*HEADER    VIRAL PROTEIN                           05-OCT-10   2L4G              
*TITLE     INFLUENZA HAEMAGGLUTININ FUSION PEPTIDE MUTANT G13A                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HAEMAGGLUTININ;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 346-365;                                      
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS;                              
*SOURCE   3 ORGANISM_TAXID: 132504;                                              
*SOURCE   4 STRAIN: X31;                                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET31B+                                   
*KEYWDS    FUSION PEPTIDE, VIRAL PROTEIN                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.L.LAI, L.K.TAMM                                                     
*REVDAT   1   20-OCT-10 2L4G    0                                                


  1 GLY  HN      3 PHE  HN      4.07                
  1 GLY  HA1     3 PHE  HN      4.76                
  1 GLY  HA2     2 LEU  HN      3.05                
  2 LEU  HN      2 LEU  HB2     2.74                
  2 LEU  HN      2 LEU  HB3     2.71                
  2 LEU  HN      2 LEU  QD1     5.60                
  2 LEU  HN      2 LEU  QD2     5.97                
  2 LEU  HN      3 PHE  HN      3.45                
  2 LEU  HA      2 LEU  QD1     3.58                
  2 LEU  HA      2 LEU  QD2     4.42                
  2 LEU  HA      3 PHE  HN      3.45                
  2 LEU  HA      4 GLY  HN      3.95                
  2 LEU  HA      5 ALA  HN      3.02                
  2 LEU  HA      5 ALA  QB      3.43                
  2 LEU  HB2     3 PHE  HN      3.48                
  2 LEU  HB3     2 LEU  QD2     3.43                
  2 LEU  HB3     3 PHE  HN      2.90                
  2 LEU  HB3     3 PHE  QD      7.62                
  2 LEU  QD1     3 PHE  HN      6.47                
  2 LEU  QD2     3 PHE  HN      5.50                
  3 PHE  HN      3 PHE  HB2     2.65                
  3 PHE  HN      3 PHE  HB3     2.83                
  3 PHE  HN      4 GLY  HN      2.90                
  3 PHE  HA      4 GLY  HN      3.36                
  3 PHE  HA      6 ILE  HN      3.45                
  3 PHE  HA      6 ILE  QG2     5.07                
  3 PHE  HA      6 ILE  HG12    5.50                
  3 PHE  HA      6 ILE  QD1     3.99                
  3 PHE  HB2     4 GLY  HN      3.61                
  3 PHE  HB3     4 GLY  HN      3.52                
  3 PHE  QD      4 GLY  HN      7.62                
  3 PHE  QD      6 ILE  HA      7.62                
  3 PHE  QD      6 ILE  HB      7.62                
  3 PHE  QD      6 ILE  QG2     7.53                
  3 PHE  QD      6 ILE  QD1     6.94                
  3 PHE  QD      7 ALA  QB      7.84                
  4 GLY  QA      7 ALA  QB      5.51                
  5 ALA  HN      5 ALA  QB      3.43                
  5 ALA  HA      7 ALA  HN      3.95                
  6 ILE  HN      6 ILE  HB      2.52                
  6 ILE  HN      6 ILE  HG12    2.77                
  6 ILE  HN      6 ILE  HG13    3.52                
  6 ILE  HN      6 ILE  QD1     4.11                
  6 ILE  HA      6 ILE  QG2     3.49                
  6 ILE  HA      6 ILE  HG12    3.24                
  6 ILE  HA      6 ILE  HG13    3.17                
  6 ILE  HA      6 ILE  QD1     4.45                
  6 ILE  HB      6 ILE  QD1     3.43                
  6 ILE  HB      7 ALA  HN      2.80                
  6 ILE  HG12    7 ALA  HN      5.22                
  6 ILE  HG13    7 ALA  HN      5.50    
  6 ILE  HA      9 PHE  HN      3.76
  6 ILE  HA      9 PHE  QB      4.85  
  7 ALA  QB      9 PHE  HN      6.40 
  6 ILE  HA      9 PHE  QB      4.33        
  7 ALA  HN      7 ALA  QB      3.43                
  7 ALA  HA     10 ILE  QG2     4.05                
  7 ALA  HA     10 ILE  HG12    5.50                
  7 ALA  HA     10 ILE  HG13    4.63                
  7 ALA  HA     10 ILE  QD1     4.02                
  7 ALA  QB      8 GLY  HN      3.49   
  8 GLY  HN      9 PHE  HN      2.80  
  8 GLY  HN      9 PHE  HN      3.55 
  9 PHE  HN      9 PHE  QB      3.52
  9 PHE  HN     10 ILE  HN      3.36
  9 PHE  HN     10 ILE  QG2     6.53   
  9 PHE  HN     10 ILE  HN      3.27
  9 PHE  HN     10 ILE  QD1     6.53
  9 PHE  QB     10 ILE  QG1     7.40   
  9 PHE  HN      9 PHE  QB      3.71                
  9 PHE  HN     10 ILE  HN      2.80                
  9 PHE  HA     12 ASN  HN      3.14                
  9 PHE  HA     12 ASN  QB      5.07                
  9 PHE  QB     10 ILE  HN      4.14                
  9 PHE  QD     10 ILE  HN      7.62                
  9 PHE  QD     10 ILE  HA      7.44                
  9 PHE  QD     10 ILE  HB      7.62                
  9 PHE  QD     10 ILE  QG2     7.38                
  9 PHE  QD     10 ILE  HG12    6.97                
  9 PHE  QD     10 ILE  HG13    7.62                
  9 PHE  QD     10 ILE  QD1     7.47                
  9 PHE  QE     10 ILE  QG2     8.65                
  9 PHE  QE     10 ILE  QD1     8.65  
  9 PHE  QD     14 TRP  HA      7.62 
 10 ILE  HN     10 ILE  HB      2.68                
 10 ILE  HN     10 ILE  HG12    2.93                
 10 ILE  HN     10 ILE  QD1     4.64                
 10 ILE  HA     10 ILE  QG2     3.58                
 10 ILE  HA     10 ILE  HG12    3.61                
 10 ILE  HA     10 ILE  HG13    3.14                
 10 ILE  HA     10 ILE  QD1     4.17                
 10 ILE  HA     14 TRP  HN      4.32                
 10 ILE  HA     14 TRP  HE3     5.50                
 10 ILE  QG2    11 GLU- HN      4.48                
 10 ILE  QG2    14 TRP  HE3     5.32                
 11 GLU- HN     11 GLU- QB      3.80                
 11 GLU- HN     11 GLU- HG2     3.89                
 11 GLU- HN     11 GLU- HG3     4.76                
 11 GLU- HN     12 ASN  HN      2.71                
 11 GLU- HA     11 GLU- HG2     4.23                
 11 GLU- HA     11 GLU- HG3     3.67                
 11 GLU- HA     14 TRP  QB      5.57                
 11 GLU- QB     12 ASN  HN      3.93                
 12 ASN  HN     12 ASN  HD21    5.50                
 12 ASN  HN     12 ASN  HD22    5.50                
 12 ASN  HA     13 GLY  HN      3.27                
 10 ILE  HA     13 ALA  HN      3.33          
 13 ALA  HN     14 TRP  HN      2.40            
 13 ALA  QB     14 TRP  HN      4.33            
 12 ASN  HN     13 ALA  QB      4.98        
 10 ILE  HN     13 ALA  QB      4.64            
 13 ALA  QB     16 GLY  HN      5.63            
  9 PHE  QR     13 ALA  QB      8.05           
  9 PHE  HN     13 ALA  QB      5.60            
 13 ALA  QB     14 TRP  HD1     6.53            
 10 ILE  HA     13 ALA  QB      3.77            
 13 ALA  QB     14 TRP  QB      5.12            
 14 TRP  HN     14 TRP  QB      3.77                
 14 TRP  HN     14 TRP  HD1     5.07                
 14 TRP  HN     15 GLU- HN      3.05                
 14 TRP  HA     14 TRP  HD1     4.88                
 14 TRP  HA     17 MET  QB      4.11                
 14 TRP  QB     15 GLU- HN      4.21                
 14 TRP  HD1    15 GLU- HN      5.16                
 14 TRP  HD1    15 GLU- HA      4.94                
 14 TRP  HD1    15 GLU- QB      6.38                
 14 TRP  HD1    18 ILE  HA      5.38                
 14 TRP  HD1    18 ILE  QG2     6.53                
 14 TRP  HD1    18 ILE  QD1     6.12                
 14 TRP  HE3    15 GLU- HA      5.50                
 14 TRP  HE3    18 ILE  QD1     6.53                
 14 TRP  HE1    18 ILE  QG2     6.53                
 14 TRP  HE1    18 ILE  QD1     5.75                
 14 TRP  HZ2    18 ILE  QG2     6.34                
 14 TRP  HZ2    18 ILE  QD1     6.03                
 15 GLU- HN     15 GLU- QB      3.56                
 15 GLU- HN     15 GLU- QG      4.98                
 15 GLU- HN     16 GLY  HN      3.08                
 15 GLU- HA     18 ILE  HN      3.79                
 15 GLU- HA     18 ILE  HB      4.26                
 15 GLU- HA     18 ILE  QG2     5.57                
 15 GLU- HA     18 ILE  HG13    5.50                
 15 GLU- HA     18 ILE  QD1     5.19                
 15 GLU- QB     16 GLY  HN      4.27                
 15 GLU- QG     16 GLY  HN      6.38                
 16 GLY  HN     18 ILE  HN      4.07                
 16 GLY  HA1    19 ASP- QB      5.66                
 16 GLY  HA2    19 ASP- QB      6.38                
 17 MET  HN     17 MET  QB      3.77                
 17 MET  HN     17 MET  HG2     4.26                
 17 MET  HN     17 MET  HG3     4.51                
 17 MET  HN     18 ILE  HN      3.05                
 17 MET  HA     17 MET  HG3     4.17                
 17 MET  HA     18 ILE  HN      3.36                
 17 MET  HA     19 ASP- HN      4.76                
 17 MET  QB     18 ILE  HN      4.33                
 18 ILE  HN     18 ILE  HB      2.90                
 18 ILE  HN     18 ILE  QG2     4.36                
 18 ILE  HN     18 ILE  HG12    3.89                
 18 ILE  HN     18 ILE  HG13    3.52                
 18 ILE  HN     18 ILE  QD1     5.54                
 18 ILE  HN     19 ASP- HN      2.99                
 18 ILE  HA     18 ILE  QD1     4.30                
 18 ILE  HB     19 ASP- HN      3.05                
 18 ILE  QG2    19 ASP- HN      4.73                
 18 ILE  QD1    19 ASP- HN      6.53                
 19 ASP- HA     20 GLY  HN      3.76                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1 -14.725  -3.674  -0.019
    2    HA2  GLY   1           1HA      GLY   1 -14.392  -1.433  -0.149
    3    HA3  GLY   1           2HA      GLY   1 -15.027  -1.236   1.473
    4    H    LEU   2           H        LEU   2 -13.133  -3.377   2.556
    5    HA   LEU   2           HA       LEU   2 -10.991  -1.579   3.126
    6    HB3  LEU   2           2HB      LEU   2 -10.963  -4.458   3.906
    7    HG   LEU   2           HG       LEU   2  -9.336  -2.578   4.750
    8   HD11  LEU   2          1HD1      LEU   2 -10.702  -0.857   5.470
    9   HD12  LEU   2          2HD1      LEU   2 -11.897  -1.960   6.194
   10   HD13  LEU   2          3HD1      LEU   2 -10.327  -1.702   6.992
   11   HD21  LEU   2          3HD2      LEU   2  -9.816  -3.770   7.183
   12   HD22  LEU   2          1HD2      LEU   2 -10.520  -4.930   6.031
   13   HD23  LEU   2          2HD2      LEU   2  -8.817  -4.438   5.871
   14    H    PHE   3           H        PHE   3 -11.333  -4.746   1.396
   15    HA   PHE   3           HA       PHE   3  -8.685  -5.036   0.700
   16    HB3  PHE   3           2HB      PHE   3 -10.869  -5.706  -1.282
   17    HD1  PHE   3           2HD      PHE   3  -8.423  -6.121  -2.271
   18    HD2  PHE   3           1HD      PHE   3 -10.234  -8.434   0.792
   19    HE1  PHE   3           2HE      PHE   3  -6.898  -8.037  -2.816
   20    HE2  PHE   3           1HE      PHE   3  -8.708 -10.350   0.246
   21    HZ   PHE   3           HZ       PHE   3  -7.057 -10.129  -1.552
   22    H    GLY   4           H        GLY   4 -11.083  -2.754  -0.471
   23    HA2  GLY   4           1HA      GLY   4  -9.657  -2.230  -2.953
   24    HA3  GLY   4           2HA      GLY   4 -11.136  -1.480  -2.386
   25    H    ALA   5           H        ALA   5  -9.739  -1.127   0.393
   26    HA   ALA   5           HA       ALA   5  -8.682   1.476  -0.241
   27    HB1  ALA   5           1HB      ALA   5  -8.744   1.808   2.157
   28    HB2  ALA   5           2HB      ALA   5 -10.248   0.987   1.673
   29    HB3  ALA   5           3HB      ALA   5  -8.936   0.061   2.441
   30    H    ILE   6           H        ILE   6  -7.527  -1.779   0.508
   31    HA   ILE   6           HA       ILE   6  -5.089  -1.345   1.597
   32    HB   ILE   6           HB       ILE   6  -5.807  -3.312  -0.579
   33   HG13  ILE   6          2HG1      ILE   6  -7.376  -3.599   1.163
   34   HG21  ILE   6          1HG2      ILE   6  -3.292  -2.788   0.283
   35   HG22  ILE   6          2HG2      ILE   6  -3.795  -4.018   1.466
   36   HG23  ILE   6          3HG2      ILE   6  -3.852  -4.383  -0.275
   37   HD11  ILE   6          3HD1      ILE   6  -5.695  -5.609   0.501
   38   HD12  ILE   6          1HD1      ILE   6  -5.300  -5.482   2.232
   39   HD13  ILE   6          2HD1      ILE   6  -6.974  -5.807   1.723
   40    H    ALA   7           H        ALA   7  -6.042  -0.973  -1.862
   41    HA   ALA   7           HA       ALA   7  -3.610  -0.574  -3.001
   42    HB1  ALA   7           1HB      ALA   7  -5.256   1.339  -4.192
   43    HB2  ALA   7           2HB      ALA   7  -5.137  -0.376  -4.650
   44    HB3  ALA   7           3HB      ALA   7  -6.402   0.157  -3.516
   45    H    GLY   8           H        GLY   8  -5.581   1.758  -1.078
   46    HA2  GLY   8           1HA      GLY   8  -3.904   3.990  -1.482
   47    HA3  GLY   8           2HA      GLY   8  -5.074   3.765  -0.198
   48    H    PHE   9           H        PHE   9  -3.791   1.184   0.727
   49    HA   PHE   9           HA       PHE   9  -1.905   2.414   2.485
   50    HB3  PHE   9           2HB      PHE   9  -2.329  -0.581   2.134
   51    HD1  PHE   9           1HD      PHE   9  -0.088  -0.079   3.510
   52    HD2  PHE   9           2HD      PHE   9  -4.027   0.599   4.932
   53    HE1  PHE   9           1HE      PHE   9   0.746  -0.194   5.875
   54    HE2  PHE   9           2HE      PHE   9  -3.194   0.484   7.298
   55    HZ   PHE   9           HZ       PHE   9  -0.818   0.088   7.740
   56    H    ILE  10           H        ILE  10  -1.798   0.608  -0.540
   57    HA   ILE  10           HA       ILE  10   0.714  -0.545  -0.318
   58    HB   ILE  10           HB       ILE  10  -0.740   0.521  -2.740
   59   HG13  ILE  10          2HG1      ILE  10  -2.154  -1.060  -1.718
   60   HG21  ILE  10          1HG2      ILE  10   1.635   0.221  -3.213
   61   HG22  ILE  10          2HG2      ILE  10   1.568  -1.436  -2.567
   62   HG23  ILE  10          3HG2      ILE  10   0.658  -1.018  -4.038
   63   HD11  ILE  10          3HD1      ILE  10  -2.260  -2.803  -3.317
   64   HD12  ILE  10          1HD1      ILE  10  -1.402  -1.508  -4.187
   65   HD13  ILE  10          2HD1      ILE  10  -0.490  -2.871  -3.494
   66    H    GLU  11           H        GLU  11  -0.298   2.809  -0.753
   67    HA   GLU  11           HA       GLU  11   2.026   3.771  -1.898
   68    HB3  GLU  11           2HB      GLU  11   1.271   5.983  -0.852
   69    HG3  GLU  11           2HG      GLU  11  -0.975   4.419  -2.201
   70    H    ASN  12           H        ASN  12   1.372   2.546   1.297
   71    HA   ASN  12           HA       ASN  12   3.831   3.791   2.242
   72    HB3  ASN  12           2HB      ASN  12   2.208   2.385   4.273
   73   HD21  ASN  12          1HD2      ASN  12   2.634   5.699   3.032
   74   HD22  ASN  12          2HD2      ASN  12   3.461   6.344   4.410
   75    H    ALA  13           H        ALA  13   1.925   0.788   1.780
   76    HA   ALA  13           HA       ALA  13   3.823  -0.898   3.089
   77    HB1  ALA  13           1HB      ALA  13   2.211  -2.445   1.387
   78    HB2  ALA  13           2HB      ALA  13   1.926  -2.110   3.112
   79    HB3  ALA  13           3HB      ALA  13   1.179  -1.077   1.868
   80    H    TRP  14           H        TRP  14   3.670   0.741   0.063
   81    HA   TRP  14           HA       TRP  14   5.418  -1.241  -1.198
   82    HB3  TRP  14           2HB      TRP  14   4.100   1.173  -2.446
   83    HD1  TRP  14           HD       TRP  14   6.492  -1.735  -3.009
   84    HE1  TRP  14           1HE      TRP  14   7.254  -1.910  -5.529
   85    HE3  TRP  14           3HE      TRP  14   3.145   1.647  -4.804
   86    HZ2  TRP  14           2HZ      TRP  14   6.392  -0.643  -7.937
   87    HZ3  TRP  14           3HZ      TRP  14   3.172   2.120  -7.252
   88    HH2  TRP  14           HH       TRP  14   4.722   1.038  -8.801
   89    H    GLU  15           H        GLU  15   5.173   2.376  -1.371
   90    HA   GLU  15           HA       GLU  15   7.688   2.955  -1.891
   91    HB3  GLU  15           2HB      GLU  15   6.265   4.541   0.267
   92    HG3  GLU  15           2HG      GLU  15   7.058   6.183  -1.860
   93    H    GLY  16           H        GLY  16   6.435   1.825   1.251
   94    HA2  GLY  16           1HA      GLY  16   8.685   2.465   2.828
   95    HA3  GLY  16           2HA      GLY  16   7.456   1.265   3.175
   96    H    MET  17           H        MET  17   7.656  -0.642   1.230
   97    HA   MET  17           HA       MET  17  10.012  -1.955   1.985
   98    HB3  MET  17           2HB      MET  17   7.776  -2.465  -0.027
   99    HG3  MET  17           2HG      MET  17  10.325  -4.065   0.409
  100    HE1  MET  17           3HE      MET  17   9.213  -7.473  -1.151
  101    HE2  MET  17           1HE      MET  17   9.832  -6.038  -2.005
  102    HE3  MET  17           2HE      MET  17  10.557  -6.534  -0.458
  103    H    ILE  18           H        ILE  18   9.482   0.502  -0.292
  104    HA   ILE  18           HA       ILE  18  11.527  -0.501  -2.116
  105    HB   ILE  18           HB       ILE  18   9.694   1.893  -2.293
  106   HG13  ILE  18          2HG1      ILE  18   8.246   0.662  -3.580
  107   HG21  ILE  18          1HG2      ILE  18  11.637   2.429  -3.528
  108   HG22  ILE  18          2HG2      ILE  18  11.765   0.784  -4.196
  109   HG23  ILE  18          3HG2      ILE  18  10.441   1.856  -4.715
  110   HD11  ILE  18          3HD1      ILE  18   8.947  -1.613  -4.561
  111   HD12  ILE  18          1HD1      ILE  18   9.690  -0.177  -5.304
  112   HD13  ILE  18          2HD1      ILE  18  10.618  -1.160  -4.147
  113    H    ASP  19           H        ASP  19  10.922   1.801   0.496
  114    HA   ASP  19           HA       ASP  19  12.147   3.342   1.429
  115    HB3  ASP  19           2HB      ASP  19  14.414   1.453   0.639
  116    H    GLY  20           H        GLY  20  11.632   4.766  -0.561
  117    HA2  GLY  20           1HA      GLY  20  13.766   6.284  -1.372
  118    HA3  GLY  20           2HA      GLY  20  13.609   5.054  -2.609
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1 -14.797  -4.078   0.827
    2    HA2  GLY   1           1HA      GLY   1 -14.351  -1.891   0.563
    3    HA3  GLY   1           2HA      GLY   1 -14.885  -1.638   2.213
    4    H    LEU   2           H        LEU   2 -12.819  -3.631   3.266
    5    HA   LEU   2           HA       LEU   2 -10.734  -1.708   3.595
    6    HB2  LEU   2           1HB      LEU   2 -11.766  -3.530   5.213
    7    HB3  LEU   2           2HB      LEU   2 -10.513  -4.538   4.515
    8    HG   LEU   2           HG       LEU   2  -9.026  -2.373   5.150
    9   HD11  LEU   2          1HD1      LEU   2 -11.344  -1.536   6.208
   10   HD12  LEU   2          2HD1      LEU   2 -10.707  -2.449   7.597
   11   HD13  LEU   2          3HD1      LEU   2  -9.753  -1.122   6.891
   12   HD21  LEU   2          3HD2      LEU   2  -9.533  -4.996   6.268
   13   HD22  LEU   2          1HD2      LEU   2  -8.007  -4.090   6.123
   14   HD23  LEU   2          2HD2      LEU   2  -9.062  -3.836   7.534
   15    H    PHE   3           H        PHE   3 -11.036  -4.976   2.055
   16    HA   PHE   3           HA       PHE   3  -8.430  -5.180   1.190
   17    HB2  PHE   3           1HB      PHE   3 -10.791  -6.617   1.059
   18    HB3  PHE   3           2HB      PHE   3 -10.707  -6.055  -0.599
   19    HD1  PHE   3           2HD      PHE   3  -7.937  -7.095   1.664
   20    HD2  PHE   3           1HD      PHE   3 -10.180  -7.951  -1.835
   21    HE1  PHE   3           2HE      PHE   3  -6.358  -8.967   1.110
   22    HE2  PHE   3           1HE      PHE   3  -8.601  -9.823  -2.389
   23    HZ   PHE   3           HZ       PHE   3  -6.709 -10.308  -0.910
   24    H    GLY   4           H        GLY   4 -11.011  -3.076   0.077
   25    HA2  GLY   4           1HA      GLY   4  -9.782  -2.621  -2.522
   26    HA3  GLY   4           2HA      GLY   4 -11.255  -1.910  -1.892
   27    H    ALA   5           H        ALA   5  -9.693  -1.347   0.763
   28    HA   ALA   5           HA       ALA   5  -8.811   1.265  -0.073
   29    HB1  ALA   5           1HB      ALA   5  -8.958   1.814   2.195
   30    HB2  ALA   5           2HB      ALA   5 -10.199   0.547   2.036
   31    HB3  ALA   5           3HB      ALA   5  -8.606   0.152   2.725
   32    H    ILE   6           H        ILE   6  -7.449  -1.888   0.755
   33    HA   ILE   6           HA       ILE   6  -4.968  -1.286   1.649
   34    HB   ILE   6           HB       ILE   6  -5.733  -3.397  -0.373
   35   HG12  ILE   6          1HG1      ILE   6  -5.900  -3.282   2.639
   36   HG13  ILE   6          2HG1      ILE   6  -7.165  -3.662   1.487
   37   HG21  ILE   6          1HG2      ILE   6  -3.791  -4.626   0.408
   38   HG22  ILE   6          2HG2      ILE   6  -3.300  -3.041  -0.236
   39   HG23  ILE   6          3HG2      ILE   6  -3.369  -3.304   1.523
   40   HD11  ILE   6          3HD1      ILE   6  -5.768  -5.706   0.795
   41   HD12  ILE   6          1HD1      ILE   6  -4.747  -5.365   2.213
   42   HD13  ILE   6          2HD1      ILE   6  -6.469  -5.761   2.430
   43    H    ALA   7           H        ALA   7  -6.168  -1.142  -1.751
   44    HA   ALA   7           HA       ALA   7  -3.841  -0.692  -3.074
   45    HB1  ALA   7           1HB      ALA   7  -5.312   0.735  -4.604
   46    HB2  ALA   7           2HB      ALA   7  -5.902  -0.910  -4.265
   47    HB3  ALA   7           3HB      ALA   7  -6.620   0.484  -3.422
   48    H    GLY   8           H        GLY   8  -5.792   1.646  -1.137
   49    HA2  GLY   8           1HA      GLY   8  -4.257   3.927  -1.767
   50    HA3  GLY   8           2HA      GLY   8  -5.325   3.717  -0.394
   51    H    PHE   9           H        PHE   9  -3.857   1.249   0.564
   52    HA   PHE   9           HA       PHE   9  -1.922   2.655   2.123
   53    HB2  PHE   9           1HB      PHE   9  -3.585   0.401   2.339
   54    HB3  PHE   9           2HB      PHE   9  -2.020  -0.343   2.082
   55    HD1  PHE   9           2HD      PHE   9  -0.265   1.579   3.534
   56    HD2  PHE   9           1HD      PHE   9  -4.038  -0.056   4.580
   57    HE1  PHE   9           2HE      PHE   9   0.277   1.883   5.965
   58    HE2  PHE   9           1HE      PHE   9  -3.496   0.247   7.012
   59    HZ   PHE   9           HZ       PHE   9  -1.344   1.214   7.676
   60    H    ILE  10           H        ILE  10  -1.929   0.698  -0.807
   61    HA   ILE  10           HA       ILE  10   0.646  -0.326  -0.703
   62    HB   ILE  10           HB       ILE  10  -1.017   0.543  -3.069
   63   HG12  ILE  10          1HG1      ILE  10  -0.875  -2.004  -1.460
   64   HG13  ILE  10          2HG1      ILE  10  -2.281  -1.043  -1.874
   65   HG21  ILE  10          1HG2      ILE  10   1.334   0.326  -3.688
   66   HG22  ILE  10          2HG2      ILE  10   1.389  -1.297  -2.959
   67   HG23  ILE  10          3HG2      ILE  10   0.364  -0.995  -4.382
   68   HD11  ILE  10          3HD1      ILE  10  -0.584  -2.703  -3.791
   69   HD12  ILE  10          1HD1      ILE  10  -2.265  -3.017  -3.297
   70   HD13  ILE  10          2HD1      ILE  10  -1.886  -1.607  -4.313
   71    H    GLU  11           H        GLU  11  -0.556   2.951  -1.233
   72    HA   GLU  11           HA       GLU  11   1.637   3.956  -2.583
   73    HB2  GLU  11           1HB      GLU  11  -0.786   4.944  -1.498
   74    HB3  GLU  11           2HB      GLU  11   0.471   5.895  -0.730
   75    HG2  GLU  11           1HG      GLU  11   0.611   5.420  -3.717
   76    HG3  GLU  11           2HG      GLU  11  -0.513   6.614  -3.099
   77    H    ASN  12           H        ASN  12   1.259   2.872   0.706
   78    HA   ASN  12           HA       ASN  12   3.711   4.277   1.415
   79    HB2  ASN  12           1HB      ASN  12   1.983   2.866   3.464
   80    HB3  ASN  12           2HB      ASN  12   2.998   4.279   3.675
   81   HD21  ASN  12          1HD2      ASN  12   1.899   6.028   4.065
   82   HD22  ASN  12          2HD2      ASN  12   0.373   6.493   3.389
   83    H    ALA  13           H        ALA  13   1.928   1.170   1.237
   84    HA   ALA  13           HA       ALA  13   3.990  -0.356   2.494
   85    HB1  ALA  13           1HB      ALA  13   2.105  -1.797   0.761
   86    HB2  ALA  13           2HB      ALA  13   2.388  -1.947   2.512
   87    HB3  ALA  13           3HB      ALA  13   1.293  -0.688   1.892
   88    H    TRP  14           H        TRP  14   3.555   1.112  -0.592
   89    HA   TRP  14           HA       TRP  14   5.310  -0.854  -1.871
   90    HB2  TRP  14           1HB      TRP  14   3.136  -0.183  -2.944
   91    HB3  TRP  14           2HB      TRP  14   3.795   1.429  -3.142
   92    HD1  TRP  14           HD       TRP  14   6.282  -1.392  -3.727
   93    HE1  TRP  14           1HE      TRP  14   6.881  -1.666  -6.282
   94    HE3  TRP  14           3HE      TRP  14   2.661   1.733  -5.451
   95    HZ2  TRP  14           2HZ      TRP  14   5.798  -0.569  -8.683
   96    HZ3  TRP  14           3HZ      TRP  14   2.500   2.077  -7.915
   97    HH2  TRP  14           HH       TRP  14   3.994   0.985  -9.512
   98    H    GLU  15           H        GLU  15   4.877   2.735  -2.206
   99    HA   GLU  15           HA       GLU  15   7.320   3.399  -2.928
