16  -2.443  -6.551   1.975
  127    HA   ILE  16           HA       ILE  16  -2.819  -8.919   0.660
  128    HB   ILE  16           HB       ILE  16  -0.731  -6.852  -0.022
  129   1HG1  ILE  16          1HG1      ILE  16  -3.003  -6.152  -1.410
  130   2HG1  ILE  16          2HG1      ILE  16  -3.660  -6.620   0.145
  131   1HG2  ILE  16          1HG2      ILE  16  -2.123  -7.736  -2.298
  132   2HG2  ILE  16          2HG2      ILE  16  -0.442  -8.094  -1.837
  133   3HG2  ILE  16          3HG2      ILE  16  -1.752  -9.199  -1.354
  134   1HD1  ILE  16          1HD1      ILE  16  -1.517  -5.154   0.990
  135   2HD1  ILE  16          2HD1      ILE  16  -1.871  -4.336  -0.551
  136   3HD1  ILE  16          3HD1      ILE  16  -3.128  -4.455   0.703
  137    H    HIS  17           H        HIS  17   0.322  -7.615   1.947
  138    HA   HIS  17           HA       HIS  17   1.815  -9.843   1.305
  139   1HB   HIS  17          1HB       HIS  17   2.193  -7.919   3.617
  140   2HB   HIS  17          2HB       HIS  17   3.415  -8.999   2.976
  141    HD1  HIS  17           HD1      HIS  17   3.641  -5.829   3.022
  142    HD2  HIS  17           HD2      HIS  17   2.533  -8.163  -0.282
  143    HE1  HIS  17           HE1      HIS  17   4.156  -4.427   0.953
  144    H    ARG  18           H        ARG  18  -0.709  -9.447   3.643
  145    HA   ARG  18           HA       ARG  18   0.289 -11.471   5.379
  146   1HB   ARG  18          1HB       ARG  18  -1.705  -9.429   5.498
  147   2HB   ARG  18          2HB       ARG  18  -2.574 -10.940   5.670
  148   1HG   ARG  18          1HG       ARG  18  -1.987 -10.726   7.881
  149   2HG   ARG  18          2HG       ARG  18  -0.484 -11.452   7.347
  150   1HD   ARG  18          1HD       ARG  18   0.557  -9.234   7.082
  151   2HD   ARG  18          2HD       ARG  18  -0.964  -8.435   7.426
  152    HE   ARG  18           HE       ARG  18  -0.560 -10.041   9.656
  153   1HH1  ARG  18          1HH1      ARG  18   1.372  -7.556   8.029
  154   2HH1  ARG  18          2HH1      ARG  18   2.183  -7.063   9.477
  155   1HH2  ARG  18          1HH2      ARG  18   1.661  -8.154  11.545
  156    H    LEU  19           H        LEU  19  -1.710 -11.215   2.489
  157    HA   LEU  19           HA       LEU  19  -2.467 -14.037   2.808
  158   1HB   LEU  19          1HB       LEU  19  -4.035 -11.712   2.224
  159   2HB   LEU  19          2HB       LEU  19  -4.056 -12.775   0.830
  160    HG   LEU  19           HG       LEU  19  -4.707 -14.655   2.429
  161   1HD1  LEU  19          1HD1      LEU  19  -4.005 -13.549   4.508
  162   2HD1  LEU  19          2HD1      LEU  19  -5.285 -12.330   4.287
  163   3HD1  LEU  19          3HD1      LEU  19  -5.716 -14.037   4.554
  164   1HD2  LEU  19          1HD2      LEU  19  -7.077 -14.002   2.435
  165   2HD2  LEU  19          2HD2      LEU  19  -6.613 -12.331   2.035
  166   3HD2  LEU  19          3HD2      LEU  19  -6.287 -13.646   0.880
  167    H    VAL  20           H        VAL  20  -0.125 -12.186   1.528
  168    HA   VAL  20           HA       VAL  20  -0.103 -12.598  -1.181
  169    HB   VAL  20           HB       VAL  20   1.476 -11.188  -0.071
  170   1HG1  VAL  20          1HG1      VAL  20   2.920 -11.778   1.612
  171   2HG1  VAL  20          2HG1      VAL  20   1.598 -12.923   1.937
  172   3HG1  VAL  20          3HG1      VAL  20   3.050 -13.466   1.064
  173   1HG2  VAL  20          1HG2      VAL  20   3.287 -11.598  -1.420
  174   2HG2  VAL  20          2HG2      VAL  20   3.303 -13.342  -1.061
  175   3HG2  VAL  20          3HG2      VAL  20   2.093 -12.676  -2.183
  176    H    THR  21           H        THR  21   1.302 -14.751   1.392
  177    HA   THR  21           HA       THR  21   1.884 -16.815  -0.476
  178    HB   THR  21           HB       THR  21   2.215 -16.192   2.386
  179    HG1  THR  21           HG1      THR  21   4.177 -17.232   1.788
  180   1HG2  THR  21          1HG2      THR  21   1.870 -19.122   1.568
  181   2HG2  THR  21          2HG2      THR  21   2.353 -18.513   3.169
  182   3HG2  THR  21          3HG2      THR  21   0.698 -18.237   2.574
  183    H    GLY  22           H        GLY  22  -1.053 -15.617   0.273
  184   1HA   GLY  22          1HA       GLY  22  -2.417 -18.133   0.783
  185   2HA   GLY  22          2HA       GLY  22  -3.125 -16.536   0.642
  Start of MODEL    4
    1   1H    PHE   1          1H        PHE   1  -4.909  18.589   5.912
    2    HA   PHE   1           HA       PHE   1  -5.908  17.568   4.006
    3   1HB   PHE   1          1HB       PHE   1  -2.917  18.070   4.149
    4   2HB   PHE   1          2HB       PHE   1  -3.529  17.387   2.656
    5    HD1  PHE   1           HD1      PHE   1  -5.537  18.655   1.562
    6    HD2  PHE   1           HD2      PHE   1  -2.931  20.372   4.438
    7    HE1  PHE   1           HE1      PHE   1  -6.184  20.949   0.779
    8    HE2  PHE   1           HE2      PHE   1  -3.578  22.667   3.654
    9    HZ   PHE   1           HZ       PHE   1  -5.198  22.928   1.833
   10    H    PHE   2           H        PHE   2  -2.928  15.775   5.068
   11    HA   PHE   2           HA       PHE   2  -4.277  13.329   4.193
   12   1HB   PHE   2          1HB       PHE   2  -1.282  13.905   3.896
   13   2HB   PHE   2          2HB       PHE   2  -2.195  12.629   3.114
   14    HD1  PHE   2           HD1      PHE   2  -0.813  15.845   2.718
   15    HD2  PHE   2           HD2      PHE   2  -4.067  13.428   1.464
   16    HE1  PHE   2           HE1      PHE   2  -1.113  17.301   0.696
   17    HE2  PHE   2           HE2      PHE   2  -4.369  14.885  -0.558
   18    HZ   PHE   2           HZ       PHE   2  -2.888  16.803  -0.918
   19    H    HIS   3           H        HIS   3  -4.379  14.188   6.827
   20    HA   HIS   3           HA       HIS   3  -2.216  13.488   8.402
   21   1HB   HIS   3          1HB       HIS   3  -4.533  14.683   8.885
   22   2HB   HIS   3          2HB       HIS   3  -5.022  13.071   9.369
   23    HD1  HIS   3           HD1      HIS   3  -4.012  12.098  11.553
   24    HD2  HIS   3           HD2      HIS   3  -2.572  15.909  10.555
   25    HE1  HIS   3           HE1      HIS   3  -2.767  12.951  13.609
   26    H    HIS   4           H        HIS   4  -5.251  11.537   7.905
   27    HA   HIS   4           HA       HIS   4  -3.570   9.170   8.295
   28   1HB   HIS   4          1HB       HIS   4  -5.990  10.011   9.560
   29   2HB   HIS   4          2HB       HIS   4  -6.352   8.582   8.613
   30    HD1  HIS   4           HD1      HIS   4  -5.745   6.366   9.638
   31    HD2  HIS   4           HD2      HIS   4  -3.731   9.570  11.446
   32    HE1  HIS   4           HE1      HIS   4  -4.495   5.388  11.636
   33    H    ILE   5           H        ILE   5  -3.068   9.642   5.903
   34    HA   ILE   5           HA       ILE   5  -5.211   8.478   4.263
   35    HB   ILE   5           HB       ILE   5  -3.164  10.595   3.644
   36   1HG1  ILE   5          1HG1      ILE   5  -5.277  11.339   4.653
   37   2HG1  ILE   5          2HG1      ILE   5  -5.093  11.918   3.009
   38   1HG2  ILE   5          1HG2      ILE   5  -4.568  10.258   1.311
   39   2HG2  ILE   5          2HG2      ILE   5  -2.920   9.663   1.626
   40   3HG2  ILE   5          3HG2      ILE   5  -4.315   8.580   1.847
   41   1HD1  ILE   5          1HD1      ILE   5  -7.289  11.138   2.937
   42   2HD1  ILE   5          2HD1      ILE   5  -6.419   9.683   2.396
   43   3HD1  ILE   5          3HD1      ILE   5  -6.967   9.816   4.084
   44    H    PHE   6           H        PHE   6  -1.697   9.042   3.651
   45    HA   PHE   6           HA       PHE   6  -1.359   6.553   2.458
   46   1HB   PHE   6          1HB       PHE   6   0.035   8.918   2.761
   47   2HB   PHE   6          2HB       PHE   6   0.905   7.930   3.917
   48    HD1  PHE   6           HD1      PHE   6   0.702   8.896   0.544
   49    HD2  PHE   6           HD2      PHE   6   1.710   5.594   3.011
   50    HE1  PHE   6           HE1      PHE   6   2.073   7.923  -1.318
   51    HE2  PHE   6           HE2      PHE   6   3.081   4.620   1.148
   52    HZ   PHE   6           HZ       PHE   6   3.247   5.797  -0.995
   53    H    ARG   7           H        ARG   7  -1.667   7.412   5.797
   54    HA   ARG   7           HA       ARG   7  -0.006   5.313   6.743
   55   1HB   ARG   7          1HB       ARG   7  -1.851   7.365   7.973
   56   2HB   ARG   7          2HB       ARG   7  -1.433   5.966   8.942
   57   1HG   ARG   7          1HG       ARG   7   1.054   6.625   8.017
   58   2HG   ARG   7          2HG       ARG   7   0.311   8.212   7.993
   59   1HD   ARG   7          1HD       ARG   7  -0.507   7.154  10.468
   60   2HD   ARG   7          2HD       ARG   7   1.138   6.572  10.303
   61    HE   ARG   7           HE       ARG   7   1.938   8.790  10.423
   62   1HH1  ARG   7          1HH1      ARG   7  -1.590   8.799  10.093
   63   2HH1  ARG   7          2HH1      ARG   7  -1.743  10.486  10.453
   64   1HH2  ARG   7          1HH2      ARG   7   0.225  11.770  10.924
   65    H    GLY   8           H        GLY   8  -3.295   5.694   5.627
   66   1HA   GLY   8          1HA       GLY   8  -4.422   3.509   7.126
   67   2HA   GLY   8          2HA       GLY   8  -5.160   4.407   5.815
   68    H    ILE   9           H        ILE   9  -2.488   3.895   4.220
   69    HA   ILE   9           HA       ILE   9  -3.459   1.459   3.026
   70    HB   ILE   9           HB       ILE   9  -1.459   3.568   2.316
   71   1HG1  ILE   9          1HG1      ILE   9  -3.828   3.912   1.767
   72   2HG1  ILE   9          2HG1      ILE   9  -2.830   3.793   0.331
   73   1HG2  ILE   9          1HG2      ILE   9  -0.178   1.698   1.731
   74   2HG2  ILE   9          2HG2      ILE   9  -1.599   0.776   1.185
   75   3HG2  ILE   9          3HG2      ILE   9  -1.011   2.156   0.226
   76   1HD1  ILE   9          1HD1      ILE   9  -4.832   1.819   1.424
   77   2HD1  ILE   9          2HD1      ILE   9  -4.591   2.375  -0.250
   78   3HD1  ILE   9          3HD1      ILE   9  -3.459   1.206   0.470
   79    H    VAL  10           H        VAL  10  -1.813   1.966   5.776
   80    HA   VAL  10           HA       VAL  10   0.444   0.257   5.330
   81    HB   VAL  10           HB       VAL  10  -0.820   1.571   7.728
   82   1HG1  VAL  10          1HG1      VAL  10   0.094   0.013   9.048
   83   2HG1  VAL  10          2HG1      VAL  10   0.954  -0.742   7.685
   84   3HG1  VAL  10          3HG1      VAL  10   1.682   0.639   8.540
   85   1HG2  VAL  10          1HG2      VAL  10   0.405   3.094   6.341
   86   2HG2  VAL  10          2HG2      VAL  10   1.406   2.749   7.772
   87   3HG2  VAL  10          3HG2      VAL  10   1.780   1.969   6.217
   88    H    HIS  11           H        HIS  11  -2.775   0.019   6.974
   89    HA   HIS  11           HA       HIS  11  -2.391  -2.645   7.765
   90   1HB   HIS  11          1HB       HIS  11  -5.005  -1.184   7.300
   91   2HB   HIS  11          2HB       HIS  11  -4.764  -2.615   8.283
   92    HD1  HIS  11           HD1      HIS  11  -2.592  -2.024  10.180
   93    HD2  HIS  11           HD2      HIS  11  -5.247   0.974   8.934
   94    HE1  HIS  11           HE1      HIS  11  -2.503  -0.203  11.965
   95    H    VAL  12           H        VAL  12  -3.434  -1.088   4.756
   96    HA   VAL  12           HA       VAL  12  -4.651  -3.393   3.648
   97    HB   VAL  12           HB       VAL  12  -3.421  -1.086   2.148
   98   1HG1  VAL  12          1HG1      VAL  12  -5.943  -1.779   1.117
   99   2HG1  VAL  12          2HG1      VAL  12  -4.349  -2.135   0.409
  100   3HG1  VAL  12          3HG1      VAL  12  -5.136  -3.325   1.474
  101   1HG2  VAL  12          1HG2      VAL  12  -4.634   0.066   3.793
  102   2HG2  VAL  12          2HG2      VAL  12  -5.770  -0.052   2.427
  103   3HG2  VAL  12          3HG2      VAL  12  -5.935  -1.148   3.819
  104    H    GLY  13           H        GLY  13  -1.529  -1.734   2.780
  105   1HA   GLY  13          1HA       GLY  13  -0.449  -3.634   1.169
  106   2HA   GLY  13          2HA       GLY  13   0.481  -2.602   2.238
  107    H    LYS  14           H        LYS  14  -0.533  -3.598   4.779
  108    HA   LYS  14           HA       LYS  14   1.174  -5.833   5.055
  109   1HB   LYS  14          1HB       LYS  14  -0.572  -4.187   6.826
  110   2HB   LYS  14          2HB       LYS  14  -0.142  -5.787   7.393