  100    HB2  GLU  15           1HB      GLU  15   5.109   4.774  -2.002
  101    HB3  GLU  15           2HB      GLU  15   6.298   5.185  -0.782
  102    HG2  GLU  15           1HG      GLU  15   6.617   6.859  -2.425
  103    HG3  GLU  15           2HG      GLU  15   7.899   5.716  -2.773
  104    H    GLY  16           H        GLY  16   6.301   2.609   0.432
  105    HA2  GLY  16           1HA      GLY  16   8.719   3.326   1.701
  106    HA3  GLY  16           2HA      GLY  16   7.481   2.247   2.313
  107    H    MET  17           H        MET  17   7.444   0.173   0.422
  108    HA   MET  17           HA       MET  17   9.697  -1.263   1.238
  109    HB2  MET  17           1HB      MET  17   7.219  -1.671  -0.340
  110    HB3  MET  17           2HB      MET  17   8.553  -2.616  -0.972
  111    HG2  MET  17           1HG      MET  17   7.491  -4.011   0.676
  112    HG3  MET  17           2HG      MET  17   8.975  -3.447   1.419
  113    HE1  MET  17           3HE      MET  17   8.037  -2.510   4.546
  114    HE2  MET  17           1HE      MET  17   7.070  -3.958   4.173
  115    HE3  MET  17           2HE      MET  17   8.686  -3.758   3.454
  116    H    ILE  18           H        ILE  18   9.359   1.108  -1.164
  117    HA   ILE  18           HA       ILE  18  11.293  -0.136  -2.952
  118    HB   ILE  18           HB       ILE  18   9.634   2.378  -3.142
  119   HG12  ILE  18          1HG1      ILE  18   9.496  -0.122  -4.841
  120   HG13  ILE  18          2HG1      ILE  18   8.533   0.090  -3.391
  121   HG21  ILE  18          1HG2      ILE  18  11.115   3.158  -4.602
  122   HG22  ILE  18          2HG2      ILE  18  12.071   1.658  -4.529
  123   HG23  ILE  18          3HG2      ILE  18  10.702   1.786  -5.660
  124   HD11  ILE  18          3HD1      ILE  18   7.245   1.810  -4.314
  125   HD12  ILE  18          1HD1      ILE  18   8.530   2.303  -5.444
  126   HD13  ILE  18          2HD1      ILE  18   7.583   0.831  -5.763
  127    H    ASP  19           H        ASP  19  10.957   2.314  -0.417
  128    HA   ASP  19           HA       ASP  19  13.716   3.083  -0.939
  129    HB2  ASP  19           1HB      ASP  19  13.254   5.142   0.251
  130    HB3  ASP  19           2HB      ASP  19  11.963   4.905  -0.910
  131    H    GLY  20           H        GLY  20  14.148   4.219   1.719
  132    HA2  GLY  20           1HA      GLY  20  14.824   1.861   3.170
  133    HA3  GLY  20           2HA      GLY  20  15.030   3.525   3.678
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1 -14.790  -3.993   2.625
    2    HA2  GLY   1           1HA      GLY   1 -14.328  -1.930   0.592
    3    HA3  GLY   1           2HA      GLY   1 -14.853  -1.690   2.246
    4    H    LEU   2           H        LEU   2 -12.774  -3.681   3.275
    5    HA   LEU   2           HA       LEU   2 -10.695  -1.752   3.606
    6    HB2  LEU   2           1HB      LEU   2 -11.711  -3.590   5.216
    7    HB3  LEU   2           2HB      LEU   2 -10.458  -4.589   4.505
    8    HG   LEU   2           HG       LEU   2  -8.900  -2.545   5.141
    9   HD11  LEU   2          1HD1      LEU   2 -10.772  -2.279   7.454
   10   HD12  LEU   2          2HD1      LEU   2  -9.568  -1.136   6.811
   11   HD13  LEU   2          3HD1      LEU   2 -11.118  -1.364   5.967
   12   HD21  LEU   2          3HD2      LEU   2  -9.775  -4.956   6.574
   13   HD22  LEU   2          1HD2      LEU   2  -8.139  -4.361   6.205
   14   HD23  LEU   2          2HD2      LEU   2  -9.022  -3.722   7.612
   15    H    PHE   3           H        PHE   3 -10.992  -5.012   2.045
   16    HA   PHE   3           HA       PHE   3  -8.390  -5.200   1.165
   17    HB2  PHE   3           1HB      PHE   3 -10.747  -6.645   1.037
   18    HB3  PHE   3           2HB      PHE   3 -10.673  -6.071  -0.618
   19    HD1  PHE   3           1HD      PHE   3  -8.781  -6.734  -2.074
   20    HD2  PHE   3           2HD      PHE   3  -9.249  -8.338   1.825
   21    HE1  PHE   3           1HE      PHE   3  -7.199  -8.594  -2.650
   22    HE2  PHE   3           2HE      PHE   3  -7.667 -10.199   1.251
   23    HZ   PHE   3           HZ       PHE   3  -6.660 -10.305  -0.981
   24    H    GLY   4           H        GLY   4 -10.985  -3.099   0.080
   25    HA2  GLY   4           1HA      GLY   4  -9.771  -2.620  -2.522
   26    HA3  GLY   4           2HA      GLY   4 -11.244  -1.921  -1.879
   27    H    ALA   5           H        ALA   5  -9.668  -1.371   0.770
   28    HA   ALA   5           HA       ALA   5  -8.804   1.252  -0.051
   29    HB1  ALA   5           1HB      ALA   5 -10.193   0.870   1.972
   30    HB2  ALA   5           2HB      ALA   5  -8.874  -0.093   2.681
   31    HB3  ALA   5           3HB      ALA   5  -8.639   1.643   2.368
   32    H    ILE   6           H        ILE   6  -7.425  -1.902   0.749
   33    HA   ILE   6           HA       ILE   6  -4.942  -1.294   1.637
   34    HB   ILE   6           HB       ILE   6  -5.707  -3.393  -0.396
   35   HG12  ILE   6          1HG1      ILE   6  -5.862  -3.300   2.617
   36   HG13  ILE   6          2HG1      ILE   6  -7.129  -3.678   1.467
   37   HG21  ILE   6          1HG2      ILE   6  -3.344  -3.329   1.500
   38   HG22  ILE   6          2HG2      ILE   6  -3.754  -4.614   0.338
   39   HG23  ILE   6          3HG2      ILE   6  -3.267  -3.005  -0.249
   40   HD11  ILE   6          3HD1      ILE   6  -5.866  -5.743   0.783
   41   HD12  ILE   6          1HD1      ILE   6  -4.653  -5.372   2.032
   42   HD13  ILE   6          2HD1      ILE   6  -6.328  -5.752   2.502
   43    H    ALA   7           H        ALA   7  -6.158  -1.131  -1.756
   44    HA   ALA   7           HA       ALA   7  -3.838  -0.661  -3.086
   45    HB1  ALA   7           1HB      ALA   7  -6.215   1.053  -3.725
   46    HB2  ALA   7           2HB      ALA   7  -5.206   0.055  -4.801
   47    HB3  ALA   7           3HB      ALA   7  -6.426  -0.714  -3.758
   48    H    GLY   8           H        GLY   8  -5.791   1.655  -1.125
   49    HA2  GLY   8           1HA      GLY   8  -4.270   3.948  -1.745
   50    HA3  GLY   8           2HA      GLY   8  -5.334   3.723  -0.370
   51    H    PHE   9           H        PHE   9  -3.850   1.255   0.566
   52    HA   PHE   9           HA       PHE   9  -1.914   2.660   2.128
   53    HB2  PHE   9           1HB      PHE   9  -3.474   0.758   2.865
   54    HB3  PHE   9           2HB      PHE   9  -2.594  -0.326   1.807
   55    HD1  PHE   9           2HD      PHE   9  -1.744   2.165   4.468
   56    HD2  PHE   9           1HD      PHE   9  -1.102  -1.712   2.865
   57    HE1  PHE   9           2HE      PHE   9  -0.130   1.664   6.325
   58    HE2  PHE   9           1HE      PHE   9   0.511  -2.212   4.721
   59    HZ   PHE   9           HZ       PHE   9   0.978  -0.519   6.429
   60    H    ILE  10           H        ILE  10  -1.924   0.723  -0.816
   61    HA   ILE  10           HA       ILE  10   0.657  -0.289  -0.730
   62    HB   ILE  10           HB       ILE  10  -1.020   0.589  -3.083
   63   HG12  ILE  10          1HG1      ILE  10  -0.858  -1.970  -1.494
   64   HG13  ILE  10          2HG1      ILE  10  -2.271  -1.013  -1.894
   65   HG21  ILE  10          1HG2      ILE  10   1.326   0.388  -3.716
   66   HG22  ILE  10          2HG2      ILE  10   1.397  -1.238  -2.994
   67   HG23  ILE  10          3HG2      ILE  10   0.363  -0.937  -4.411
   68   HD11  ILE  10          3HD1      ILE  10  -2.321  -2.913  -3.363
   69   HD12  ILE  10          1HD1      ILE  10  -1.788  -1.542  -4.365
   70   HD13  ILE  10          2HD1      ILE  10  -0.600  -2.728  -3.774
   71    H    GLU  11           H        GLU  11  -0.563   2.986  -1.233
   72    HA   GLU  11           HA       GLU  11   1.619   4.011  -2.583
   73    HB2  GLU  11           1HB      GLU  11  -0.627   5.107  -0.939
   74    HB3  GLU  11           2HB      GLU  11   0.752   6.167  -1.155
   75    HG2  GLU  11           1HG      GLU  11   0.560   5.502  -3.704
   76    HG3  GLU  11           2HG      GLU  11  -1.056   4.972  -3.280
   77    H    ASN  12           H        ASN  12   1.259   2.902   0.700
   78    HA   ASN  12           HA       ASN  12   3.707   4.313   1.410
   79    HB2  ASN  12           1HB      ASN  12   1.323   3.339   2.999
   80    HB3  ASN  12           2HB      ASN  12   2.877   3.384   3.808
   81   HD21  ASN  12          1HD2      ASN  12   4.163   5.460   3.351
   82   HD22  ASN  12          2HD2      ASN  12   3.302   6.955   3.519
   83    H    ALA  13           H        ALA  13   1.939   1.200   1.216
   84    HA   ALA  13           HA       ALA  13   4.012  -0.325   2.454
   85    HB1  ALA  13           1HB      ALA  13   1.329  -0.675   1.934
   86    HB2  ALA  13           2HB      ALA  13   2.081  -1.709   0.695
   87    HB3  ALA  13           3HB      ALA  13   2.451  -1.970   2.417
   88    H    TRP  14           H        TRP  14   3.559   1.162  -0.620
   89    HA   TRP  14           HA       TRP  14   5.318  -0.785  -1.919
   90    HB2  TRP  14           1HB      TRP  14   3.137  -0.118  -2.978
   91    HB3  TRP  14           2HB      TRP  14   3.787   1.499  -3.169
   92    HD1  TRP  14           HD       TRP  14   6.286  -1.307  -3.782
   93    HE1  TRP  14           1HE      TRP  14   6.876  -1.560  -6.341
   94    HE3  TRP  14           3HE      TRP  14   2.643   1.813  -5.471
   95    HZ2  TRP  14           2HZ      TRP  14   5.779  -0.452  -8.732
   96    HZ3  TRP  14           3HZ      TRP  14   2.472   2.174  -7.931
   97    HH2  TRP  14           HH       TRP  14   3.965   1.101  -9.542
   98    H    GLU  15           H        GLU  15   4.867   2.802  -2.227
   99    HA   GLU  15           HA       GLU  15   7.304   3.484  -2.954
  100    HB2  GLU  15           1HB      GLU  15   5.504   4.906  -0.951
  101    HB3  GLU  15           2HB      GLU  15   6.935   5.654  -1.633
  102    HG2  GLU  15           1HG      GLU  15   6.046   5.455  -3.904
  103    HG3  GLU  15           2HG      GLU  15   4.699   4.480  -3.347
  104    H    GLY  16           H        GLY  16   6.297   2.728   0.425
  105    HA2  GLY  16           1HA      GLY  16   8.769   3.401   1.634
  106    HA3  GLY  16           2HA      GLY  16   7.490   2.411   2.308
  107    H    MET  17           H        MET  17   7.324   0.294   0.435
  108    HA   MET  17           HA       MET  17   9.478  -1.256   1.300
  109    HB2  MET  17           1HB      MET  17   7.125  -1.559  -0.581
  110    HB3  MET  17           2HB      MET  17   8.393  -2.763  -0.695
  111    HG2  MET  17           1HG      MET  17   7.236  -2.033   2.018
  112    HG3  MET  17           2HG      MET  17   6.388  -3.159   0.977
  113    HE1  MET  17           3HE      MET  17   6.889  -5.431   0.600
  114    HE2  MET  17           1HE      MET  17   8.309  -5.093  -0.419
  115    HE3  MET  17           2HE      MET  17   8.422  -6.286   0.896
  116    H    ILE  18           H        ILE  18   9.313   1.092  -1.142
  117    HA   ILE  18           HA       ILE  18  11.193  -0.293  -2.884
  118    HB   ILE  18           HB       ILE  18   9.559   2.220  -3.114
  119   HG12  ILE  18          1HG1      ILE  18   9.642  -0.435  -4.554
  120   HG13  ILE  18          2HG1      ILE  18   8.313   0.278  -3.662
  121   HG21  ILE  18          1HG2      ILE  18  11.817   2.717  -3.959
  122   HG22  ILE  18          2HG2      ILE  18  11.713   1.307  -5.041
  123   HG23  ILE  18          3HG2      ILE  18  10.601   2.680  -5.259
  124   HD11  ILE  18          3HD1      ILE  18   9.373   1.013  -6.395
  125   HD12  ILE  18          1HD1      ILE  18   7.693   0.740  -5.875
  126   HD13  ILE  18          2HD1      ILE  18   8.531   2.245  -5.425
  127    H    ASP  19           H        ASP  19  10.940   2.323  -0.478
  128    HA   ASP  19           HA       ASP  19  13.738   2.927  -0.969
  129    HB2  ASP  19           1HB      ASP  19  13.367   4.998   0.183
  130    HB3  ASP  19           2HB      ASP  19  11.981   4.780  -0.865
  131    H    GLY  20           H        GLY  20  14.116   4.055   1.756
  132    HA2  GLY  20           1HA      GLY  20  14.439   1.535   3.217
  133    HA3  GLY  20           2HA      GLY  20  15.266   3.050   3.518
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1 -13.805  -4.402   1.293
    2    HA2  GLY   1           1HA      GLY   1 -14.297  -2.067   0.451
    3    HA3  GLY   1           2HA      GLY   1 -14.866  -1.760   2.081
    4    H    LEU   2           H        LEU   2 -12.780  -3.666   3.247
    5    HA   LEU   2           HA       LEU   2 -10.741  -1.687   3.537
    6    HB2  LEU   2           1HB      LEU   2 -11.764  -3.467   5.206
    7    HB3  LEU   2           2HB      LEU   2 -10.477  -4.474   4.571
    8    HG   LEU   2           HG       LEU   2  -9.139  -2.135   5.159
    9   HD11  LEU   2          1HD1      LEU   2 -11.567  -1.818   6.448
   10   HD12  LEU   2          2HD1      LEU   2 -10.497  -2.445   7.725
   11   HD13  LEU   2          3HD1      LEU   2 -10.047  -0.973   6.830
   12   HD21  LEU   2          3HD2      LEU   2  -8.310  -3.401   7.160
   13   HD22  LEU   2          1HD2      LEU   2  -9.536  -4.642   6.806
   14   HD23  LEU   2          2HD2      LEU   2  -8.250  -4.299   5.625
   15    H    PHE   3           H        PHE   3 -10.947  -5.019   2.122
   16    HA   PHE   3           HA       PHE   3  -8.322  -5.203   1.311
   17    HB2  PHE   3           1HB      PHE   3 -10.651  -6.692   1.196
   18    HB3  PHE   3           2HB      PHE   3 -10.547  -6.194  -0.482
   19    HD1  PHE   3           2HD      PHE   3  -7.850  -7.143   1.915
   20    HD2  PHE   3           1HD      PHE   3  -9.907  -8.069  -1.680
   21    HE1  PHE   3           2HE      PHE   3  -6.225  -9.001   1.464
   22    HE2  PHE   3           1HE      PHE   3  -8.281  -9.926  -2.131
   23    HZ   PHE   3           HZ       PHE   3  -6.459 -10.370  -0.554
   24    H    GLY   4           H        GLY   4 -10.924  -3.198   0.071
   25    HA2  GLY   4           1HA      GLY   4  -9.658  -2.818  -2.522
   26    HA3  GLY   4           2HA      GLY   4 -11.156  -2.115  -1.946
   27    H    ALA   5           H        ALA   5  -9.654  -1.417   0.711
   28    HA   ALA   5           HA       ALA   5  -8.811   1.179  -0.212
   29    HB1  ALA   5           1HB      ALA   5  -8.387   0.599   2.617
   30    HB2  ALA   5           2HB      ALA   5  -9.465   1.793   1.854
   31    HB3  ALA   5           3HB      ALA   5 -10.018   0.118   2.091
   32    H    ILE   6           H        ILE   6  -7.401  -1.910   0.764
   33    HA   ILE   6           HA       ILE   6  -4.949  -1.221   1.679
   34    HB   ILE   6           HB       ILE   6  -5.633  -3.425  -0.270
   35   HG12  ILE   6          1HG1      ILE   6  -5.859  -3.195   2.730
   36   HG13  ILE   6          2HG1      ILE   6  -7.094  -3.648   1.572
   37   HG21  ILE   6          1HG2      ILE   6  -3.403  -3.529   1.741
   38   HG22  ILE   6          2HG2      ILE   6  -3.646  -4.489   0.263
   39   HG23  ILE   6          3HG2      ILE   6  -3.151  -2.783   0.145
   40   HD11  ILE   6          3HD1      ILE   6  -6.185  -5.620   2.811
   41   HD12  ILE   6          1HD1      ILE   6  -5.911  -5.749   1.057
   42   HD13  ILE   6          2HD1      ILE   6  -4.574  -5.279   2.135
   43    H    ALA   7           H        ALA   7  -6.087  -1.235  -1.745
   44    HA   ALA   7           HA       ALA   7  -3.746  -0.789  -3.042
   45    HB1  ALA   7           1HB      ALA   7  -5.353   0.736  -4.519
   46    HB2  ALA   7           2HB      ALA   7  -5.581  -1.026  -4.432
   47    HB3  ALA   7           3HB      ALA   7  -6.601   0.052  -3.451
   48    H    GLY   8           H        GLY   8  -5.781   1.583  -1.237
   49    HA2  GLY   8           1HA      GLY   8  -4.281   3.869  -1.929
   50    HA3  GLY   8           2HA      GLY   8  -5.372   3.690  -0.569
   51    H    PHE   9           H        PHE   9  -3.873   1.295   0.515
   52    HA   PHE   9           HA       PHE   9  -1.996   2.802   2.052
   53    HB2  PHE   9           1HB      PHE   9  -3.557   0.894   2.815
   54    HB3  PHE   9           2HB      PHE   9  -2.587  -0.213   1.863
   55    HD1  PHE   9           1HD      PHE   9  -1.666   2.551   4.206
   56    HD2  PHE   9           2HD      PHE   9  -1.395  -1.582   3.280
   57    HE1  PHE   9           1HE      PHE   9  -0.131   2.213   6.163
   58    HE2  PHE   9           2HE      PHE   9   0.141  -1.920   5.236
   59    HZ   PHE   9           HZ       PHE   9   0.755  -0.018   6.654
   60    H    ILE  10           H        ILE  10  -1.907   0.731  -0.797
   61    HA   ILE  10           HA       ILE  10   0.686  -0.232  -0.606
   62    HB   ILE  10           HB       ILE  10  -0.950   0.506  -3.035
   63   HG12  ILE  10          1HG1      ILE  10  -0.784  -1.972  -1.325
   64   HG13  ILE  10          2HG1      ILE  10  -2.202  -1.059  -1.801
   65   HG21  ILE  10          1HG2      ILE  10   1.421   0.316  -3.596
   66   HG22  ILE  10          2HG2      ILE  10   1.490  -1.280  -2.810
   67   HG23  ILE  10          3HG2      ILE  10   0.489  -1.046  -4.263
   68   HD11  ILE  10          3HD1      ILE  10  -1.736  -1.705  -4.213
   69   HD12  ILE  10          1HD1      ILE  10  -0.438  -2.766  -3.611
   70   HD13  ILE  10          2HD1      ILE  10  -2.128  -3.078  -3.149
   71    H    GLU  11           H        GLU  11  -0.573   2.995  -1.288
   72    HA   GLU  11           HA       GLU  11   1.624   3.993  -2.635
   73    HB2  GLU  11           1HB      GLU  11  -0.383   5.374  -0.802
   74    HB3  GLU  11           2HB      GLU  11   0.768   6.236  -1.806
   75    HG2  GLU  11           1HG      GLU  11  -0.258   5.533  -3.825
   76    HG3  GLU  11           2HG      GLU  11  -1.031   4.154  -3.072
   77    H    ASN  12           H        ASN  12   1.205   3.031   0.687
   78    HA   ASN  12           HA       ASN  12   3.614   4.515   1.385
   79    HB2  ASN  12           1HB      ASN  12   1.190   3.614   2.943
   80    HB3  ASN  12           2HB      ASN  12   2.719   3.643   3.801
   81   HD21  ASN  12          1HD2      ASN  12   0.440   5.538   1.904
   82   HD22  ASN  12          2HD2      ASN  12   0.873   7.104   2.507
   83    H    ALA  13           H        ALA  13   1.899   1.366   1.296
   84    HA   ALA  13           HA       ALA  13   3.968  -0.065   2.651
   85    HB1  ALA  13           1HB      ALA  13   2.561  -1.918   2.380
   86    HB2  ALA  13           2HB      ALA  13   1.406  -0.563   2.416
   87    HB3  ALA  13           3HB      ALA  13   1.869  -1.297   0.862
   88    H    TRP  14           H        TRP  14   3.562   1.271  -0.499
   89    HA   TRP  14           HA       TRP  14   5.381  -0.705  -1.666
   90    HB2  TRP  14           1HB      TRP  14   3.215  -0.124  -2.804
   91    HB3  TRP  14           2HB      TRP  14   3.844   1.493  -3.055
   92    HD1  TRP  14           HD       TRP  14   6.401  -1.296  -3.480
   93    HE1  TRP  14           1HE      TRP  14   7.055  -1.657  -6.011
   94    HE3  TRP  14           3HE      TRP  14   2.749   1.681  -5.394
   95    HZ2  TRP  14           2HZ      TRP  14   5.996  -0.679  -8.474
   96    HZ3  TRP  14           3HZ      TRP  14   2.629   1.924  -7.872
   97    HH2  TRP  14           HH       TRP  14   4.176   0.803  -9.397
   98    H    GLU  15           H        GLU  15   4.880   2.857  -2.151
   99    HA   GLU  15           HA       GLU  15   7.323   3.545  -2.854
  100    HB2  GLU  15           1HB      GLU  15   6.794   5.759  -2.234
  101    HB3  GLU  15           2HB      GLU  15   5.221   5.007  -2.414
  102    HG2  GLU  15           1HG      GLU  15   5.151   4.590   0.062
  103    HG3  GLU  15           2HG      GLU  15   6.709   5.374   0.230
  104    H    GLY  16           H        GLY  16   6.281   2.715   0.468
  105    HA2  GLY  16           1HA      GLY  16   8.674   3.573   1.756
  106    HA3  GLY  16           2HA      GLY  16   7.423   2.529   2.406
  107    H    MET  17           H        MET  17   7.387   0.350   0.666
  108    HA   MET  17           HA       MET  17   9.638  -1.039   1.555
  109    HB2  MET  17           1HB      MET  17   7.227  -1.538  -0.171
  110    HB3  MET  17           2HB      MET  17   8.572  -2.628  -0.441
  111    HG2  MET  17           1HG      MET  17   8.534  -2.683   2.283
  112    HG3  MET  17           2HG      MET  17   6.845  -2.308   1.998
  113    HE1  MET  17           3HE      MET  17   9.509  -5.249   1.955
  114    HE2  MET  17           1HE      MET  17   9.116  -5.951   0.367
  115    HE3  MET  17           2HE      MET  17   9.712  -4.278   0.477
  116    H    ILE  18           H        ILE  18   9.305   1.188  -0.981
  117    HA   ILE  18           HA       ILE  18  11.258  -0.163  -2.675
  118    HB   ILE  18           HB       ILE  18   9.513   2.266  -3.055
  119   HG12  ILE  18          1HG1      ILE  18   9.567  -0.429  -4.447
  120   HG13  ILE  18          2HG1      ILE  18   8.407   0.064  -3.228
  121   HG21  ILE  18          1HG2      ILE  18  11.949   1.408  -4.508
  122   HG22  ILE  18          2HG2      ILE  18  10.545   1.849  -5.510
  123   HG23  ILE  18          3HG2      ILE  18  11.208   3.018  -4.342
  124   HD11  ILE  18          3HD1      ILE  18   7.157   1.138  -4.778
  125   HD12  ILE  18          1HD1      ILE  18   8.558   2.111  -5.287
  126   HD13  ILE  18          2HD1      ILE  18   8.262   0.521  -6.030
  127    H    ASP  19           H        ASP  19  10.804   2.623  -0.483
  128    HA   ASP  19           HA       ASP  19  13.289   3.773  -1.159
  129    HB2  ASP  19           1HB      ASP  19  11.103   4.744   0.050
  130    HB3  ASP  19           2HB      ASP  19  11.929   4.221   1.505
  131    H    GLY  20           H        GLY  20  11.964   2.013   1.752
  132    HA2  GLY  20           1HA      GLY  20  12.972   0.497   3.108
  133    HA3  GLY  20           2HA      GLY  20  14.431   0.589   2.141
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1 -13.973  -4.449   1.094
    2    HA2  GLY   1           1HA      GLY   1 -14.337  -2.160   0.327
    3    HA3  GLY   1           2HA      GLY   1 -14.944  -1.780   1.926
    4    H    LEU   2           H        LEU   2 -12.869  -3.609   3.229
    5    HA   LEU   2           HA       LEU   2 -10.853  -1.601   3.465
    6    HB2  LEU   2           1HB      LEU   2 -11.897  -3.307   5.196
    7    HB3  LEU   2           2HB      LEU   2 -10.590  -4.332   4.638
    8    HG   LEU   2           HG       LEU   2  -8.968  -2.530   5.241
    9   HD11  LEU   2          1HD1      LEU   2 -10.606  -1.073   7.086
   10   HD12  LEU   2          2HD1      LEU   2  -9.627  -0.470   5.727
   11   HD13  LEU   2          3HD1      LEU   2 -11.317  -0.960   5.457
   12   HD21  LEU   2          3HD2      LEU   2  -9.204  -4.331   6.766
   13   HD22  LEU   2          1HD2      LEU   2  -9.222  -2.837   7.733
   14   HD23  LEU   2          2HD2      LEU   2 -10.744  -3.695   7.393
   15    H    PHE   3           H        PHE   3 -11.002  -4.999   2.209
   16    HA   PHE   3           HA       PHE   3  -8.359  -5.197   1.464
   17    HB2  PHE   3           1HB      PHE   3 -10.672  -6.712   1.372
   18    HB3  PHE   3           2HB      PHE   3 -10.537  -6.293  -0.325
   19    HD1  PHE   3           2HD      PHE   3  -8.106  -6.680  -1.344
   20    HD2  PHE   3           1HD      PHE   3  -9.634  -8.639   2.096
   21    HE1  PHE   3           2HE      PHE   3  -6.456  -8.542  -1.671
   22    HE2  PHE   3           1HE      PHE   3  -7.983 -10.502   1.768
   23    HZ   PHE   3           HZ       PHE   3  -6.414 -10.431  -0.111
   24    H    GLY   4           H        GLY   4 -10.950  -3.279   0.073
   25    HA2  GLY   4           1HA      GLY   4  -9.631  -3.013  -2.507
   26    HA3  GLY   4           2HA      GLY   4 -11.147  -2.298  -1.999
   27    H    ALA   5           H        ALA   5  -9.708  -1.459   0.653
   28    HA   ALA   5           HA       ALA   5  -8.869   1.100  -0.375
   29    HB1  ALA   5           1HB      ALA   5  -8.971   1.795   1.911
   30    HB2  ALA   5           2HB      ALA   5 -10.346   0.690   1.669
   31    HB3  ALA   5           3HB      ALA   5  -8.879   0.118   2.500
   32    H    ILE   6           H        ILE   6  -7.453  -1.926   0.777
   33    HA   ILE   6           HA       ILE   6  -5.029  -1.169   1.711
   34    HB   ILE   6           HB       ILE   6  -5.649  -3.469  -0.146
   35   HG12  ILE   6          1HG1      ILE   6  -5.944  -3.101   2.835
   36   HG13  ILE   6          2HG1      ILE   6  -7.149  -3.620   1.672
   37   HG21  ILE   6          1HG2      ILE   6  -3.655  -4.460   0.420
   38   HG22  ILE   6          2HG2      ILE   6  -3.175  -2.747   0.348
   39   HG23  ILE   6          3HG2      ILE   6  -3.482  -3.520   1.922
   40   HD11  ILE   6          3HD1      ILE   6  -4.797  -5.174   2.779
   41   HD12  ILE   6          1HD1      ILE   6  -6.509  -5.649   2.683
   42   HD13  ILE   6          2HD1      ILE   6  -5.509  -5.627   1.212
   43    H    ALA   7           H        ALA   7  -6.090  -1.358  -1.732
   44    HA   ALA   7           HA       ALA   7  -3.724  -0.949  -2.998
   45    HB1  ALA   7           1HB      ALA   7  -5.037  -0.509  -4.824
   46    HB2  ALA   7           2HB      ALA   7  -6.319  -1.093  -3.737