  111   1HG   LYS  14          1HG       LYS  14   2.126  -5.284   7.558
  112   2HG   LYS  14          2HG       LYS  14   2.084  -4.140   6.232
  113   1HD   LYS  14          1HD       LYS  14   0.579  -2.692   7.862
  114   2HD   LYS  14          2HD       LYS  14   1.254  -3.713   9.117
  115   1HE   LYS  14          1HE       LYS  14   2.683  -1.766   8.951
  116   2HE   LYS  14          2HE       LYS  14   3.578  -3.112   8.273
  117   1HZ   LYS  14          1HZ       LYS  14   3.705  -1.200   6.804
  118   2HZ   LYS  14          2HZ       LYS  14   2.855  -2.362   6.044
  119    H    THR  15           H        THR  15  -2.351  -5.370   4.656
  120    HA   THR  15           HA       THR  15  -3.151  -7.946   5.367
  121    HB   THR  15           HB       THR  15  -4.326  -5.558   4.547
  122    HG1  THR  15           HG1      THR  15  -5.443  -8.271   4.507
  123   1HG2  THR  15          1HG2      THR  15  -4.248  -6.000   2.159
  124   2HG2  THR  15          2HG2      THR  15  -4.675  -7.711   2.404
  125   3HG2  THR  15          3HG2      THR  15  -5.889  -6.440   2.693
  126    H    ILE  16           H        ILE  16  -2.510  -6.630   2.044
  127    HA   ILE  16           HA       ILE  16  -2.839  -8.995   0.704
  128    HB   ILE  16           HB       ILE  16  -0.806  -6.870   0.036
  129   1HG1  ILE  16          1HG1      ILE  16  -3.098  -6.214  -1.340
  130   2HG1  ILE  16          2HG1      ILE  16  -3.741  -6.717   0.210
  131   1HG2  ILE  16          1HG2      ILE  16  -0.479  -8.132  -1.762
  132   2HG2  ILE  16          2HG2      ILE  16  -1.821  -9.218  -1.329
  133   3HG2  ILE  16          3HG2      ILE  16  -2.141  -7.734  -2.259
  134   1HD1  ILE  16          1HD1      ILE  16  -3.262  -4.554   0.808
  135   2HD1  ILE  16          2HD1      ILE  16  -1.625  -5.203   1.060
  136   3HD1  ILE  16          3HD1      ILE  16  -2.028  -4.372  -0.461
  137    H    HIS  17           H        HIS  17   0.273  -7.628   1.997
  138    HA   HIS  17           HA       HIS  17   1.817  -9.813   1.325
  139   1HB   HIS  17          1HB       HIS  17   2.163  -7.906   3.656
  140   2HB   HIS  17          2HB       HIS  17   3.407  -8.945   2.990
  141    HD1  HIS  17           HD1      HIS  17   3.558  -5.773   3.077
  142    HD2  HIS  17           HD2      HIS  17   2.468  -8.086  -0.248
  143    HE1  HIS  17           HE1      HIS  17   4.014  -4.331   1.022
  144    H    ARG  18           H        ARG  18  -0.711  -9.508   3.667
  145    HA   ARG  18           HA       ARG  18   0.345 -11.515   5.388
  146   1HB   ARG  18          1HB       ARG  18  -1.700  -9.528   5.529
  147   2HB   ARG  18          2HB       ARG  18  -2.533 -11.062   5.681
  148   1HG   ARG  18          1HG       ARG  18  -1.039 -11.735   7.534
  149   2HG   ARG  18          2HG       ARG  18  -0.093 -10.272   7.341
  150   1HD   ARG  18          1HD       ARG  18  -2.059  -8.881   7.945
  151   2HD   ARG  18          2HD       ARG  18  -3.069 -10.310   8.046
  152    HE   ARG  18           HE       ARG  18  -2.064 -10.881  10.109
  153   1HH1  ARG  18          1HH1      ARG  18  -0.320  -8.184   8.611
  154   2HH1  ARG  18          2HH1      ARG  18   0.598  -7.824  10.036
  155   1HH2  ARG  18          1HH2      ARG  18   0.268  -9.144  12.009
  156    H    LEU  19           H        LEU  19  -1.681 -11.286   2.510
  157    HA   LEU  19           HA       LEU  19  -2.353 -14.133   2.804
  158   1HB   LEU  19          1HB       LEU  19  -3.975 -11.834   2.205
  159   2HB   LEU  19          2HB       LEU  19  -3.992 -12.938   0.843
  160    HG   LEU  19           HG       LEU  19  -4.355 -14.595   3.066
  161   1HD1  LEU  19          1HD1      LEU  19  -6.552 -12.736   3.518
  162   2HD1  LEU  19          2HD1      LEU  19  -5.496 -13.574   4.681
  163   3HD1  LEU  19          3HD1      LEU  19  -4.972 -12.038   3.951
  164   1HD2  LEU  19          1HD2      LEU  19  -6.616 -13.492   1.402
  165   2HD2  LEU  19          2HD2      LEU  19  -5.391 -14.590   0.723
  166   3HD2  LEU  19          3HD2      LEU  19  -6.413 -15.126   2.079
  167    H    VAL  20           H        VAL  20  -0.073 -12.196   1.527
  168    HA   VAL  20           HA       VAL  20  -0.045 -12.587  -1.183
  169    HB   VAL  20           HB       VAL  20   1.498 -11.145  -0.066
  170   1HG1  VAL  20          1HG1      VAL  20   1.671 -12.893   1.928
  171   2HG1  VAL  20          2HG1      VAL  20   3.136 -13.389   1.048
  172   3HG1  VAL  20          3HG1      VAL  20   2.961 -11.709   1.610
  173   1HG2  VAL  20          1HG2      VAL  20   2.550 -13.377  -1.734
  174   2HG2  VAL  20          2HG2      VAL  20   2.551 -11.622  -2.028
  175   3HG2  VAL  20          3HG2      VAL  20   3.750 -12.341  -0.927
  176    H    THR  21           H        THR  21   1.426 -14.725   1.366
  177    HA   THR  21           HA       THR  21   2.232 -16.727  -0.401
  178    HB   THR  21           HB       THR  21   2.527 -16.153   2.272
  179    HG1  THR  21           HG1      THR  21   3.907 -17.530   1.005
  180   1HG2  THR  21          1HG2      THR  21   1.597 -18.034   3.554
  181   2HG2  THR  21          2HG2      THR  21   0.247 -17.164   2.788
  182   3HG2  THR  21          3HG2      THR  21   0.827 -18.694   2.090
  183    H    GLY  22           H        GLY  22  -0.913 -15.660   0.238
  184   1HA   GLY  22          1HA       GLY  22  -2.960 -16.638   0.078
  185   2HA   GLY  22          2HA       GLY  22  -2.266 -17.267  -1.404
  Start of MODEL    5
    1   1H    PHE   1          1H        PHE   1   5.008  14.184   5.168
    2    HA   PHE   1           HA       PHE   1   2.569  15.305   6.318
    3   1HB   PHE   1          1HB       PHE   1   4.025  15.404   3.618
    4   2HB   PHE   1          2HB       PHE   1   2.396  16.029   3.783
    5    HD1  PHE   1           HD1      PHE   1   5.545  17.122   3.470
    6    HD2  PHE   1           HD2      PHE   1   2.330  17.500   6.213
    7    HE1  PHE   1           HE1      PHE   1   6.468  19.323   4.249
    8    HE2  PHE   1           HE2      PHE   1   3.252  19.700   6.992
    9    HZ   PHE   1           HZ       PHE   1   5.311  20.585   6.000
   10    H    PHE   2           H        PHE   2   0.551  14.417   5.954
   11    HA   PHE   2           HA       PHE   2   0.066  12.631   3.822
   12   1HB   PHE   2          1HB       PHE   2   0.624  11.650   6.663
   13   2HB   PHE   2          2HB       PHE   2  -0.498  10.755   5.657
   14    HD1  PHE   2           HD1      PHE   2   0.723  10.782   3.032
   15    HD2  PHE   2           HD2      PHE   2   2.567  10.416   6.835
   16    HE1  PHE   2           HE1      PHE   2   2.643   9.552   1.983
   17    HE2  PHE   2           HE2      PHE   2   4.487   9.188   5.787
   18    HZ   PHE   2           HZ       PHE   2   4.503   8.771   3.373
   19    H    HIS   3           H        HIS   3  -0.848  13.619   7.183
   20    HA   HIS   3           HA       HIS   3  -2.799  14.054   8.102
   21   1HB   HIS   3          1HB       HIS   3  -2.533  16.002   6.616
   22   2HB   HIS   3          2HB       HIS   3  -3.416  15.171   5.352
   23    HD1  HIS   3           HD1      HIS   3  -5.916  15.469   5.332
   24    HD2  HIS   3           HD2      HIS   3  -4.206  16.509   9.019
   25    HE1  HIS   3           HE1      HIS   3  -7.794  16.480   6.732
   26    H    HIS   4           H        HIS   4  -2.668  11.408   7.585
   27    HA   HIS   4           HA       HIS   4  -3.923   9.612   7.439
   28   1HB   HIS   4          1HB       HIS   4  -6.256  11.524   7.139
   29   2HB   HIS   4          2HB       HIS   4  -6.392   9.801   7.427
   30    HD1  HIS   4           HD1      HIS   4  -7.721  10.612   9.645
   31    HD2  HIS   4           HD2      HIS   4  -3.599  11.380   9.560
   32    HE1  HIS   4           HE1      HIS   4  -7.036  11.110  12.052
   33    H    ILE   5           H        ILE   5  -2.748   9.105   5.477
   34    HA   ILE   5           HA       ILE   5  -4.540   8.976   3.207
   35    HB   ILE   5           HB       ILE   5  -1.944  10.493   3.196
   36   1HG1  ILE   5          1HG1      ILE   5  -4.728  11.146   2.185
   37   2HG1  ILE   5          2HG1      ILE   5  -3.998  11.757   3.656
   38   1HG2  ILE   5          1HG2      ILE   5  -1.853   8.804   1.400
   39   2HG2  ILE   5          2HG2      ILE   5  -3.396   9.421   0.762
   40   3HG2  ILE   5          3HG2      ILE   5  -1.956  10.467   0.773
   41   1HD1  ILE   5          1HD1      ILE   5  -2.981  12.229   0.816
   42   2HD1  ILE   5          2HD1      ILE   5  -3.760  13.428   1.877
   43   3HD1  ILE   5          3HD1      ILE   5  -2.152  12.784   2.290
   44    H    PHE   6           H        PHE   6  -0.959   8.586   3.530
   45    HA   PHE   6           HA       PHE   6  -1.159   5.949   2.467
   46   1HB   PHE   6          1HB       PHE   6   0.740   7.535   2.042
   47   2HB   PHE   6          2HB       PHE   6   1.070   7.630   3.760
   48    HD1  PHE   6           HD1      PHE   6   2.258   5.861   4.899
   49    HD2  PHE   6           HD2      PHE   6   1.339   5.527   0.769
   50    HE1  PHE   6           HE1      PHE   6   3.871   3.949   4.694
   51    HE2  PHE   6           HE2      PHE   6   2.953   3.615   0.564
   52    HZ   PHE   6           HZ       PHE   6   4.199   2.848   2.530
   53    H    ARG   7           H        ARG   7  -1.360   7.354   5.640
   54    HA   ARG   7           HA       ARG   7  -0.176   5.305   7.085
   55   1HB   ARG   7          1HB       ARG   7  -2.146   7.516   7.673
   56   2HB   ARG   7          2HB       ARG   7  -1.970   6.252   8.875
   57   1HG   ARG   7          1HG       ARG   7   0.615   7.275   7.817
   58   2HG   ARG   7          2HG       ARG   7  -0.333   8.483   8.660
   59   1HD   ARG   7          1HD       ARG   7  -0.606   6.731  10.558
   60   2HD   ARG   7          2HD       ARG   7   0.641   5.806   9.745
   61    HE   ARG   7           HE       ARG   7   1.756   8.337   9.937
   62   1HH1  ARG   7          1HH1      ARG   7   0.347   6.098  12.294
   63   2HH1  ARG   7          2HH1      ARG   7   1.330   6.662  13.603
   64   1HH2  ARG   7          1HH2      ARG   7   2.915   8.417  13.210
   65    H    GLY   8           H        GLY   8  -3.205   5.550   5.355
   66   1HA   GLY   8          1HA       GLY   8  -4.528   3.458   6.887
   67   2HA   GLY   8          2HA       GLY   8  -5.161   4.350   5.518
   68    H    ILE   9           H        ILE   9  -2.419   3.824   4.091
   69    HA   ILE   9           HA       ILE   9  -3.300   1.351   2.895
   70    HB   ILE   9           HB       ILE   9  -1.234   3.429   2.233
   71   1HG1  ILE   9          1HG1      ILE   9  -3.748   3.674   1.742
   72   2HG1  ILE   9          2HG1      ILE   9  -2.611   3.994   0.447
   73   1HG2  ILE   9          1HG2      ILE   9  -0.838   2.038   0.135
   74   2HG2  ILE   9          2HG2      ILE   9  -0.079   1.467   1.640
   75   3HG2  ILE   9          3HG2      ILE   9  -1.554   0.677   1.032
   76   1HD1  ILE   9          1HD1      ILE   9  -3.037   1.879  -0.607
   77   2HD1  ILE   9          2HD1      ILE   9  -3.866   1.248   0.835
   78   3HD1  ILE   9          3HD1      ILE   9  -4.634   2.517  -0.147
   79    H    VAL  10           H        VAL  10  -1.816   1.912   5.710
   80    HA   VAL  10           HA       VAL  10   0.490   0.226   5.381
   81    HB   VAL  10           HB       VAL  10  -0.845   1.575   7.726
   82   1HG1  VAL  10          1HG1      VAL  10   1.647   0.827   8.626
   83   2HG1  VAL  10          2HG1      VAL  10   0.117   0.009   9.023
   84   3HG1  VAL  10          3HG1      VAL  10   1.134  -0.601   7.696
   85   1HG2  VAL  10          1HG2      VAL  10   0.454   2.917   5.992
   86   2HG2  VAL  10          2HG2      VAL  10   0.980   3.089   7.684
   87   3HG2  VAL  10          3HG2      VAL  10   1.908   2.063   6.564
   88    H    HIS  11           H        HIS  11  -2.756   0.044   6.986
   89    HA   HIS  11           HA       HIS  11  -2.374  -2.613   7.831
   90   1HB   HIS  11          1HB       HIS  11  -4.993  -1.160   7.389
   91   2HB   HIS  11          2HB       HIS  11  -4.717  -2.552   8.417
   92    HD1  HIS  11           HD1      HIS  11  -2.453  -1.846  10.198
   93    HD2  HIS  11           HD2      HIS  11  -5.259   1.026   8.982
   94    HE1  HIS  11           HE1      HIS  11  -2.345   0.034  11.921