   47    HB3  ALA   7           3HB      ALA   7  -6.058   0.655  -3.945
   48    H    GLY   8           H        GLY   8  -5.821   1.481  -1.349
   49    HA2  GLY   8           1HA      GLY   8  -4.331   3.751  -2.118
   50    HA3  GLY   8           2HA      GLY   8  -5.448   3.624  -0.775
   51    H    PHE   9           H        PHE   9  -3.950   1.299   0.454
   52    HA   PHE   9           HA       PHE   9  -2.122   2.898   1.957
   53    HB2  PHE   9           1HB      PHE   9  -3.737   0.655   2.343
   54    HB3  PHE   9           2HB      PHE   9  -2.172  -0.108   2.143
   55    HD1  PHE   9           1HD      PHE   9  -4.187   2.086   4.267
   56    HD2  PHE   9           2HD      PHE   9  -0.420   0.189   3.796
   57    HE1  PHE   9           1HE      PHE   9  -3.645   2.566   6.670
   58    HE2  PHE   9           2HE      PHE   9   0.121   0.669   6.200
   59    HZ   PHE   9           HZ       PHE   9  -1.497   1.852   7.608
   60    H    ILE  10           H        ILE  10  -1.949   0.696  -0.787
   61    HA   ILE  10           HA       ILE  10   0.647  -0.229  -0.494
   62    HB   ILE  10           HB       ILE  10  -0.940   0.377  -2.991
   63   HG12  ILE  10          1HG1      ILE  10  -0.789  -2.016  -1.161
   64   HG13  ILE  10          2HG1      ILE  10  -2.205  -1.142  -1.711
   65   HG21  ILE  10          1HG2      ILE  10   0.539  -1.236  -4.102
   66   HG22  ILE  10          2HG2      ILE  10   1.431   0.186  -3.509
   67   HG23  ILE  10          3HG2      ILE  10   1.520  -1.353  -2.621
   68   HD11  ILE  10          3HD1      ILE  10  -1.488  -1.878  -4.115
   69   HD12  ILE  10          1HD1      ILE  10  -0.448  -3.055  -3.278
   70   HD13  ILE  10          2HD1      ILE  10  -2.212  -3.101  -3.043
   71    H    GLU  11           H        GLU  11  -0.628   2.947  -1.356
   72    HA   GLU  11           HA       GLU  11   1.588   3.905  -2.703
   73    HB2  GLU  11           1HB      GLU  11  -0.706   5.135  -1.191
   74    HB3  GLU  11           2HB      GLU  11   0.637   6.175  -1.621
   75    HG2  GLU  11           1HG      GLU  11  -0.025   4.537  -3.918
   76    HG3  GLU  11           2HG      GLU  11  -1.502   5.255  -3.308
   77    H    ASN  12           H        ASN  12   1.106   3.098   0.652
   78    HA   ASN  12           HA       ASN  12   3.484   4.639   1.330
   79    HB2  ASN  12           1HB      ASN  12   1.015   3.833   2.851
   80    HB3  ASN  12           2HB      ASN  12   2.513   3.826   3.761
   81   HD21  ASN  12          1HD2      ASN  12   0.656   5.802   1.464
   82   HD22  ASN  12          2HD2      ASN  12   1.026   7.349   2.150
   83    H    ALA  13           H        ALA  13   1.803   1.471   1.355
   84    HA   ALA  13           HA       ALA  13   3.855   0.128   2.820
   85    HB1  ALA  13           1HB      ALA  13   1.206  -0.418   1.710
   86    HB2  ALA  13           2HB      ALA  13   2.335  -1.763   1.420
   87    HB3  ALA  13           3HB      ALA  13   2.045  -1.187   3.078
   88    H    TRP  14           H        TRP  14   3.504   1.308  -0.398
   89    HA   TRP  14           HA       TRP  14   5.369  -0.700  -1.430
   90    HB2  TRP  14           1HB      TRP  14   3.223  -0.197  -2.641
   91    HB3  TRP  14           2HB      TRP  14   3.841   1.412  -2.955
   92    HD1  TRP  14           HD       TRP  14   6.434  -1.365  -3.191
   93    HE1  TRP  14           1HE      TRP  14   7.147  -1.839  -5.688
   94    HE3  TRP  14           3HE      TRP  14   2.796   1.478  -5.324
   95    HZ2  TRP  14           2HZ      TRP  14   6.133  -0.990  -8.216
   96    HZ3  TRP  14           3HZ      TRP  14   2.728   1.602  -7.812
   97    HH2  TRP  14           HH       TRP  14   4.319   0.426  -9.248
   98    H    GLU  15           H        GLU  15   4.844   2.829  -2.095
   99    HA   GLU  15           HA       GLU  15   7.294   3.510  -2.777
  100    HB2  GLU  15           1HB      GLU  15   6.730   5.746  -2.275
  101    HB3  GLU  15           2HB      GLU  15   5.170   4.969  -2.453
  102    HG2  GLU  15           1HG      GLU  15   5.046   4.668   0.036
  103    HG3  GLU  15           2HG      GLU  15   6.594   5.473   0.204
  104    H    GLY  16           H        GLY  16   6.210   2.734   0.529
  105    HA2  GLY  16           1HA      GLY  16   8.484   3.740   1.895
  106    HA3  GLY  16           2HA      GLY  16   7.310   2.583   2.489
  107    H    MET  17           H        MET  17   7.511   0.409   0.794
  108    HA   MET  17           HA       MET  17   9.881  -0.751   1.713
  109    HB2  MET  17           1HB      MET  17   7.457  -1.499   0.184
  110    HB3  MET  17           2HB      MET  17   8.872  -2.356  -0.396
  111    HG2  MET  17           1HG      MET  17   8.713  -2.263   2.563
  112    HG3  MET  17           2HG      MET  17   7.341  -3.071   1.830
  113    HE1  MET  17           3HE      MET  17   8.506  -6.165   0.313
  114    HE2  MET  17           1HE      MET  17   7.784  -5.895   1.918
  115    HE3  MET  17           2HE      MET  17   7.264  -4.909   0.531
  116    H    ILE  18           H        ILE  18   9.344   1.395  -0.857
  117    HA   ILE  18           HA       ILE  18  11.331   0.195  -2.598
  118    HB   ILE  18           HB       ILE  18   9.622   2.671  -2.845
  119   HG12  ILE  18          1HG1      ILE  18   9.416   0.139  -4.473
  120   HG13  ILE  18          2HG1      ILE  18   8.580   0.306  -2.942
  121   HG21  ILE  18          1HG2      ILE  18  12.047   2.242  -4.095
  122   HG22  ILE  18          2HG2      ILE  18  10.862   1.651  -5.286
  123   HG23  ILE  18          3HG2      ILE  18  10.744   3.314  -4.661
  124   HD11  ILE  18          3HD1      ILE  18   8.188   2.710  -4.546
  125   HD12  ILE  18          1HD1      ILE  18   7.723   1.260  -5.469
  126   HD13  ILE  18          2HD1      ILE  18   6.971   1.588  -3.889
  127    H    ASP  19           H        ASP  19  10.929   2.771  -0.181
  128    HA   ASP  19           HA       ASP  19  13.205   4.204  -0.865
  129    HB2  ASP  19           1HB      ASP  19  11.358   3.977   1.462
  130    HB3  ASP  19           2HB      ASP  19  12.965   4.540   1.878
  131    H    GLY  20           H        GLY  20  12.684   2.161   2.114
  132    HA2  GLY  20           1HA      GLY  20  15.545   1.458   2.057
  133    HA3  GLY  20           2HA      GLY  20  14.497   1.451   3.461
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1 -14.830  -3.983   2.514
    2    HA2  GLY   1           1HA      GLY   1 -14.420  -1.960   0.412
    3    HA3  GLY   1           2HA      GLY   1 -14.982  -1.670   2.045
    4    H    LEU   2           H        LEU   2 -12.925  -3.625   3.181
    5    HA   LEU   2           HA       LEU   2 -10.857  -1.684   3.500
    6    HB2  LEU   2           1HB      LEU   2 -11.903  -3.476   5.140
    7    HB3  LEU   2           2HB      LEU   2 -10.634  -4.492   4.486
    8    HG   LEU   2           HG       LEU   2  -9.018  -2.585   5.116
    9   HD11  LEU   2          1HD1      LEU   2 -10.881  -0.929   5.486
   10   HD12  LEU   2          2HD1      LEU   2 -11.266  -1.808   6.985
   11   HD13  LEU   2          3HD1      LEU   2  -9.675  -1.033   6.791
   12   HD21  LEU   2          3HD2      LEU   2  -9.940  -4.845   6.475
   13   HD22  LEU   2          1HD2      LEU   2  -8.438  -3.938   6.780
   14   HD23  LEU   2          2HD2      LEU   2  -9.913  -3.552   7.698
   15    H    PHE   3           H        PHE   3 -11.112  -4.989   2.030
   16    HA   PHE   3           HA       PHE   3  -8.491  -5.195   1.212
   17    HB2  PHE   3           1HB      PHE   3 -10.841  -6.649   1.075
   18    HB3  PHE   3           2HB      PHE   3 -10.733  -6.125  -0.593
   19    HD1  PHE   3           2HD      PHE   3  -8.716  -7.794   2.057
   20    HD2  PHE   3           1HD      PHE   3  -9.451  -7.346  -2.098
   21    HE1  PHE   3           2HE      PHE   3  -7.116  -9.667   1.572
   22    HE2  PHE   3           1HE      PHE   3  -7.852  -9.219  -2.584
   23    HZ   PHE   3           HZ       PHE   3  -6.704 -10.357  -0.743
   24    H    GLY   4           H        GLY   4 -11.066  -3.134   0.010
   25    HA2  GLY   4           1HA      GLY   4  -9.795  -2.728  -2.577
   26    HA3  GLY   4           2HA      GLY   4 -11.286  -2.016  -1.991
   27    H    ALA   5           H        ALA   5  -9.766  -1.387   0.678
   28    HA   ALA   5           HA       ALA   5  -8.895   1.217  -0.201
   29    HB1  ALA   5           1HB      ALA   5  -8.562   1.437   2.363
   30    HB2  ALA   5           2HB      ALA   5 -10.222   1.236   1.752
   31    HB3  ALA   5           3HB      ALA   5  -9.361  -0.151   2.461
   32    H    ILE   6           H        ILE   6  -7.524  -1.906   0.721
   33    HA   ILE   6           HA       ILE   6  -5.067  -1.265   1.651
   34    HB   ILE   6           HB       ILE   6  -5.775  -3.423  -0.340
   35   HG12  ILE   6          1HG1      ILE   6  -6.003  -3.247   2.664
   36   HG13  ILE   6          2HG1      ILE   6  -7.242  -3.661   1.496
   37   HG21  ILE   6          1HG2      ILE   6  -3.313  -2.920  -0.044
   38   HG22  ILE   6          2HG2      ILE   6  -3.500  -3.432   1.650
   39   HG23  ILE   6          3HG2      ILE   6  -3.823  -4.582   0.333
   40   HD11  ILE   6          3HD1      ILE   6  -4.749  -5.334   2.066
   41   HD12  ILE   6          1HD1      ILE   6  -6.385  -5.678   2.677
   42   HD13  ILE   6          2HD1      ILE   6  -6.052  -5.761   0.931
   43    H    ALA   7           H        ALA   7  -6.199  -1.204  -1.774
   44    HA   ALA   7           HA       ALA   7  -3.849  -0.761  -3.059
   45    HB1  ALA   7           1HB      ALA   7  -6.392   0.782  -3.663
   46    HB2  ALA   7           2HB      ALA   7  -5.173   0.167  -4.805
   47    HB3  ALA   7           3HB      ALA   7  -6.250  -0.968  -3.956
   48    H    GLY   8           H        GLY   8  -5.859   1.601  -1.213
   49    HA2  GLY   8           1HA      GLY   8  -4.332   3.882  -1.860
   50    HA3  GLY   8           2HA      GLY   8  -5.427   3.691  -0.506
   51    H    PHE   9           H        PHE   9  -3.958   1.258   0.536
   52    HA   PHE   9           HA       PHE   9  -2.067   2.714   2.104
   53    HB2  PHE   9           1HB      PHE   9  -3.724   0.488   2.377
   54    HB3  PHE   9           2HB      PHE   9  -2.183  -0.296   2.091
   55    HD1  PHE   9           2HD      PHE   9  -0.201   1.016   3.526
   56    HD2  PHE   9           1HD      PHE   9  -4.289   0.630   4.595
   57    HE1  PHE   9           2HE      PHE   9   0.404   1.321   5.943
   58    HE2  PHE   9           1HE      PHE   9  -3.685   0.935   7.012
   59    HZ   PHE   9           HZ       PHE   9  -1.347   1.276   7.657
   60    H    ILE  10           H        ILE  10  -1.996   0.696  -0.784
   61    HA   ILE  10           HA       ILE  10   0.585  -0.302  -0.604
   62    HB   ILE  10           HB       ILE  10  -1.037   0.501  -3.023
   63   HG12  ILE  10          1HG1      ILE  10  -0.906  -2.009  -1.357
   64   HG13  ILE  10          2HG1      ILE  10  -2.311  -1.071  -1.819
   65   HG21  ILE  10          1HG2      ILE  10   1.319   0.295  -3.600
   66   HG22  ILE  10          2HG2      ILE  10   1.391  -1.302  -2.818
   67   HG23  ILE  10          3HG2      ILE  10   0.385  -1.066  -4.267
   68   HD11  ILE  10          3HD1      ILE  10  -0.610  -2.881  -3.570
   69   HD12  ILE  10          1HD1      ILE  10  -2.360  -2.968  -3.259
   70   HD13  ILE  10          2HD1      ILE  10  -1.702  -1.664  -4.275
   71    H    GLU  11           H        GLU  11  -0.634   2.951  -1.230
   72    HA   GLU  11           HA       GLU  11   1.576   3.948  -2.555
   73    HB2  GLU  11           1HB      GLU  11   0.628   6.078  -2.185
   74    HB3  GLU  11           2HB      GLU  11  -0.759   5.007  -2.151
   75    HG2  GLU  11           1HG      GLU  11  -0.538   4.912   0.386
   76    HG3  GLU  11           2HG      GLU  11   0.723   6.123   0.274
   77    H    ASN  12           H        ASN  12   1.140   2.930   0.748
   78    HA   ASN  12           HA       ASN  12   3.566   4.372   1.477
   79    HB2  ASN  12           1HB      ASN  12   1.183   3.366   3.074
   80    HB3  ASN  12           2HB      ASN  12   2.721   3.582   3.884
   81   HD21  ASN  12          1HD2      ASN  12   0.211   4.987   4.250
   82   HD22  ASN  12          2HD2      ASN  12   0.506   6.673   3.981
   83    H    ALA  13           H        ALA  13   1.813   1.246   1.328
   84    HA   ALA  13           HA       ALA  13   3.861  -0.235   2.659
   85    HB1  ALA  13           1HB      ALA  13   1.165  -0.606   1.800
   86    HB2  ALA  13           2HB      ALA  13   2.151  -1.867   1.018
   87    HB3  ALA  13           3HB      ALA  13   2.164  -1.697   2.791
   88    H    TRP  14           H        TRP  14   3.478   1.164  -0.465
   89    HA   TRP  14           HA       TRP  14   5.275  -0.812  -1.666
   90    HB2  TRP  14           1HB      TRP  14   3.119  -0.184  -2.796
   91    HB3  TRP  14           2HB      TRP  14   3.766   1.429  -3.017
   92    HD1  TRP  14           HD       TRP  14   6.290  -1.382  -3.489
   93    HE1  TRP  14           1HE      TRP  14   6.945  -1.704  -6.025
   94    HE3  TRP  14           3HE      TRP  14   2.679   1.674  -5.354
   95    HZ2  TRP  14           2HZ      TRP  14   5.902  -0.668  -8.471
   96    HZ3  TRP  14           3HZ      TRP  14   2.567   1.964  -7.827
   97    HH2  TRP  14           HH       TRP  14   4.103   0.852  -9.370
   98    H    GLU  15           H        GLU  15   4.818   2.764  -2.086
   99    HA   GLU  15           HA       GLU  15   7.270   3.437  -2.772
  100    HB2  GLU  15           1HB      GLU  15   6.766   5.645  -2.112
  101    HB3  GLU  15           2HB      GLU  15   5.186   4.915  -2.310
  102    HG2  GLU  15           1HG      GLU  15   5.102   4.453   0.156
  103    HG3  GLU  15           2HG      GLU  15   6.669   5.214   0.345
  104    H    GLY  16           H        GLY  16   6.227   2.480   0.502
  105    HA2  GLY  16           1HA      GLY  16   8.573   3.331   1.863
  106    HA3  GLY  16           2HA      GLY  16   7.360   2.203   2.432
  107    H    MET  17           H        MET  17   7.425   0.118   0.601
  108    HA   MET  17           HA       MET  17   9.757  -1.199   1.412
  109    HB2  MET  17           1HB      MET  17   7.226  -1.790   0.116
  110    HB3  MET  17           2HB      MET  17   8.497  -2.514  -0.849
  111    HG2  MET  17           1HG      MET  17   8.253  -2.892   2.174
  112    HG3  MET  17           2HG      MET  17   7.586  -4.012   1.002
  113    HE1  MET  17           3HE      MET  17   8.435  -5.836   1.432
  114    HE2  MET  17           1HE      MET  17   9.874  -6.404   0.554
  115    HE3  MET  17           2HE      MET  17   9.972  -6.071   2.299
  116    H    ILE  18           H        ILE  18   9.259   1.097  -1.035
  117    HA   ILE  18           HA       ILE  18  11.166  -0.102  -2.871
  118    HB   ILE  18           HB       ILE  18   9.407   2.339  -2.963
  119   HG12  ILE  18          1HG1      ILE  18   9.488  -0.207  -4.609
  120   HG13  ILE  18          2HG1      ILE  18   8.316   0.179  -3.366
  121   HG21  ILE  18          1HG2      ILE  18  10.366   2.294  -5.448
  122   HG22  ILE  18          2HG2      ILE  18  11.126   3.243  -4.147
  123   HG23  ILE  18          3HG2      ILE  18  11.799   1.659  -4.604
  124   HD11  ILE  18          3HD1      ILE  18   7.078   1.042  -5.076
  125   HD12  ILE  18          1HD1      ILE  18   8.179   2.437  -4.970
  126   HD13  ILE  18          2HD1      ILE  18   8.487   1.147  -6.158
  127    H    ASP  19           H        ASP  19  10.900   2.342  -0.317
  128    HA   ASP  19           HA       ASP  19  13.512   3.355  -1.014
  129    HB2  ASP  19           1HB      ASP  19  11.197   4.254   0.609
  130    HB3  ASP  19           2HB      ASP  19  12.738   4.570   1.380
  131    H    GLY  20           H        GLY  20  14.840   3.850   1.265
  132    HA2  GLY  20           1HA      GLY  20  14.667   1.470   2.993
  133    HA3  GLY  20           2HA      GLY  20  16.178   1.870   2.201
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1 -14.908  -3.701   1.933
    2    HA2  GLY   1           1HA      GLY   1 -14.367  -1.467   0.089
    3    HA3  GLY   1           2HA      GLY   1 -14.953  -1.343   1.737
    4    H    LEU   2           H        LEU   2 -13.014  -3.514   2.669
    5    HA   LEU   2           HA       LEU   2 -10.864  -1.725   3.246
    6    HB2  LEU   2           1HB      LEU   2 -12.033  -3.638   4.652
    7    HB3  LEU   2           2HB      LEU   2 -10.797  -4.634   3.910
    8    HG   LEU   2           HG       LEU   2  -9.098  -2.925   4.786
    9   HD11  LEU   2          1HD1      LEU   2  -9.842  -1.666   6.806
   10   HD12  LEU   2          2HD1      LEU   2 -10.549  -1.079   5.281
   11   HD13  LEU   2          3HD1      LEU   2 -11.524  -2.075   6.389
   12   HD21  LEU   2          3HD2      LEU   2  -8.859  -4.846   5.942
   13   HD22  LEU   2          1HD2      LEU   2  -9.593  -3.896   7.256
   14   HD23  LEU   2          2HD2      LEU   2 -10.600  -4.994   6.282
   15    H    PHE   3           H        PHE   3 -11.246  -4.823   1.402
   16    HA   PHE   3           HA       PHE   3  -8.619  -5.068   0.612
   17    HB2  PHE   3           1HB      PHE   3 -11.034  -6.377   0.269
   18    HB3  PHE   3           2HB      PHE   3 -10.860  -5.673  -1.327
   19    HD1  PHE   3           2HD      PHE   3  -8.514  -6.069  -2.467
   20    HD2  PHE   3           1HD      PHE   3 -10.079  -8.443   0.683
   21    HE1  PHE   3           2HE      PHE   3  -6.995  -7.954  -3.133
   22    HE2  PHE   3           1HE      PHE   3  -8.562 -10.327   0.017
   23    HZ   PHE   3           HZ       PHE   3  -7.038 -10.060  -1.883
   24    H    GLY   4           H        GLY   4 -11.061  -2.755  -0.389
   25    HA2  GLY   4           1HA      GLY   4  -9.716  -2.123  -2.892
   26    HA3  GLY   4           2HA      GLY   4 -11.182  -1.408  -2.252
   27    H    ALA   5           H        ALA   5  -9.696  -1.162   0.497
   28    HA   ALA   5           HA       ALA   5  -8.678   1.475  -0.064
   29    HB1  ALA   5           1HB      ALA   5  -8.337   1.261   2.555
   30    HB2  ALA   5           2HB      ALA   5  -9.968   1.459   1.868
   31    HB3  ALA   5           3HB      ALA   5  -9.400  -0.154   2.361
   32    H    ILE   6           H        ILE   6  -7.483  -1.799   0.516
   33    HA   ILE   6           HA       ILE   6  -5.017  -1.393   1.552
   34    HB   ILE   6           HB       ILE   6  -5.786  -3.273  -0.683
   35   HG12  ILE   6          1HG1      ILE   6  -6.070  -3.427   2.318
   36   HG13  ILE   6          2HG1      ILE   6  -7.302  -3.642   1.090
   37   HG21  ILE   6          1HG2      ILE   6  -3.711  -4.046   1.275
   38   HG22  ILE   6          2HG2      ILE   6  -3.817  -4.342  -0.478
   39   HG23  ILE   6          3HG2      ILE   6  -3.249  -2.767   0.126
   40   HD11  ILE   6          3HD1      ILE   6  -5.688  -5.622   0.282
   41   HD12  ILE   6          1HD1      ILE   6  -5.143  -5.545   1.975
   42   HD13  ILE   6          2HD1      ILE   6  -6.855  -5.868   1.604
   43    H    ALA   7           H        ALA   7  -6.070  -0.885  -1.861
   44    HA   ALA   7           HA       ALA   7  -3.674  -0.421  -3.049
   45    HB1  ALA   7           1HB      ALA   7  -4.935   0.957  -4.630
   46    HB2  ALA   7           2HB      ALA   7  -5.916  -0.445  -4.139
   47    HB3  ALA   7           3HB      ALA   7  -6.248   1.159  -3.444
   48    H    GLY   8           H        GLY   8  -5.605   1.814  -0.975
   49    HA2  GLY   8           1HA      GLY   8  -3.955   4.074  -1.334
   50    HA3  GLY   8           2HA      GLY   8  -5.086   3.786  -0.027
   51    H    PHE   9           H        PHE   9  -3.760   1.179   0.752
   52    HA   PHE   9           HA       PHE   9  -1.834   2.350   2.506
   53    HB2  PHE   9           1HB      PHE   9  -3.595   0.161   2.447
   54    HB3  PHE   9           2HB      PHE   9  -2.051  -0.625   2.184
   55    HD1  PHE   9           1HD      PHE   9  -3.226   2.166   4.384
   56    HD2  PHE   9           2HD      PHE   9  -1.220  -1.564   4.107
   57    HE1  PHE   9           1HE      PHE   9  -2.775   2.225   6.852
   58    HE2  PHE   9           2HE      PHE   9  -0.770  -1.505   6.576
   59    HZ   PHE   9           HZ       PHE   9  -1.553   0.388   7.918
   60    H    ILE  10           H        ILE  10  -1.802   0.671  -0.592
   61    HA   ILE  10           HA       ILE  10   0.723  -0.471  -0.489
   62    HB   ILE  10           HB       ILE  10  -0.805   0.683  -2.825
   63   HG12  ILE  10          1HG1      ILE  10  -0.832  -2.005  -1.456
   64   HG13  ILE  10          2HG1      ILE  10  -2.180  -0.949  -1.829
   65   HG21  ILE  10          1HG2      ILE  10   1.561   0.417  -3.367
   66   HG22  ILE  10          2HG2      ILE  10   1.513  -1.269  -2.801
   67   HG23  ILE  10          3HG2      ILE  10   0.565  -0.781  -4.225
   68   HD11  ILE  10          3HD1      ILE  10  -0.502  -2.567  -3.789
   69   HD12  ILE  10          1HD1      ILE  10  -2.243  -2.725  -3.451
   70   HD13  ILE  10          2HD1      ILE  10  -1.629  -1.294  -4.311
   71    H    GLU  11           H        GLU  11  -0.321   2.890  -0.757
   72    HA   GLU  11           HA       GLU  11   1.963   3.916  -1.925
   73    HB2  GLU  11           1HB      GLU  11  -0.114   5.095  -0.047
   74    HB3  GLU  11           2HB      GLU  11   1.215   6.063  -0.655
   75    HG2  GLU  11           1HG      GLU  11  -0.380   4.460  -2.652
   76    HG3  GLU  11           2HG      GLU  11  -1.131   5.887  -1.968
   77    H    ASN  12           H        ASN  12   1.408   2.555   1.233
   78    HA   ASN  12           HA       ASN  12   3.884   3.778   2.160
   79    HB2  ASN  12           1HB      ASN  12   1.748   2.362   3.835
   80    HB3  ASN  12           2HB      ASN  12   3.107   3.283   4.449
   81   HD21  ASN  12          1HD2      ASN  12   1.583   4.539   5.606
   82   HD22  ASN  12          2HD2      ASN  12   0.707   5.829   4.853
   83    H    ALA  13           H        ALA  13   1.984   0.783   1.626
   84    HA   ALA  13           HA       ALA  13   3.930  -0.941   2.812
   85    HB1  ALA  13           1HB      ALA  13   1.370  -1.271   2.519
   86    HB2  ALA  13           2HB      ALA  13   1.769  -1.747   0.850
   87    HB3  ALA  13           3HB      ALA  13   2.434  -2.667   2.221
   88    H    TRP  14           H        TRP  14   3.681   0.820  -0.138
   89    HA   TRP  14           HA       TRP  14   5.405  -1.095  -1.529
   90    HB2  TRP  14           1HB      TRP  14   3.306  -0.235  -2.613
   91    HB3  TRP  14           2HB      TRP  14   4.037   1.358  -2.637
   92    HD1  TRP  14           HD       TRP  14   6.429  -1.507  -3.389
   93    HE1  TRP  14           1HE      TRP  14   7.121  -1.572  -5.935
   94    HE3  TRP  14           3HE      TRP  14   3.012   1.922  -4.948
   95    HZ2  TRP  14           2HZ      TRP  14   6.182  -0.213  -8.262
   96    HZ3  TRP  14           3HZ      TRP  14   2.966   2.496  -7.373
   97    HH2  TRP  14           HH       TRP  14   4.479   1.490  -9.009
   98    H    GLU  15           H        GLU  15   5.133   2.524  -1.545
   99    HA   GLU  15           HA       GLU  15   7.628   3.142  -2.111
  100    HB2  GLU  15           1HB      GLU  15   5.587   4.649  -1.487
  101    HB3  GLU  15           2HB      GLU  15   6.230   4.617   0.144
  102    HG2  GLU  15           1HG      GLU  15   7.767   5.531  -2.334
  103    HG3  GLU  15           2HG      GLU  15   7.046   6.596  -1.144
  104    H    GLY  16           H        GLY  16   6.454   1.980   1.068
  105    HA2  GLY  16           1HA      GLY  16   8.880   2.490   2.476
  106    HA3  GLY  16           2HA      GLY  16   7.539   1.484   2.985
  107    H    MET  17           H        MET  17   7.363  -0.467   1.000
  108    HA   MET  17           HA       MET  17   9.490  -2.123   1.739
  109    HB2  MET  17           1HB      MET  17   7.174  -2.264  -0.233
  110    HB3  MET  17           2HB      MET  17   8.380  -3.537  -0.246
  111    HG2  MET  17           1HG      MET  17   7.002  -2.688   2.335
  112    HG3  MET  17           2HG      MET  17   6.282  -3.875   1.266
  113    HE1  MET  17           3HE      MET  17   9.212  -6.264   0.727
  114    HE2  MET  17           1HE      MET  17   7.598  -6.759   1.294
  115    HE3  MET  17           2HE      MET  17   7.757  -5.470   0.077
  116    H    ILE  18           H        ILE  18   9.350   0.391  -0.535
  117    HA   ILE  18           HA       ILE  18  11.246  -0.913  -2.337
  118    HB   ILE  18           HB       ILE  18   9.774   1.713  -2.588
  119   HG12  ILE  18          1HG1      ILE  18   8.476  -0.559  -2.628
  120   HG13  ILE  18          2HG1      ILE  18   8.140   0.676  -3.825
  121   HG21  ILE  18          1HG2      ILE  18  10.501   1.140  -5.092
  122   HG22  ILE  18          2HG2      ILE  18  11.525   2.087  -3.986
  123   HG23  ILE  18          3HG2      ILE  18  11.849   0.355  -4.235
  124   HD11  ILE  18          3HD1      ILE  18   9.087  -0.530  -5.553
  125   HD12  ILE  18          1HD1      ILE  18  10.327  -1.258  -4.505
  126   HD13  ILE  18          2HD1      ILE  18   8.665  -1.895  -4.493