   95    H    VAL  12           H        VAL  12  -3.542  -1.075   4.841
   96    HA   VAL  12           HA       VAL  12  -4.745  -3.412   3.788
   97    HB   VAL  12           HB       VAL  12  -3.630  -1.086   2.230
   98   1HG1  VAL  12          1HG1      VAL  12  -6.006  -1.646   1.102
   99   2HG1  VAL  12          2HG1      VAL  12  -4.493  -2.459   0.631
  100   3HG1  VAL  12          3HG1      VAL  12  -5.617  -3.255   1.759
  101   1HG2  VAL  12          1HG2      VAL  12  -6.369  -0.626   2.846
  102   2HG2  VAL  12          2HG2      VAL  12  -5.528  -0.958   4.380
  103   3HG2  VAL  12          3HG2      VAL  12  -4.951   0.346   3.312
  104    H    GLY  13           H        GLY  13  -1.695  -1.685   2.805
  105   1HA   GLY  13          1HA       GLY  13  -0.633  -3.558   1.151
  106   2HA   GLY  13          2HA       GLY  13   0.312  -2.509   2.188
  107    H    LYS  14           H        LYS  14  -0.548  -3.515   4.765
  108    HA   LYS  14           HA       LYS  14   1.198  -5.722   4.966
  109   1HB   LYS  14          1HB       LYS  14  -0.581  -4.198   6.845
  110   2HB   LYS  14          2HB       LYS  14   0.101  -5.726   7.363
  111   1HG   LYS  14          1HG       LYS  14   2.337  -4.950   7.175
  112   2HG   LYS  14          2HG       LYS  14   1.902  -3.656   6.078
  113   1HD   LYS  14          1HD       LYS  14   0.648  -2.524   7.952
  114   2HD   LYS  14          2HD       LYS  14   1.167  -3.796   9.040
  115   1HE   LYS  14          1HE       LYS  14   3.255  -2.298   7.438
  116   2HE   LYS  14          2HE       LYS  14   2.557  -1.529   8.850
  117   1HZ   LYS  14          1HZ       LYS  14   3.237  -3.465  10.171
  118   2HZ   LYS  14          2HZ       LYS  14   3.870  -4.196   8.861
  119    H    THR  15           H        THR  15  -2.347  -5.326   4.704
  120    HA   THR  15           HA       THR  15  -3.074  -7.914   5.452
  121    HB   THR  15           HB       THR  15  -4.317  -5.546   4.657
  122    HG1  THR  15           HG1      THR  15  -6.219  -7.032   4.977
  123   1HG2  THR  15          1HG2      THR  15  -4.715  -7.732   2.558
  124   2HG2  THR  15          2HG2      THR  15  -5.943  -6.486   2.884
  125   3HG2  THR  15          3HG2      THR  15  -4.338  -6.016   2.277
  126    H    ILE  16           H        ILE  16  -2.587  -6.601   2.101
  127    HA   ILE  16           HA       ILE  16  -2.921  -8.976   0.784
  128    HB   ILE  16           HB       ILE  16  -0.952  -6.817   0.035
  129   1HG1  ILE  16          1HG1      ILE  16  -3.302  -6.210  -1.262
  130   2HG1  ILE  16          2HG1      ILE  16  -3.883  -6.720   0.311
  131   1HG2  ILE  16          1HG2      ILE  16  -0.895  -7.700  -2.024
  132   2HG2  ILE  16          2HG2      ILE  16  -1.461  -9.185  -1.221
  133   3HG2  ILE  16          3HG2      ILE  16  -2.629  -8.102  -2.016
  134   1HD1  ILE  16          1HD1      ILE  16  -3.425  -4.547   0.888
  135   2HD1  ILE  16          2HD1      ILE  16  -1.767  -5.163   1.083
  136   3HD1  ILE  16          3HD1      ILE  16  -2.239  -4.344  -0.424
  137    H    HIS  17           H        HIS  17   0.213  -7.550   1.953
  138    HA   HIS  17           HA       HIS  17   1.770  -9.711   1.233
  139   1HB   HIS  17          1HB       HIS  17   2.163  -7.788   3.542
  140   2HB   HIS  17          2HB       HIS  17   3.402  -8.811   2.843
  141    HD1  HIS  17           HD1      HIS  17   3.501  -5.636   2.904
  142    HD2  HIS  17           HD2      HIS  17   2.349  -7.991  -0.368
  143    HE1  HIS  17           HE1      HIS  17   3.870  -4.201   0.826
  144    H    ARG  18           H        ARG  18  -0.672  -9.435   3.673
  145    HA   ARG  18           HA       ARG  18   0.480 -11.425   5.351
  146   1HB   ARG  18          1HB       ARG  18  -1.591  -9.470   5.567
  147   2HB   ARG  18          2HB       ARG  18  -2.387 -11.018   5.765
  148   1HG   ARG  18          1HG       ARG  18  -0.716 -11.647   7.525
  149   2HG   ARG  18          2HG       ARG  18   0.067 -10.091   7.333
  150   1HD   ARG  18          1HD       ARG  18  -1.697  -8.914   8.343
  151   2HD   ARG  18          2HD       ARG  18  -2.900 -10.104   7.887
  152    HE   ARG  18           HE       ARG  18  -0.993 -11.280   9.707
  153   1HH1  ARG  18          1HH1      ARG  18  -3.749  -9.056   9.642
  154   2HH1  ARG  18          2HH1      ARG  18  -4.196  -9.364  11.288
  155   1HH2  ARG  18          1HH2      ARG  18  -2.907 -10.916  12.582
  156    H    LEU  19           H        LEU  19  -1.647 -11.235   2.550
  157    HA   LEU  19           HA       LEU  19  -2.272 -14.087   2.878
  158   1HB   LEU  19          1HB       LEU  19  -3.959 -11.831   2.387
  159   2HB   LEU  19          2HB       LEU  19  -3.985 -12.863   0.971
  160    HG   LEU  19           HG       LEU  19  -5.798 -13.409   2.507
  161   1HD1  LEU  19          1HD1      LEU  19  -5.029 -15.214   1.149
  162   2HD1  LEU  19          2HD1      LEU  19  -3.662 -15.537   2.243
  163   3HD1  LEU  19          3HD1      LEU  19  -5.328 -15.858   2.781
  164   1HD2  LEU  19          1HD2      LEU  19  -5.569 -13.417   4.711
  165   2HD2  LEU  19          2HD2      LEU  19  -4.354 -14.716   4.617
  166   3HD2  LEU  19          3HD2      LEU  19  -3.846 -13.013   4.511
  167    H    VAL  20           H        VAL  20  -0.064 -12.133   1.517
  168    HA   VAL  20           HA       VAL  20  -0.130 -12.529  -1.193
  169    HB   VAL  20           HB       VAL  20   1.436 -11.066  -0.135
  170   1HG1  VAL  20          1HG1      VAL  20   1.702 -12.805   1.856
  171   2HG1  VAL  20          2HG1      VAL  20   3.137 -13.290   0.922
  172   3HG1  VAL  20          3HG1      VAL  20   2.968 -11.610   1.486
  173   1HG2  VAL  20          1HG2      VAL  20   2.514 -11.463  -2.074
  174   2HG2  VAL  20          2HG2      VAL  20   3.663 -12.366  -1.059
  175   3HG2  VAL  20          3HG2      VAL  20   2.362 -13.229  -1.915
  176    H    THR  21           H        THR  21   1.457 -14.643   1.305
  177    HA   THR  21           HA       THR  21   2.219 -16.640  -0.487
  178    HB   THR  21           HB       THR  21   2.615 -16.055   2.169
  179    HG1  THR  21           HG1      THR  21   3.919 -17.894   1.897
  180   1HG2  THR  21          1HG2      THR  21   0.323 -17.123   2.701
  181   2HG2  THR  21          2HG2      THR  21   1.008 -18.655   2.109
  182   3HG2  THR  21          3HG2      THR  21   1.718 -17.852   3.531
  183    H    GLY  22           H        GLY  22  -0.911 -15.607   0.265
  184   1HA   GLY  22          1HA       GLY  22  -2.950 -16.606   0.184
  185   2HA   GLY  22          2HA       GLY  22  -2.304 -17.239  -1.317
  Start of MODEL    6
    1   1H    PHE   1          1H        PHE   1  -2.006  18.099   0.259
    2    HA   PHE   1           HA       PHE   1  -3.174  16.455  -1.049
    3   1HB   PHE   1          1HB       PHE   1  -0.228  16.301  -0.394
    4   2HB   PHE   1          2HB       PHE   1  -0.857  14.967  -1.340
    5    HD1  PHE   1           HD1      PHE   1  -2.516  15.882  -3.327
    6    HD2  PHE   1           HD2      PHE   1   0.750  17.981  -1.613
    7    HE1  PHE   1           HE1      PHE   1  -2.311  17.264  -5.412
    8    HE2  PHE   1           HE2      PHE   1   0.955  19.364  -3.698
    9    HZ   PHE   1           HZ       PHE   1  -0.577  18.988  -5.572
   10    H    PHE   2           H        PHE   2  -1.140  14.967   1.569
   11    HA   PHE   2           HA       PHE   2  -2.661  12.512   1.277
   12   1HB   PHE   2          1HB       PHE   2  -0.419  13.277   3.234
   13   2HB   PHE   2          2HB       PHE   2  -0.882  11.651   2.769
   14    HD1  PHE   2           HD1      PHE   2   0.824  14.711   1.654
   15    HD2  PHE   2           HD2      PHE   2  -0.081  10.669   0.731
   16    HE1  PHE   2           HE1      PHE   2   2.552  14.740  -0.166
   17    HE2  PHE   2           HE2      PHE   2   1.646  10.698  -1.089
   18    HZ   PHE   2           HZ       PHE   2   2.943  12.732  -1.517
   19    H    HIS   3           H        HIS   3  -1.818  14.961   3.823
   20    HA   HIS   3           HA       HIS   3  -2.669  15.285   5.842
   21   1HB   HIS   3          1HB       HIS   3  -4.696  15.639   3.821
   22   2HB   HIS   3          2HB       HIS   3  -5.451  15.130   5.319
   23    HD1  HIS   3           HD1      HIS   3  -3.282  17.906   3.899
   24    HD2  HIS   3           HD2      HIS   3  -5.529  17.051   7.337
   25    HE1  HIS   3           HE1      HIS   3  -3.400  20.077   5.234
   26    H    HIS   4           H        HIS   4  -1.750  12.993   6.312
   27    HA   HIS   4           HA       HIS   4  -1.946  10.990   7.207
   28   1HB   HIS   4          1HB       HIS   4  -3.547  10.783   9.058
   29   2HB   HIS   4          2HB       HIS   4  -2.680  12.306   9.087
   30    HD1  HIS   4           HD1      HIS   4  -4.044  14.492   8.600
   31    HD2  HIS   4           HD2      HIS   4  -6.332  10.976   8.614
   32    HE1  HIS   4           HE1      HIS   4  -6.486  15.229   8.683
   33    H    ILE   5           H        ILE   5  -2.350  10.138   4.976
   34    HA   ILE   5           HA       ILE   5  -4.953   8.808   4.948
   35    HB   ILE   5           HB       ILE   5  -3.762  10.527   2.805
   36   1HG1  ILE   5          1HG1      ILE   5  -6.608  10.169   3.791
   37   2HG1  ILE   5          2HG1      ILE   5  -5.502  11.403   4.363
   38   1HG2  ILE   5          1HG2      ILE   5  -5.163   9.482   1.123
   39   2HG2  ILE   5          2HG2      ILE   5  -4.028   8.291   1.803
   40   3HG2  ILE   5          3HG2      ILE   5  -5.735   8.281   2.306
   41   1HD1  ILE   5          1HD1      ILE   5  -7.078  11.330   1.895
   42   2HD1  ILE   5          2HD1      ILE   5  -6.237  12.702   2.655
   43   3HD1  ILE   5          3HD1      ILE   5  -5.353  11.616   1.557
   44    H    PHE   6           H        PHE   6  -1.597   9.050   3.625
   45    HA   PHE   6           HA       PHE   6  -1.541   6.492   2.529
   46   1HB   PHE   6          1HB       PHE   6   0.069   8.474   2.222
   47   2HB   PHE   6          2HB       PHE   6   0.678   8.177   3.838
   48    HD1  PHE   6           HD1      PHE   6   0.483   6.808   0.422
   49    HD2  PHE   6           HD2      PHE   6   2.249   6.432   4.261
   50    HE1  PHE   6           HE1      PHE   6   2.161   5.191  -0.509
   51    HE2  PHE   6           HE2      PHE   6   3.928   4.815   3.331
   52    HZ   PHE   6           HZ       PHE   6   3.864   4.213   0.956
   53    H    ARG   7           H        ARG   7  -1.565   7.549   5.841
   54    HA   ARG   7           HA       ARG   7  -0.043   5.418   6.862
   55   1HB   ARG   7          1HB       ARG   7  -0.400   7.560   8.096
   56   2HB   ARG   7          2HB       ARG   7  -2.115   7.222   8.213
   57   1HG   ARG   7          1HG       ARG   7  -1.804   5.449   9.750
   58   2HG   ARG   7          2HG       ARG   7  -0.142   5.179   9.263
   59   1HD   ARG   7          1HD       ARG   7   0.653   6.695  10.774
   60   2HD   ARG   7          2HD       ARG   7  -0.516   7.909  10.294
   61    HE   ARG   7           HE       ARG   7  -0.718   6.165  12.582
   62   1HH1  ARG   7          1HH1      ARG   7  -2.720   7.695  10.091
   63   2HH1  ARG   7          2HH1      ARG   7  -4.149   7.705  11.068
   64   1HH2  ARG   7          1HH2      ARG   7  -4.058   6.808  13.288
   65    H    GLY   8           H        GLY   8  -3.147   5.613   5.450
   66   1HA   GLY   8          1HA       GLY   8  -4.352   3.524   7.096
   67   2HA   GLY   8          2HA       GLY   8  -5.103   4.425   5.794
   68    H    ILE   9           H        ILE   9  -2.425   3.905   4.194
   69    HA   ILE   9           HA       ILE   9  -3.414   1.477   2.992
   70    HB   ILE   9           HB       ILE   9  -2.197   3.794   2.077
   71   1HG1  ILE   9          1HG1      ILE   9  -3.842   2.123   1.011
   72   2HG1  ILE   9          2HG1      ILE   9  -2.723   2.976  -0.033
   73   1HG2  ILE   9          1HG2      ILE   9  -0.131   3.211   1.066
   74   2HG2  ILE   9          2HG2      ILE   9  -0.011   2.744   2.779
   75   3HG2  ILE   9          3HG2      ILE   9  -0.299   1.503   1.535
   76   1HD1  ILE   9          1HD1      ILE   9  -2.118   0.213   1.105
   77   2HD1  ILE   9          2HD1      ILE   9  -2.923   0.465  -0.462
   78   3HD1  ILE   9          3HD1      ILE   9  -1.264   1.057  -0.209