  127    H    ASP  19           H        ASP  19  10.888   1.601   0.150
  128    HA   ASP  19           HA       ASP  19  12.407   2.608   1.348
  129    HB2  ASP  19           1HB      ASP  19  13.825   0.459   0.777
  130    HB3  ASP  19           2HB      ASP  19  14.672   1.501  -0.349
  131    H    GLY  20           H        GLY  20  12.059   4.769   0.708
  132    HA2  GLY  20           1HA      GLY  20  13.818   5.812  -1.397
  133    HA3  GLY  20           2HA      GLY  20  12.089   6.054  -1.561
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1 -14.705  -3.939   2.684
    2    HA2  GLY   1           1HA      GLY   1 -14.281  -1.899   0.609
    3    HA3  GLY   1           2HA      GLY   1 -14.807  -1.631   2.260
    4    H    LEU   2           H        LEU   2 -12.737  -3.615   3.319
    5    HA   LEU   2           HA       LEU   2 -10.651  -1.692   3.624
    6    HB2  LEU   2           1HB      LEU   2 -11.671  -3.503   5.258
    7    HB3  LEU   2           2HB      LEU   2 -10.423  -4.516   4.560
    8    HG   LEU   2           HG       LEU   2  -8.784  -2.626   5.185
    9   HD11  LEU   2          1HD1      LEU   2  -9.825  -0.751   5.854
   10   HD12  LEU   2          2HD1      LEU   2 -11.299  -1.615   6.353
   11   HD13  LEU   2          3HD1      LEU   2  -9.884  -1.573   7.432
   12   HD21  LEU   2          3HD2      LEU   2  -8.970  -4.858   6.286
   13   HD22  LEU   2          1HD2      LEU   2  -8.417  -3.555   7.364
   14   HD23  LEU   2          2HD2      LEU   2 -10.097  -4.135   7.459
   15    H    PHE   3           H        PHE   3 -10.957  -4.970   2.109
   16    HA   PHE   3           HA       PHE   3  -8.357  -5.178   1.230
   17    HB2  PHE   3           1HB      PHE   3 -10.717  -6.618   1.122
   18    HB3  PHE   3           2HB      PHE   3 -10.642  -6.067  -0.540
   19    HD1  PHE   3           2HD      PHE   3  -8.454  -7.681   2.021
   20    HD2  PHE   3           1HD      PHE   3  -9.524  -7.379  -2.074
   21    HE1  PHE   3           2HE      PHE   3  -6.876  -9.555   1.470
   22    HE2  PHE   3           1HE      PHE   3  -7.947  -9.252  -2.624
   23    HZ   PHE   3           HZ       PHE   3  -6.642 -10.318  -0.846
   24    H    GLY   4           H        GLY   4 -10.945  -3.085   0.116
   25    HA2  GLY   4           1HA      GLY   4  -9.726  -2.644  -2.491
   26    HA3  GLY   4           2HA      GLY   4 -11.200  -1.934  -1.861
   27    H    ALA   5           H        ALA   5  -9.619  -1.356   0.784
   28    HA   ALA   5           HA       ALA   5  -8.753   1.257  -0.072
   29    HB1  ALA   5           1HB      ALA   5  -8.224   0.894   2.671
   30    HB2  ALA   5           2HB      ALA   5  -9.644   1.687   1.948
   31    HB3  ALA   5           3HB      ALA   5  -9.701  -0.045   2.353
   32    H    ILE   6           H        ILE   6  -7.381  -1.888   0.771
   33    HA   ILE   6           HA       ILE   6  -4.900  -1.275   1.657
   34    HB   ILE   6           HB       ILE   6  -5.663  -3.398  -0.351
   35   HG12  ILE   6          1HG1      ILE   6  -5.826  -3.268   2.660
   36   HG13  ILE   6          2HG1      ILE   6  -7.091  -3.657   1.512
   37   HG21  ILE   6          1HG2      ILE   6  -3.192  -2.913  -0.100
   38   HG22  ILE   6          2HG2      ILE   6  -3.346  -3.450   1.590
   39   HG23  ILE   6          3HG2      ILE   6  -3.705  -4.579   0.261
   40   HD11  ILE   6          3HD1      ILE   6  -4.651  -5.350   2.200
   41   HD12  ILE   6          1HD1      ILE   6  -6.361  -5.740   2.499
   42   HD13  ILE   6          2HD1      ILE   6  -5.734  -5.711   0.834
   43    H    ALA   7           H        ALA   7  -6.106  -1.152  -1.740
   44    HA   ALA   7           HA       ALA   7  -3.781  -0.702  -3.068
   45    HB1  ALA   7           1HB      ALA   7  -5.305   0.790  -4.553
   46    HB2  ALA   7           2HB      ALA   7  -5.764  -0.915  -4.326
   47    HB3  ALA   7           3HB      ALA   7  -6.596   0.361  -3.404
   48    H    GLY   8           H        GLY   8  -5.739   1.640  -1.144
   49    HA2  GLY   8           1HA      GLY   8  -4.215   3.925  -1.789
   50    HA3  GLY   8           2HA      GLY   8  -5.281   3.717  -0.413
   51    H    PHE   9           H        PHE   9  -3.801   1.261   0.556
   52    HA   PHE   9           HA       PHE   9  -1.869   2.684   2.106
   53    HB2  PHE   9           1HB      PHE   9  -3.538   0.523   2.457
   54    HB3  PHE   9           2HB      PHE   9  -2.082  -0.337   1.994
   55    HD1  PHE   9           2HD      PHE   9  -3.021   2.466   4.288
   56    HD2  PHE   9           1HD      PHE   9  -0.755  -1.076   3.716
   57    HE1  PHE   9           2HE      PHE   9  -2.176   2.627   6.646
   58    HE2  PHE   9           1HE      PHE   9   0.090  -0.915   6.075
   59    HZ   PHE   9           HZ       PHE   9  -0.630   0.934   7.510
   60    H    ILE  10           H        ILE  10  -1.872   0.711  -0.813
   61    HA   ILE  10           HA       ILE  10   0.707  -0.301  -0.707
   62    HB   ILE  10           HB       ILE  10  -0.963   0.546  -3.076
   63   HG12  ILE  10          1HG1      ILE  10  -0.806  -1.991  -1.453
   64   HG13  ILE  10          2HG1      ILE  10  -2.217  -1.040  -1.869
   65   HG21  ILE  10          1HG2      ILE  10   1.391   0.335  -3.692
   66   HG22  ILE  10          2HG2      ILE  10   1.449  -1.287  -2.961
   67   HG23  ILE  10          3HG2      ILE  10   0.424  -0.987  -4.385
   68   HD11  ILE  10          3HD1      ILE  10  -2.278  -2.945  -3.320
   69   HD12  ILE  10          1HD1      ILE  10  -1.709  -1.600  -4.337
   70   HD13  ILE  10          2HD1      ILE  10  -0.548  -2.795  -3.711
   71    H    GLU  11           H        GLU  11  -0.509   2.966  -1.255
   72    HA   GLU  11           HA       GLU  11   1.677   3.973  -2.614
   73    HB2  GLU  11           1HB      GLU  11   0.756   6.109  -2.171
   74    HB3  GLU  11           2HB      GLU  11  -0.635   5.043  -2.162
   75    HG2  GLU  11           1HG      GLU  11  -1.120   5.858  -0.099
   76    HG3  GLU  11           2HG      GLU  11   0.253   4.948   0.498
   77    H    ASN  12           H        ASN  12   1.309   2.907   0.683
   78    HA   ASN  12           HA       ASN  12   3.755   4.327   1.380
   79    HB2  ASN  12           1HB      ASN  12   1.292   3.580   2.890
   80    HB3  ASN  12           2HB      ASN  12   2.777   3.243   3.757
   81   HD21  ASN  12          1HD2      ASN  12   4.490   5.123   3.246
   82   HD22  ASN  12          2HD2      ASN  12   3.923   6.714   3.632
   83    H    ALA  13           H        ALA  13   1.985   1.212   1.223
   84    HA   ALA  13           HA       ALA  13   4.056  -0.298   2.485
   85    HB1  ALA  13           1HB      ALA  13   1.852  -1.375   0.707
   86    HB2  ALA  13           2HB      ALA  13   2.629  -2.145   2.111
   87    HB3  ALA  13           3HB      ALA  13   1.514  -0.778   2.349
   88    H    TRP  14           H        TRP  14   3.610   1.150  -0.608
   89    HA   TRP  14           HA       TRP  14   5.372  -0.815  -1.879
   90    HB2  TRP  14           1HB      TRP  14   3.193  -0.160  -2.951
   91    HB3  TRP  14           2HB      TRP  14   3.844   1.453  -3.162
   92    HD1  TRP  14           HD       TRP  14   6.344  -1.361  -3.732
   93    HE1  TRP  14           1HE      TRP  14   6.941  -1.648  -6.287
   94    HE3  TRP  14           3HE      TRP  14   2.707   1.739  -5.470
   95    HZ2  TRP  14           2HZ      TRP  14   5.850  -0.569  -8.693
   96    HZ3  TRP  14           3HZ      TRP  14   2.542   2.068  -7.936
   97    HH2  TRP  14           HH       TRP  14   4.038   0.972  -9.528
   98    H    GLU  15           H        GLU  15   4.922   2.769  -2.235
   99    HA   GLU  15           HA       GLU  15   7.362   3.440  -2.964
  100    HB2  GLU  15           1HB      GLU  15   5.245   4.888  -2.345
  101    HB3  GLU  15           2HB      GLU  15   6.041   5.095  -0.798
  102    HG2  GLU  15           1HG      GLU  15   7.855   6.278  -1.724
  103    HG3  GLU  15           2HG      GLU  15   7.649   5.564  -3.312
  104    H    GLY  16           H        GLY  16   6.363   2.576   0.372
  105    HA2  GLY  16           1HA      GLY  16   8.778   3.340   1.645
  106    HA3  GLY  16           2HA      GLY  16   7.543   2.261   2.265
  107    H    MET  17           H        MET  17   7.495   0.172   0.406
  108    HA   MET  17           HA       MET  17   9.757  -1.254   1.209
  109    HB2  MET  17           1HB      MET  17   7.413  -1.687  -0.670
  110    HB3  MET  17           2HB      MET  17   8.739  -2.831  -0.739
  111    HG2  MET  17           1HG      MET  17   8.481  -2.957   1.878
  112    HG3  MET  17           2HG      MET  17   6.919  -2.209   1.614
  113    HE1  MET  17           3HE      MET  17   4.953  -5.214   1.581
  114    HE2  MET  17           1HE      MET  17   5.375  -3.612   2.229
  115    HE3  MET  17           2HE      MET  17   4.716  -3.760   0.582
  116    H    ILE  18           H        ILE  18   9.403   1.102  -1.204
  117    HA   ILE  18           HA       ILE  18  11.330  -0.152  -2.994
  118    HB   ILE  18           HB       ILE  18   9.731   2.401  -3.216
  119   HG12  ILE  18          1HG1      ILE  18   8.601   0.044  -3.323
  120   HG13  ILE  18          2HG1      ILE  18   8.191   1.278  -4.498
  121   HG21  ILE  18          1HG2      ILE  18  11.547   2.889  -4.535
  122   HG22  ILE  18          2HG2      ILE  18  11.851   1.185  -4.948
  123   HG23  ILE  18          3HG2      ILE  18  10.494   2.055  -5.702
  124   HD11  ILE  18          3HD1      ILE  18   8.969  -1.262  -5.164
  125   HD12  ILE  18          1HD1      ILE  18   9.168   0.144  -6.237
  126   HD13  ILE  18          2HD1      ILE  18  10.531  -0.413  -5.237
  127    H    ASP  19           H        ASP  19  11.003   2.302  -0.466
  128    HA   ASP  19           HA       ASP  19  13.829   2.483  -0.351
  129    HB2  ASP  19           1HB      ASP  19  12.156   4.909  -1.141
  130    HB3  ASP  19           2HB      ASP  19  13.769   5.053  -0.473
  131    H    GLY  20           H        GLY  20  13.681   1.899   1.866
  132    HA2  GLY  20           1HA      GLY  20  13.320   3.701   3.846
  133    HA3  GLY  20           2HA      GLY  20  11.694   3.101   3.584
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1 -14.010  -3.905   0.611
    2    HA2  GLY   1           1HA      GLY   1 -14.331  -1.461   0.019
    3    HA3  GLY   1           2HA      GLY   1 -14.929  -1.301   1.659
    4    H    LEU   2           H        LEU   2 -13.006  -3.461   2.650
    5    HA   LEU   2           HA       LEU   2 -10.856  -1.669   3.213
    6    HB2  LEU   2           1HB      LEU   2 -12.039  -3.557   4.640
    7    HB3  LEU   2           2HB      LEU   2 -10.801  -4.568   3.921
    8    HG   LEU   2           HG       LEU   2  -9.376  -2.354   4.826
    9   HD11  LEU   2          1HD1      LEU   2 -10.036  -2.005   7.133
   10   HD12  LEU   2          2HD1      LEU   2 -11.372  -1.572   6.041
   11   HD13  LEU   2          3HD1      LEU   2 -11.417  -3.110   6.935
   12   HD21  LEU   2          3HD2      LEU   2  -8.563  -3.931   6.584
   13   HD22  LEU   2          1HD2      LEU   2  -9.832  -5.073   6.080
   14   HD23  LEU   2          2HD2      LEU   2  -8.553  -4.602   4.935
   15    H    PHE   3           H        PHE   3 -11.226  -4.797   1.417
   16    HA   PHE   3           HA       PHE   3  -8.594  -5.057   0.651
   17    HB2  PHE   3           1HB      PHE   3 -11.006  -6.369   0.309
   18    HB3  PHE   3           2HB      PHE   3 -10.821  -5.689  -1.295
   19    HD1  PHE   3           1HD      PHE   3  -9.017  -6.428  -2.761
   20    HD2  PHE   3           2HD      PHE   3  -9.507  -8.103   1.107
   21    HE1  PHE   3           1HE      PHE   3  -7.497  -8.324  -3.389
   22    HE2  PHE   3           2HE      PHE   3  -7.986  -9.999   0.479
   23    HZ   PHE   3           HZ       PHE   3  -6.999 -10.086  -1.762
   24    H    GLY   4           H        GLY   4 -11.028  -2.759  -0.409
   25    HA2  GLY   4           1HA      GLY   4  -9.658  -2.166  -2.907
   26    HA3  GLY   4           2HA      GLY   4 -11.131  -1.443  -2.295
   27    H    ALA   5           H        ALA   5  -9.663  -1.158   0.464
   28    HA   ALA   5           HA       ALA   5  -8.644   1.474  -0.128
   29    HB1  ALA   5           1HB      ALA   5  -8.667   1.752   2.276
   30    HB2  ALA   5           2HB      ALA   5 -10.172   0.925   1.802
   31    HB3  ALA   5           3HB      ALA   5  -8.837  -0.003   2.525
   32    H    ILE   6           H        ILE   6  -7.455  -1.789   0.515
   33    HA   ILE   6           HA       ILE   6  -5.001  -1.367   1.572
   34    HB   ILE   6           HB       ILE   6  -5.746  -3.282  -0.643
   35   HG12  ILE   6          1HG1      ILE   6  -6.062  -3.390   2.357
   36   HG13  ILE   6          2HG1      ILE   6  -7.281  -3.625   1.120
   37   HG21  ILE   6          1HG2      ILE   6  -3.249  -2.860  -0.104
   38   HG22  ILE   6          2HG2      ILE   6  -3.590  -3.740   1.405
   39   HG23  ILE   6          3HG2      ILE   6  -3.850  -4.534  -0.167
   40   HD11  ILE   6          3HD1      ILE   6  -6.748  -5.824   1.880
   41   HD12  ILE   6          1HD1      ILE   6  -5.880  -5.659   0.336
   42   HD13  ILE   6          2HD1      ILE   6  -4.999  -5.489   1.873
   43    H    ALA   7           H        ALA   7  -6.019  -0.910  -1.858
   44    HA   ALA   7           HA       ALA   7  -3.611  -0.464  -3.030
   45    HB1  ALA   7           1HB      ALA   7  -5.090   1.340  -4.338
   46    HB2  ALA   7           2HB      ALA   7  -5.384  -0.408  -4.504
   47    HB3  ALA   7           3HB      ALA   7  -6.401   0.567  -3.415
   48    H    GLY   8           H        GLY   8  -5.560   1.802  -1.009
   49    HA2  GLY   8           1HA      GLY   8  -3.904   4.055  -1.384
   50    HA3  GLY   8           2HA      GLY   8  -5.049   3.788  -0.084
   51    H    PHE   9           H        PHE   9  -3.733   1.191   0.745
   52    HA   PHE   9           HA       PHE   9  -1.824   2.385   2.502
   53    HB2  PHE   9           1HB      PHE   9  -3.592   0.214   2.481
   54    HB3  PHE   9           2HB      PHE   9  -2.064  -0.596   2.202
   55    HD1  PHE   9           2HD      PHE   9  -0.163   0.798   3.850
   56    HD2  PHE   9           1HD      PHE   9  -4.225  -0.114   4.671
   57    HE1  PHE   9           2HE      PHE   9   0.320   0.862   6.312
   58    HE2  PHE   9           1HE      PHE   9  -3.742  -0.050   7.134
   59    HZ   PHE   9           HZ       PHE   9  -1.475   0.437   7.924
   60    H    ILE  10           H        ILE  10  -1.762   0.661  -0.570
   61    HA   ILE  10           HA       ILE  10   0.761  -0.482  -0.425
   62    HB   ILE  10           HB       ILE  10  -0.743   0.640  -2.792
   63   HG12  ILE  10          1HG1      ILE  10  -0.786  -2.027  -1.385
   64   HG13  ILE  10          2HG1      ILE  10  -2.130  -0.976  -1.787
   65   HG21  ILE  10          1HG2      ILE  10   0.639  -0.858  -4.153
   66   HG22  ILE  10          2HG2      ILE  10   1.624   0.368  -3.317
   67   HG23  ILE  10          3HG2      ILE  10   1.580  -1.305  -2.710
   68   HD11  ILE  10          3HD1      ILE  10  -2.179  -2.774  -3.385
   69   HD12  ILE  10          1HD1      ILE  10  -1.550  -1.357  -4.260
   70   HD13  ILE  10          2HD1      ILE  10  -0.434  -2.627  -3.704
   71    H    GLU  11           H        GLU  11  -0.277   2.877  -0.751
   72    HA   GLU  11           HA       GLU  11   2.020   3.884  -1.911
   73    HB2  GLU  11           1HB      GLU  11   0.056   5.178   0.030
   74    HB3  GLU  11           2HB      GLU  11   1.272   6.065  -0.866
   75    HG2  GLU  11           1HG      GLU  11   0.154   4.736  -2.945
   76    HG3  GLU  11           2HG      GLU  11  -1.228   4.724  -1.868
   77    H    ASN  12           H        ASN  12   1.431   2.568   1.260
   78    HA   ASN  12           HA       ASN  12   3.899   3.802   2.194
   79    HB2  ASN  12           1HB      ASN  12   1.489   2.652   3.679
   80    HB3  ASN  12           2HB      ASN  12   3.007   2.955   4.501
   81   HD21  ASN  12          1HD2      ASN  12   0.292   4.155   4.709
   82   HD22  ASN  12          2HD2      ASN  12   0.502   5.868   4.558
   83    H    ALA  13           H        ALA  13   2.001   0.802   1.686
   84    HA   ALA  13           HA       ALA  13   3.931  -0.908   2.916
   85    HB1  ALA  13           1HB      ALA  13   1.319  -1.159   2.455
   86    HB2  ALA  13           2HB      ALA  13   1.897  -1.879   0.932
   87    HB3  ALA  13           3HB      ALA  13   2.391  -2.579   2.492
   88    H    TRP  14           H        TRP  14   3.715   0.811  -0.062
   89    HA   TRP  14           HA       TRP  14   5.451  -1.126  -1.407
   90    HB2  TRP  14           1HB      TRP  14   3.366  -0.279  -2.525
   91    HB3  TRP  14           2HB      TRP  14   4.099   1.312  -2.565
   92    HD1  TRP  14           HD       TRP  14   6.495  -1.565  -3.249
   93    HE1  TRP  14           1HE      TRP  14   7.213  -1.668  -5.787
   94    HE3  TRP  14           3HE      TRP  14   3.099   1.844  -4.894
   95    HZ2  TRP  14           2HZ      TRP  14   6.301  -0.343  -8.144
   96    HZ3  TRP  14           3HZ      TRP  14   3.079   2.382  -7.328
   97    HH2  TRP  14           HH       TRP  14   4.606   1.350  -8.933
   98    H    GLU  15           H        GLU  15   5.183   2.493  -1.478
   99    HA   GLU  15           HA       GLU  15   7.686   3.101  -2.027
  100    HB2  GLU  15           1HB      GLU  15   5.850   4.470  -0.019
  101    HB3  GLU  15           2HB      GLU  15   7.345   5.192  -0.581
  102    HG2  GLU  15           1HG      GLU  15   5.421   4.165  -2.663
  103    HG3  GLU  15           2HG      GLU  15   4.993   5.640  -1.820
  104    H    GLY  16           H        GLY  16   6.491   1.901   1.116
  105    HA2  GLY  16           1HA      GLY  16   8.859   2.475   2.592
  106    HA3  GLY  16           2HA      GLY  16   7.548   1.404   3.047
  107    H    MET  17           H        MET  17   7.498  -0.524   1.047
  108    HA   MET  17           HA       MET  17   9.691  -2.088   1.797
  109    HB2  MET  17           1HB      MET  17   7.275  -2.300   0.029
  110    HB3  MET  17           2HB      MET  17   8.591  -3.371  -0.406
  111    HG2  MET  17           1HG      MET  17   8.552  -3.764   2.310
  112    HG3  MET  17           2HG      MET  17   6.863  -3.382   2.041
  113    HE1  MET  17           3HE      MET  17   5.255  -4.598   0.802
  114    HE2  MET  17           1HE      MET  17   5.355  -6.356   0.543
  115    HE3  MET  17           2HE      MET  17   5.508  -5.688   2.187
  116    H    ILE  18           H        ILE  18   9.458   0.437  -0.455
  117    HA   ILE  18           HA       ILE  18  11.430  -0.761  -2.247
  118    HB   ILE  18           HB       ILE  18   9.838   1.794  -2.494
  119   HG12  ILE  18          1HG1      ILE  18   8.649  -0.535  -2.566
  120   HG13  ILE  18          2HG1      ILE  18   8.271   0.692  -3.758
  121   HG21  ILE  18          1HG2      ILE  18  11.993   0.551  -4.130
  122   HG22  ILE  18          2HG2      ILE  18  10.619   1.279  -4.994
  123   HG23  ILE  18          3HG2      ILE  18  11.584   2.263  -3.869
  124   HD11  ILE  18          3HD1      ILE  18  10.560  -1.105  -4.446
  125   HD12  ILE  18          1HD1      ILE  18   8.948  -1.860  -4.415
  126   HD13  ILE  18          2HD1      ILE  18   9.260  -0.471  -5.483
  127    H    ASP  19           H        ASP  19  10.961   1.615   0.327
  128    HA   ASP  19           HA       ASP  19  12.408   2.710   1.525
  129    HB2  ASP  19           1HB      ASP  19  13.924   0.654   1.029
  130    HB3  ASP  19           2HB      ASP  19  14.695   1.652  -0.188
  131    H    GLY  20           H        GLY  20  11.159   4.185  -0.351
  132    HA2  GLY  20           1HA      GLY  20  13.286   5.797  -1.632
  133    HA3  GLY  20           2HA      GLY  20  11.748   5.452  -2.400
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1 -14.541  -3.901   0.125
    2    HA2  GLY   1           1HA      GLY   1 -14.442  -1.602  -0.093
    3    HA3  GLY   1           2HA      GLY   1 -15.065  -1.397   1.532
    4    H    LEU   2           H        LEU   2 -13.127  -3.498   2.619
    5    HA   LEU   2           HA       LEU   2 -11.007  -1.658   3.148
    6    HB2  LEU   2           1HB      LEU   2 -12.188  -3.508   4.625
    7    HB3  LEU   2           2HB      LEU   2 -10.926  -4.529   3.962
    8    HG   LEU   2           HG       LEU   2  -9.223  -2.913   4.819
    9   HD11  LEU   2          1HD1      LEU   2  -9.841  -0.875   5.436
   10   HD12  LEU   2          2HD1      LEU   2 -11.562  -1.311   5.306
   11   HD13  LEU   2          3HD1      LEU   2 -10.688  -1.587   6.832
   12   HD21  LEU   2          3HD2      LEU   2 -11.079  -4.076   6.915
   13   HD22  LEU   2          1HD2      LEU   2  -9.798  -4.956   6.046
   14   HD23  LEU   2          2HD2      LEU   2  -9.374  -3.623   7.148
   15    H    PHE   3           H        PHE   3 -11.318  -4.851   1.458
   16    HA   PHE   3           HA       PHE   3  -8.673  -5.109   0.739
   17    HB2  PHE   3           1HB      PHE   3 -11.066  -6.459   0.412
   18    HB3  PHE   3           2HB      PHE   3 -10.866  -5.833  -1.214
   19    HD1  PHE   3           2HD      PHE   3  -8.970  -6.560  -2.601
   20    HD2  PHE   3           1HD      PHE   3  -9.623  -8.191   1.262
   21    HE1  PHE   3           2HE      PHE   3  -7.420  -8.458  -3.141
   22    HE2  PHE   3           1HE      PHE   3  -8.073 -10.091   0.721
   23    HZ   PHE   3           HZ       PHE   3  -6.991 -10.202  -1.474
   24    H    GLY   4           H        GLY   4 -11.116  -2.877  -0.435
   25    HA2  GLY   4           1HA      GLY   4  -9.717  -2.359  -2.934
   26    HA3  GLY   4           2HA      GLY   4 -11.206  -1.629  -2.367
   27    H    ALA   5           H        ALA   5  -9.781  -1.231   0.400
   28    HA   ALA   5           HA       ALA   5  -8.780   1.388  -0.272
   29    HB1  ALA   5           1HB      ALA   5  -9.838   1.725   1.691
   30    HB2  ALA   5           2HB      ALA   5  -9.880  -0.019   2.048
   31    HB3  ALA   5           3HB      ALA   5  -8.442   0.941   2.468
   32    H    ILE   6           H        ILE   6  -7.566  -1.837   0.504
   33    HA   ILE   6           HA       ILE   6  -5.131  -1.351   1.577
   34    HB   ILE   6           HB       ILE   6  -5.825  -3.351  -0.578
   35   HG12  ILE   6          1HG1      ILE   6  -6.181  -3.355   2.419
   36   HG13  ILE   6          2HG1      ILE   6  -7.380  -3.648   1.175
   37   HG21  ILE   6          1HG2      ILE   6  -3.929  -4.577  -0.010
   38   HG22  ILE   6          2HG2      ILE   6  -3.343  -2.896  -0.045
   39   HG23  ILE   6          3HG2      ILE   6  -3.685  -3.688   1.512
   40   HD11  ILE   6          3HD1      ILE   6  -6.280  -5.758   0.539
   41   HD12  ILE   6          1HD1      ILE   6  -4.971  -5.447   1.705
   42   HD13  ILE   6          2HD1      ILE   6  -6.624  -5.759   2.285
   43    H    ALA   7           H        ALA   7  -6.106  -1.029  -1.882
   44    HA   ALA   7           HA       ALA   7  -3.687  -0.599  -3.035
   45    HB1  ALA   7           1HB      ALA   7  -5.788  -0.715  -4.270
   46    HB2  ALA   7           2HB      ALA   7  -6.341   0.809  -3.534
   47    HB3  ALA   7           3HB      ALA   7  -4.961   0.813  -4.658
   48    H    GLY   8           H        GLY   8  -5.691   1.718  -1.127
   49    HA2  GLY   8           1HA      GLY   8  -4.055   3.975  -1.560
   50    HA3  GLY   8           2HA      GLY   8  -5.215   3.741  -0.268
   51    H    PHE   9           H        PHE   9  -3.882   1.192   0.673
   52    HA   PHE   9           HA       PHE   9  -2.012   2.472   2.411
   53    HB2  PHE   9           1HB      PHE   9  -3.698   0.588   2.939
   54    HB3  PHE   9           2HB      PHE   9  -2.729  -0.485   1.948
   55    HD1  PHE   9           1HD      PHE   9  -1.759   2.049   4.516
   56    HD2  PHE   9           2HD      PHE   9  -1.722  -2.028   3.336
   57    HE1  PHE   9           1HE      PHE   9  -0.342   1.485   6.509
   58    HE2  PHE   9           2HE      PHE   9  -0.306  -2.592   5.330
   59    HZ   PHE   9           HZ       PHE   9   0.367  -0.829   6.893
   60    H    ILE  10           H        ILE  10  -1.886   0.638  -0.595
   61    HA   ILE  10           HA       ILE  10   0.648  -0.468  -0.372
   62    HB   ILE  10           HB       ILE  10  -0.835   0.548  -2.799
   63   HG12  ILE  10          1HG1      ILE  10  -0.868  -2.066  -1.296
   64   HG13  ILE  10          2HG1      ILE  10  -2.217  -1.047  -1.755
   65   HG21  ILE  10          1HG2      ILE  10   1.517  -1.354  -2.607
   66   HG22  ILE  10          2HG2      ILE  10   0.584  -0.996  -4.080
   67   HG23  ILE  10          3HG2      ILE  10   1.534   0.289  -3.294
   68   HD11  ILE  10          3HD1      ILE  10  -2.199  -2.928  -3.274
   69   HD12  ILE  10          1HD1      ILE  10  -1.634  -1.514  -4.197
   70   HD13  ILE  10          2HD1      ILE  10  -0.463  -2.717  -3.606
   71    H    GLU  11           H        GLU  11  -0.425   2.864  -0.837
   72    HA   GLU  11           HA       GLU  11   1.877   3.855  -2.001
   73    HB2  GLU  11           1HB      GLU  11   0.990   5.992  -1.534
   74    HB3  GLU  11           2HB      GLU  11  -0.434   4.976  -1.630