   79    H    VAL  10           H        VAL  10  -1.783   1.947   5.744
   80    HA   VAL  10           HA       VAL  10   0.476   0.237   5.279
   81    HB   VAL  10           HB       VAL  10  -0.761   1.568   7.681
   82   1HG1  VAL  10          1HG1      VAL  10   1.128   0.722   9.026
   83   2HG1  VAL  10          2HG1      VAL  10   0.082  -0.595   8.446
   84   3HG1  VAL  10          3HG1      VAL  10   1.646  -0.285   7.654
   85   1HG2  VAL  10          1HG2      VAL  10   1.141   2.352   5.722
   86   2HG2  VAL  10          2HG2      VAL  10   0.629   3.236   7.180
   87   3HG2  VAL  10          3HG2      VAL  10   2.022   2.131   7.252
   88    H    HIS  11           H        HIS  11  -2.735   0.024   6.942
   89    HA   HIS  11           HA       HIS  11  -2.368  -2.640   7.741
   90   1HB   HIS  11          1HB       HIS  11  -4.973  -1.164   7.276
   91   2HB   HIS  11          2HB       HIS  11  -4.739  -2.594   8.261
   92    HD1  HIS  11           HD1      HIS  11  -2.558  -2.012  10.151
   93    HD2  HIS  11           HD2      HIS  11  -5.200   0.998   8.906
   94    HE1  HIS  11           HE1      HIS  11  -2.454  -0.187  11.932
   95    H    VAL  12           H        VAL  12  -3.407  -1.089   4.726
   96    HA   VAL  12           HA       VAL  12  -4.637  -3.394   3.631
   97    HB   VAL  12           HB       VAL  12  -3.409  -1.099   2.112
   98   1HG1  VAL  12          1HG1      VAL  12  -5.690  -1.556   0.845
   99   2HG1  VAL  12          2HG1      VAL  12  -4.243  -2.543   0.528
  100   3HG1  VAL  12          3HG1      VAL  12  -5.523  -3.160   1.599
  101   1HG2  VAL  12          1HG2      VAL  12  -5.896  -1.132   3.822
  102   2HG2  VAL  12          2HG2      VAL  12  -4.594   0.080   3.752
  103   3HG2  VAL  12          3HG2      VAL  12  -5.757  -0.056   2.411
  104    H    GLY  13           H        GLY  13  -1.514  -1.742   2.749
  105   1HA   GLY  13          1HA       GLY  13  -0.444  -3.650   1.138
  106   2HA   GLY  13          2HA       GLY  13   0.492  -2.616   2.200
  107    H    LYS  14           H        LYS  14  -0.501  -3.597   4.750
  108    HA   LYS  14           HA       LYS  14   1.199  -5.836   5.023
  109   1HB   LYS  14          1HB       LYS  14  -0.603  -4.254   6.824
  110   2HB   LYS  14          2HB       LYS  14  -0.004  -5.804   7.377
  111   1HG   LYS  14          1HG       LYS  14   2.101  -4.993   7.703
  112   2HG   LYS  14          2HG       LYS  14   2.136  -4.224   6.129
  113   1HD   LYS  14          1HD       LYS  14   1.526  -2.183   6.970
  114   2HD   LYS  14          2HD       LYS  14   0.308  -2.872   8.025
  115   1HE   LYS  14          1HE       LYS  14   3.302  -3.047   8.598
  116   2HE   LYS  14          2HE       LYS  14   2.284  -1.762   9.215
  117   1HZ   LYS  14          1HZ       LYS  14   2.618  -3.854  10.660
  118   2HZ   LYS  14          2HZ       LYS  14   1.105  -3.262  10.550
  119    H    THR  15           H        THR  15  -2.327  -5.367   4.637
  120    HA   THR  15           HA       THR  15  -3.130  -7.940   5.364
  121    HB   THR  15           HB       THR  15  -4.300  -5.551   4.529
  122    HG1  THR  15           HG1      THR  15  -5.295  -8.313   4.643
  123   1HG2  THR  15          1HG2      THR  15  -5.876  -6.450   2.692
  124   2HG2  THR  15          2HG2      THR  15  -4.239  -6.015   2.146
  125   3HG2  THR  15          3HG2      THR  15  -4.665  -7.723   2.409
  126    H    ILE  16           H        ILE  16  -2.500  -6.643   2.030
  127    HA   ILE  16           HA       ILE  16  -2.836  -9.014   0.705
  128    HB   ILE  16           HB       ILE  16  -0.799  -6.897   0.021
  129   1HG1  ILE  16          1HG1      ILE  16  -3.093  -6.243  -1.354
  130   2HG1  ILE  16          2HG1      ILE  16  -3.735  -6.736   0.201
  131   1HG2  ILE  16          1HG2      ILE  16  -0.823  -7.680  -2.119
  132   2HG2  ILE  16          2HG2      ILE  16  -1.138  -9.203  -1.253
  133   3HG2  ILE  16          3HG2      ILE  16  -2.484  -8.307  -1.997
  134   1HD1  ILE  16          1HD1      ILE  16  -2.014  -4.400  -0.488
  135   2HD1  ILE  16          2HD1      ILE  16  -3.249  -4.570   0.783
  136   3HD1  ILE  16          3HD1      ILE  16  -1.613  -5.223   1.038
  137    H    HIS  17           H        HIS  17   0.284  -7.648   1.980
  138    HA   HIS  17           HA       HIS  17   1.819  -9.841   1.316
  139   1HB   HIS  17          1HB       HIS  17   2.175  -7.924   3.636
  140   2HB   HIS  17          2HB       HIS  17   3.416  -8.970   2.974
  141    HD1  HIS  17           HD1      HIS  17   3.577  -5.798   3.041
  142    HD2  HIS  17           HD2      HIS  17   2.474  -8.127  -0.267
  143    HE1  HIS  17           HE1      HIS  17   4.036  -4.371   0.978
  144    H    ARG  18           H        ARG  18  -0.699  -9.513   3.668
  145    HA   ARG  18           HA       ARG  18   0.355 -11.520   5.391
  146   1HB   ARG  18          1HB       ARG  18  -1.683  -9.523   5.531
  147   2HB   ARG  18          2HB       ARG  18  -2.518 -11.054   5.700
  148   1HG   ARG  18          1HG       ARG  18  -0.963 -11.717   7.532
  149   2HG   ARG  18          2HG       ARG  18  -0.086 -10.212   7.348
  150   1HD   ARG  18          1HD       ARG  18  -1.628  -9.046   8.563
  151   2HD   ARG  18          2HD       ARG  18  -2.969  -9.728   7.667
  152    HE   ARG  18           HE       ARG  18  -3.261 -11.314   9.360
  153   1HH1  ARG  18          1HH1      ARG  18  -0.007  -9.940   9.647
  154   2HH1  ARG  18          2HH1      ARG  18   0.336 -10.747  11.141
  155   1HH2  ARG  18          1HH2      ARG  18  -1.325 -12.174  12.113
  156    H    LEU  19           H        LEU  19  -1.672 -11.296   2.517
  157    HA   LEU  19           HA       LEU  19  -2.363 -14.135   2.829
  158   1HB   LEU  19          1HB       LEU  19  -3.984 -11.844   2.263
  159   2HB   LEU  19          2HB       LEU  19  -3.986 -12.896   0.861
  160    HG   LEU  19           HG       LEU  19  -4.545 -13.967   3.628
  161   1HD1  LEU  19          1HD1      LEU  19  -6.407 -12.758   3.737
  162   2HD1  LEU  19          2HD1      LEU  19  -6.198 -12.149   2.077
  163   3HD1  LEU  19          3HD1      LEU  19  -7.010 -13.708   2.358
  164   1HD2  LEU  19          1HD2      LEU  19  -5.993 -15.506   2.027
  165   2HD2  LEU  19          2HD2      LEU  19  -4.794 -14.970   0.826
  166   3HD2  LEU  19          3HD2      LEU  19  -4.260 -15.804   2.304
  167    H    VAL  20           H        VAL  20  -0.075 -12.219   1.536
  168    HA   VAL  20           HA       VAL  20  -0.054 -12.625  -1.171
  169    HB   VAL  20           HB       VAL  20   1.502 -11.189  -0.063
  170   1HG1  VAL  20          1HG1      VAL  20   2.966 -11.755   1.611
  171   2HG1  VAL  20          2HG1      VAL  20   1.666 -12.927   1.940
  172   3HG1  VAL  20          3HG1      VAL  20   3.125 -13.440   1.059
  173   1HG2  VAL  20          1HG2      VAL  20   3.344 -11.575  -1.396
  174   2HG2  VAL  20          2HG2      VAL  20   3.342 -13.328  -1.085
  175   3HG2  VAL  20          3HG2      VAL  20   2.140 -12.619  -2.190
  176    H    THR  21           H        THR  21   1.406 -14.761   1.386
  177    HA   THR  21           HA       THR  21   2.229 -16.772  -0.341
  178    HB   THR  21           HB       THR  21   2.458 -16.220   2.325
  179    HG1  THR  21           HG1      THR  21   3.641 -17.736   0.824
  180   1HG2  THR  21          1HG2      THR  21   0.896 -18.813   2.332
  181   2HG2  THR  21          2HG2      THR  21   1.250 -17.714   3.686
  182   3HG2  THR  21          3HG2      THR  21   0.000 -17.284   2.495
  183    H    GLY  22           H        GLY  22  -0.942 -15.693   0.231
  184   1HA   GLY  22          1HA       GLY  22  -2.436 -18.034   0.304
  185   2HA   GLY  22          2HA       GLY  22  -2.947 -16.503  -0.379
  Start of MODEL    7
    1   1H    PHE   1          1H        PHE   1  -0.214  17.222   5.833
    2    HA   PHE   1           HA       PHE   1   0.027  17.239   3.385
    3   1HB   PHE   1          1HB       PHE   1   2.891  17.145   4.440
    4   2HB   PHE   1          2HB       PHE   1   2.547  16.435   2.876
    5    HD1  PHE   1           HD1      PHE   1   2.742  17.770   1.003
    6    HD2  PHE   1           HD2      PHE   1   1.973  19.618   4.745
    7    HE1  PHE   1           HE1      PHE   1   2.953  20.030  -0.070
    8    HE2  PHE   1           HE2      PHE   1   2.185  21.877   3.672
    9    HZ   PHE   1           HZ       PHE   1   2.672  22.057   1.279
   10    H    PHE   2           H        PHE   2  -1.322  15.430   3.629
   11    HA   PHE   2           HA       PHE   2  -1.894  13.321   4.099
   12   1HB   PHE   2          1HB       PHE   2  -0.347  11.732   2.745
   13   2HB   PHE   2          2HB       PHE   2  -0.979  13.099   1.848
   14    HD1  PHE   2           HD1      PHE   2   2.004  11.577   3.282
   15    HD2  PHE   2           HD2      PHE   2   0.482  14.966   1.232
   16    HE1  PHE   2           HE1      PHE   2   4.342  12.261   2.677
   17    HE2  PHE   2           HE2      PHE   2   2.820  15.650   0.625
   18    HZ   PHE   2           HZ       PHE   2   4.722  14.288   1.356
   19    H    HIS   3           H        HIS   3  -0.780  14.244   6.424
   20    HA   HIS   3           HA       HIS   3   1.249  12.307   7.182
   21   1HB   HIS   3          1HB       HIS   3   0.644  15.013   7.898
   22   2HB   HIS   3          2HB       HIS   3   0.513  14.026   9.340
   23    HD1  HIS   3           HD1      HIS   3   2.797  12.027   8.995
   24    HD2  HIS   3           HD2      HIS   3   3.145  16.100   8.056
   25    HE1  HIS   3           HE1      HIS   3   5.287  12.572   9.088
   26    H    HIS   4           H        HIS   4  -1.684  11.694   6.580
   27    HA   HIS   4           HA       HIS   4  -2.037   9.872   8.674
   28   1HB   HIS   4          1HB       HIS   4  -3.880  10.726   9.865
   29   2HB   HIS   4          2HB       HIS   4  -2.688  12.010   9.840
   30    HD1  HIS   4           HD1      HIS   4  -6.178  11.613   9.525
   31    HD2  HIS   4           HD2      HIS   4  -3.326  13.793   7.354
   32    HE1  HIS   4           HE1      HIS   4  -7.463  13.440   8.290
   33    H    ILE   5           H        ILE   5  -1.863   9.992   5.767
   34    HA   ILE   5           HA       ILE   5  -4.568   9.038   5.127
   35    HB   ILE   5           HB       ILE   5  -2.640  10.689   3.523
   36   1HG1  ILE   5          1HG1      ILE   5  -5.626  10.976   3.938
   37   2HG1  ILE   5          2HG1      ILE   5  -4.430  11.732   4.971
   38   1HG2  ILE   5          1HG2      ILE   5  -4.785  10.047   1.842
   39   2HG2  ILE   5          2HG2      ILE   5  -3.089   9.536   1.679
   40   3HG2  ILE   5          3HG2      ILE   5  -4.252   8.497   2.536
   41   1HD1  ILE   5          1HD1      ILE   5  -4.131  12.114   2.000
   42   2HD1  ILE   5          2HD1      ILE   5  -5.430  13.001   2.832
   43   3HD1  ILE   5          3HD1      ILE   5  -3.737  13.228   3.331
   44    H    PHE   6           H        PHE   6  -1.014   8.690   4.697
   45    HA   PHE   6           HA       PHE   6  -1.268   6.280   3.211
   46   1HB   PHE   6          1HB       PHE   6   0.710   7.722   2.999
   47   2HB   PHE   6          2HB       PHE   6   0.931   7.777   4.737
   48    HD1  PHE   6           HD1      PHE   6   1.812   5.786   5.934
   49    HD2  PHE   6           HD2      PHE   6   1.606   5.931   1.698
   50    HE1  PHE   6           HE1      PHE   6   3.428   3.871   5.790
   51    HE2  PHE   6           HE2      PHE   6   3.222   4.016   1.554
   52    HZ   PHE   6           HZ       PHE   6   4.114   3.009   3.601
   53    H    ARG   7           H        ARG   7  -1.817   7.028   6.479
   54    HA   ARG   7           HA       ARG   7  -0.582   4.842   7.683
   55   1HB   ARG   7          1HB       ARG   7  -1.550   6.981   8.781
   56   2HB   ARG   7          2HB       ARG   7  -3.127   6.226   8.652
   57   1HG   ARG   7          1HG       ARG   7  -2.680   5.250  10.657
   58   2HG   ARG   7          2HG       ARG   7  -1.585   4.195   9.788
   59   1HD   ARG   7          1HD       ARG   7   0.220   5.125  10.809
   60   2HD   ARG   7          2HD       ARG   7  -0.251   6.730  10.287
   61    HE   ARG   7           HE       ARG   7  -1.907   5.840  12.493
   62   1HH1  ARG   7          1HH1      ARG   7   1.297   7.155  11.747
   63   2HH1  ARG   7          2HH1      ARG   7   1.507   7.864  13.312