   75    HG2  GLU  11           1HG      GLU  11  -0.332   4.711   0.902
   76    HG3  GLU  11           2HG      GLU  11   0.976   5.878   0.925
   77    H    ASN  12           H        ASN  12   1.258   2.649   1.209
   78    HA   ASN  12           HA       ASN  12   3.698   3.948   2.131
   79    HB2  ASN  12           1HB      ASN  12   1.146   3.100   3.482
   80    HB3  ASN  12           2HB      ASN  12   2.614   2.883   4.414
   81   HD21  ASN  12          1HD2      ASN  12   0.459   4.666   4.960
   82   HD22  ASN  12          2HD2      ASN  12   1.065   6.289   4.947
   83    H    ALA  13           H        ALA  13   1.843   0.907   1.707
   84    HA   ALA  13           HA       ALA  13   3.775  -0.732   3.025
   85    HB1  ALA  13           1HB      ALA  13   1.928  -2.011   3.054
   86    HB2  ALA  13           2HB      ALA  13   1.123  -0.961   1.863
   87    HB3  ALA  13           3HB      ALA  13   2.164  -2.296   1.313
   88    H    TRP  14           H        TRP  14   3.582   0.874  -0.016
   89    HA   TRP  14           HA       TRP  14   5.360  -1.090  -1.264
   90    HB2  TRP  14           1HB      TRP  14   3.280  -0.309  -2.443
   91    HB3  TRP  14           2HB      TRP  14   3.995   1.288  -2.530
   92    HD1  TRP  14           HD       TRP  14   6.434  -1.582  -3.076
   93    HE1  TRP  14           1HE      TRP  14   7.190  -1.770  -5.597
   94    HE3  TRP  14           3HE      TRP  14   3.022   1.721  -4.891
   95    HZ2  TRP  14           2HZ      TRP  14   6.296  -0.543  -8.014
   96    HZ3  TRP  14           3HZ      TRP  14   3.031   2.170  -7.343
   97    HH2  TRP  14           HH       TRP  14   4.594   1.100  -8.888
   98    H    GLU  15           H        GLU  15   5.050   2.521  -1.473
   99    HA   GLU  15           HA       GLU  15   7.553   3.139  -2.008
  100    HB2  GLU  15           1HB      GLU  15   5.643   4.742  -1.685
  101    HB3  GLU  15           2HB      GLU  15   5.861   4.623   0.050
  102    HG2  GLU  15           1HG      GLU  15   8.104   5.576  -0.084
  103    HG3  GLU  15           2HG      GLU  15   8.104   5.477  -1.834
  104    H    GLY  16           H        GLY  16   6.295   2.279   1.256
  105    HA2  GLY  16           1HA      GLY  16   8.667   2.848   2.681
  106    HA3  GLY  16           2HA      GLY  16   7.341   1.823   3.195
  107    H    MET  17           H        MET  17   7.312  -0.195   1.233
  108    HA   MET  17           HA       MET  17   9.427  -1.775   2.147
  109    HB2  MET  17           1HB      MET  17   7.348  -2.850   1.542
  110    HB3  MET  17           2HB      MET  17   7.286  -2.041  -0.011
  111    HG2  MET  17           1HG      MET  17   9.072  -3.400  -0.909
  112    HG3  MET  17           2HG      MET  17   9.525  -3.991   0.678
  113    HE1  MET  17           3HE      MET  17   7.106  -6.207  -2.161
  114    HE2  MET  17           1HE      MET  17   7.136  -4.442  -2.386
  115    HE3  MET  17           2HE      MET  17   8.662  -5.342  -2.205
  116    H    ILE  18           H        ILE  18   9.373   0.675  -0.197
  117    HA   ILE  18           HA       ILE  18  11.357  -0.626  -1.890
  118    HB   ILE  18           HB       ILE  18   9.899   2.007  -2.140
  119   HG12  ILE  18          1HG1      ILE  18   8.685  -0.297  -2.417
  120   HG13  ILE  18          2HG1      ILE  18   8.409   0.998  -3.565
  121   HG21  ILE  18          1HG2      ILE  18  11.843   2.443  -3.292
  122   HG22  ILE  18          2HG2      ILE  18  12.078   0.743  -3.766
  123   HG23  ILE  18          3HG2      ILE  18  10.830   1.727  -4.568
  124   HD11  ILE  18          3HD1      ILE  18   9.789   0.003  -5.224
  125   HD12  ILE  18          1HD1      ILE  18  10.608  -1.042  -4.039
  126   HD13  ILE  18          2HD1      ILE  18   8.923  -1.376  -4.505
  127    H    ASP  19           H        ASP  19  10.916   2.060   0.454
  128    HA   ASP  19           HA       ASP  19  12.344   3.471   1.327
  129    HB2  ASP  19           1HB      ASP  19  13.558   0.745   1.574
  130    HB3  ASP  19           2HB      ASP  19  14.628   2.079   1.949
  131    H    GLY  20           H        GLY  20  12.829   4.815  -0.561
  132    HA2  GLY  20           1HA      GLY  20  15.497   5.130  -1.228
  133    HA3  GLY  20           2HA      GLY  20  14.806   4.109  -2.474
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1 -13.814  -4.398   1.460
    2    HA2  GLY   1           1HA      GLY   1 -14.369  -2.129   0.217
    3    HA3  GLY   1           2HA      GLY   1 -14.987  -1.750   1.812
    4    H    LEU   2           H        LEU   2 -12.931  -3.590   3.128
    5    HA   LEU   2           HA       LEU   2 -10.908  -1.593   3.386
    6    HB2  LEU   2           1HB      LEU   2 -11.974  -3.300   5.103
    7    HB3  LEU   2           2HB      LEU   2 -10.667  -4.329   4.553
    8    HG   LEU   2           HG       LEU   2  -9.312  -2.009   5.070
    9   HD11  LEU   2          1HD1      LEU   2 -10.535  -1.862   7.600
   10   HD12  LEU   2          2HD1      LEU   2 -10.491  -0.616   6.330
   11   HD13  LEU   2          3HD1      LEU   2 -11.852  -1.759   6.407
   12   HD21  LEU   2          3HD2      LEU   2  -8.998  -4.492   5.799
   13   HD22  LEU   2          1HD2      LEU   2  -8.280  -3.184   6.769
   14   HD23  LEU   2          2HD2      LEU   2  -9.791  -3.961   7.301
   15    H    PHE   3           H        PHE   3 -11.060  -4.987   2.120
   16    HA   PHE   3           HA       PHE   3  -8.413  -5.193   1.396
   17    HB2  PHE   3           1HB      PHE   3 -10.731  -6.698   1.279
   18    HB3  PHE   3           2HB      PHE   3 -10.580  -6.276  -0.415
   19    HD1  PHE   3           1HD      PHE   3  -8.628  -7.046  -1.715
   20    HD2  PHE   3           2HD      PHE   3  -9.222  -8.256   2.309
   21    HE1  PHE   3           1HE      PHE   3  -6.984  -8.915  -2.035
   22    HE2  PHE   3           2HE      PHE   3  -7.577 -10.125   1.989
   23    HZ   PHE   3           HZ       PHE   3  -6.477 -10.432  -0.178
   24    H    GLY   4           H        GLY   4 -10.983  -3.260  -0.011
   25    HA2  GLY   4           1HA      GLY   4  -9.638  -2.991  -2.578
   26    HA3  GLY   4           2HA      GLY   4 -11.159  -2.275  -2.084
   27    H    ALA   5           H        ALA   5  -9.733  -1.453   0.586
   28    HA   ALA   5           HA       ALA   5  -8.882   1.108  -0.427
   29    HB1  ALA   5           1HB      ALA   5 -10.229   1.303   1.471
   30    HB2  ALA   5           2HB      ALA   5  -9.491  -0.110   2.266
   31    HB3  ALA   5           3HB      ALA   5  -8.595   1.425   2.168
   32    H    ILE   6           H        ILE   6  -7.487  -1.925   0.730
   33    HA   ILE   6           HA       ILE   6  -5.073  -1.178   1.695
   34    HB   ILE   6           HB       ILE   6  -5.677  -3.469  -0.179
   35   HG12  ILE   6          1HG1      ILE   6  -6.005  -3.113   2.800
   36   HG13  ILE   6          2HG1      ILE   6  -7.198  -3.622   1.622
   37   HG21  ILE   6          1HG2      ILE   6  -3.596  -3.760   1.895
   38   HG22  ILE   6          2HG2      ILE   6  -3.643  -4.343   0.213
   39   HG23  ILE   6          3HG2      ILE   6  -3.193  -2.655   0.558
   40   HD11  ILE   6          3HD1      ILE   6  -6.529  -5.630   2.725
   41   HD12  ILE   6          1HD1      ILE   6  -5.663  -5.661   1.170
   42   HD13  ILE   6          2HD1      ILE   6  -4.806  -5.188   2.657
   43    H    ALA   7           H        ALA   7  -6.098  -1.344  -1.759
   44    HA   ALA   7           HA       ALA   7  -3.717  -0.939  -2.998
   45    HB1  ALA   7           1HB      ALA   7  -5.698   0.733  -4.239
   46    HB2  ALA   7           2HB      ALA   7  -5.144  -0.887  -4.729
   47    HB3  ALA   7           3HB      ALA   7  -6.504  -0.717  -3.594
   48    H    GLY   8           H        GLY   8  -5.823   1.494  -1.364
   49    HA2  GLY   8           1HA      GLY   8  -4.312   3.760  -2.103
   50    HA3  GLY   8           2HA      GLY   8  -5.447   3.631  -0.773
   51    H    PHE   9           H        PHE   9  -3.968   1.290   0.456
   52    HA   PHE   9           HA       PHE   9  -2.152   2.874   1.991
   53    HB2  PHE   9           1HB      PHE   9  -3.756   0.559   2.267
   54    HB3  PHE   9           2HB      PHE   9  -2.134  -0.104   2.233
   55    HD1  PHE   9           2HD      PHE   9  -0.429   1.385   3.769
   56    HD2  PHE   9           1HD      PHE   9  -4.610   0.962   4.359
   57    HE1  PHE   9           2HE      PHE   9  -0.144   1.954   6.198
   58    HE2  PHE   9           1HE      PHE   9  -4.325   1.533   6.787
   59    HZ   PHE   9           HZ       PHE   9  -2.095   2.022   7.677
   60    H    ILE  10           H        ILE  10  -1.958   0.685  -0.763
   61    HA   ILE  10           HA       ILE  10   0.630  -0.253  -0.445
   62    HB   ILE  10           HB       ILE  10  -0.927   0.371  -2.956
   63   HG12  ILE  10          1HG1      ILE  10  -0.805  -2.031  -1.136
   64   HG13  ILE  10          2HG1      ILE  10  -2.212  -1.149  -1.698
   65   HG21  ILE  10          1HG2      ILE  10   0.558  -1.229  -4.067
   66   HG22  ILE  10          2HG2      ILE  10   1.459   0.172  -3.435
   67   HG23  ILE  10          3HG2      ILE  10   1.514  -1.385  -2.573
   68   HD11  ILE  10          3HD1      ILE  10  -0.471  -3.102  -3.219
   69   HD12  ILE  10          1HD1      ILE  10  -2.244  -3.061  -3.067
   70   HD13  ILE  10          2HD1      ILE  10  -1.412  -1.877  -4.104
   71    H    GLU  11           H        GLU  11  -0.620   2.933  -1.306
   72    HA   GLU  11           HA       GLU  11   1.615   3.886  -2.623
   73    HB2  GLU  11           1HB      GLU  11  -0.793   5.016  -1.313
   74    HB3  GLU  11           2HB      GLU  11   0.575   6.112  -1.331
   75    HG2  GLU  11           1HG      GLU  11  -0.025   4.638  -3.884
   76    HG3  GLU  11           2HG      GLU  11  -1.147   5.899  -3.413
   77    H    ASN  12           H        ASN  12   1.092   3.065   0.723
   78    HA   ASN  12           HA       ASN  12   3.469   4.593   1.434
   79    HB2  ASN  12           1HB      ASN  12   1.085   3.596   3.051
   80    HB3  ASN  12           2HB      ASN  12   2.589   3.996   3.856
   81   HD21  ASN  12          1HD2      ASN  12  -0.273   5.168   3.475
   82   HD22  ASN  12          2HD2      ASN  12  -0.005   6.865   3.256
   83    H    ALA  13           H        ALA  13   1.773   1.432   1.425
   84    HA   ALA  13           HA       ALA  13   3.802   0.073   2.907
   85    HB1  ALA  13           1HB      ALA  13   2.402  -1.780   2.702
   86    HB2  ALA  13           2HB      ALA  13   1.238  -0.439   2.576
   87    HB3  ALA  13           3HB      ALA  13   1.795  -1.277   1.107
   88    H    TRP  14           H        TRP  14   3.494   1.270  -0.308
   89    HA   TRP  14           HA       TRP  14   5.361  -0.742  -1.329
   90    HB2  TRP  14           1HB      TRP  14   3.231  -0.224  -2.561
   91    HB3  TRP  14           2HB      TRP  14   3.859   1.384  -2.861
   92    HD1  TRP  14           HD       TRP  14   6.442  -1.405  -3.082
   93    HE1  TRP  14           1HE      TRP  14   7.181  -1.870  -5.572
   94    HE3  TRP  14           3HE      TRP  14   2.842   1.466  -5.241
   95    HZ2  TRP  14           2HZ      TRP  14   6.200  -1.004  -8.108
   96    HZ3  TRP  14           3HZ      TRP  14   2.803   1.601  -7.730
   97    HH2  TRP  14           HH       TRP  14   4.405   0.426  -9.153
   98    H    GLU  15           H        GLU  15   4.859   2.792  -1.984
   99    HA   GLU  15           HA       GLU  15   7.320   3.465  -2.635
  100    HB2  GLU  15           1HB      GLU  15   5.031   4.847  -1.941
  101    HB3  GLU  15           2HB      GLU  15   6.143   5.389  -0.699
  102    HG2  GLU  15           1HG      GLU  15   6.932   5.371  -3.640
  103    HG3  GLU  15           2HG      GLU  15   6.080   6.729  -2.929
  104    H    GLY  16           H        GLY  16   6.192   2.688   0.659
  105    HA2  GLY  16           1HA      GLY  16   8.470   3.668   2.043
  106    HA3  GLY  16           2HA      GLY  16   7.268   2.538   2.633
  107    H    MET  17           H        MET  17   7.444   0.353   0.947
  108    HA   MET  17           HA       MET  17   9.769  -0.859   1.902
  109    HB2  MET  17           1HB      MET  17   7.389  -1.545   0.248
  110    HB3  MET  17           2HB      MET  17   8.811  -2.471  -0.195
  111    HG2  MET  17           1HG      MET  17   8.835  -2.516   2.627
  112    HG3  MET  17           2HG      MET  17   7.137  -2.671   2.223
  113    HE1  MET  17           3HE      MET  17   6.904  -5.511   2.927
  114    HE2  MET  17           1HE      MET  17   8.525  -6.241   3.008
  115    HE3  MET  17           2HE      MET  17   8.227  -4.651   3.749
  116    H    ILE  18           H        ILE  18   9.339   1.311  -0.668
  117    HA   ILE  18           HA       ILE  18  11.414   0.084  -2.309
  118    HB   ILE  18           HB       ILE  18   9.637   2.483  -2.767
  119   HG12  ILE  18          1HG1      ILE  18   8.693   0.041  -2.733
  120   HG13  ILE  18          2HG1      ILE  18   8.226   1.158  -4.001
  121   HG21  ILE  18          1HG2      ILE  18  11.501   2.988  -4.038
  122   HG22  ILE  18          2HG2      ILE  18  11.869   1.279  -4.377
  123   HG23  ILE  18          3HG2      ILE  18  10.498   2.072  -5.188
  124   HD11  ILE  18          3HD1      ILE  18   9.776   0.177  -5.575
  125   HD12  ILE  18          1HD1      ILE  18  10.575  -0.764  -4.293
  126   HD13  ILE  18          2HD1      ILE  18   8.916  -1.171  -4.793
  127    H    ASP  19           H        ASP  19  10.713   2.930  -0.235
  128    HA   ASP  19           HA       ASP  19  13.190   4.145  -0.827
  129    HB2  ASP  19           1HB      ASP  19  11.271   5.474  -0.067
  130    HB3  ASP  19           2HB      ASP  19  11.159   4.546   1.416
  131    H    GLY  20           H        GLY  20  14.433   2.005  -0.366
  132    HA2  GLY  20           1HA      GLY  20  16.228   1.687   1.266
  133    HA3  GLY  20           2HA      GLY  20  15.016   1.787   2.528
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1 -15.052  -3.905   2.333
    2    HA2  GLY   1           1HA      GLY   1 -14.416  -2.021   0.195
    3    HA3  GLY   1           2HA      GLY   1 -15.024  -1.655   1.797
    4    H    LEU   2           H        LEU   2 -12.994  -3.545   3.081
    5    HA   LEU   2           HA       LEU   2 -10.941  -1.583   3.367
    6    HB2  LEU   2           1HB      LEU   2 -12.027  -3.302   5.058
    7    HB3  LEU   2           2HB      LEU   2 -10.737  -4.342   4.487
    8    HG   LEU   2           HG       LEU   2  -9.050  -2.770   5.226
    9   HD11  LEU   2          1HD1      LEU   2 -11.393  -0.948   5.613
   10   HD12  LEU   2          2HD1      LEU   2  -9.974  -0.777   6.675
   11   HD13  LEU   2          3HD1      LEU   2  -9.790  -0.623   4.912
   12   HD21  LEU   2          3HD2      LEU   2  -9.118  -3.591   7.292
   13   HD22  LEU   2          1HD2      LEU   2 -10.580  -2.659   7.696
   14   HD23  LEU   2          2HD2      LEU   2 -10.726  -4.240   6.892
   15    H    PHE   3           H        PHE   3 -11.143  -4.953   2.045
   16    HA   PHE   3           HA       PHE   3  -8.501  -5.184   1.310
   17    HB2  PHE   3           1HB      PHE   3 -10.840  -6.655   1.176
   18    HB3  PHE   3           2HB      PHE   3 -10.688  -6.207  -0.511
   19    HD1  PHE   3           2HD      PHE   3  -8.155  -7.202   2.051
   20    HD2  PHE   3           1HD      PHE   3  -9.944  -8.030  -1.707
   21    HE1  PHE   3           2HE      PHE   3  -6.536  -9.087   1.696
   22    HE2  PHE   3           1HE      PHE   3  -8.325  -9.915  -2.063
   23    HZ   PHE   3           HZ       PHE   3  -6.641 -10.421  -0.357
   24    H    GLY   4           H        GLY   4 -11.048  -3.194  -0.058
   25    HA2  GLY   4           1HA      GLY   4  -9.704  -2.899  -2.623
   26    HA3  GLY   4           2HA      GLY   4 -11.216  -2.174  -2.115
   27    H    ALA   5           H        ALA   5  -9.768  -1.418   0.567
   28    HA   ALA   5           HA       ALA   5  -8.892   1.153  -0.406
   29    HB1  ALA   5           1HB      ALA   5  -9.472   1.862   1.670
   30    HB2  ALA   5           2HB      ALA   5 -10.259   0.273   1.819
   31    HB3  ALA   5           3HB      ALA   5  -8.621   0.519   2.469
   32    H    ILE   6           H        ILE   6  -7.534  -1.916   0.698
   33    HA   ILE   6           HA       ILE   6  -5.110  -1.216   1.675
   34    HB   ILE   6           HB       ILE   6  -5.742  -3.466  -0.239
   35   HG12  ILE   6          1HG1      ILE   6  -6.066  -3.158   2.746
   36   HG13  ILE   6          2HG1      ILE   6  -7.265  -3.633   1.560
   37   HG21  ILE   6          1HG2      ILE   6  -3.820  -4.601   0.639
   38   HG22  ILE   6          2HG2      ILE   6  -3.310  -3.002   0.045
   39   HG23  ILE   6          3HG2      ILE   6  -3.504  -3.281   1.792
   40   HD11  ILE   6          3HD1      ILE   6  -4.847  -5.247   2.477
   41   HD12  ILE   6          1HD1      ILE   6  -6.567  -5.644   2.706
   42   HD13  ILE   6          2HD1      ILE   6  -5.850  -5.705   1.079
   43    H    ALA   7           H        ALA   7  -6.134  -1.316  -1.783
   44    HA   ALA   7           HA       ALA   7  -3.746  -0.912  -3.012
   45    HB1  ALA   7           1HB      ALA   7  -5.326  -1.032  -4.622
   46    HB2  ALA   7           2HB      ALA   7  -6.589  -0.381  -3.549
   47    HB3  ALA   7           3HB      ALA   7  -5.496   0.727  -4.412
   48    H    GLY   8           H        GLY   8  -5.833   1.511  -1.340
   49    HA2  GLY   8           1HA      GLY   8  -4.304   3.775  -2.043
   50    HA3  GLY   8           2HA      GLY   8  -5.441   3.636  -0.716
   51    H    PHE   9           H        PHE   9  -3.983   1.265   0.478
   52    HA   PHE   9           HA       PHE   9  -2.157   2.810   2.038
   53    HB2  PHE   9           1HB      PHE   9  -3.798   0.557   2.334
   54    HB3  PHE   9           2HB      PHE   9  -2.220  -0.192   2.183
   55    HD1  PHE   9           2HD      PHE   9  -3.557   2.826   3.950
   56    HD2  PHE   9           1HD      PHE   9  -1.306  -0.762   4.208
   57    HE1  PHE   9           2HE      PHE   9  -3.108   3.282   6.376
   58    HE2  PHE   9           1HE      PHE   9  -0.856  -0.305   6.635
   59    HZ   PHE   9           HZ       PHE   9  -1.763   1.711   7.690
   60    H    ILE  10           H        ILE  10  -1.978   0.661  -0.749
   61    HA   ILE  10           HA       ILE  10   0.604  -0.303  -0.443
   62    HB   ILE  10           HB       ILE  10  -0.946   0.372  -2.946
   63   HG12  ILE  10          1HG1      ILE  10  -0.848  -2.058  -1.163
   64   HG13  ILE  10          2HG1      ILE  10  -2.246  -1.156  -1.712
   65   HG21  ILE  10          1HG2      ILE  10   1.475  -1.416  -2.590
   66   HG22  ILE  10          2HG2      ILE  10   0.527  -1.214  -4.083
   67   HG23  ILE  10          3HG2      ILE  10   1.443   0.159  -3.417
   68   HD11  ILE  10          3HD1      ILE  10  -0.431  -2.927  -3.406
   69   HD12  ILE  10          1HD1      ILE  10  -2.144  -3.202  -3.006
   70   HD13  ILE  10          2HD1      ILE  10  -1.686  -1.867  -4.091
   71    H    GLU  11           H        GLU  11  -0.620   2.906  -1.256
   72    HA   GLU  11           HA       GLU  11   1.624   3.861  -2.555
   73    HB2  GLU  11           1HB      GLU  11  -0.769   4.998  -1.214
   74    HB3  GLU  11           2HB      GLU  11   0.610   6.080  -1.245
   75    HG2  GLU  11           1HG      GLU  11   0.771   5.334  -3.799
   76    HG3  GLU  11           2HG      GLU  11  -0.907   4.877  -3.573
   77    H    ASN  12           H        ASN  12   1.090   2.993   0.777
   78    HA   ASN  12           HA       ASN  12   3.479   4.489   1.514
   79    HB2  ASN  12           1HB      ASN  12   1.081   3.494   3.108
   80    HB3  ASN  12           2HB      ASN  12   2.588   3.854   3.927
   81   HD21  ASN  12          1HD2      ASN  12   2.096   5.641   5.012
   82   HD22  ASN  12          2HD2      ASN  12   1.574   7.142   4.323
   83    H    ALA  13           H        ALA  13   1.757   1.343   1.455
   84    HA   ALA  13           HA       ALA  13   3.773  -0.055   2.918
   85    HB1  ALA  13           1HB      ALA  13   1.274  -0.606   2.727
   86    HB2  ALA  13           2HB      ALA  13   1.643  -1.224   1.099
   87    HB3  ALA  13           3HB      ALA  13   2.404  -1.966   2.526
   88    H    TRP  14           H        TRP  14   3.479   1.194  -0.280
   89    HA   TRP  14           HA       TRP  14   5.330  -0.818  -1.330
   90    HB2  TRP  14           1HB      TRP  14   3.206  -0.263  -2.556
   91    HB3  TRP  14           2HB      TRP  14   3.849   1.345  -2.830
   92    HD1  TRP  14           HD       TRP  14   6.407  -1.461  -3.091
   93    HE1  TRP  14           1HE      TRP  14   7.146  -1.894  -5.587
   94    HE3  TRP  14           3HE      TRP  14   2.835   1.472  -5.209
   95    HZ2  TRP  14           2HZ      TRP  14   6.175  -0.981  -8.111
   96    HZ3  TRP  14           3HZ      TRP  14   2.799   1.647  -7.696
   97    HH2  TRP  14           HH       TRP  14   4.393   0.479  -9.135
   98    H    GLU  15           H        GLU  15   4.858   2.731  -1.930
   99    HA   GLU  15           HA       GLU  15   7.326   3.393  -2.567
  100    HB2  GLU  15           1HB      GLU  15   5.136   4.831  -2.106
  101    HB3  GLU  15           2HB      GLU  15   5.919   5.180  -0.577
  102    HG2  GLU  15           1HG      GLU  15   7.853   6.143  -1.676
  103    HG3  GLU  15           2HG      GLU  15   7.357   5.530  -3.241
  104    H    GLY  16           H        GLY  16   6.188   2.572   0.711
  105    HA2  GLY  16           1HA      GLY  16   8.435   3.526   2.139
  106    HA3  GLY  16           2HA      GLY  16   7.264   2.337   2.674
  107    H    MET  17           H        MET  17   7.505   0.202   0.977
  108    HA   MET  17           HA       MET  17   9.931  -0.906   1.844
  109    HB2  MET  17           1HB      MET  17   7.771  -1.818  -0.132
  110    HB3  MET  17           2HB      MET  17   9.116  -2.845   0.324
  111    HG2  MET  17           1HG      MET  17   8.349  -2.297   2.808
  112    HG3  MET  17           2HG      MET  17   6.832  -1.847   2.053
  113    HE1  MET  17           3HE      MET  17   6.096  -5.260   3.577
  114    HE2  MET  17           1HE      MET  17   6.277  -3.513   3.868
  115    HE3  MET  17           2HE      MET  17   5.067  -4.101   2.703
  116    H    ILE  18           H        ILE  18   9.239   1.193  -0.729
  117    HA   ILE  18           HA       ILE  18  11.245   0.022  -2.488
  118    HB   ILE  18           HB       ILE  18   9.370   2.362  -2.853
  119   HG12  ILE  18          1HG1      ILE  18   8.484  -0.093  -2.702
  120   HG13  ILE  18          2HG1      ILE  18   7.908   0.980  -3.962
  121   HG21  ILE  18          1HG2      ILE  18  11.128   2.880  -4.264
  122   HG22  ILE  18          2HG2      ILE  18  11.504   1.174  -4.603
  123   HG23  ILE  18          3HG2      ILE  18  10.060   1.927  -5.321
  124   HD11  ILE  18          3HD1      ILE  18   8.972  -1.532  -4.399
  125   HD12  ILE  18          1HD1      ILE  18   8.882  -0.246  -5.626
  126   HD13  ILE  18          2HD1      ILE  18  10.381  -0.486  -4.698
  127    H    ASP  19           H        ASP  19  10.712   2.617  -0.144
  128    HA   ASP  19           HA       ASP  19  13.190   3.860  -0.959
  129    HB2  ASP  19           1HB      ASP  19  11.036   4.599   1.069
  130    HB3  ASP  19           2HB      ASP  19  12.534   5.498   0.929
  131    H    GLY  20           H        GLY  20  14.679   2.181  -0.199
  132    HA2  GLY  20           1HA      GLY  20  15.095   2.238   2.695
  133    HA3  GLY  20           2HA      GLY  20  14.797   0.676   1.958
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1 -14.762  -3.951   2.671
    2    HA2  GLY   1           1HA      GLY   1 -14.315  -1.922   0.596
    3    HA3  GLY   1           2HA      GLY   1 -14.841  -1.650   2.245
    4    H    LEU   2           H        LEU   2 -12.769  -3.630   3.310
    5    HA   LEU   2           HA       LEU   2 -10.684  -1.702   3.607
    6    HB2  LEU   2           1HB      LEU   2 -11.705  -3.507   5.250
    7    HB3  LEU   2           2HB      LEU   2 -10.455  -4.521   4.557
    8    HG   LEU   2           HG       LEU   2  -8.928  -2.408   5.157
    9   HD11  LEU   2          1HD1      LEU   2 -10.739  -1.021   5.993
   10   HD12  LEU   2          2HD1      LEU   2 -11.174  -2.267   7.186
   11   HD13  LEU   2          3HD1      LEU   2  -9.610  -1.427   7.307
   12   HD21  LEU   2          3HD2      LEU   2  -8.302  -4.510   5.953
   13   HD22  LEU   2          1HD2      LEU   2  -8.558  -3.554   7.432
   14   HD23  LEU   2          2HD2      LEU   2  -9.799  -4.712   6.894
   15    H    PHE   3           H        PHE   3 -10.990  -4.986   2.105
   16    HA   PHE   3           HA       PHE   3  -8.388  -5.197   1.228
   17    HB2  PHE   3           1HB      PHE   3 -10.747  -6.639   1.128
   18    HB3  PHE   3           2HB      PHE   3 -10.673  -6.097  -0.536
   19    HD1  PHE   3           2HD      PHE   3  -8.488  -6.586  -1.827
   20    HD2  PHE   3           1HD      PHE   3  -9.550  -8.526   1.795
   21    HE1  PHE   3           2HE      PHE   3  -6.909  -8.460  -2.368