   64   1HH2  ARG   7          1HH2      ARG   7  -0.227   7.628  14.950
   65    H    GLY   8           H        GLY   8  -3.402   5.179   5.667
   66   1HA   GLY   8          1HA       GLY   8  -4.746   2.814   6.701
   67   2HA   GLY   8          2HA       GLY   8  -5.269   3.863   5.397
   68    H    ILE   9           H        ILE   9  -2.831   3.889   3.829
   69    HA   ILE   9           HA       ILE   9  -3.218   1.484   2.404
   70    HB   ILE   9           HB       ILE   9  -2.241   3.994   1.874
   71   1HG1  ILE   9          1HG1      ILE   9  -3.428   2.717   0.260
   72   2HG1  ILE   9          2HG1      ILE   9  -1.856   3.074  -0.426
   73   1HG2  ILE   9          1HG2      ILE   9   0.081   2.176   1.293
   74   2HG2  ILE   9          2HG2      ILE   9   0.005   3.954   1.308
   75   3HG2  ILE   9          3HG2      ILE   9  -0.027   3.049   2.840
   76   1HD1  ILE   9          1HD1      ILE   9  -1.123   0.761   0.562
   77   2HD1  ILE   9          2HD1      ILE   9  -2.870   0.445   0.692
   78   3HD1  ILE   9          3HD1      ILE   9  -2.142   0.774  -0.898
   79    H    VAL  10           H        VAL  10  -1.556   2.155   5.282
   80    HA   VAL  10           HA       VAL  10   0.666   0.401   4.807
   81    HB   VAL  10           HB       VAL  10  -0.425   1.967   7.123
   82   1HG1  VAL  10          1HG1      VAL  10   1.314   1.092   8.584
   83   2HG1  VAL  10          2HG1      VAL  10   0.267  -0.234   8.024
   84   3HG1  VAL  10          3HG1      VAL  10   1.877  -0.006   7.301
   85   1HG2  VAL  10          1HG2      VAL  10   2.413   2.195   6.561
   86   2HG2  VAL  10          2HG2      VAL  10   1.446   2.471   5.092
   87   3HG2  VAL  10          3HG2      VAL  10   1.147   3.446   6.550
   88    H    HIS  11           H        HIS  11  -2.491   0.305   6.567
   89    HA   HIS  11           HA       HIS  11  -2.077  -2.313   7.524
   90   1HB   HIS  11          1HB       HIS  11  -4.697  -0.843   7.140
   91   2HB   HIS  11          2HB       HIS  11  -4.404  -2.212   8.194
   92    HD1  HIS  11           HD1      HIS  11  -2.047  -1.492   9.854
   93    HD2  HIS  11           HD2      HIS  11  -4.876   1.380   8.695
   94    HE1  HIS  11           HE1      HIS  11  -1.841   0.426  11.523
   95    H    VAL  12           H        VAL  12  -3.341  -0.902   4.518
   96    HA   VAL  12           HA       VAL  12  -4.620  -3.263   3.622
   97    HB   VAL  12           HB       VAL  12  -3.530  -1.022   1.925
   98   1HG1  VAL  12          1HG1      VAL  12  -4.911  -3.321   1.257
   99   2HG1  VAL  12          2HG1      VAL  12  -6.203  -2.101   1.368
  100   3HG1  VAL  12          3HG1      VAL  12  -4.821  -1.836   0.278
  101   1HG2  VAL  12          1HG2      VAL  12  -6.263  -0.555   2.637
  102   2HG2  VAL  12          2HG2      VAL  12  -5.317  -0.756   4.132
  103   3HG2  VAL  12          3HG2      VAL  12  -4.840   0.472   2.934
  104    H    GLY  13           H        GLY  13  -1.585  -1.636   2.443
  105   1HA   GLY  13          1HA       GLY  13  -0.618  -3.609   0.845
  106   2HA   GLY  13          2HA       GLY  13   0.383  -2.522   1.787
  107    H    LYS  14           H        LYS  14  -0.400  -3.385   4.445
  108    HA   LYS  14           HA       LYS  14   1.332  -5.599   4.695
  109   1HB   LYS  14          1HB       LYS  14  -0.338  -3.933   6.544
  110   2HB   LYS  14          2HB       LYS  14   0.287  -5.461   7.128
  111   1HG   LYS  14          1HG       LYS  14   2.553  -4.801   6.835
  112   2HG   LYS  14          2HG       LYS  14   2.140  -3.532   5.699
  113   1HD   LYS  14          1HD       LYS  14   1.360  -2.073   7.399
  114   2HD   LYS  14          2HD       LYS  14   1.093  -3.378   8.538
  115   1HE   LYS  14          1HE       LYS  14   3.878  -2.626   7.546
  116   2HE   LYS  14          2HE       LYS  14   3.158  -1.886   8.960
  117   1HZ   LYS  14          1HZ       LYS  14   4.542  -3.880   9.461
  118   2HZ   LYS  14          2HZ       LYS  14   3.018  -4.036  10.012
  119    H    THR  15           H        THR  15  -2.216  -5.172   4.544
  120    HA   THR  15           HA       THR  15  -2.939  -7.712   5.449
  121    HB   THR  15           HB       THR  15  -4.189  -5.371   4.586
  122    HG1  THR  15           HG1      THR  15  -5.154  -6.783   6.091
  123   1HG2  THR  15          1HG2      THR  15  -4.304  -5.954   2.233
  124   2HG2  THR  15          2HG2      THR  15  -4.688  -7.651   2.611
  125   3HG2  THR  15          3HG2      THR  15  -5.890  -6.376   2.922
  126    H    ILE  16           H        ILE  16  -2.570  -6.571   2.020
  127    HA   ILE  16           HA       ILE  16  -2.978  -9.003   0.835
  128    HB   ILE  16           HB       ILE  16  -1.012  -6.913  -0.094
  129   1HG1  ILE  16          1HG1      ILE  16  -3.407  -6.331  -1.323
  130   2HG1  ILE  16          2HG1      ILE  16  -3.925  -6.750   0.297
  131   1HG2  ILE  16          1HG2      ILE  16  -2.667  -8.048  -2.144
  132   2HG2  ILE  16          2HG2      ILE  16  -0.896  -8.085  -1.971
  133   3HG2  ILE  16          3HG2      ILE  16  -1.890  -9.356  -1.219
  134   1HD1  ILE  16          1HD1      ILE  16  -1.764  -5.193   0.907
  135   2HD1  ILE  16          2HD1      ILE  16  -2.263  -4.450  -0.631
  136   3HD1  ILE  16          3HD1      ILE  16  -3.414  -4.550   0.724
  137    H    HIS  17           H        HIS  17   0.214  -7.564   1.811
  138    HA   HIS  17           HA       HIS  17   1.716  -9.778   1.143
  139   1HB   HIS  17          1HB       HIS  17   2.221  -7.749   3.336
  140   2HB   HIS  17          2HB       HIS  17   3.419  -8.823   2.642
  141    HD1  HIS  17           HD1      HIS  17   3.555  -5.648   2.543
  142    HD2  HIS  17           HD2      HIS  17   2.254  -8.148  -0.564
  143    HE1  HIS  17           HE1      HIS  17   3.861  -4.323   0.384
  144    H    ARG  18           H        ARG  18  -0.627  -9.351   3.656
  145    HA   ARG  18           HA       ARG  18   0.565 -11.270   5.387
  146   1HB   ARG  18          1HB       ARG  18  -1.469  -9.275   5.586
  147   2HB   ARG  18          2HB       ARG  18  -2.281 -10.799   5.884
  148   1HG   ARG  18          1HG       ARG  18  -0.831 -11.343   7.724
  149   2HG   ARG  18          2HG       ARG  18   0.339 -10.119   7.272
  150   1HD   ARG  18          1HD       ARG  18  -1.190  -8.316   7.899
  151   2HD   ARG  18          2HD       ARG  18  -2.515  -9.442   8.122
  152    HE   ARG  18           HE       ARG  18  -0.375  -8.887  10.019
  153   1HH1  ARG  18          1HH1      ARG  18  -2.664 -11.379   8.969
  154   2HH1  ARG  18          2HH1      ARG  18  -2.664 -12.199  10.495
  155   1HH2  ARG  18          1HH2      ARG  18  -1.309 -11.352  12.281
  156    H    LEU  19           H        LEU  19  -1.663 -11.191   2.660
  157    HA   LEU  19           HA       LEU  19  -2.313 -14.013   3.155
  158   1HB   LEU  19          1HB       LEU  19  -3.959 -11.724   2.458
  159   2HB   LEU  19          2HB       LEU  19  -4.117 -13.014   1.281
  160    HG   LEU  19           HG       LEU  19  -4.495 -13.366   4.267
  161   1HD1  LEU  19          1HD1      LEU  19  -6.165 -11.851   3.061
  162   2HD1  LEU  19          2HD1      LEU  19  -6.698 -13.319   2.206
  163   3HD1  LEU  19          3HD1      LEU  19  -6.819 -13.228   3.979
  164   1HD2  LEU  19          1HD2      LEU  19  -4.882 -15.561   3.932
  165   2HD2  LEU  19          2HD2      LEU  19  -5.636 -15.302   2.341
  166   3HD2  LEU  19          3HD2      LEU  19  -3.864 -15.306   2.496
  167    H    VAL  20           H        VAL  20  -0.134 -12.155   1.613
  168    HA   VAL  20           HA       VAL  20  -0.303 -12.689  -1.066
  169    HB   VAL  20           HB       VAL  20   1.319 -11.197  -0.142
  170   1HG1  VAL  20          1HG1      VAL  20   3.030 -13.390   0.965
  171   2HG1  VAL  20          2HG1      VAL  20   2.904 -11.682   1.447
  172   3HG1  VAL  20          3HG1      VAL  20   1.637 -12.837   1.924
  173   1HG2  VAL  20          1HG2      VAL  20   1.967 -12.094  -2.262
  174   2HG2  VAL  20          2HG2      VAL  20   3.424 -12.053  -1.240
  175   3HG2  VAL  20          3HG2      VAL  20   2.573 -13.592  -1.515
  176    H    THR  21           H        THR  21   1.347 -14.697   1.477
  177    HA   THR  21           HA       THR  21   2.054 -16.786  -0.210
  178    HB   THR  21           HB       THR  21   2.474 -16.103   2.405
  179    HG1  THR  21           HG1      THR  21   3.380 -18.348   2.413
  180   1HG2  THR  21          1HG2      THR  21   0.795 -18.649   2.530
  181   2HG2  THR  21          2HG2      THR  21   1.477 -17.718   3.885
  182   3HG2  THR  21          3HG2      THR  21   0.110 -17.061   2.951
  183    H    GLY  22           H        GLY  22  -1.071 -15.687   0.539
  184   1HA   GLY  22          1HA       GLY  22  -2.515 -18.066   0.807
  185   2HA   GLY  22          2HA       GLY  22  -3.116 -16.544   0.180
  Start of MODEL    8
    1   1H    PHE   1          1H        PHE   1   1.457  16.699   3.792
    2    HA   PHE   1           HA       PHE   1   0.343  16.801   6.039
    3   1HB   PHE   1          1HB       PHE   1  -1.769  17.844   4.061
    4   2HB   PHE   1          2HB       PHE   1  -2.180  17.312   5.678
    5    HD1  PHE   1           HD1      PHE   1  -0.932  18.508   7.629
    6    HD2  PHE   1           HD2      PHE   1  -1.210  20.067   3.692
    7    HE1  PHE   1           HE1      PHE   1  -0.453  20.811   8.507
    8    HE2  PHE   1           HE2      PHE   1  -0.731  22.370   4.570
    9    HZ   PHE   1           HZ       PHE   1  -0.358  22.714   6.966
   10    H    PHE   2           H        PHE   2  -0.508  14.810   6.672
   11    HA   PHE   2           HA       PHE   2  -1.269  13.054   4.445
   12   1HB   PHE   2          1HB       PHE   2   0.256  12.712   7.077
   13   2HB   PHE   2          2HB       PHE   2  -0.472  11.314   6.311
   14    HD1  PHE   2           HD1      PHE   2   0.225  10.786   3.900
   15    HD2  PHE   2           HD2      PHE   2   2.361  13.473   6.395
   16    HE1  PHE   2           HE1      PHE   2   2.251  10.530   2.441
   17    HE2  PHE   2           HE2      PHE   2   4.388  13.217   4.936
   18    HZ   PHE   2           HZ       PHE   2   4.309  11.748   2.976
   19    H    HIS   3           H        HIS   3  -1.668  13.504   8.035
   20    HA   HIS   3           HA       HIS   3  -3.410  13.269   9.349
   21   1HB   HIS   3          1HB       HIS   3  -4.841  13.744   6.744
   22   2HB   HIS   3          2HB       HIS   3  -5.750  13.361   8.193
   23    HD1  HIS   3           HD1      HIS   3  -4.146  15.015  10.289
   24    HD2  HIS   3           HD2      HIS   3  -5.297  16.442   6.516
   25    HE1  HIS   3           HE1      HIS   3  -4.190  17.560  10.470
   26    H    HIS   4           H        HIS   4  -4.728  11.524   6.454
   27    HA   HIS   4           HA       HIS   4  -4.107   8.999   7.642
   28   1HB   HIS   4          1HB       HIS   4  -6.405   8.215   7.855
   29   2HB   HIS   4          2HB       HIS   4  -6.085   9.558   8.936
   30    HD1  HIS   4           HD1      HIS   4  -7.450  11.714   8.617
   31    HD2  HIS   4           HD2      HIS   4  -8.150   8.834   5.649
   32    HE1  HIS   4           HE1      HIS   4  -9.482  12.522   7.303
   33    H    ILE   5           H        ILE   5  -3.016   9.815   5.382
   34    HA   ILE   5           HA       ILE   5  -4.763   8.971   3.198
   35    HB   ILE   5           HB       ILE   5  -2.201  10.538   3.341
   36   1HG1  ILE   5          1HG1      ILE   5  -4.830  11.236   2.018
   37   2HG1  ILE   5          2HG1      ILE   5  -4.489  11.603   3.698
   38   1HG2  ILE   5          1HG2      ILE   5  -3.343   9.018   1.033
   39   2HG2  ILE   5          2HG2      ILE   5  -2.616  10.616   0.737
   40   3HG2  ILE   5          3HG2      ILE   5  -1.648   9.322   1.484
   41   1HD1  ILE   5          1HD1      ILE   5  -2.468  12.412   1.602
   42   2HD1  ILE   5          2HD1      ILE   5  -3.946  13.383   1.808
   43   3HD1  ILE   5          3HD1      ILE   5  -2.825  13.167   3.175
   44    H    PHE   6           H        PHE   6  -1.189   8.653   3.589
   45    HA   PHE   6           HA       PHE   6  -1.356   5.986   2.559
   46   1HB   PHE   6          1HB       PHE   6   0.480   8.117   2.640
   47   2HB   PHE   6          2HB       PHE   6   1.160   7.016   3.822
   48    HD1  PHE   6           HD1      PHE   6   0.981   7.826   0.393
   49    HD2  PHE   6           HD2      PHE   6   1.449   4.540   3.037
   50    HE1  PHE   6           HE1      PHE   6   2.028   6.488  -1.455
   51    HE2  PHE   6           HE2      PHE   6   2.496   3.203   1.188
   52    HZ   PHE   6           HZ       PHE   6   2.773   4.193  -1.035
   53    H    ARG   7           H        ARG   7  -1.448   7.488   5.693
   54    HA   ARG   7           HA       ARG   7  -0.146   5.500   7.133
   55   1HB   ARG   7          1HB       ARG   7  -2.102   7.712   7.767
   56   2HB   ARG   7          2HB       ARG   7  -1.839   6.492   8.997
   57   1HG   ARG   7          1HG       ARG   7   0.736   6.940   8.486
   58   2HG   ARG   7          2HG       ARG   7   0.147   8.449   7.817
   59   1HD   ARG   7          1HD       ARG   7   0.028   9.308   9.915
   60   2HD   ARG   7          2HD       ARG   7  -1.202   8.127  10.316
   61    HE   ARG   7           HE       ARG   7   0.426   6.794  11.393
   62   1HH1  ARG   7          1HH1      ARG   7   2.001   9.420   9.610
   63   2HH1  ARG   7          2HH1      ARG   7   3.549   9.152  10.339
   64   1HH2  ARG   7          1HH2      ARG   7   3.801   7.395  11.949
   65    H    GLY   8           H        GLY   8  -3.164   5.551   5.451
   66   1HA   GLY   8          1HA       GLY   8  -4.371   3.484   7.150
   67   2HA   GLY   8          2HA       GLY   8  -5.150   4.391   5.869
   68    H    ILE   9           H        ILE   9  -2.502   3.930   4.214
   69    HA   ILE   9           HA       ILE   9  -3.475   1.504   3.000
   70    HB   ILE   9           HB       ILE   9  -2.254   3.849   2.117
   71   1HG1  ILE   9          1HG1      ILE   9  -3.984   2.456   0.993
   72   2HG1  ILE   9          2HG1      ILE   9  -2.693   2.982  -0.069
   73   1HG2  ILE   9          1HG2      ILE   9  -0.430   1.531   1.451
   74   2HG2  ILE   9          2HG2      ILE   9  -0.234   3.250   1.032
   75   3HG2  ILE   9          3HG2      ILE   9  -0.074   2.723   2.724
   76   1HD1  ILE   9          1HD1      ILE   9  -3.566   0.348   0.267
   77   2HD1  ILE   9          2HD1      ILE   9  -2.039   0.846  -0.499
   78   3HD1  ILE   9          3HD1      ILE   9  -2.068   0.411   1.226
   79    H    VAL  10           H        VAL  10  -1.790   1.975   5.730
   80    HA   VAL  10           HA       VAL  10   0.463   0.276   5.211
   81    HB   VAL  10           HB       VAL  10  -0.728   1.577   7.654
   82   1HG1  VAL  10          1HG1      VAL  10   1.269  -0.619   7.481
   83   2HG1  VAL  10          2HG1      VAL  10   1.674   0.737   8.560
   84   3HG1  VAL  10          3HG1      VAL  10   0.162  -0.171   8.800
   85   1HG2  VAL  10          1HG2      VAL  10   1.776   2.513   7.515
   86   2HG2  VAL  10          2HG2      VAL  10   1.542   2.124   5.794
   87   3HG2  VAL  10          3HG2      VAL  10   0.429   3.248   6.611
   88    H    HIS  11           H        HIS  11  -2.714   0.042   6.930
   89    HA   HIS  11           HA       HIS  11  -2.321  -2.617   7.722
   90   1HB   HIS  11          1HB       HIS  11  -4.989  -1.272   7.270
   91   2HB   HIS  11          2HB       HIS  11  -4.614  -2.577   8.377
   92    HD1  HIS  11           HD1      HIS  11  -5.919   0.089   9.345
   93    HD2  HIS  11           HD2      HIS  11  -1.807  -0.729   9.451
   94    HE1  HIS  11           HE1      HIS  11  -4.933   1.613  11.139
   95    H    VAL  12           H        VAL  12  -3.418  -1.074   4.724
   96    HA   VAL  12           HA       VAL  12  -4.646  -3.387   3.646
   97    HB   VAL  12           HB       VAL  12  -3.455  -1.084   2.111
   98   1HG1  VAL  12          1HG1      VAL  12  -4.488  -2.030   0.380
   99   2HG1  VAL  12          2HG1      VAL  12  -5.065  -3.346   1.430
  100   3HG1  VAL  12          3HG1      VAL  12  -6.048  -1.877   1.222
  101   1HG2  VAL  12          1HG2      VAL  12  -5.809  -0.061   2.440
  102   2HG2  VAL  12          2HG2      VAL  12  -5.920  -1.138   3.854
  103   3HG2  VAL  12          3HG2      VAL  12  -4.630   0.086   3.765
  104    H    GLY  13           H        GLY  13  -1.545  -1.719   2.728
  105   1HA   GLY  13          1HA       GLY  13  -0.485  -3.617   1.098
  106   2HA   GLY  13          2HA       GLY  13   0.459  -2.581   2.150
  107    H    LYS  14           H        LYS  14  -0.487  -3.568   4.712
  108    HA   LYS  14           HA       LYS  14   1.224  -5.801   4.958
  109   1HB   LYS  14          1HB       LYS  14  -0.595  -4.273   6.804
  110   2HB   LYS  14          2HB       LYS  14   0.114  -5.785   7.331
  111   1HG   LYS  14          1HG       LYS  14   2.331  -4.961   7.175
  112   2HG   LYS  14          2HG       LYS  14   1.888  -3.688   6.054
  113   1HD   LYS  14          1HD       LYS  14   0.665  -2.489   7.850
  114   2HD   LYS  14          2HD       LYS  14   1.004  -3.787   8.977
  115   1HE   LYS  14          1HE       LYS  14   3.271  -2.344   7.553
  116   2HE   LYS  14          2HE       LYS  14   2.551  -1.668   9.001
  117   1HZ   LYS  14          1HZ       LYS  14   4.422  -3.077   9.583
  118   2HZ   LYS  14          2HZ       LYS  14   3.067  -3.787  10.143
  119    H    THR  15           H        THR  15  -2.308  -5.347   4.617
  120    HA   THR  15           HA       THR  15  -3.092  -7.922   5.355
  121    HB   THR  15           HB       THR  15  -4.281  -5.537   4.533
  122    HG1  THR  15           HG1      THR  15  -4.969  -7.474   5.903
  123   1HG2  THR  15          1HG2      THR  15  -5.881  -6.447   2.722
  124   2HG2  THR  15          2HG2      THR  15  -4.253  -6.007   2.151
  125   3HG2  THR  15          3HG2      THR  15  -4.669  -7.716   2.424
  126    H    ILE  16           H        ILE  16  -2.511  -6.624   2.013
  127    HA   ILE  16           HA       ILE  16  -2.856  -8.996   0.693
  128    HB   ILE  16           HB       ILE  16  -0.836  -6.870  -0.018
  129   1HG1  ILE  16          1HG1      ILE  16  -3.151  -6.227  -1.362
  130   2HG1  ILE  16          2HG1      ILE  16  -3.768  -6.722   0.201
  131   1HG2  ILE  16          1HG2      ILE  16  -2.456  -8.050  -2.143
  132   2HG2  ILE  16          2HG2      ILE  16  -0.694  -7.822  -2.029
  133   3HG2  ILE  16          3HG2      ILE  16  -1.457  -9.248  -1.285
  134   1HD1  ILE  16          1HD1      ILE  16  -2.063  -4.379  -0.512
  135   2HD1  ILE  16          2HD1      ILE  16  -3.284  -4.550   0.771
  136   3HD1  ILE  16          3HD1      ILE  16  -1.645  -5.199   1.011
  137    H    HIS  17           H        HIS  17   0.274  -7.618   1.928
  138    HA   HIS  17           HA       HIS  17   1.810  -9.805   1.244
  139   1HB   HIS  17          1HB       HIS  17   2.189  -7.884   3.558
  140   2HB   HIS  17          2HB       HIS  17   3.424  -8.928   2.883
  141    HD1  HIS  17           HD1      HIS  17   3.573  -5.754   2.945
  142    HD2  HIS  17           HD2      HIS  17   2.445  -8.094  -0.349
  143    HE1  HIS  17           HE1      HIS  17   4.004  -4.328   0.874
  144    H    ARG  18           H        ARG  18  -0.677  -9.486   3.630
  145    HA   ARG  18           HA       ARG  18   0.406 -11.488   5.338
  146   1HB   ARG  18          1HB       ARG  18  -1.637  -9.499   5.504
  147   2HB   ARG  18          2HB       ARG  18  -2.464 -11.034   5.686
  148   1HG   ARG  18          1HG       ARG  18  -1.344 -11.572   7.665
  149   2HG   ARG  18          2HG       ARG  18   0.094 -10.669   7.230
  150   1HD   ARG  18          1HD       ARG  18  -1.434  -8.539   7.458
  151   2HD   ARG  18          2HD       ARG  18  -2.537  -9.598   8.315
  152    HE   ARG  18           HE       ARG  18   0.219  -9.774   9.296
  153   1HH1  ARG  18          1HH1      ARG  18  -2.848  -8.025   9.595
  154   2HH1  ARG  18          2HH1      ARG  18  -2.512  -7.460  11.197
  155   1HH2  ARG  18          1HH2      ARG  18  -0.442  -8.061  12.244
  156    H    LEU  19           H        LEU  19  -1.657 -11.273   2.491
  157    HA   LEU  19           HA       LEU  19  -2.332 -14.115   2.810
  158   1HB   LEU  19          1HB       LEU  19  -3.963 -11.819   2.236
  159   2HB   LEU  19          2HB       LEU  19  -4.001 -12.919   0.873
  160    HG   LEU  19           HG       LEU  19  -4.389 -14.686   2.890
  161   1HD1  LEU  19          1HD1      LEU  19  -5.026 -13.792   4.814
  162   2HD1  LEU  19          2HD1      LEU  19  -4.675 -12.175   4.160
  163   3HD1  LEU  19          3HD1      LEU  19  -6.307 -12.865   3.999
  164   1HD2  LEU  19          1HD2      LEU  19  -6.436 -14.992   1.967
  165   2HD2  LEU  19          2HD2      LEU  19  -6.838 -13.258   1.999
  166   3HD2  LEU  19          3HD2      LEU  19  -5.767 -13.899   0.732
  167    H    VAL  20           H        VAL  20  -0.067 -12.195   1.492
  168    HA   VAL  20           HA       VAL  20  -0.088 -12.599  -1.220
  169    HB   VAL  20           HB       VAL  20   1.471 -11.147  -0.138
  170   1HG1  VAL  20          1HG1      VAL  20   1.683 -12.884   1.863
  171   2HG1  VAL  20          2HG1      VAL  20   3.133 -13.382   0.960
  172   3HG1  VAL  20          3HG1      VAL  20   2.965 -11.699   1.515
  173   1HG2  VAL  20          1HG2      VAL  20   3.704 -12.463  -1.016
  174   2HG2  VAL  20          2HG2      VAL  20   2.415 -13.331  -1.885
  175   3HG2  VAL  20          3HG2      VAL  20   2.575 -11.567  -2.059
  176    H    THR  21           H        THR  21   1.428 -14.717   1.318
  177    HA   THR  21           HA       THR  21   2.032 -16.759  -0.568
  178    HB   THR  21           HB       THR  21   2.398 -16.136   2.291
  179    HG1  THR  21           HG1      THR  21   3.617 -18.022   0.402
  180   1HG2  THR  21          1HG2      THR  21   2.104 -19.069   1.455
  181   2HG2  THR  21          2HG2      THR  21   2.641 -18.468   3.043
  182   3HG2  THR  21          3HG2      THR  21   0.958 -18.220   2.520
  183    H    GLY  22           H        GLY  22  -0.922 -15.647   0.245
  184   1HA   GLY  22          1HA       GLY  22  -2.990 -16.542   0.411
  185   2HA   GLY  22          2HA       GLY  22  -2.402 -17.648  -0.815
  Start of MODEL    9
    1   1H    PHE   1          1H        PHE   1  -0.196  15.090  -1.990
    2    HA   PHE   1           HA       PHE   1   1.956  14.697  -0.034
    3   1HB   PHE   1          1HB       PHE   1  -0.361  16.482  -0.333
    4   2HB   PHE   1          2HB       PHE   1  -0.553  15.540   1.131
    5    HD1  PHE   1           HD1      PHE   1   1.874  15.351   2.449
    6    HD2  PHE   1           HD2      PHE   1   0.557  18.559   0.002
    7    HE1  PHE   1           HE1      PHE   1   3.427  16.910   3.656
    8    HE2  PHE   1           HE2      PHE   1   2.110  20.118   1.209
    9    HZ   PHE   1           HZ       PHE   1   3.526  19.275   3.022
   10    H    PHE   2           H        PHE   2   1.232  13.518   2.014
   11    HA   PHE   2           HA       PHE   2  -1.012  11.759   1.705
   12   1HB   PHE   2          1HB       PHE   2   0.644   9.753   2.036
   13   2HB   PHE   2          2HB       PHE   2   0.580  10.452   0.430
   14    HD1  PHE   2           HD1      PHE   2   2.391  12.023  -0.296
   15    HD2  PHE   2           HD2      PHE   2   2.640   9.815   3.319
   16    HE1  PHE   2           HE1      PHE   2   4.868  12.427  -0.219
   17    HE2  PHE   2           HE2      PHE   2   5.116  10.219   3.397
   18    HZ   PHE   2           HZ       PHE   2   6.200  11.520   1.627
   19    H    HIS   3           H        HIS   3  -1.152  13.434   3.635
   20    HA   HIS   3           HA       HIS   3   0.456  12.973   5.879
   21   1HB   HIS   3          1HB       HIS   3  -1.819  14.611   5.136
   22   2HB   HIS   3          2HB       HIS   3  -2.026  13.972   6.755
   23    HD1  HIS   3           HD1      HIS   3  -1.722  16.514   7.556
   24    HD2  HIS   3           HD2      HIS   3   1.671  14.714   5.868
   25    HE1  HIS   3           HE1      HIS   3   0.262  17.984   8.200
   26    H    HIS   4           H        HIS   4  -2.974  11.979   5.176
   27    HA   HIS   4           HA       HIS   4  -2.460   9.659   6.884
   28   1HB   HIS   4          1HB       HIS   4  -4.958   9.879   7.487
   29   2HB   HIS   4          2HB       HIS   4  -3.795  10.912   8.293
   30    HD1  HIS   4           HD1      HIS   4  -6.451  11.023   5.574
   31    HD2  HIS   4           HD2      HIS   4  -4.161  13.643   7.916