   22    HE2  PHE   3           1HE      PHE   3  -7.971 -10.400   1.253
   23    HZ   PHE   3           HZ       PHE   3  -6.669 -10.345  -0.822
   24    H    GLY   4           H        GLY   4 -10.979  -3.112   0.105
   25    HA2  GLY   4           1HA      GLY   4  -9.760  -2.682  -2.504
   26    HA3  GLY   4           2HA      GLY   4 -11.237  -1.975  -1.880
   27    H    ALA   5           H        ALA   5  -9.654  -1.383   0.765
   28    HA   ALA   5           HA       ALA   5  -8.799   1.231  -0.103
   29    HB1  ALA   5           1HB      ALA   5  -8.281   1.053   2.599
   30    HB2  ALA   5           2HB      ALA   5  -9.832   1.564   1.888
   31    HB3  ALA   5           3HB      ALA   5  -9.599  -0.127   2.399
   32    H    ILE   6           H        ILE   6  -7.418  -1.906   0.750
   33    HA   ILE   6           HA       ILE   6  -4.941  -1.284   1.641
   34    HB   ILE   6           HB       ILE   6  -5.693  -3.412  -0.367
   35   HG12  ILE   6          1HG1      ILE   6  -5.862  -3.279   2.644
   36   HG13  ILE   6          2HG1      ILE   6  -7.124  -3.673   1.494
   37   HG21  ILE   6          1HG2      ILE   6  -3.339  -3.319   1.539
   38   HG22  ILE   6          2HG2      ILE   6  -3.743  -4.621   0.395
   39   HG23  ILE   6          3HG2      ILE   6  -3.255  -3.021  -0.214
   40   HD11  ILE   6          3HD1      ILE   6  -5.463  -5.652   0.816
   41   HD12  ILE   6          1HD1      ILE   6  -4.828  -5.374   2.455
   42   HD13  ILE   6          2HD1      ILE   6  -6.539  -5.808   2.225
   43    H    ALA   7           H        ALA   7  -6.139  -1.171  -1.759
   44    HA   ALA   7           HA       ALA   7  -3.813  -0.715  -3.084
   45    HB1  ALA   7           1HB      ALA   7  -6.203   0.976  -3.750
   46    HB2  ALA   7           2HB      ALA   7  -5.171  -0.007  -4.815
   47    HB3  ALA   7           3HB      ALA   7  -6.387  -0.794  -3.780
   48    H    GLY   8           H        GLY   8  -5.780   1.621  -1.162
   49    HA2  GLY   8           1HA      GLY   8  -4.263   3.911  -1.809
   50    HA3  GLY   8           2HA      GLY   8  -5.331   3.701  -0.435
   51    H    PHE   9           H        PHE   9  -3.846   1.253   0.543
   52    HA   PHE   9           HA       PHE   9  -1.920   2.683   2.093
   53    HB2  PHE   9           1HB      PHE   9  -3.583   0.516   2.444
   54    HB3  PHE   9           2HB      PHE   9  -2.124  -0.339   1.985
   55    HD1  PHE   9           1HD      PHE   9  -0.095  -0.170   3.397
   56    HD2  PHE   9           2HD      PHE   9  -3.781   1.563   4.587
   57    HE1  PHE   9           1HE      PHE   9   0.746  -0.004   5.756
   58    HE2  PHE   9           2HE      PHE   9  -2.940   1.730   6.946
   59    HZ   PHE   9           HZ       PHE   9  -0.687   0.945   7.502
   60    H    ILE  10           H        ILE  10  -1.912   0.705  -0.824
   61    HA   ILE  10           HA       ILE  10   0.670  -0.299  -0.713
   62    HB   ILE  10           HB       ILE  10  -0.999   0.540  -3.085
   63   HG12  ILE  10          1HG1      ILE  10  -0.838  -1.994  -1.459
   64   HG13  ILE  10          2HG1      ILE  10  -2.252  -1.046  -1.879
   65   HG21  ILE  10          1HG2      ILE  10   1.354   0.336  -3.700
   66   HG22  ILE  10          2HG2      ILE  10   1.419  -1.283  -2.963
   67   HG23  ILE  10          3HG2      ILE  10   0.393  -0.994  -4.388
   68   HD11  ILE  10          3HD1      ILE  10  -0.544  -2.709  -3.783
   69   HD12  ILE  10          1HD1      ILE  10  -2.223  -3.028  -3.289
   70   HD13  ILE  10          2HD1      ILE  10  -1.849  -1.624  -4.315
   71    H    GLU  11           H        GLU  11  -0.556   2.965  -1.266
   72    HA   GLU  11           HA       GLU  11   1.629   3.976  -2.622
   73    HB2  GLU  11           1HB      GLU  11  -0.516   5.175  -0.860
   74    HB3  GLU  11           2HB      GLU  11   0.801   6.188  -1.417
   75    HG2  GLU  11           1HG      GLU  11   0.137   4.956  -3.774
   76    HG3  GLU  11           2HG      GLU  11  -1.424   4.937  -2.979
   77    H    ASN  12           H        ASN  12   1.259   2.913   0.674
   78    HA   ASN  12           HA       ASN  12   3.702   4.340   1.374
   79    HB2  ASN  12           1HB      ASN  12   1.213   3.864   2.801
   80    HB3  ASN  12           2HB      ASN  12   2.509   3.078   3.679
   81   HD21  ASN  12          1HD2      ASN  12   0.836   5.874   3.301
   82   HD22  ASN  12          2HD2      ASN  12   1.955   7.031   3.939
   83    H    ALA  13           H        ALA  13   1.940   1.220   1.217
   84    HA   ALA  13           HA       ALA  13   4.013  -0.283   2.485
   85    HB1  ALA  13           1HB      ALA  13   1.375  -0.790   1.161
   86    HB2  ALA  13           2HB      ALA  13   2.521  -2.149   1.255
   87    HB3  ALA  13           3HB      ALA  13   1.982  -1.335   2.743
   88    H    TRP  14           H        TRP  14   3.567   1.159  -0.611
   89    HA   TRP  14           HA       TRP  14   5.337  -0.802  -1.876
   90    HB2  TRP  14           1HB      TRP  14   3.159  -0.155  -2.954
   91    HB3  TRP  14           2HB      TRP  14   3.805   1.461  -3.165
   92    HD1  TRP  14           HD       TRP  14   6.314  -1.347  -3.727
   93    HE1  TRP  14           1HE      TRP  14   6.917  -1.635  -6.280
   94    HE3  TRP  14           3HE      TRP  14   2.671   1.739  -5.475
   95    HZ2  TRP  14           2HZ      TRP  14   5.827  -0.563  -8.690
   96    HZ3  TRP  14           3HZ      TRP  14   2.509   2.065  -7.941
   97    HH2  TRP  14           HH       TRP  14   4.011   0.973  -9.531
   98    H    GLU  15           H        GLU  15   4.878   2.780  -2.238
   99    HA   GLU  15           HA       GLU  15   7.316   3.459  -2.963
  100    HB2  GLU  15           1HB      GLU  15   5.125   4.849  -2.176
  101    HB3  GLU  15           2HB      GLU  15   6.162   5.194  -0.807
  102    HG2  GLU  15           1HG      GLU  15   7.137   6.810  -2.066
  103    HG3  GLU  15           2HG      GLU  15   7.867   5.533  -3.018
  104    H    GLY  16           H        GLY  16   6.295   2.767   0.428
  105    HA2  GLY  16           1HA      GLY  16   8.732   3.473   1.659
  106    HA3  GLY  16           2HA      GLY  16   7.479   2.437   2.311
  107    H    MET  17           H        MET  17   7.400   0.318   0.451
  108    HA   MET  17           HA       MET  17   9.605  -1.155   1.319
  109    HB2  MET  17           1HB      MET  17   7.211  -1.528  -0.456
  110    HB3  MET  17           2HB      MET  17   8.540  -2.624  -0.775
  111    HG2  MET  17           1HG      MET  17   8.419  -2.719   1.995
  112    HG3  MET  17           2HG      MET  17   6.731  -2.484   1.587
  113    HE1  MET  17           3HE      MET  17   8.442  -6.371   1.979
  114    HE2  MET  17           1HE      MET  17   9.637  -5.070   1.769
  115    HE3  MET  17           2HE      MET  17   8.322  -4.887   2.954
  116    H    ILE  18           H        ILE  18   9.366   1.185  -1.123
  117    HA   ILE  18           HA       ILE  18  11.313  -0.131  -2.847
  118    HB   ILE  18           HB       ILE  18   9.642   2.362  -3.128
  119   HG12  ILE  18          1HG1      ILE  18   9.634  -0.319  -4.542
  120   HG13  ILE  18          2HG1      ILE  18   8.405   0.308  -3.463
  121   HG21  ILE  18          1HG2      ILE  18  10.608   2.701  -5.314
  122   HG22  ILE  18          2HG2      ILE  18  11.898   2.718  -4.088
  123   HG23  ILE  18          3HG2      ILE  18  11.663   1.281  -5.111
  124   HD11  ILE  18          3HD1      ILE  18   7.437   0.921  -5.470
  125   HD12  ILE  18          1HD1      ILE  18   8.454   2.361  -5.228
  126   HD13  ILE  18          2HD1      ILE  18   9.003   1.054  -6.305
  127    H    ASP  19           H        ASP  19  10.947   2.397  -0.392
  128    HA   ASP  19           HA       ASP  19  13.816   2.818  -0.630
  129    HB2  ASP  19           1HB      ASP  19  11.606   4.792  -0.731
  130    HB3  ASP  19           2HB      ASP  19  12.825   5.195   0.461
  131    H    GLY  20           H        GLY  20  14.422   1.635   1.231
  132    HA2  GLY  20           1HA      GLY  20  13.102   1.020   3.467
  133    HA3  GLY  20           2HA      GLY  20  14.809   1.416   3.460
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1 -14.602  -4.450   0.886
    2    HA2  GLY   1           1HA      GLY   1 -14.247  -2.270   0.469
    3    HA3  GLY   1           2HA      GLY   1 -14.830  -1.921   2.085
    4    H    LEU   2           H        LEU   2 -12.706  -3.737   3.325
    5    HA   LEU   2           HA       LEU   2 -10.714  -1.705   3.554
    6    HB2  LEU   2           1HB      LEU   2 -11.702  -3.450   5.278
    7    HB3  LEU   2           2HB      LEU   2 -10.391  -4.449   4.682
    8    HG   LEU   2           HG       LEU   2  -8.832  -2.500   5.234
    9   HD11  LEU   2          1HD1      LEU   2 -10.762  -1.523   7.252
   10   HD12  LEU   2          2HD1      LEU   2  -9.527  -0.649   6.313
   11   HD13  LEU   2          3HD1      LEU   2 -11.092  -1.050   5.567
   12   HD21  LEU   2          3HD2      LEU   2  -9.768  -4.646   6.746
   13   HD22  LEU   2          1HD2      LEU   2  -8.295  -3.690   7.034
   14   HD23  LEU   2          2HD2      LEU   2  -9.810  -3.259   7.861
   15    H    PHE   3           H        PHE   3 -10.838  -5.085   2.251
   16    HA   PHE   3           HA       PHE   3  -8.206  -5.235   1.455
   17    HB2  PHE   3           1HB      PHE   3 -10.499  -6.781   1.382
   18    HB3  PHE   3           2HB      PHE   3 -10.401  -6.337  -0.310
   19    HD1  PHE   3           2HD      PHE   3  -7.802  -7.263   2.213
   20    HD2  PHE   3           1HD      PHE   3  -9.603  -8.115  -1.533
   21    HE1  PHE   3           2HE      PHE   3  -6.132  -9.096   1.827
   22    HE2  PHE   3           1HE      PHE   3  -7.932  -9.948  -1.919
   23    HZ   PHE   3           HZ       PHE   3  -6.217 -10.417  -0.234
   24    H    GLY   4           H        GLY   4 -10.849  -3.334   0.139
   25    HA2  GLY   4           1HA      GLY   4  -9.581  -3.012  -2.460
   26    HA3  GLY   4           2HA      GLY   4 -11.097  -2.325  -1.913
   27    H    ALA   5           H        ALA   5  -9.622  -1.504   0.724
   28    HA   ALA   5           HA       ALA   5  -8.836   1.079  -0.282
   29    HB1  ALA   5           1HB      ALA   5  -8.440   0.520   2.579
   30    HB2  ALA   5           2HB      ALA   5  -9.429   1.770   1.788
   31    HB3  ALA   5           3HB      ALA   5 -10.081   0.128   2.011
   32    H    ILE   6           H        ILE   6  -7.358  -1.942   0.802
   33    HA   ILE   6           HA       ILE   6  -4.928  -1.166   1.700
   34    HB   ILE   6           HB       ILE   6  -5.552  -3.450  -0.175
   35   HG12  ILE   6          1HG1      ILE   6  -5.796  -3.124   2.816
   36   HG13  ILE   6          2HG1      ILE   6  -7.015  -3.644   1.670
   37   HG21  ILE   6          1HG2      ILE   6  -3.521  -4.377   0.263
   38   HG22  ILE   6          2HG2      ILE   6  -3.071  -2.657   0.362
   39   HG23  ILE   6          3HG2      ILE   6  -3.369  -3.587   1.850
   40   HD11  ILE   6          3HD1      ILE   6  -4.657  -5.183   2.760
   41   HD12  ILE   6          1HD1      ILE   6  -6.354  -5.692   2.589
   42   HD13  ILE   6          2HD1      ILE   6  -5.301  -5.607   1.157
   43    H    ALA   7           H        ALA   7  -6.053  -1.321  -1.722
   44    HA   ALA   7           HA       ALA   7  -3.717  -0.867  -3.029
   45    HB1  ALA   7           1HB      ALA   7  -5.712  -1.255  -4.265
   46    HB2  ALA   7           2HB      ALA   7  -6.544   0.126  -3.509
   47    HB3  ALA   7           3HB      ALA   7  -5.226   0.409  -4.672
   48    H    GLY   8           H        GLY   8  -5.809   1.518  -1.308
   49    HA2  GLY   8           1HA      GLY   8  -4.359   3.813  -2.072
   50    HA3  GLY   8           2HA      GLY   8  -5.450   3.656  -0.709
   51    H    PHE   9           H        PHE   9  -3.902   1.332   0.458
   52    HA   PHE   9           HA       PHE   9  -2.064   2.930   1.949
   53    HB2  PHE   9           1HB      PHE   9  -3.659   0.762   2.444
   54    HB3  PHE   9           2HB      PHE   9  -2.198  -0.105   2.011
   55    HD1  PHE   9           2HD      PHE   9  -2.963   2.921   4.078
   56    HD2  PHE   9           1HD      PHE   9  -1.027  -0.847   3.838
   57    HE1  PHE   9           2HE      PHE   9  -2.092   3.220   6.412
   58    HE2  PHE   9           1HE      PHE   9  -0.156  -0.548   6.174
   59    HZ   PHE   9           HZ       PHE   9  -0.700   1.482   7.433
   60    H    ILE  10           H        ILE  10  -1.919   0.768  -0.830
   61    HA   ILE  10           HA       ILE  10   0.694  -0.130  -0.600
   62    HB   ILE  10           HB       ILE  10  -0.949   0.492  -3.056
   63   HG12  ILE  10          1HG1      ILE  10  -0.736  -1.924  -1.265
   64   HG13  ILE  10          2HG1      ILE  10  -2.171  -1.059  -1.774
   65   HG21  ILE  10          1HG2      ILE  10   1.414   0.337  -3.622
   66   HG22  ILE  10          2HG2      ILE  10   1.538  -1.214  -2.759
   67   HG23  ILE  10          3HG2      ILE  10   0.528  -1.088  -4.219
   68   HD11  ILE  10          3HD1      ILE  10  -2.099  -3.079  -3.081
   69   HD12  ILE  10          1HD1      ILE  10  -1.616  -1.764  -4.179
   70   HD13  ILE  10          2HD1      ILE  10  -0.380  -2.838  -3.479
   71    H    GLU  11           H        GLU  11  -0.634   3.043  -1.394
   72    HA   GLU  11           HA       GLU  11   1.544   4.045  -2.768
   73    HB2  GLU  11           1HB      GLU  11  -0.466   5.470  -0.969
   74    HB3  GLU  11           2HB      GLU  11   0.634   6.290  -2.061
   75    HG2  GLU  11           1HG      GLU  11  -0.482   4.466  -3.786
   76    HG3  GLU  11           2HG      GLU  11  -1.821   4.697  -2.679
   77    H    ASN  12           H        ASN  12   1.137   3.185   0.584
   78    HA   ASN  12           HA       ASN  12   3.510   4.744   1.238
   79    HB2  ASN  12           1HB      ASN  12   1.007   4.248   2.648
   80    HB3  ASN  12           2HB      ASN  12   2.328   3.604   3.603
   81   HD21  ASN  12          1HD2      ASN  12   1.563   6.446   1.594
   82   HD22  ASN  12          2HD2      ASN  12   2.239   7.646   2.643
   83    H    ALA  13           H        ALA  13   1.865   1.557   1.250
   84    HA   ALA  13           HA       ALA  13   3.960   0.219   2.656
   85    HB1  ALA  13           1HB      ALA  13   1.361  -0.453   1.346
   86    HB2  ALA  13           2HB      ALA  13   2.550  -1.769   1.491
   87    HB3  ALA  13           3HB      ALA  13   1.987  -0.914   2.948
   88    H    TRP  14           H        TRP  14   3.536   1.442  -0.534
   89    HA   TRP  14           HA       TRP  14   5.398  -0.534  -1.634
   90    HB2  TRP  14           1HB      TRP  14   3.225  -0.032  -2.796
   91    HB3  TRP  14           2HB      TRP  14   3.823   1.588  -3.096
   92    HD1  TRP  14           HD       TRP  14   6.436  -1.160  -3.426
   93    HE1  TRP  14           1HE      TRP  14   7.105  -1.588  -5.942
   94    HE3  TRP  14           3HE      TRP  14   2.731   1.679  -5.442
   95    HZ2  TRP  14           2HZ      TRP  14   6.033  -0.711  -8.438
   96    HZ3  TRP  14           3HZ      TRP  14   2.612   1.841  -7.928
   97    HH2  TRP  14           HH       TRP  14   4.186   0.703  -9.411
   98    H    GLU  15           H        GLU  15   4.829   3.000  -2.233
   99    HA   GLU  15           HA       GLU  15   7.258   3.715  -2.952
  100    HB2  GLU  15           1HB      GLU  15   6.682   5.935  -2.405
  101    HB3  GLU  15           2HB      GLU  15   5.124   5.146  -2.552
  102    HG2  GLU  15           1HG      GLU  15   4.902   6.317  -0.519
  103    HG3  GLU  15           2HG      GLU  15   5.329   4.707   0.025
  104    H    GLY  16           H        GLY  16   6.229   2.968   0.394
  105    HA2  GLY  16           1HA      GLY  16   8.640   3.889   1.626
  106    HA3  GLY  16           2HA      GLY  16   7.374   2.915   2.344
  107    H    MET  17           H        MET  17   7.287   0.652   0.682
  108    HA   MET  17           HA       MET  17   9.486  -0.755   1.665
  109    HB2  MET  17           1HB      MET  17   7.169  -1.296  -0.219
  110    HB3  MET  17           2HB      MET  17   8.461  -2.479  -0.149
  111    HG2  MET  17           1HG      MET  17   7.165  -1.457   2.406
  112    HG3  MET  17           2HG      MET  17   6.420  -2.748   1.485
  113    HE1  MET  17           3HE      MET  17   8.516  -1.579   3.921
  114    HE2  MET  17           1HE      MET  17   8.307  -3.123   4.780
  115    HE3  MET  17           2HE      MET  17   9.914  -2.650   4.180
  116    H    ILE  18           H        ILE  18   9.253   1.370  -0.967
  117    HA   ILE  18           HA       ILE  18  11.105  -0.102  -2.643
  118    HB   ILE  18           HB       ILE  18   9.658   2.525  -2.950
  119   HG12  ILE  18          1HG1      ILE  18   9.368  -0.027  -4.551
  120   HG13  ILE  18          2HG1      ILE  18   8.392   0.329  -3.140
  121   HG21  ILE  18          1HG2      ILE  18  10.766   1.686  -5.420
  122   HG22  ILE  18          2HG2      ILE  18  11.129   3.155  -4.484
  123   HG23  ILE  18          3HG2      ILE  18  12.082   1.676  -4.220
  124   HD11  ILE  18          3HD1      ILE  18   8.151   2.694  -4.538
  125   HD12  ILE  18          1HD1      ILE  18   8.281   1.511  -5.862
  126   HD13  ILE  18          2HD1      ILE  18   6.996   1.343  -4.641
  127    H    ASP  19           H        ASP  19  11.002   2.517  -0.254
  128    HA   ASP  19           HA       ASP  19  13.871   2.819  -0.685
  129    HB2  ASP  19           1HB      ASP  19  11.890   4.872   0.411
  130    HB3  ASP  19           2HB      ASP  19  13.616   5.129   0.248
  131    H    GLY  20           H        GLY  20  13.612   0.796   0.887
  132    HA2  GLY  20           1HA      GLY  20  13.902   1.795   3.620
  133    HA3  GLY  20           2HA      GLY  20  12.648   0.607   3.329
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1 -14.701  -4.198   0.805
    2    HA2  GLY   1           1HA      GLY   1 -14.347  -1.992   0.533
    3    HA3  GLY   1           2HA      GLY   1 -14.893  -1.734   2.178
    4    H    LEU   2           H        LEU   2 -12.809  -3.692   3.258
    5    HA   LEU   2           HA       LEU   2 -10.751  -1.740   3.584
    6    HB2  LEU   2           1HB      LEU   2 -11.768  -3.565   5.208
    7    HB3  LEU   2           2HB      LEU   2 -10.497  -4.561   4.526
    8    HG   LEU   2           HG       LEU   2  -8.854  -2.743   5.188
    9   HD11  LEU   2          1HD1      LEU   2  -9.968  -1.469   7.290
   10   HD12  LEU   2          2HD1      LEU   2  -9.860  -0.779   5.652
   11   HD13  LEU   2          3HD1      LEU   2 -11.370  -1.550   6.195
   12   HD21  LEU   2          3HD2      LEU   2  -9.430  -4.928   6.444
   13   HD22  LEU   2          1HD2      LEU   2  -8.517  -3.660   7.297
   14   HD23  LEU   2          2HD2      LEU   2 -10.258  -3.861   7.603
   15    H    PHE   3           H        PHE   3 -11.001  -5.023   2.066
   16    HA   PHE   3           HA       PHE   3  -8.388  -5.200   1.218
   17    HB2  PHE   3           1HB      PHE   3 -10.730  -6.668   1.084
   18    HB3  PHE   3           2HB      PHE   3 -10.643  -6.118  -0.578
   19    HD1  PHE   3           1HD      PHE   3  -7.448  -6.134  -0.398
   20    HD2  PHE   3           2HD      PHE   3 -10.510  -8.986   0.310
   21    HE1  PHE   3           1HE      PHE   3  -5.843  -7.989  -0.929
   22    HE2  PHE   3           2HE      PHE   3  -8.904 -10.842  -0.220
   23    HZ   PHE   3           HZ       PHE   3  -6.591 -10.321  -0.834
   24    H    GLY   4           H        GLY   4 -10.988  -3.138   0.075
   25    HA2  GLY   4           1HA      GLY   4  -9.748  -2.684  -2.519
   26    HA3  GLY   4           2HA      GLY   4 -11.236  -1.992  -1.906
   27    H    ALA   5           H        ALA   5  -9.692  -1.393   0.756
   28    HA   ALA   5           HA       ALA   5  -8.847   1.229  -0.092
   29    HB1  ALA   5           1HB      ALA   5  -8.438   1.322   2.512
   30    HB2  ALA   5           2HB      ALA   5 -10.099   1.307   1.872
   31    HB3  ALA   5           3HB      ALA   5  -9.379  -0.189   2.515
   32    H    ILE   6           H        ILE   6  -7.448  -1.900   0.753
   33    HA   ILE   6           HA       ILE   6  -4.982  -1.255   1.670
   34    HB   ILE   6           HB       ILE   6  -5.699  -3.391  -0.343
   35   HG12  ILE   6          1HG1      ILE   6  -5.896  -3.258   2.666
   36   HG13  ILE   6          2HG1      ILE   6  -7.144  -3.664   1.506
   37   HG21  ILE   6          1HG2      ILE   6  -3.497  -3.726   1.639
   38   HG22  ILE   6          2HG2      ILE   6  -3.690  -4.403   0.004
   39   HG23  ILE   6          3HG2      ILE   6  -3.188  -2.707   0.211
   40   HD11  ILE   6          3HD1      ILE   6  -4.793  -5.336   2.418
   41   HD12  ILE   6          1HD1      ILE   6  -6.514  -5.778   2.322
   42   HD13  ILE   6          2HD1      ILE   6  -5.544  -5.650   0.836
   43    H    ALA   7           H        ALA   7  -6.157  -1.153  -1.739
   44    HA   ALA   7           HA       ALA   7  -3.829  -0.681  -3.049
   45    HB1  ALA   7           1HB      ALA   7  -6.002  -0.942  -4.141
   46    HB2  ALA   7           2HB      ALA   7  -6.556   0.609  -3.464
   47    HB3  ALA   7           3HB      ALA   7  -5.245   0.581  -4.668
   48    H    GLY   8           H        GLY   8  -5.807   1.633  -1.118
   49    HA2  GLY   8           1HA      GLY   8  -4.315   3.939  -1.758
   50    HA3  GLY   8           2HA      GLY   8  -5.370   3.712  -0.378
   51    H    PHE   9           H        PHE   9  -3.873   1.283   0.598
   52    HA   PHE   9           HA       PHE   9  -1.933   2.723   2.122
   53    HB2  PHE   9           1HB      PHE   9  -3.292   0.055   1.982
   54    HB3  PHE   9           2HB      PHE   9  -1.651  -0.038   2.590
   55    HD1  PHE   9           1HD      PHE   9  -4.860   1.767   3.133
   56    HD2  PHE   9           2HD      PHE   9  -1.219   0.407   4.834
   57    HE1  PHE   9           1HE      PHE   9  -5.664   2.461   5.407
   58    HE2  PHE   9           2HE      PHE   9  -2.022   1.099   7.108
   59    HZ   PHE   9           HZ       PHE   9  -4.235   2.118   7.368
   60    H    ILE  10           H        ILE  10  -1.951   0.728  -0.782
   61    HA   ILE  10           HA       ILE  10   0.633  -0.277  -0.686
   62    HB   ILE  10           HB       ILE  10  -1.061   0.548  -3.047
   63   HG12  ILE  10          1HG1      ILE  10  -0.870  -1.978  -1.411
   64   HG13  ILE  10          2HG1      ILE  10  -2.293  -1.042  -1.822
   65   HG21  ILE  10          1HG2      ILE  10   1.358  -1.276  -2.950
   66   HG22  ILE  10          2HG2      ILE  10   0.325  -0.968  -4.367
   67   HG23  ILE  10          3HG2      ILE  10   1.298   0.350  -3.672
   68   HD11  ILE  10          3HD1      ILE  10  -1.855  -1.619  -4.276
   69   HD12  ILE  10          1HD1      ILE  10  -0.606  -2.749  -3.700
   70   HD13  ILE  10          2HD1      ILE  10  -2.307  -2.995  -3.241
   71    H    GLU  11           H        GLU  11  -0.597   2.985  -1.248
   72    HA   GLU  11           HA       GLU  11   1.577   3.988  -2.629
   73    HB2  GLU  11           1HB      GLU  11  -0.801   5.006  -1.300
   74    HB3  GLU  11           2HB      GLU  11   0.559   6.054  -0.949
   75    HG2  GLU  11           1HG      GLU  11   0.088   5.116  -3.793
   76    HG3  GLU  11           2HG      GLU  11  -0.866   6.436  -3.148
   77    H    ASN  12           H        ASN  12   1.233   2.944   0.677
   78    HA   ASN  12           HA       ASN  12   3.682   4.375   1.349
   79    HB2  ASN  12           1HB      ASN  12   1.493   3.178   3.127
   80    HB3  ASN  12           2HB      ASN  12   2.998   3.814   3.761
   81   HD21  ASN  12          1HD2      ASN  12   0.768   4.858   1.184
   82   HD22  ASN  12          2HD2      ASN  12   0.486   6.462   1.774
   83    H    ALA  13           H        ALA  13   1.918   1.254   1.224
   84    HA   ALA  13           HA       ALA  13   4.002  -0.241   2.484
   85    HB1  ALA  13           1HB      ALA  13   2.378  -2.001   1.043
   86    HB2  ALA  13           2HB      ALA  13   2.156  -1.513   2.740
   87    HB3  ALA  13           3HB      ALA  13   1.292  -0.649   1.446
   88    H    TRP  14           H        TRP  14   3.531   1.183  -0.616
   89    HA   TRP  14           HA       TRP  14   5.290  -0.786  -1.885
   90    HB2  TRP  14           1HB      TRP  14   3.104  -0.145  -2.948
   91    HB3  TRP  14           2HB      TRP  14   3.749   1.470  -3.174
   92    HD1  TRP  14           HD       TRP  14   6.251  -1.343  -3.741
   93    HE1  TRP  14           1HE      TRP  14   6.833  -1.645  -6.297
   94    HE3  TRP  14           3HE      TRP  14   2.595   1.736  -5.476
   95    HZ2  TRP  14           2HZ      TRP  14   5.723  -0.587  -8.704
   96    HZ3  TRP  14           3HZ      TRP  14   2.413   2.047  -7.942
   97    HH2  TRP  14           HH       TRP  14   3.902   0.945  -9.538
   98    H    GLU  15           H        GLU  15   4.829   2.794  -2.262
   99    HA   GLU  15           HA       GLU  15   7.262   3.467  -3.012
  100    HB2  GLU  15           1HB      GLU  15   6.782   5.671  -2.321
  101    HB3  GLU  15           2HB      GLU  15   5.194   4.946  -2.477
  102    HG2  GLU  15           1HG      GLU  15   5.182   4.465  -0.012