   32    HE1  HIS   4           HE1      HIS   4  -7.406  13.355   5.178
   33    H    ILE   5           H        ILE   5  -2.552  10.449   3.834
   34    HA   ILE   5           HA       ILE   5  -4.711   8.718   2.965
   35    HB   ILE   5           HB       ILE   5  -2.692  10.339   1.409
   36   1HG1  ILE   5          1HG1      ILE   5  -5.357  11.319   1.160
   37   2HG1  ILE   5          2HG1      ILE   5  -5.029  11.131   2.870
   38   1HG2  ILE   5          1HG2      ILE   5  -3.321   9.055  -0.304
   39   2HG2  ILE   5          2HG2      ILE   5  -4.674   8.342   0.606
   40   3HG2  ILE   5          3HG2      ILE   5  -4.879   9.909  -0.213
   41   1HD1  ILE   5          1HD1      ILE   5  -3.378  12.705   0.847
   42   2HD1  ILE   5          2HD1      ILE   5  -4.286  13.345   2.238
   43   3HD1  ILE   5          3HD1      ILE   5  -2.825  12.363   2.505
   44    H    PHE   6           H        PHE   6  -1.384   8.538   3.867
   45    HA   PHE   6           HA       PHE   6  -1.127   6.023   2.378
   46   1HB   PHE   6          1HB       PHE   6   0.625   7.597   1.767
   47   2HB   PHE   6          2HB       PHE   6   0.783   8.177   3.414
   48    HD1  PHE   6           HD1      PHE   6   2.158   7.015   5.013
   49    HD2  PHE   6           HD2      PHE   6   1.631   5.454   1.103
   50    HE1  PHE   6           HE1      PHE   6   4.073   5.436   5.385
   51    HE2  PHE   6           HE2      PHE   6   3.546   3.875   1.475
   52    HZ   PHE   6           HZ       PHE   6   4.745   3.884   3.611
   53    H    ARG   7           H        ARG   7  -1.688   7.411   5.454
   54    HA   ARG   7           HA       ARG   7  -0.196   5.515   6.934
   55   1HB   ARG   7          1HB       ARG   7  -0.985   7.904   7.652
   56   2HB   ARG   7          2HB       ARG   7  -2.540   7.164   7.978
   57   1HG   ARG   7          1HG       ARG   7  -1.469   5.564   9.556
   58   2HG   ARG   7          2HG       ARG   7   0.106   6.245   9.201
   59   1HD   ARG   7          1HD       ARG   7  -0.483   8.377  10.200
   60   2HD   ARG   7          2HD       ARG   7  -2.181   7.954  10.275
   61    HE   ARG   7           HE       ARG   7  -1.769   6.612  12.182
   62   1HH1  ARG   7          1HH1      ARG   7   1.291   7.721  10.778
   63   2HH1  ARG   7          2HH1      ARG   7   2.237   7.232  12.145
   64   1HH2  ARG   7          1HH2      ARG   7   1.151   6.203  14.018
   65    H    GLY   8           H        GLY   8  -3.285   5.608   5.320
   66   1HA   GLY   8          1HA       GLY   8  -4.475   3.531   6.989
   67   2HA   GLY   8          2HA       GLY   8  -5.219   4.385   5.652
   68    H    ILE   9           H        ILE   9  -2.454   3.858   4.159
   69    HA   ILE   9           HA       ILE   9  -3.393   1.409   2.959
   70    HB   ILE   9           HB       ILE   9  -1.329   3.478   2.293
   71   1HG1  ILE   9          1HG1      ILE   9  -3.676   3.908   1.704
   72   2HG1  ILE   9          2HG1      ILE   9  -2.655   3.758   0.287
   73   1HG2  ILE   9          1HG2      ILE   9  -0.946   2.018   0.193
   74   2HG2  ILE   9          2HG2      ILE   9  -0.087   1.607   1.697
   75   3HG2  ILE   9          3HG2      ILE   9  -1.525   0.678   1.211
   76   1HD1  ILE   9          1HD1      ILE   9  -4.997   2.233   0.955
   77   2HD1  ILE   9          2HD1      ILE   9  -3.974   2.097  -0.495
   78   3HD1  ILE   9          3HD1      ILE   9  -3.607   1.121   0.947
   79    H    VAL  10           H        VAL  10  -1.875   1.932   5.767
   80    HA   VAL  10           HA       VAL  10   0.403   0.222   5.430
   81    HB   VAL  10           HB       VAL  10  -0.933   1.658   7.702
   82   1HG1  VAL  10          1HG1      VAL  10   0.910   0.747   9.179
   83   2HG1  VAL  10          2HG1      VAL  10  -0.365  -0.415   8.740
   84   3HG1  VAL  10          3HG1      VAL  10   1.213  -0.473   7.919
   85   1HG2  VAL  10          1HG2      VAL  10   1.369   2.654   7.897
   86   2HG2  VAL  10          2HG2      VAL  10   1.815   1.765   6.421
   87   3HG2  VAL  10          3HG2      VAL  10   0.537   3.002   6.362
   88    H    HIS  11           H        HIS  11  -2.898   0.010   6.894
   89    HA   HIS  11           HA       HIS  11  -2.545  -2.646   7.750
   90   1HB   HIS  11          1HB       HIS  11  -5.135  -1.183   7.178
   91   2HB   HIS  11          2HB       HIS  11  -4.932  -2.602   8.185
   92    HD1  HIS  11           HD1      HIS  11  -2.779  -1.964  10.120
   93    HD2  HIS  11           HD2      HIS  11  -5.479   0.965   8.806
   94    HE1  HIS  11           HE1      HIS  11  -2.761  -0.130  11.893
   95    H    VAL  12           H        VAL  12  -3.515  -1.108   4.699
   96    HA   VAL  12           HA       VAL  12  -4.678  -3.427   3.569
   97    HB   VAL  12           HB       VAL  12  -3.417  -1.129   2.084
   98   1HG1  VAL  12          1HG1      VAL  12  -5.600  -3.130   1.522
   99   2HG1  VAL  12          2HG1      VAL  12  -5.553  -1.568   0.671
  100   3HG1  VAL  12          3HG1      VAL  12  -4.183  -2.697   0.535
  101   1HG2  VAL  12          1HG2      VAL  12  -5.794  -0.114   2.301
  102   2HG2  VAL  12          2HG2      VAL  12  -5.948  -1.172   3.724
  103   3HG2  VAL  12          3HG2      VAL  12  -4.664   0.058   3.665
  104    H    GLY  13           H        GLY  13  -1.543  -1.755   2.779
  105   1HA   GLY  13          1HA       GLY  13  -0.409  -3.671   1.217
  106   2HA   GLY  13          2HA       GLY  13   0.486  -2.613   2.290
  107    H    LYS  14           H        LYS  14  -0.542  -3.560   4.828
  108    HA   LYS  14           HA       LYS  14   1.168  -5.774   5.183
  109   1HB   LYS  14          1HB       LYS  14  -0.701  -4.180   6.898
  110   2HB   LYS  14          2HB       LYS  14  -0.136  -5.728   7.494
  111   1HG   LYS  14          1HG       LYS  14   2.131  -5.053   7.512
  112   2HG   LYS  14          2HG       LYS  14   1.872  -3.786   6.330
  113   1HD   LYS  14          1HD       LYS  14   0.650  -2.422   7.969
  114   2HD   LYS  14          2HD       LYS  14   0.690  -3.722   9.145
  115   1HE   LYS  14          1HE       LYS  14   3.380  -3.467   8.575
  116   2HE   LYS  14          2HE       LYS  14   2.844  -1.813   8.355
  117   1HZ   LYS  14          1HZ       LYS  14   3.463  -2.312  10.681
  118   2HZ   LYS  14          2HZ       LYS  14   1.904  -1.851  10.583
  119    H    THR  15           H        THR  15  -2.338  -5.370   4.636
  120    HA   THR  15           HA       THR  15  -3.121  -7.952   5.380
  121    HB   THR  15           HB       THR  15  -4.307  -5.587   4.487
  122    HG1  THR  15           HG1      THR  15  -5.094  -7.396   5.886
  123   1HG2  THR  15          1HG2      THR  15  -5.831  -6.552   2.635
  124   2HG2  THR  15          2HG2      THR  15  -4.194  -6.086   2.115
  125   3HG2  THR  15          3HG2      THR  15  -4.584  -7.800   2.395
  126    H    ILE  16           H        ILE  16  -2.448  -6.666   2.051
  127    HA   ILE  16           HA       ILE  16  -2.703  -9.031   0.720
  128    HB   ILE  16           HB       ILE  16  -0.649  -6.904   0.123
  129   1HG1  ILE  16          1HG1      ILE  16  -2.878  -6.269  -1.357
  130   2HG1  ILE  16          2HG1      ILE  16  -3.592  -6.773   0.161
  131   1HG2  ILE  16          1HG2      ILE  16  -0.368  -7.875  -1.861
  132   2HG2  ILE  16          2HG2      ILE  16  -1.208  -9.289  -1.180
  133   3HG2  ILE  16          3HG2      ILE  16  -2.120  -8.072  -2.105
  134   1HD1  ILE  16          1HD1      ILE  16  -1.858  -4.419  -0.432
  135   2HD1  ILE  16          2HD1      ILE  16  -3.157  -4.601   0.770
  136   3HD1  ILE  16          3HD1      ILE  16  -1.533  -5.243   1.112
  137    H    HIS  17           H        HIS  17   0.368  -7.666   2.108
  138    HA   HIS  17           HA       HIS  17   1.913  -9.880   1.508
  139   1HB   HIS  17          1HB       HIS  17   2.184  -7.846   3.738
  140   2HB   HIS  17          2HB       HIS  17   3.429  -8.993   3.290
  141    HD1  HIS  17           HD1      HIS  17   3.439  -5.726   3.052
  142    HD2  HIS  17           HD2      HIS  17   3.108  -8.532  -0.049
  143    HE1  HIS  17           HE1      HIS  17   4.221  -4.543   0.931
  144    H    ARG  18           H        ARG  18  -0.632  -9.454   3.837
  145    HA   ARG  18           HA       ARG  18   0.330 -11.360   5.674
  146   1HB   ARG  18          1HB       ARG  18  -1.724  -9.459   5.629
  147   2HB   ARG  18          2HB       ARG  18  -2.612 -10.968   5.566
  148   1HG   ARG  18          1HG       ARG  18  -1.606 -11.765   7.616
  149   2HG   ARG  18          2HG       ARG  18  -0.389 -10.504   7.595
  150   1HD   ARG  18          1HD       ARG  18  -1.863  -8.863   8.362
  151   2HD   ARG  18          2HD       ARG  18  -3.261  -9.608   7.612
  152    HE   ARG  18           HE       ARG  18  -3.579 -10.926   9.531
  153   1HH1  ARG  18          1HH1      ARG  18  -0.363  -9.446   9.653
  154   2HH1  ARG  18          2HH1      ARG  18  -0.064  -9.933  11.287
  155   1HH2  ARG  18          1HH2      ARG  18  -1.737 -11.181  12.464
  156    H    LEU  19           H        LEU  19  -1.588 -11.399   2.683
  157    HA   LEU  19           HA       LEU  19  -1.789 -14.314   2.952
  158   1HB   LEU  19          1HB       LEU  19  -3.914 -12.391   2.746
  159   2HB   LEU  19          2HB       LEU  19  -3.900 -13.400   1.313
  160    HG   LEU  19           HG       LEU  19  -3.584 -15.140   3.538
  161   1HD1  LEU  19          1HD1      LEU  19  -6.166 -13.811   4.039
  162   2HD1  LEU  19          2HD1      LEU  19  -4.991 -14.520   5.172
  163   3HD1  LEU  19          3HD1      LEU  19  -4.732 -12.879   4.533
  164   1HD2  LEU  19          1HD2      LEU  19  -4.611 -15.996   1.643
  165   2HD2  LEU  19          2HD2      LEU  19  -5.973 -15.801   2.774
  166   3HD2  LEU  19          3HD2      LEU  19  -5.712 -14.607   1.481
  167    H    VAL  20           H        VAL  20   0.231 -12.411   1.729
  168    HA   VAL  20           HA       VAL  20   0.042 -12.096  -0.941
  169    HB   VAL  20           HB       VAL  20   1.933 -11.271   0.109
  170   1HG1  VAL  20          1HG1      VAL  20   3.348 -13.644   0.987
  171   2HG1  VAL  20          2HG1      VAL  20   2.879 -12.194   1.908
  172   3HG1  VAL  20          3HG1      VAL  20   1.739 -13.551   1.743
  173   1HG2  VAL  20          1HG2      VAL  20   2.241 -12.820  -2.116
  174   2HG2  VAL  20          2HG2      VAL  20   3.518 -11.800  -1.412
  175   3HG2  VAL  20          3HG2      VAL  20   3.455 -13.537  -1.030
  176    H    THR  21           H        THR  21   1.485 -15.058   0.609
  177    HA   THR  21           HA       THR  21   0.337 -16.605  -1.610
  178    HB   THR  21           HB       THR  21   2.825 -16.011  -1.924
  179    HG1  THR  21           HG1      THR  21   3.209 -18.371  -2.348
  180   1HG2  THR  21          1HG2      THR  21   3.487 -16.322   0.512
  181   2HG2  THR  21          2HG2      THR  21   3.111 -18.054   0.341
  182   3HG2  THR  21          3HG2      THR  21   4.433 -17.331  -0.608
  183    H    GLY  22           H        GLY  22   1.483 -16.400   1.763
  184   1HA   GLY  22          1HA       GLY  22  -0.457 -18.385   2.531
  185   2HA   GLY  22          2HA       GLY  22   1.200 -18.943   2.662
  Start of MODEL   10
    1   1H    PHE   1          1H        PHE   1  -2.777  14.942  -4.792
    2    HA   PHE   1           HA       PHE   1  -1.587  13.230  -3.911
    3   1HB   PHE   1          1HB       PHE   1  -0.343  14.299  -1.826
    4   2HB   PHE   1          2HB       PHE   1  -0.213  15.122  -3.368
    5    HD1  PHE   1           HD1      PHE   1  -0.310  17.406  -3.176
    6    HD2  PHE   1           HD2      PHE   1  -2.734  15.059  -0.601
    7    HE1  PHE   1           HE1      PHE   1  -1.231  19.497  -2.137
    8    HE2  PHE   1           HE2      PHE   1  -3.654  17.150   0.438
    9    HZ   PHE   1           HZ       PHE   1  -2.892  19.344  -0.342
   10    H    PHE   2           H        PHE   2  -0.883  12.066  -1.720
   11    HA   PHE   2           HA       PHE   2  -3.355  11.656  -0.190
   12   1HB   PHE   2          1HB       PHE   2  -2.075   9.316   0.112
   13   2HB   PHE   2          2HB       PHE   2  -2.973   9.621  -1.363
   14    HD1  PHE   2           HD1      PHE   2   0.293   9.068   0.079
   15    HD2  PHE   2           HD2      PHE   2  -1.753  10.293  -3.431
   16    HE1  PHE   2           HE1      PHE   2   2.372   8.674  -1.270
   17    HE2  PHE   2           HE2      PHE   2   0.327   9.899  -4.780
   18    HZ   PHE   2           HZ       PHE   2   2.365   9.094  -3.684
   19    H    HIS   3           H        HIS   3  -2.078  13.640   0.921
   20    HA   HIS   3           HA       HIS   3   0.080  12.736   2.582
   21   1HB   HIS   3          1HB       HIS   3  -0.950  15.236   1.645
   22   2HB   HIS   3          2HB       HIS   3  -0.931  15.281   3.397
   23    HD1  HIS   3           HD1      HIS   3   1.634  13.584   1.116
   24    HD2  HIS   3           HD2      HIS   3   1.352  16.728   3.878
   25    HE1  HIS   3           HE1      HIS   3   4.009  14.454   1.453
   26    H    HIS   4           H        HIS   4  -0.177  11.696   4.490
   27    HA   HIS   4           HA       HIS   4  -0.998  11.162   6.466
   28   1HB   HIS   4          1HB       HIS   4  -1.765  13.716   6.356
   29   2HB   HIS   4          2HB       HIS   4  -3.358  12.988   6.302
   30    HD1  HIS   4           HD1      HIS   4  -4.387  12.607   8.540
   31    HD2  HIS   4           HD2      HIS   4  -0.196  12.567   8.711
   32    HE1  HIS   4           HE1      HIS   4  -3.775  12.319  11.001
   33    H    ILE   5           H        ILE   5  -2.112  10.454   3.563
   34    HA   ILE   5           HA       ILE   5  -4.484   9.028   4.540
   35    HB   ILE   5           HB       ILE   5  -3.696   9.993   1.796
   36   1HG1  ILE   5          1HG1      ILE   5  -6.207  10.550   3.393
   37   2HG1  ILE   5          2HG1      ILE   5  -4.779  11.564   3.477
   38   1HG2  ILE   5          1HG2      ILE   5  -5.698   8.910   0.927
   39   2HG2  ILE   5          2HG2      ILE   5  -4.576   7.710   1.612
   40   3HG2  ILE   5          3HG2      ILE   5  -6.025   8.195   2.523
   41   1HD1  ILE   5          1HD1      ILE   5  -5.714  10.900   0.717
   42   2HD1  ILE   5          2HD1      ILE   5  -6.783  11.954   1.673
   43   3HD1  ILE   5          3HD1      ILE   5  -5.096  12.436   1.370
   44    H    PHE   6           H        PHE   6  -1.198   8.778   3.359
   45    HA   PHE   6           HA       PHE   6  -1.372   6.135   2.392
   46   1HB   PHE   6          1HB       PHE   6   0.519   7.453   1.722
   47   2HB   PHE   6          2HB       PHE   6   0.736   8.122   3.327
   48    HD1  PHE   6           HD1      PHE   6   1.578   5.401   1.083
   49    HD2  PHE   6           HD2      PHE   6   1.850   6.782   5.087
   50    HE1  PHE   6           HE1      PHE   6   3.389   3.725   1.539
   51    HE2  PHE   6           HE2      PHE   6   3.662   5.106   5.542
   52    HZ   PHE   6           HZ       PHE   6   4.409   3.598   3.763
   53    H    ARG   7           H        ARG   7  -1.495   7.476   5.576
   54    HA   ARG   7           HA       ARG   7  -0.135   5.439   6.914
   55   1HB   ARG   7          1HB       ARG   7  -0.729   7.735   7.843
   56   2HB   ARG   7          2HB       ARG   7  -2.398   7.213   7.963
   57   1HG   ARG   7          1HG       ARG   7  -1.140   5.137   9.261
   58   2HG   ARG   7          2HG       ARG   7  -0.046   6.453   9.642
   59   1HD   ARG   7          1HD       ARG   7  -2.705   7.477   9.985
   60   2HD   ARG   7          2HD       ARG   7  -2.674   5.902  10.754
   61    HE   ARG   7           HE       ARG   7  -0.345   7.005  11.682
   62   1HH1  ARG   7          1HH1      ARG   7  -3.654   8.266  11.554
   63   2HH1  ARG   7          2HH1      ARG   7  -3.460   9.266  12.954
   64   1HH2  ARG   7          1HH2      ARG   7  -1.355   9.283  14.100
   65    H    GLY   8           H        GLY   8  -3.235   5.625   5.348
   66   1HA   GLY   8          1HA       GLY   8  -4.466   3.541   6.968
   67   2HA   GLY   8          2HA       GLY   8  -5.173   4.409   5.620
   68    H    ILE   9           H        ILE   9  -2.424   3.864   4.141
   69    HA   ILE   9           HA       ILE   9  -3.363   1.416   2.943
   70    HB   ILE   9           HB       ILE   9  -1.291   3.480   2.288
   71   1HG1  ILE   9          1HG1      ILE   9  -3.711   3.794   1.706
   72   2HG1  ILE   9          2HG1      ILE   9  -2.606   3.857   0.347
   73   1HG2  ILE   9          1HG2      ILE   9  -0.787   2.070   0.237
   74   2HG2  ILE   9          2HG2      ILE   9  -0.083   1.518   1.776
   75   3HG2  ILE   9          3HG2      ILE   9  -1.521   0.706   1.114
   76   1HD1  ILE   9          1HD1      ILE   9  -3.680   1.144   0.988
   77   2HD1  ILE   9          2HD1      ILE   9  -4.861   2.325   0.374
   78   3HD1  ILE   9          3HD1      ILE   9  -3.421   1.922  -0.592
   79    H    VAL  10           H        VAL  10  -1.840   1.950   5.756
   80    HA   VAL  10           HA       VAL  10   0.427   0.224   5.435
   81    HB   VAL  10           HB       VAL  10  -0.932   1.607   7.737
   82   1HG1  VAL  10          1HG1      VAL  10   1.322  -0.416   7.855
   83   2HG1  VAL  10          2HG1      VAL  10   0.999   0.767   9.145
   84   3HG1  VAL  10          3HG1      VAL  10  -0.231  -0.449   8.723
   85   1HG2  VAL  10          1HG2      VAL  10   1.959   1.896   6.992
   86   2HG2  VAL  10          2HG2      VAL  10   0.723   2.671   5.972
   87   3HG2  VAL  10          3HG2      VAL  10   0.837   3.082   7.700
   88    H    HIS  11           H        HIS  11  -2.881   0.023   6.888
   89    HA   HIS  11           HA       HIS  11  -2.543  -2.635   7.743
   90   1HB   HIS  11          1HB       HIS  11  -5.124  -1.162   7.155
   91   2HB   HIS  11          2HB       HIS  11  -4.933  -2.584   8.162
   92    HD1  HIS  11           HD1      HIS  11  -2.794  -1.958  10.114
   93    HD2  HIS  11           HD2      HIS  11  -5.465   0.989   8.781
   94    HE1  HIS  11           HE1      HIS  11  -2.781  -0.125  11.889
   95    H    VAL  12           H        VAL  12  -3.489  -1.094   4.685
   96    HA   VAL  12           HA       VAL  12  -4.654  -3.409   3.550
   97    HB   VAL  12           HB       VAL  12  -3.376  -1.113   2.074
   98   1HG1  VAL  12          1HG1      VAL  12  -5.451  -1.536   0.610
   99   2HG1  VAL  12          2HG1      VAL  12  -4.134  -2.731   0.547
  100   3HG1  VAL  12          3HG1      VAL  12  -5.602  -3.073   1.495
  101   1HG2  VAL  12          1HG2      VAL  12  -4.634   0.070   3.651
  102   2HG2  VAL  12          2HG2      VAL  12  -5.747  -0.091   2.271
  103   3HG2  VAL  12          3HG2      VAL  12  -5.925  -1.156   3.687
  104    H    GLY  13           H        GLY  13  -1.507  -1.750   2.780
  105   1HA   GLY  13          1HA       GLY  13  -0.371  -3.668   1.224
  106   2HA   GLY  13          2HA       GLY  13   0.521  -2.615   2.304
  107    H    LYS  14           H        LYS  14  -0.527  -3.561   4.835
  108    HA   LYS  14           HA       LYS  14   1.171  -5.782   5.198
  109   1HB   LYS  14          1HB       LYS  14  -0.709  -4.189   6.906
  110   2HB   LYS  14          2HB       LYS  14  -0.137  -5.734   7.502
  111   1HG   LYS  14          1HG       LYS  14   2.129  -5.047   7.520
  112   2HG   LYS  14          2HG       LYS  14   1.861  -3.775   6.346
  113   1HD   LYS  14          1HD       LYS  14   0.732  -2.376   7.963
  114   2HD   LYS  14          2HD       LYS  14   0.580  -3.695   9.107
  115   1HE   LYS  14          1HE       LYS  14   3.348  -2.871   8.203
  116   2HE   LYS  14          2HE       LYS  14   2.514  -1.871   9.376
  117   1HZ   LYS  14          1HZ       LYS  14   2.132  -4.124  10.583
  118   2HZ   LYS  14          2HZ       LYS  14   3.365  -4.676   9.673
  119    H    THR  15           H        THR  15  -2.330  -5.362   4.630
  120    HA   THR  15           HA       THR  15  -3.131  -7.941   5.367
  121    HB   THR  15           HB       THR  15  -4.299  -5.569   4.467
  122    HG1  THR  15           HG1      THR  15  -6.014  -6.775   5.258
  123   1HG2  THR  15          1HG2      THR  15  -4.172  -6.067   2.097
  124   2HG2  THR  15          2HG2      THR  15  -4.573  -7.779   2.374
  125   3HG2  THR  15          3HG2      THR  15  -5.815  -6.525   2.606
  126    H    ILE  16           H        ILE  16  -2.428  -6.656   2.043
  127    HA   ILE  16           HA       ILE  16  -2.687  -9.018   0.709
  128    HB   ILE  16           HB       ILE  16  -0.618  -6.901   0.127
  129   1HG1  ILE  16          1HG1      ILE  16  -2.835  -6.254  -1.367
  130   2HG1  ILE  16          2HG1      ILE  16  -3.559  -6.756   0.148
  131   1HG2  ILE  16          1HG2      ILE  16  -0.496  -8.973  -1.224
  132   2HG2  ILE  16          2HG2      ILE  16  -2.180  -8.708  -1.738
  133   3HG2  ILE  16          3HG2      ILE  16  -0.918  -7.535  -2.184
  134   1HD1  ILE  16          1HD1      ILE  16  -1.500  -5.236   1.112
  135   2HD1  ILE  16          2HD1      ILE  16  -1.810  -4.410  -0.435
  136   3HD1  ILE  16          3HD1      ILE  16  -3.119  -4.585   0.758
  137    H    HIS  17           H        HIS  17   0.382  -7.670   2.119
  138    HA   HIS  17           HA       HIS  17   1.920  -9.890   1.528
  139   1HB   HIS  17          1HB       HIS  17   2.186  -7.858   3.759
  140   2HB   HIS  17          2HB       HIS  17   3.429  -9.012   3.319
  141    HD1  HIS  17           HD1      HIS  17   3.455  -5.744   3.081
  142    HD2  HIS  17           HD2      HIS  17   3.133  -8.549  -0.021
  143    HE1  HIS  17           HE1      HIS  17   4.258  -4.566   0.966
  144    H    ARG  18           H        ARG  18  -0.639  -9.453   3.840
  145    HA   ARG  18           HA       ARG  18   0.302 -11.364   5.682
  146   1HB   ARG  18          1HB       ARG  18  -1.741  -9.453   5.624
  147   2HB   ARG  18          2HB       ARG  18  -2.637 -10.958   5.553
  148   1HG   ARG  18          1HG       ARG  18  -2.200 -11.425   7.735
  149   2HG   ARG  18          2HG       ARG  18  -0.482 -11.159   7.520
  150   1HD   ARG  18          1HD       ARG  18  -0.588  -8.952   8.225
  151   2HD   ARG  18          2HD       ARG  18  -2.172  -8.687   7.524
  152    HE   ARG  18           HE       ARG  18  -2.162 -10.535   9.814
  153   1HH1  ARG  18          1HH1      ARG  18  -2.498  -7.163   8.779
  154   2HH1  ARG  18          2HH1      ARG  18  -3.353  -6.680  10.206
  155   1HH2  ARG  18          1HH2      ARG  18  -3.809  -8.306  11.908
  156    H    LEU  19           H        LEU  19  -1.597 -11.393   2.679
  157    HA   LEU  19           HA       LEU  19  -1.813 -14.307   2.946
  158   1HB   LEU  19          1HB       LEU  19  -3.928 -12.373   2.724
  159   2HB   LEU  19          2HB       LEU  19  -3.909 -13.387   1.293
  160    HG   LEU  19           HG       LEU  19  -5.420 -14.306   2.932
  161   1HD1  LEU  19          1HD1      LEU  19  -3.919 -15.801   1.495
  162   2HD1  LEU  19          2HD1      LEU  19  -3.005 -16.115   2.991
  163   3HD1  LEU  19          3HD1      LEU  19  -4.729 -16.546   2.894
  164   1HD2  LEU  19          1HD2      LEU  19  -4.336 -13.287   4.927
  165   2HD2  LEU  19          2HD2      LEU  19  -4.774 -14.999   5.142
  166   3HD2  LEU  19          3HD2      LEU  19  -3.079 -14.545   4.840
  167    H    VAL  20           H        VAL  20   0.223 -12.412   1.737
  168    HA   VAL  20           HA       VAL  20   0.053 -12.097  -0.935
  169    HB   VAL  20           HB       VAL  20   1.942 -11.280   0.127
  170   1HG1  VAL  20          1HG1      VAL  20   2.872 -12.207   1.932
  171   2HG1  VAL  20          2HG1      VAL  20   1.727 -13.559   1.761
  172   3HG1  VAL  20          3HG1      VAL  20   3.339 -13.658   1.014
  173   1HG2  VAL  20          1HG2      VAL  20   2.452 -12.200  -2.106
  174   2HG2  VAL  20          2HG2      VAL  20   3.863 -12.257  -1.022
  175   3HG2  VAL  20          3HG2      VAL  20   2.934 -13.739  -1.354
  176    H    THR  21           H        THR  21   1.473 -15.064   0.625
  177    HA   THR  21           HA       THR  21   0.333 -16.607  -1.602
  178    HB   THR  21           HB       THR  21   2.903 -15.953  -1.729
  179    HG1  THR  21           HG1      THR  21   2.239 -17.559  -3.146
  180   1HG2  THR  21          1HG2      THR  21   2.982 -18.421   0.079
  181   2HG2  THR  21          2HG2      THR  21   4.370 -17.534  -0.594
  182   3HG2  THR  21          3HG2      THR  21   3.359 -16.782   0.663
  183    H    GLY  22           H        GLY  22   1.459 -16.405   1.778
  184   1HA   GLY  22          1HA       GLY  22  -0.521 -17.918   2.874
  185   2HA   GLY  22          2HA       GLY  22   0.681 -19.102   2.397