  103    HG3  GLU  15           2HG      GLU  15   6.757   5.218   0.135
  104    H    GLY  16           H        GLY  16   6.271   2.771   0.384
  105    HA2  GLY  16           1HA      GLY  16   8.741   3.478   1.574
  106    HA3  GLY  16           2HA      GLY  16   7.471   2.491   2.268
  107    H    MET  17           H        MET  17   7.313   0.340   0.438
  108    HA   MET  17           HA       MET  17   9.477  -1.183   1.320
  109    HB2  MET  17           1HB      MET  17   7.068  -1.509  -0.441
  110    HB3  MET  17           2HB      MET  17   8.365  -2.643  -0.761
  111    HG2  MET  17           1HG      MET  17   8.394  -3.069   1.815
  112    HG3  MET  17           2HG      MET  17   6.858  -2.227   1.854
  113    HE1  MET  17           3HE      MET  17   9.000  -4.882   0.728
  114    HE2  MET  17           1HE      MET  17   7.994  -6.094   1.558
  115    HE3  MET  17           2HE      MET  17   8.041  -6.043  -0.220
  116    H    ILE  18           H        ILE  18   9.303   1.130  -1.154
  117    HA   ILE  18           HA       ILE  18  11.161  -0.265  -2.902
  118    HB   ILE  18           HB       ILE  18   9.790   2.417  -3.123
  119   HG12  ILE  18          1HG1      ILE  18   8.470   0.166  -3.272
  120   HG13  ILE  18          2HG1      ILE  18   8.185   1.439  -4.443
  121   HG21  ILE  18          1HG2      ILE  18  11.878   1.080  -4.782
  122   HG22  ILE  18          2HG2      ILE  18  10.573   1.955  -5.619
  123   HG23  ILE  18          3HG2      ILE  18  11.605   2.806  -4.445
  124   HD11  ILE  18          3HD1      ILE  18   9.123   0.252  -6.177
  125   HD12  ILE  18          1HD1      ILE  18  10.381  -0.462  -5.141
  126   HD13  ILE  18          2HD1      ILE  18   8.735  -1.140  -5.138
  127    H    ASP  19           H        ASP  19  11.029   2.173  -0.347
  128    HA   ASP  19           HA       ASP  19  13.898   2.517  -0.733
  129    HB2  ASP  19           1HB      ASP  19  13.748   4.804  -0.090
  130    HB3  ASP  19           2HB      ASP  19  12.413   4.573  -1.201
  131    H    GLY  20           H        GLY  20  14.066   4.122   1.791
  132    HA2  GLY  20           1HA      GLY  20  13.983   3.919   4.057
  133    HA3  GLY  20           2HA      GLY  20  12.940   2.518   3.908
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1 -14.646  -3.887  -0.005
    2    HA2  GLY   1           1HA      GLY   1 -14.407  -1.629  -0.182
    3    HA3  GLY   1           2HA      GLY   1 -15.056  -1.418   1.432
    4    H    LEU   2           H        LEU   2 -13.124  -3.499   2.563
    5    HA   LEU   2           HA       LEU   2 -11.025  -1.644   3.116
    6    HB2  LEU   2           1HB      LEU   2 -12.218  -3.492   4.584
    7    HB3  LEU   2           2HB      LEU   2 -10.940  -4.508   3.948
    8    HG   LEU   2           HG       LEU   2  -9.485  -2.359   4.773
    9   HD11  LEU   2          1HD1      LEU   2 -11.995  -1.841   5.866
   10   HD12  LEU   2          2HD1      LEU   2 -11.055  -2.530   7.211
   11   HD13  LEU   2          3HD1      LEU   2 -10.445  -1.105   6.338
   12   HD21  LEU   2          3HD2      LEU   2  -9.170  -3.771   6.929
   13   HD22  LEU   2          1HD2      LEU   2 -10.261  -4.928   6.128
   14   HD23  LEU   2          2HD2      LEU   2  -8.726  -4.470   5.353
   15    H    PHE   3           H        PHE   3 -11.287  -4.848   1.441
   16    HA   PHE   3           HA       PHE   3  -8.629  -5.093   0.766
   17    HB2  PHE   3           1HB      PHE   3 -11.008  -6.460   0.408
   18    HB3  PHE   3           2HB      PHE   3 -10.784  -5.845  -1.217
   19    HD1  PHE   3           2HD      PHE   3  -8.406  -7.219   1.319
   20    HD2  PHE   3           1HD      PHE   3 -10.023  -7.525  -2.592
   21    HE1  PHE   3           2HE      PHE   3  -6.835  -9.112   0.818
   22    HE2  PHE   3           1HE      PHE   3  -8.452  -9.418  -3.093
   23    HZ   PHE   3           HZ       PHE   3  -6.878 -10.189  -1.382
   24    H    GLY   4           H        GLY   4 -11.067  -2.884  -0.460
   25    HA2  GLY   4           1HA      GLY   4  -9.632  -2.372  -2.941
   26    HA3  GLY   4           2HA      GLY   4 -11.134  -1.649  -2.402
   27    H    ALA   5           H        ALA   5  -9.759  -1.222   0.384
   28    HA   ALA   5           HA       ALA   5  -8.764   1.399  -0.287
   29    HB1  ALA   5           1HB      ALA   5 -10.331   0.655   1.679
   30    HB2  ALA   5           2HB      ALA   5  -8.811   0.180   2.476
   31    HB3  ALA   5           3HB      ALA   5  -9.068   1.873   1.986
   32    H    ILE   6           H        ILE   6  -7.540  -1.814   0.512
   33    HA   ILE   6           HA       ILE   6  -5.124  -1.304   1.624
   34    HB   ILE   6           HB       ILE   6  -5.774  -3.324  -0.526
   35   HG12  ILE   6          1HG1      ILE   6  -6.176  -3.309   2.465
   36   HG13  ILE   6          2HG1      ILE   6  -7.354  -3.618   1.205
   37   HG21  ILE   6          1HG2      ILE   6  -3.286  -2.769   0.212
   38   HG22  ILE   6          2HG2      ILE   6  -3.723  -3.809   1.588
   39   HG23  ILE   6          3HG2      ILE   6  -3.836  -4.437  -0.074
   40   HD11  ILE   6          3HD1      ILE   6  -6.837  -5.781   2.018
   41   HD12  ILE   6          1HD1      ILE   6  -5.836  -5.645   0.553
   42   HD13  ILE   6          2HD1      ILE   6  -5.101  -5.413   2.157
   43    H    ALA   7           H        ALA   7  -6.052  -1.014  -1.850
   44    HA   ALA   7           HA       ALA   7  -3.621  -0.578  -2.975
   45    HB1  ALA   7           1HB      ALA   7  -6.147   1.007  -3.582
   46    HB2  ALA   7           2HB      ALA   7  -4.825   0.604  -4.704
   47    HB3  ALA   7           3HB      ALA   7  -5.889  -0.681  -4.084
   48    H    GLY   8           H        GLY   8  -5.647   1.728  -1.083
   49    HA2  GLY   8           1HA      GLY   8  -4.032   3.999  -1.517
   50    HA3  GLY   8           2HA      GLY   8  -5.189   3.755  -0.223
   51    H    PHE   9           H        PHE   9  -3.852   1.233   0.744
   52    HA   PHE   9           HA       PHE   9  -1.975   2.530   2.460
   53    HB2  PHE   9           1HB      PHE   9  -3.414  -0.075   2.108
   54    HB3  PHE   9           2HB      PHE   9  -1.824  -0.257   2.824
   55    HD1  PHE   9           1HD      PHE   9  -1.338   0.657   5.030
   56    HD2  PHE   9           2HD      PHE   9  -5.193   1.068   3.305
   57    HE1  PHE   9           1HE      PHE   9  -2.275   1.284   7.272
   58    HE2  PHE   9           2HE      PHE   9  -6.130   1.696   5.547
   59    HZ   PHE   9           HZ       PHE   9  -4.659   1.796   7.504
   60    H    ILE  10           H        ILE  10  -1.858   0.661  -0.523
   61    HA   ILE  10           HA       ILE  10   0.674  -0.446  -0.295
   62    HB   ILE  10           HB       ILE  10  -0.819   0.542  -2.728
   63   HG12  ILE  10          1HG1      ILE  10  -0.834  -2.056  -1.197
   64   HG13  ILE  10          2HG1      ILE  10  -2.190  -1.048  -1.662
   65   HG21  ILE  10          1HG2      ILE  10   1.519  -1.378  -2.548
   66   HG22  ILE  10          2HG2      ILE  10   0.601  -0.969  -4.016
   67   HG23  ILE  10          3HG2      ILE  10   1.571   0.278  -3.196
   68   HD11  ILE  10          3HD1      ILE  10  -2.240  -2.866  -3.202
   69   HD12  ILE  10          1HD1      ILE  10  -1.499  -1.533  -4.120
   70   HD13  ILE  10          2HD1      ILE  10  -0.476  -2.821  -3.439
   71    H    GLU  11           H        GLU  11  -0.396   2.881  -0.796
   72    HA   GLU  11           HA       GLU  11   1.904   3.856  -1.978
   73    HB2  GLU  11           1HB      GLU  11   1.021   6.001  -1.533
   74    HB3  GLU  11           2HB      GLU  11  -0.405   4.985  -1.613
   75    HG2  GLU  11           1HG      GLU  11  -0.302   4.751   0.920
   76    HG3  GLU  11           2HG      GLU  11   1.015   5.908   0.929
   77    H    ASN  12           H        ASN  12   1.292   2.689   1.247
   78    HA   ASN  12           HA       ASN  12   3.737   3.995   2.148
   79    HB2  ASN  12           1HB      ASN  12   1.334   2.874   3.670
   80    HB3  ASN  12           2HB      ASN  12   2.836   3.272   4.482
   81   HD21  ASN  12          1HD2      ASN  12   0.295   4.445   4.937
   82   HD22  ASN  12          2HD2      ASN  12   0.381   6.135   4.568
   83    H    ALA  13           H        ALA  13   1.877   0.952   1.764
   84    HA   ALA  13           HA       ALA  13   3.811  -0.674   3.097
   85    HB1  ALA  13           1HB      ALA  13   1.154  -0.911   2.378
   86    HB2  ALA  13           2HB      ALA  13   1.963  -1.961   1.188
   87    HB3  ALA  13           3HB      ALA  13   2.191  -2.249   2.930
   88    H    TRP  14           H        TRP  14   3.611   0.897   0.037
   89    HA   TRP  14           HA       TRP  14   5.383  -1.084  -1.193
   90    HB2  TRP  14           1HB      TRP  14   3.300  -0.315  -2.375
   91    HB3  TRP  14           2HB      TRP  14   4.017   1.281  -2.484
   92    HD1  TRP  14           HD       TRP  14   6.451  -1.599  -3.002
   93    HE1  TRP  14           1HE      TRP  14   7.200  -1.818  -5.523
   94    HE3  TRP  14           3HE      TRP  14   3.038   1.687  -4.845
   95    HZ2  TRP  14           2HZ      TRP  14   6.301  -0.618  -7.951
   96    HZ3  TRP  14           3HZ      TRP  14   3.041   2.107  -7.303
   97    HH2  TRP  14           HH       TRP  14   4.598   1.016  -8.840
   98    H    GLU  15           H        GLU  15   5.077   2.524  -1.442
   99    HA   GLU  15           HA       GLU  15   7.579   3.132  -1.994
  100    HB2  GLU  15           1HB      GLU  15   5.421   4.597  -1.351
  101    HB3  GLU  15           2HB      GLU  15   6.292   4.802   0.156
  102    HG2  GLU  15           1HG      GLU  15   7.203   6.577  -1.026
  103    HG3  GLU  15           2HG      GLU  15   8.348   5.332  -1.484
  104    H    GLY  16           H        GLY  16   6.380   1.986   1.152
  105    HA2  GLY  16           1HA      GLY  16   8.706   2.690   2.651
  106    HA3  GLY  16           2HA      GLY  16   7.415   1.602   3.124
  107    H    MET  17           H        MET  17   7.439  -0.400   1.205
  108    HA   MET  17           HA       MET  17   9.648  -1.887   2.037
  109    HB2  MET  17           1HB      MET  17   7.169  -2.249   0.562
  110    HB3  MET  17           2HB      MET  17   8.455  -3.001  -0.361
  111    HG2  MET  17           1HG      MET  17   8.442  -3.536   2.598
  112    HG3  MET  17           2HG      MET  17   7.155  -4.274   1.665
  113    HE1  MET  17           3HE      MET  17   8.558  -6.230   2.993
  114    HE2  MET  17           1HE      MET  17   7.753  -6.856   1.535
  115    HE3  MET  17           2HE      MET  17   9.431  -7.326   1.897
  116    H    ILE  18           H        ILE  18   9.422   0.569  -0.289
  117    HA   ILE  18           HA       ILE  18  11.435  -0.635  -2.024
  118    HB   ILE  18           HB       ILE  18   9.791   1.884  -2.278
  119   HG12  ILE  18          1HG1      ILE  18   9.618  -0.707  -3.840
  120   HG13  ILE  18          2HG1      ILE  18   8.571  -0.298  -2.496
  121   HG21  ILE  18          1HG2      ILE  18  11.515   2.543  -3.572
  122   HG22  ILE  18          2HG2      ILE  18  12.145   0.891  -3.773
  123   HG23  ILE  18          3HG2      ILE  18  10.771   1.445  -4.759
  124   HD11  ILE  18          3HD1      ILE  18   7.293   1.060  -3.790
  125   HD12  ILE  18          1HD1      ILE  18   8.723   1.909  -4.425
  126   HD13  ILE  18          2HD1      ILE  18   8.174   0.400  -5.189
  127    H    ASP  19           H        ASP  19  10.947   1.752   0.536
  128    HA   ASP  19           HA       ASP  19  12.274   3.188   1.498
  129    HB2  ASP  19           1HB      ASP  19  13.390   0.731   1.755
  130    HB3  ASP  19           2HB      ASP  19  14.705   1.514   0.902
  131    H    GLY  20           H        GLY  20  11.858   4.030  -1.100
  132    HA2  GLY  20           1HA      GLY  20  14.277   4.357  -2.597
  133    HA3  GLY  20           2HA      GLY  20  12.717   5.095  -2.903
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1 -14.788  -4.122   2.465
    2    HA2  GLY   1           1HA      GLY   1 -14.263  -2.221   0.302
    3    HA3  GLY   1           2HA      GLY   1 -14.874  -1.867   1.906
    4    H    LEU   2           H        LEU   2 -12.780  -3.691   3.186
    5    HA   LEU   2           HA       LEU   2 -10.785  -1.666   3.448
    6    HB2  LEU   2           1HB      LEU   2 -11.812  -3.404   5.157
    7    HB3  LEU   2           2HB      LEU   2 -10.494  -4.409   4.587
    8    HG   LEU   2           HG       LEU   2  -9.032  -2.275   5.122
    9   HD11  LEU   2          1HD1      LEU   2 -10.294  -1.511   7.445
   10   HD12  LEU   2          2HD1      LEU   2 -10.234  -0.575   5.932
   11   HD13  LEU   2          3HD1      LEU   2 -11.638  -1.611   6.283
   12   HD21  LEU   2          3HD2      LEU   2 -10.064  -3.988   7.392
   13   HD22  LEU   2          1HD2      LEU   2  -8.921  -4.562   6.155
   14   HD23  LEU   2          2HD2      LEU   2  -8.466  -3.222   7.234
   15    H    PHE   3           H        PHE   3 -10.899  -5.049   2.149
   16    HA   PHE   3           HA       PHE   3  -8.254  -5.211   1.404
   17    HB2  PHE   3           1HB      PHE   3 -10.552  -6.748   1.290
   18    HB3  PHE   3           2HB      PHE   3 -10.420  -6.308  -0.400
   19    HD1  PHE   3           2HD      PHE   3  -7.218  -6.224  -0.040
   20    HD2  PHE   3           1HD      PHE   3 -10.262  -9.106   0.610
   21    HE1  PHE   3           2HE      PHE   3  -5.548  -8.065  -0.388
   22    HE2  PHE   3           1HE      PHE   3  -8.593 -10.948   0.261
   23    HZ   PHE   3           HZ       PHE   3  -6.256 -10.405  -0.234
   24    H    GLY   4           H        GLY   4 -10.864  -3.302   0.036
   25    HA2  GLY   4           1HA      GLY   4  -9.547  -2.991  -2.541
   26    HA3  GLY   4           2HA      GLY   4 -11.070  -2.296  -2.024
   27    H    ALA   5           H        ALA   5  -9.641  -1.475   0.638
   28    HA   ALA   5           HA       ALA   5  -8.825   1.102  -0.358
   29    HB1  ALA   5           1HB      ALA   5 -10.294   0.816   1.632
   30    HB2  ALA   5           2HB      ALA   5  -8.960  -0.010   2.474
   31    HB3  ALA   5           3HB      ALA   5  -8.798   1.702   2.015
   32    H    ILE   6           H        ILE   6  -7.380  -1.923   0.758
   33    HA   ILE   6           HA       ILE   6  -4.963  -1.155   1.699
   34    HB   ILE   6           HB       ILE   6  -5.563  -3.439  -0.184
   35   HG12  ILE   6          1HG1      ILE   6  -5.860  -3.109   2.802
   36   HG13  ILE   6          2HG1      ILE   6  -7.060  -3.624   1.633
   37   HG21  ILE   6          1HG2      ILE   6  -3.147  -2.953   0.035
   38   HG22  ILE   6          2HG2      ILE   6  -3.293  -3.135   1.800
   39   HG23  ILE   6          3HG2      ILE   6  -3.608  -4.524   0.733
   40   HD11  ILE   6          3HD1      ILE   6  -5.264  -5.571   1.168
   41   HD12  ILE   6          1HD1      ILE   6  -4.783  -5.177   2.836
   42   HD13  ILE   6          2HD1      ILE   6  -6.450  -5.694   2.488
   43    H    ALA   7           H        ALA   7  -6.026  -1.313  -1.745
   44    HA   ALA   7           HA       ALA   7  -3.664  -0.868  -3.007
   45    HB1  ALA   7           1HB      ALA   7  -6.179   0.617  -3.792
   46    HB2  ALA   7           2HB      ALA   7  -4.970  -0.172  -4.834
   47    HB3  ALA   7           3HB      ALA   7  -6.103  -1.160  -3.881
   48    H    GLY   8           H        GLY   8  -5.781   1.525  -1.330
   49    HA2  GLY   8           1HA      GLY   8  -4.309   3.815  -2.072
   50    HA3  GLY   8           2HA      GLY   8  -5.426   3.664  -0.730
   51    H    PHE   9           H        PHE   9  -3.906   1.336   0.470
   52    HA   PHE   9           HA       PHE   9  -2.093   2.932   1.993
   53    HB2  PHE   9           1HB      PHE   9  -3.690   0.678   2.359
   54    HB3  PHE   9           2HB      PHE   9  -2.124  -0.077   2.137
   55    HD1  PHE   9           1HD      PHE   9  -3.881   2.489   4.172
   56    HD2  PHE   9           2HD      PHE   9  -0.613  -0.207   3.917
   57    HE1  PHE   9           1HE      PHE   9  -3.325   2.936   6.578
   58    HE2  PHE   9           2HE      PHE   9  -0.057   0.240   6.324
   59    HZ   PHE   9           HZ       PHE   9  -1.420   1.806   7.625
   60    H    ILE  10           H        ILE  10  -1.902   0.763  -0.778
   61    HA   ILE  10           HA       ILE  10   0.702  -0.144  -0.496
   62    HB   ILE  10           HB       ILE  10  -0.890   0.480  -2.985
   63   HG12  ILE  10          1HG1      ILE  10  -0.719  -1.934  -1.185
   64   HG13  ILE  10          2HG1      ILE  10  -2.143  -1.065  -1.723
   65   HG21  ILE  10          1HG2      ILE  10   1.586  -1.233  -2.635
   66   HG22  ILE  10          2HG2      ILE  10   0.603  -1.109  -4.115
   67   HG23  ILE  10          3HG2      ILE  10   1.481   0.316  -3.507
   68   HD11  ILE  10          3HD1      ILE  10  -1.567  -1.779  -4.111
   69   HD12  ILE  10          1HD1      ILE  10  -0.319  -2.836  -3.406
   70   HD13  ILE  10          2HD1      ILE  10  -2.035  -3.102  -3.016
   71    H    GLU  11           H        GLU  11  -0.591   3.038  -1.274
   72    HA   GLU  11           HA       GLU  11   1.598   4.038  -2.633
   73    HB2  GLU  11           1HB      GLU  11   0.622   6.184  -2.288
   74    HB3  GLU  11           2HB      GLU  11  -0.732   5.073  -2.345
   75    HG2  GLU  11           1HG      GLU  11  -1.372   5.981  -0.358
   76    HG3  GLU  11           2HG      GLU  11  -0.083   5.036   0.360
   77    H    ASN  12           H        ASN  12   1.155   3.176   0.722
   78    HA   ASN  12           HA       ASN  12   3.565   4.676   1.380
   79    HB2  ASN  12           1HB      ASN  12   2.831   4.644   3.703
   80    HB3  ASN  12           2HB      ASN  12   1.456   5.152   2.741
   81   HD21  ASN  12          1HD2      ASN  12   3.014   2.330   4.205
   82   HD22  ASN  12          2HD2      ASN  12   1.577   1.417   4.528
   83    H    ALA  13           H        ALA  13   1.838   1.540   1.368
   84    HA   ALA  13           HA       ALA  13   3.859   0.145   2.827
   85    HB1  ALA  13           1HB      ALA  13   1.913  -1.007   3.075
   86    HB2  ALA  13           2HB      ALA  13   1.246  -0.410   1.536
   87    HB3  ALA  13           3HB      ALA  13   2.391  -1.773   1.540
   88    H    TRP  14           H        TRP  14   3.532   1.364  -0.382
   89    HA   TRP  14           HA       TRP  14   5.377  -0.655  -1.428
   90    HB2  TRP  14           1HB      TRP  14   3.240  -0.109  -2.639
   91    HB3  TRP  14           2HB      TRP  14   3.886   1.493  -2.937
   92    HD1  TRP  14           HD       TRP  14   6.435  -1.322  -3.189
   93    HE1  TRP  14           1HE      TRP  14   7.148  -1.788  -5.687
   94    HE3  TRP  14           3HE      TRP  14   2.848   1.593  -5.309
   95    HZ2  TRP  14           2HZ      TRP  14   6.155  -0.906  -8.212
   96    HZ3  TRP  14           3HZ      TRP  14   2.789   1.736  -7.797
   97    HH2  TRP  14           HH       TRP  14   4.366   0.547  -9.237
   98    H    GLU  15           H        GLU  15   4.900   2.887  -2.060
   99    HA   GLU  15           HA       GLU  15   7.363   3.542  -2.724
  100    HB2  GLU  15           1HB      GLU  15   6.824   5.779  -2.208
  101    HB3  GLU  15           2HB      GLU  15   5.252   5.023  -2.393
  102    HG2  GLU  15           1HG      GLU  15   5.000   6.213  -0.374
  103    HG3  GLU  15           2HG      GLU  15   5.376   4.598   0.192
  104    H    GLY  16           H        GLY  16   6.251   2.755   0.571
  105    HA2  GLY  16           1HA      GLY  16   8.568   3.702   1.929
  106    HA3  GLY  16           2HA      GLY  16   7.337   2.616   2.544
  107    H    MET  17           H        MET  17   7.414   0.390   0.948
  108    HA   MET  17           HA       MET  17   9.748  -0.850   1.851
  109    HB2  MET  17           1HB      MET  17   7.279  -1.533   0.327
  110    HB3  MET  17           2HB      MET  17   8.655  -2.518  -0.129
  111    HG2  MET  17           1HG      MET  17   7.657  -3.717   1.674
  112    HG3  MET  17           2HG      MET  17   9.030  -2.914   2.408
  113    HE1  MET  17           3HE      MET  17   6.077  -3.277   4.800
  114    HE2  MET  17           1HE      MET  17   7.625  -3.904   4.185
  115    HE3  MET  17           2HE      MET  17   7.607  -2.504   5.284
  116    H    ILE  18           H        ILE  18   9.254   1.232  -0.781
  117    HA   ILE  18           HA       ILE  18  11.257  -0.104  -2.432
  118    HB   ILE  18           HB       ILE  18   9.478   2.269  -3.006
  119   HG12  ILE  18          1HG1      ILE  18   8.469  -0.123  -2.685
  120   HG13  ILE  18          2HG1      ILE  18   7.969   0.877  -4.035
  121   HG21  ILE  18          1HG2      ILE  18  11.657   0.920  -4.538
  122   HG22  ILE  18          2HG2      ILE  18  10.221   1.480  -5.427
  123   HG23  ILE  18          3HG2      ILE  18  11.185   2.635  -4.476
  124   HD11  ILE  18          3HD1      ILE  18   9.008  -0.461  -5.598
  125   HD12  ILE  18          1HD1      ILE  18  10.373  -0.839  -4.520
  126   HD13  ILE  18          2HD1      ILE  18   8.822  -1.690  -4.324
  127    H    ASP  19           H        ASP  19  10.694   2.644  -0.272
  128    HA   ASP  19           HA       ASP  19  12.875   4.156  -1.121
  129    HB2  ASP  19           1HB      ASP  19  10.863   4.779   0.426
  130    HB3  ASP  19           2HB      ASP  19  11.799   4.066   1.725
  131    H    GLY  20           H        GLY  20  12.458   1.292   0.909
  132    HA2  GLY  20           1HA      GLY  20  14.716   0.114   1.037
  133    HA3  GLY  20           2HA      GLY  20  15.209   1.529   1.946
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1 -14.016  -4.223   1.102
    2    HA2  GLY   1           1HA      GLY   1 -14.378  -1.880   0.419
    3    HA3  GLY   1           2HA      GLY   1 -14.948  -1.578   2.048
    4    H    LEU   2           H        LEU   2 -12.901  -3.531   3.206
    5    HA   LEU   2           HA       LEU   2 -10.829  -1.592   3.524
    6    HB2  LEU   2           1HB      LEU   2 -11.890  -3.370   5.171
    7    HB3  LEU   2           2HB      LEU   2 -10.619  -4.393   4.531
    8    HG   LEU   2           HG       LEU   2  -9.012  -2.463   5.152
    9   HD11  LEU   2          1HD1      LEU   2 -11.531  -1.620   6.570
   10   HD12  LEU   2          2HD1      LEU   2  -9.925  -1.232   7.234
   11   HD13  LEU   2          3HD1      LEU   2 -10.386  -0.645   5.618
   12   HD21  LEU   2          3HD2      LEU   2  -9.994  -3.537   7.700
   13   HD22  LEU   2          1HD2      LEU   2  -9.782  -4.767   6.431
   14   HD23  LEU   2          2HD2      LEU   2  -8.417  -3.726   6.899
   15    H    PHE   3           H        PHE   3 -11.086  -4.905   2.075
   16    HA   PHE   3           HA       PHE   3  -8.462  -5.125   1.274
   17    HB2  PHE   3           1HB      PHE   3 -10.815  -6.574   1.132
   18    HB3  PHE   3           2HB      PHE   3 -10.697  -6.059  -0.538
   19    HD1  PHE   3           2HD      PHE   3  -8.393  -7.444   2.067
   20    HD2  PHE   3           1HD      PHE   3  -9.716  -7.568  -1.963
   21    HE1  PHE   3           2HE      PHE   3  -6.797  -9.324   1.600
   22    HE2  PHE   3           1HE      PHE   3  -8.122  -9.449  -2.430
   23    HZ   PHE   3           HZ       PHE   3  -6.681 -10.304  -0.642
   24    H    GLY   4           H        GLY   4 -11.024  -3.065   0.042
   25    HA2  GLY   4           1HA      GLY   4  -9.740  -2.681  -2.541
   26    HA3  GLY   4           2HA      GLY   4 -11.227  -1.956  -1.963
   27    H    ALA   5           H        ALA   5  -9.727  -1.309   0.706
   28    HA   ALA   5           HA       ALA   5  -8.833   1.279  -0.187
   29    HB1  ALA   5           1HB      ALA   5  -8.394   1.240   2.495
   30    HB2  ALA   5           2HB      ALA   5  -9.982   1.578   1.765
   31    HB3  ALA   5           3HB      ALA   5  -9.606  -0.057   2.360
   32    H    ILE   6           H        ILE   6  -7.482  -1.845   0.764
   33    HA   ILE   6           HA       ILE   6  -5.021  -1.207   1.692
   34    HB   ILE   6           HB       ILE   6  -5.737  -3.381  -0.280
   35   HG12  ILE   6          1HG1      ILE   6  -5.969  -3.175   2.723
   36   HG13  ILE   6          2HG1      ILE   6  -7.208  -3.594   1.556
   37   HG21  ILE   6          1HG2      ILE   6  -3.288  -2.940  -0.038
   38   HG22  ILE   6          2HG2      ILE   6  -3.445  -3.312   1.696
   39   HG23  ILE   6          3HG2      ILE   6  -3.801  -4.563   0.481
   40   HD11  ILE   6          3HD1      ILE   6  -4.818  -5.267   2.418
   41   HD12  ILE   6          1HD1      ILE   6  -6.547  -5.669   2.548
   42   HD13  ILE   6          2HD1      ILE   6  -5.756  -5.645   0.953
   43    H    ALA   7           H        ALA   7  -6.163  -1.143  -1.726
   44    HA   ALA   7           HA       ALA   7  -3.816  -0.744  -3.029
   45    HB1  ALA   7           1HB      ALA   7  -5.329   0.794  -4.523
   46    HB2  ALA   7           2HB      ALA   7  -5.739  -0.930  -4.350
   47    HB3  ALA   7           3HB      ALA   7  -6.626   0.294  -3.411
   48    H    GLY   8           H        GLY   8  -5.771   1.664  -1.180
   49    HA2  GLY   8           1HA      GLY   8  -4.197   3.910  -1.834
   50    HA3  GLY   8           2HA      GLY   8  -5.290   3.744  -0.475
   51    H    PHE   9           H        PHE   9  -3.867   1.282   0.563
   52    HA   PHE   9           HA       PHE   9  -1.939   2.700   2.121
   53    HB2  PHE   9           1HB      PHE   9  -3.647   0.558   2.464
   54    HB3  PHE   9           2HB      PHE   9  -2.182  -0.317   2.066
   55    HD1  PHE   9           2HD      PHE   9  -3.361   2.399   4.340
   56    HD2  PHE   9           1HD      PHE   9  -0.733  -0.885   3.775
   57    HE1  PHE   9           2HE      PHE   9  -2.590   2.608   6.718
   58    HE2  PHE   9           1HE      PHE   9   0.039  -0.676   6.154
   59    HZ   PHE   9           HZ       PHE   9  -0.899   1.068   7.598
   60    H    ILE  10           H        ILE  10  -1.923   0.678  -0.765
   61    HA   ILE  10           HA       ILE  10   0.638  -0.372  -0.596
   62    HB   ILE  10           HB       ILE  10  -0.978   0.462  -3.007
   63   HG12  ILE  10          1HG1      ILE  10  -0.890  -2.051  -1.341
   64   HG13  ILE  10          2HG1      ILE  10  -2.278  -1.084  -1.797
   65   HG21  ILE  10          1HG2      ILE  10   0.407  -1.158  -4.245
   66   HG22  ILE  10          2HG2      ILE  10   1.356   0.211  -3.618
   67   HG23  ILE  10          3HG2      ILE  10   1.427  -1.370  -2.803
   68   HD11  ILE  10          3HD1      ILE  10  -2.372  -2.981  -3.235
   69   HD12  ILE  10          1HD1      ILE  10  -1.691  -1.690  -4.254
   70   HD13  ILE  10          2HD1      ILE  10  -0.622  -2.928  -3.554
   71    H    GLU  11           H        GLU  11  -0.517   2.905  -1.219
   72    HA   GLU  11           HA       GLU  11   1.707   3.855  -2.555
   73    HB2  GLU  11           1HB      GLU  11   0.804   6.004  -2.183
   74    HB3  GLU  11           2HB      GLU  11  -0.604   4.961  -2.141
   75    HG2  GLU  11           1HG      GLU  11  -0.368   4.864   0.396
   76    HG3  GLU  11           2HG      GLU  11   0.912   6.053   0.274
   77    H    ASN  12           H        ASN  12   1.265   2.849   0.751
   78    HA   ASN  12           HA       ASN  12   3.722   4.242   1.468
   79    HB2  ASN  12           1HB      ASN  12   1.239   3.492   2.973
   80    HB3  ASN  12           2HB      ASN  12   2.735   3.267   3.858
   81   HD21  ASN  12          1HD2      ASN  12   0.513   5.183   4.172
   82   HD22  ASN  12          2HD2      ASN  12   1.212   6.768   4.159
   83    H    ALA  13           H        ALA  13   1.906   1.153   1.330
   84    HA   ALA  13           HA       ALA  13   3.930  -0.368   2.654
   85    HB1  ALA  13           1HB      ALA  13   1.247  -0.688   2.067
   86    HB2  ALA  13           2HB      ALA  13   2.025  -1.788   0.905
   87    HB3  ALA  13           3HB      ALA  13   2.332  -1.973   2.648
   88    H    TRP  14           H        TRP  14   3.560   1.034  -0.471
   89    HA   TRP  14           HA       TRP  14   5.313  -0.978  -1.678
   90    HB2  TRP  14           1HB      TRP  14   3.164  -0.308  -2.799
   91    HB3  TRP  14           2HB      TRP  14   3.845   1.291  -3.024
   92    HD1  TRP  14           HD       TRP  14   6.308  -1.570  -3.504
   93    HE1  TRP  14           1HE      TRP  14   6.945  -1.908  -6.042
   94    HE3  TRP  14           3HE      TRP  14   2.751   1.557  -5.356
   95    HZ2  TRP  14           2HZ      TRP  14   5.913  -0.854  -8.485
   96    HZ3  TRP  14           3HZ      TRP  14   2.634   1.847  -7.830
   97    HH2  TRP  14           HH       TRP  14   4.140   0.702  -9.377
   98    H    GLU  15           H        GLU  15   4.926   2.606  -2.100
   99    HA   GLU  15           HA       GLU  15   7.389   3.227  -2.796
  100    HB2  GLU  15           1HB      GLU  15   5.609   4.751  -0.847
  101    HB3  GLU  15           2HB      GLU  15   7.031   5.448  -1.595
  102    HG2  GLU  15           1HG      GLU  15   5.402   4.178  -3.642
  103    HG3  GLU  15           2HG      GLU  15   4.396   5.252  -2.692
  104    H    GLY  16           H        GLY  16   6.346   2.269   0.473
  105    HA2  GLY  16           1HA      GLY  16   8.590   3.120   1.923
  106    HA3  GLY  16           2HA      GLY  16   7.492   1.826   2.355
  107    H    MET  17           H        MET  17   7.791  -0.162   0.556
  108    HA   MET  17           HA       MET  17  10.305  -1.187   1.226
  109    HB2  MET  17           1HB      MET  17   9.558  -3.125  -0.157
  110    HB3  MET  17           2HB      MET  17   8.243  -2.567   0.857
  111    HG2  MET  17           1HG      MET  17   7.037  -1.677  -0.941
  112    HG3  MET  17           2HG      MET  17   8.475  -1.339  -1.885
  113    HE1  MET  17           3HE      MET  17   9.428  -4.056  -3.783
  114    HE2  MET  17           1HE      MET  17  10.049  -2.964  -2.521
  115    HE3  MET  17           2HE      MET  17   9.912  -4.709  -2.199
  116    H    ILE  18           H        ILE  18   9.409   1.065  -1.147
  117    HA   ILE  18           HA       ILE  18  11.339   0.139  -3.106
  118    HB   ILE  18           HB       ILE  18   9.410   2.459  -3.051
  119   HG12  ILE  18          1HG1      ILE  18   9.391  -0.097  -4.682
  120   HG13  ILE  18          2HG1      ILE  18   8.417   0.186  -3.254
  121   HG21  ILE  18          1HG2      ILE  18  10.432   3.390  -4.786
  122   HG22  ILE  18          2HG2      ILE  18  11.786   2.264  -4.532
  123   HG23  ILE  18          3HG2      ILE  18  10.477   1.841  -5.661
  124   HD11  ILE  18          3HD1      ILE  18   7.824   0.932  -5.943
  125   HD12  ILE  18          1HD1      ILE  18   6.873   1.291  -4.483
  126   HD13  ILE  18          2HD1      ILE  18   8.108   2.443  -5.047
  127    H    ASP  19           H        ASP  19  10.947   2.487  -0.475
  128    HA   ASP  19           HA       ASP  19  13.745   3.124  -0.823
  129    HB2  ASP  19           1HB      ASP  19  11.477   4.992  -1.161
  130    HB3  ASP  19           2HB      ASP  19  12.622   5.548   0.043
  131    H    GLY  20           H        GLY  20  13.838   1.651   1.100
  132    HA2  GLY  20           1HA      GLY  20  12.366   1.956   3.433
  133    HA3  GLY  20           2HA      GLY  20  13.966   1.255   3.307
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1 -14.602  -4.067   0.691
    2    HA2  GLY   1           1HA      GLY   1 -14.354  -1.830   0.411
    3    HA3  GLY   1           2HA      GLY   1 -14.918  -1.557   2.048
    4    H    LEU   2           H        LEU   2 -12.883  -3.548   3.160
    5    HA   LEU   2           HA       LEU   2 -10.795  -1.631   3.508
    6    HB2  LEU   2           1HB      LEU   2 -11.865  -3.431   5.125
    7    HB3  LEU   2           2HB      LEU   2 -10.605  -4.452   4.464
    8    HG   LEU   2           HG       LEU   2  -9.240  -2.127   5.130
    9   HD11  LEU   2          1HD1      LEU   2  -9.924  -1.887   7.596
   10   HD12  LEU   2          2HD1      LEU   2 -10.924  -1.080   6.363
   11   HD13  LEU   2          3HD1      LEU   2 -11.474  -2.607   7.094
   12   HD21  LEU   2          3HD2      LEU   2  -9.558  -4.833   6.381
   13   HD22  LEU   2          1HD2      LEU   2  -8.160  -4.119   5.542
   14   HD23  LEU   2          2HD2      LEU   2  -8.574  -3.592   7.192
   15    H    PHE   3           H        PHE   3 -11.084  -4.915   1.999
   16    HA   PHE   3           HA       PHE   3  -8.464  -5.143   1.186
   17    HB2  PHE   3           1HB      PHE   3 -10.830  -6.568   1.025
   18    HB3  PHE   3           2HB      PHE   3 -10.711  -6.024  -0.636
   19    HD1  PHE   3           1HD      PHE   3  -7.965  -7.028   1.667
   20    HD2  PHE   3           2HD      PHE   3 -10.196  -7.963  -1.820
   21    HE1  PHE   3           1HE      PHE   3  -6.387  -8.913   1.163
   22    HE2  PHE   3           2HE      PHE   3  -8.617  -9.849  -2.323
   23    HZ   PHE   3           HZ       PHE   3  -6.732 -10.302  -0.826
   24    H    GLY   4           H        GLY   4 -11.011  -3.038   0.000
   25    HA2  GLY   4           1HA      GLY   4  -9.730  -2.618  -2.580
   26    HA3  GLY   4           2HA      GLY   4 -11.210  -1.891  -1.984
   27    H    ALA   5           H        ALA   5  -9.697  -1.306   0.692
   28    HA   ALA   5           HA       ALA   5  -8.782   1.291  -0.155
   29    HB1  ALA   5           1HB      ALA   5  -9.769  -0.007   2.267
   30    HB2  ALA   5           2HB      ALA   5  -8.313   0.962   2.594
   31    HB3  ALA   5           3HB      ALA   5  -9.735   1.720   1.839
   32    H    ILE   6           H        ILE   6  -7.455  -1.862   0.734
   33    HA   ILE   6           HA       ILE   6  -4.988  -1.264   1.667
   34    HB   ILE   6           HB       ILE   6  -5.728  -3.394  -0.342
   35   HG12  ILE   6          1HG1      ILE   6  -5.951  -3.242   2.664
   36   HG13  ILE   6          2HG1      ILE   6  -7.196  -3.629   1.493
   37   HG21  ILE   6          1HG2      ILE   6  -3.739  -4.430   0.006
   38   HG22  ILE   6          2HG2      ILE   6  -3.206  -2.750   0.255
   39   HG23  ILE   6          3HG2      ILE   6  -3.559  -3.788   1.657
   40   HD11  ILE   6          3HD1      ILE   6  -4.791  -5.337   2.258
   41   HD12  ILE   6          1HD1      ILE   6  -6.514  -5.714   2.497
   42   HD13  ILE   6          2HD1      ILE   6  -5.827  -5.695   0.856
   43    H    ALA   7           H        ALA   7  -6.128  -1.144  -1.752
   44    HA   ALA   7           HA       ALA   7  -3.776  -0.730  -3.042
   45    HB1  ALA   7           1HB      ALA   7  -5.800  -0.937  -4.281
   46    HB2  ALA   7           2HB      ALA   7  -6.545   0.446  -3.442
   47    HB3  ALA   7           3HB      ALA   7  -5.217   0.714  -4.597
   48    H    GLY   8           H        GLY   8  -5.736   1.646  -1.162
   49    HA2  GLY   8           1HA      GLY   8  -4.170   3.907  -1.788
   50    HA3  GLY   8           2HA      GLY   8  -5.263   3.720  -0.431
   51    H    PHE   9           H        PHE   9  -3.835   1.249   0.576
   52    HA   PHE   9           HA       PHE   9  -1.912   2.652   2.155
   53    HB2  PHE   9           1HB      PHE   9  -3.606   0.619   2.627
   54    HB3  PHE   9           2HB      PHE   9  -2.321  -0.371   1.966
   55    HD1  PHE   9           1HD      PHE   9  -3.042   2.106   4.637
   56    HD2  PHE   9           2HD      PHE   9  -0.530  -1.048   3.313
   57    HE1  PHE   9           1HE      PHE   9  -1.926   2.051   6.885
   58    HE2  PHE   9           2HE      PHE   9   0.587  -1.102   5.561
   59    HZ   PHE   9           HZ       PHE   9  -0.125   0.448   7.319
   60    H    ILE  10           H        ILE  10  -1.888   0.666  -0.756
   61    HA   ILE  10           HA       ILE  10   0.675  -0.379  -0.600
   62    HB   ILE  10           HB       ILE  10  -0.940   0.481  -3.002
   63   HG12  ILE  10          1HG1      ILE  10  -0.848  -2.052  -1.367
   64   HG13  ILE  10          2HG1      ILE  10  -2.239  -1.083  -1.813
   65   HG21  ILE  10          1HG2      ILE  10   0.449  -1.097  -4.270
   66   HG22  ILE  10          2HG2      ILE  10   1.409   0.239  -3.592
   67   HG23  ILE  10          3HG2      ILE  10   1.456  -1.368  -2.828
   68   HD11  ILE  10          3HD1      ILE  10  -1.834  -1.678  -4.233
   69   HD12  ILE  10          1HD1      ILE  10  -0.519  -2.755  -3.702
   70   HD13  ILE  10          2HD1      ILE  10  -2.197  -3.087  -3.208
   71    H    GLU  11           H        GLU  11  -0.487   2.903  -1.182
   72    HA   GLU  11           HA       GLU  11   1.736   3.875  -2.504
   73    HB2  GLU  11           1HB      GLU  11  -0.343   5.170  -0.709
   74    HB3  GLU  11           2HB      GLU  11   0.942   6.114  -1.436
   75    HG2  GLU  11           1HG      GLU  11   0.188   5.678  -3.652
   76    HG3  GLU  11           2HG      GLU  11  -0.743   4.276  -3.164
   77    H    ASN  12           H        ASN  12   1.294   2.826   0.789
   78    HA   ASN  12           HA       ASN  12   3.746   4.215   1.526
   79    HB2  ASN  12           1HB      ASN  12   1.558   2.996   3.292
   80    HB3  ASN  12           2HB      ASN  12   3.016   3.750   3.907
   81   HD21  ASN  12          1HD2      ASN  12   0.453   4.421   1.519
   82   HD22  ASN  12          2HD2      ASN  12   0.168   6.071   1.962
   83    H    ALA  13           H        ALA  13   1.938   1.123   1.346
   84    HA   ALA  13           HA       ALA  13   3.964  -0.409   2.653
   85    HB1  ALA  13           1HB      ALA  13   1.258  -0.725   1.772
   86    HB2  ALA  13           2HB      ALA  13   2.232  -2.007   1.014
   87    HB3  ALA  13           3HB      ALA  13   2.227  -1.824   2.784
   88    H    TRP  14           H        TRP  14   3.594   1.032  -0.454
   89    HA   TRP  14           HA       TRP  14   5.352  -0.961  -1.684
   90    HB2  TRP  14           1HB      TRP  14   3.203  -0.281  -2.800
   91    HB3  TRP  14           2HB      TRP  14   3.880   1.323  -3.004
   92    HD1  TRP  14           HD       TRP  14   6.351  -1.527  -3.518
   93    HE1  TRP  14           1HE      TRP  14   6.990  -1.832  -6.060
   94    HE3  TRP  14           3HE      TRP  14   2.788   1.614  -5.333
   95    HZ2  TRP  14           2HZ      TRP  14   5.958  -0.749  -8.490
   96    HZ3  TRP  14           3HZ      TRP  14   2.672   1.934  -7.802
   97    HH2  TRP  14           HH       TRP  14   4.183   0.815  -9.363
   98    H    GLU  15           H        GLU  15   4.958   2.627  -2.062
   99    HA   GLU  15           HA       GLU  15   7.419   3.263  -2.748
  100    HB2  GLU  15           1HB      GLU  15   5.693   4.950  -2.557
  101    HB3  GLU  15           2HB      GLU  15   5.581   4.737  -0.821
  102    HG2  GLU  15           1HG      GLU  15   8.303   5.431  -1.847
  103    HG3  GLU  15           2HG      GLU  15   7.092   6.684  -2.034
  104    H    GLY  16           H        GLY  16   6.334   2.559   0.615
  105    HA2  GLY  16           1HA      GLY  16   8.659   3.283   1.972
  106    HA3  GLY  16           2HA      GLY  16   7.483   2.091   2.488
  107    H    MET  17           H        MET  17   7.640   0.054   0.637
  108    HA   MET  17           HA       MET  17  10.075  -1.137   1.389
  109    HB2  MET  17           1HB      MET  17   8.237  -2.634   1.160
  110    HB3  MET  17           2HB      MET  17   7.669  -1.868  -0.311
  111    HG2  MET  17           1HG      MET  17   8.654  -4.051  -0.864
  112    HG3  MET  17           2HG      MET  17   9.648  -2.783  -1.550
  113    HE1  MET  17           3HE      MET  17  10.314  -6.179   0.383
  114    HE2  MET  17           1HE      MET  17  10.398  -5.462   2.011
  115    HE3  MET  17           2HE      MET  17   8.939  -5.239   1.014
  116    H    ILE  18           H        ILE  18   9.230   1.009  -1.144
  117    HA   ILE  18           HA       ILE  18  11.176  -0.086  -2.999
  118    HB   ILE  18           HB       ILE  18   9.325   2.295  -3.186
  119   HG12  ILE  18          1HG1      ILE  18   8.376  -0.120  -3.086
  120   HG13  ILE  18          2HG1      ILE  18   7.811   0.978  -4.329
  121   HG21  ILE  18          1HG2      ILE  18  10.972   2.874  -4.677
  122   HG22  ILE  18          2HG2      ILE  18  11.404   1.185  -5.036
  123   HG23  ILE  18          3HG2      ILE  18   9.915   1.885  -5.715
  124   HD11  ILE  18          3HD1      ILE  18   8.842  -0.185  -6.035
  125   HD12  ILE  18          1HD1      ILE  18  10.230  -0.646  -5.021
  126   HD13  ILE  18          2HD1      ILE  18   8.691  -1.528  -4.876
  127    H    ASP  19           H        ASP  19  10.786   2.427  -0.539
  128    HA   ASP  19           HA       ASP  19  13.560   3.125  -1.037
  129    HB2  ASP  19           1HB      ASP  19  11.166   4.916  -0.995
  130    HB3  ASP  19           2HB      ASP  19  12.538   5.494  -0.071
  131    H    GLY  20           H        GLY  20  14.159   1.852   0.839
  132    HA2  GLY  20           1HA      GLY  20  12.990   1.489   3.209
  133    HA3  GLY  20           2HA      GLY  20  14.716   1.741   3.040
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1 -14.126  -4.211   1.003
    2    HA2  GLY   1           1HA      GLY   1 -14.458  -1.869   0.321
    3    HA3  GLY   1           2HA      GLY   1 -15.040  -1.557   1.944
    4    H    LEU   2           H        LEU   2 -13.014  -3.517   3.128
    5    HA   LEU   2           HA       LEU   2 -10.933  -1.591   3.454
    6    HB2  LEU   2           1HB      LEU   2 -12.019  -3.354   5.099
    7    HB3  LEU   2           2HB      LEU   2 -10.749  -4.388   4.476
    8    HG   LEU   2           HG       LEU   2  -9.166  -2.398   5.090
    9   HD11  LEU   2          1HD1      LEU   2 -10.855  -1.750   7.374
   10   HD12  LEU   2          2HD1      LEU   2  -9.941  -0.684   6.281
   11   HD13  LEU   2          3HD1      LEU   2 -11.571  -1.233   5.829
   12   HD21  LEU   2          3HD2      LEU   2  -9.060  -3.289   7.479
   13   HD22  LEU   2          1HD2      LEU   2 -10.420  -4.345   7.026
   14   HD23  LEU   2          2HD2      LEU   2  -8.869  -4.469   6.160
   15    H    PHE   3           H        PHE   3 -11.200  -4.909   2.018
   16    HA   PHE   3           HA       PHE   3  -8.571  -5.150   1.240
   17    HB2  PHE   3           1HB      PHE   3 -10.931  -6.584   1.086
   18    HB3  PHE   3           2HB      PHE   3 -10.795  -6.079  -0.586
   19    HD1  PHE   3           1HD      PHE   3  -8.230  -7.184   1.896
   20    HD2  PHE   3           2HD      PHE   3 -10.106  -7.882  -1.846
   21    HE1  PHE   3           1HE      PHE   3  -6.643  -9.076   1.454
   22    HE2  PHE   3           2HE      PHE   3  -8.518  -9.775  -2.288
   23    HZ   PHE   3           HZ       PHE   3  -6.806 -10.350  -0.633
   24    H    GLY   4           H        GLY   4 -11.108  -3.079  -0.023
   25    HA2  GLY   4           1HA      GLY   4  -9.800  -2.715  -2.597
   26    HA3  GLY   4           2HA      GLY   4 -11.289  -1.979  -2.036
   27    H    ALA   5           H        ALA   5  -9.805  -1.330   0.643
   28    HA   ALA   5           HA       ALA   5  -8.889   1.250  -0.254
   29    HB1  ALA   5           1HB      ALA   5  -9.073   1.869   2.004
   30    HB2  ALA   5           2HB      ALA   5 -10.348   0.641   1.823
   31    HB3  ALA   5           3HB      ALA   5  -8.797   0.208   2.583
   32    H    ILE   6           H        ILE   6  -7.564  -1.877   0.723
   33    HA   ILE   6           HA       ILE   6  -5.109  -1.251   1.671
   34    HB   ILE   6           HB       ILE   6  -5.820  -3.428  -0.299
   35   HG12  ILE   6          1HG1      ILE   6  -6.078  -3.208   2.701
   36   HG13  ILE   6          2HG1      ILE   6  -7.309  -3.625   1.525
   37   HG21  ILE   6          1HG2      ILE   6  -3.681  -3.793   1.731
   38   HG22  ILE   6          2HG2      ILE   6  -3.827  -4.438   0.078
   39   HG23  ILE   6          3HG2      ILE   6  -3.305  -2.755   0.336
   40   HD11  ILE   6          3HD1      ILE   6  -5.727  -5.656   0.944
   41   HD12  ILE   6          1HD1      ILE   6  -5.008  -5.313   2.536
   42   HD13  ILE   6          2HD1      ILE   6  -6.735  -5.728   2.410
   43    H    ALA   7           H        ALA   7  -6.205  -1.221  -1.766
   44    HA   ALA   7           HA       ALA   7  -3.837  -0.824  -3.033
   45    HB1  ALA   7           1HB      ALA   7  -5.467   0.821  -4.447
   46    HB2  ALA   7           2HB      ALA   7  -5.570  -0.955  -4.520
   47    HB3  ALA   7           3HB      ALA   7  -6.681  -0.042  -3.472
   48    H    GLY   8           H        GLY   8  -5.838   1.586  -1.239
   49    HA2  GLY   8           1HA      GLY   8  -4.275   3.840  -1.901
   50    HA3  GLY   8           2HA      GLY   8  -5.387   3.681  -0.554
   51    H    PHE   9           H        PHE   9  -3.958   1.243   0.532
   52    HA   PHE   9           HA       PHE   9  -2.065   2.696   2.102
   53    HB2  PHE   9           1HB      PHE   9  -3.761   0.626   2.548
   54    HB3  PHE   9           2HB      PHE   9  -2.393  -0.332   2.014
   55    HD1  PHE   9           1HD      PHE   9  -2.516   2.739   4.130
   56    HD2  PHE   9           2HD      PHE   9  -1.543  -1.384   3.891
   57    HE1  PHE   9           1HE      PHE   9  -1.547   2.834   6.443
   58    HE2  PHE   9           2HE      PHE   9  -0.574  -1.290   6.204
   59    HZ   PHE   9           HZ       PHE   9  -0.587   0.817   7.452
   60    H    ILE  10           H        ILE  10  -1.990   0.640  -0.758
   61    HA   ILE  10           HA       ILE  10   0.576  -0.387  -0.540
   62    HB   ILE  10           HB       ILE  10  -1.010   0.404  -2.985
   63   HG12  ILE  10          1HG1      ILE  10  -0.926  -2.087  -1.285
   64   HG13  ILE  10          2HG1      ILE  10  -2.316  -1.138  -1.774
   65   HG21  ILE  10          1HG2      ILE  10   1.383  -1.440  -2.739
   66   HG22  ILE  10          2HG2      ILE  10   0.404  -1.180  -4.202
   67   HG23  ILE  10          3HG2      ILE  10   1.359   0.159  -3.521
   68   HD11  ILE  10          3HD1      ILE  10  -1.856  -1.787  -4.178
   69   HD12  ILE  10          1HD1      ILE  10  -0.566  -2.860  -3.586
   70   HD13  ILE  10          2HD1      ILE  10  -2.258  -3.165  -3.125
   71    H    GLU  11           H        GLU  11  -0.596   2.872  -1.220
   72    HA   GLU  11           HA       GLU  11   1.640   3.824  -2.536
   73    HB2  GLU  11           1HB      GLU  11   0.713   5.970  -2.205
   74    HB3  GLU  11           2HB      GLU  11  -0.687   4.915  -2.168
   75    HG2  GLU  11           1HG      GLU  11  -0.506   4.858   0.366
   76    HG3  GLU  11           2HG      GLU  11   0.791   6.032   0.261
   77    H    ASN  12           H        ASN  12   1.158   2.857   0.777
   78    HA   ASN  12           HA       ASN  12   3.592   4.278   1.512
   79    HB2  ASN  12           1HB      ASN  12   1.294   3.171   3.202
   80    HB3  ASN  12           2HB      ASN  12   2.796   3.729   3.912
   81   HD21  ASN  12          1HD2      ASN  12   3.524   5.922   2.764
   82   HD22  ASN  12          2HD2      ASN  12   2.333   7.179   2.809
   83    H    ALA  13           H        ALA  13   1.804   1.172   1.385
   84    HA   ALA  13           HA       ALA  13   3.820  -0.315   2.757
   85    HB1  ALA  13           1HB      ALA  13   1.904  -1.715   0.974
   86    HB2  ALA  13           2HB      ALA  13   2.271  -1.982   2.695
   87    HB3  ALA  13           3HB      ALA  13   1.164  -0.674   2.214
   88    H    TRP  14           H        TRP  14   3.485   1.046  -0.389
   89    HA   TRP  14           HA       TRP  14   5.271  -0.966  -1.545
   90    HB2  TRP  14           1HB      TRP  14   3.134  -0.328  -2.706
   91    HB3  TRP  14           2HB      TRP  14   3.804   1.274  -2.941
   92    HD1  TRP  14           HD       TRP  14   6.298  -1.573  -3.350
   93    HE1  TRP  14           1HE      TRP  14   6.975  -1.936  -5.875
   94    HE3  TRP  14           3HE      TRP  14   2.744   1.501  -5.292
   95    HZ2  TRP  14           2HZ      TRP  14   5.970  -0.921  -8.345
   96    HZ3  TRP  14           3HZ      TRP  14   2.661   1.759  -7.770
   97    HH2  TRP  14           HH       TRP  14   4.198   0.609  -9.282
   98    H    GLU  15           H        GLU  15   4.862   2.609  -2.018
   99    HA   GLU  15           HA       GLU  15   7.328   3.241  -2.686
  100    HB2  GLU  15           1HB      GLU  15   5.355   4.803  -2.384
  101    HB3  GLU  15           2HB      GLU  15   5.713   4.860  -0.669
  102    HG2  GLU  15           1HG      GLU  15   7.702   6.066  -0.974
  103    HG3  GLU  15           2HG      GLU  15   7.961   5.446  -2.593
  104    H    GLY  16           H        GLY  16   6.246   2.321   0.582
  105    HA2  GLY  16           1HA      GLY  16   8.469   3.205   2.047
  106    HA3  GLY  16           2HA      GLY  16   7.366   1.917   2.488
  107    H    MET  17           H        MET  17   7.688  -0.120   0.776
  108    HA   MET  17           HA       MET  17  10.198  -1.118   1.478
  109    HB2  MET  17           1HB      MET  17   9.471  -3.066   0.038
  110    HB3  MET  17           2HB      MET  17   8.216  -2.564   1.153
  111    HG2  MET  17           1HG      MET  17   6.886  -1.618  -0.540
  112    HG3  MET  17           2HG      MET  17   8.254  -1.290  -1.585
  113    HE1  MET  17           3HE      MET  17   6.832  -5.085  -0.072
  114    HE2  MET  17           1HE      MET  17   5.934  -3.549  -0.002
  115    HE3  MET  17           2HE      MET  17   5.543  -4.754  -1.253
  116    H    ILE  18           H        ILE  18   9.322   1.078  -0.954
  117    HA   ILE  18           HA       ILE  18  11.268   0.112  -2.876
  118    HB   ILE  18           HB       ILE  18   9.331   2.425  -2.871
  119   HG12  ILE  18          1HG1      ILE  18   8.613  -0.079  -3.141
  120   HG13  ILE  18          2HG1      ILE  18   7.943   1.158  -4.187
  121   HG21  ILE  18          1HG2      ILE  18   9.997   2.533  -5.348
  122   HG22  ILE  18          2HG2      ILE  18  11.105   3.248  -4.152
  123   HG23  ILE  18          3HG2      ILE  18  11.464   1.654  -4.857
  124   HD11  ILE  18          3HD1      ILE  18  10.398  -0.500  -4.919
  125   HD12  ILE  18          1HD1      ILE  18   8.738  -0.921  -5.403
  126   HD13  ILE  18          2HD1      ILE  18   9.479   0.589  -5.987
  127    H    ASP  19           H        ASP  19  10.829   2.591  -0.354
  128    HA   ASP  19           HA       ASP  19  13.429   3.663  -1.075
  129    HB2  ASP  19           1HB      ASP  19  11.031   4.687   0.426
  130    HB3  ASP  19           2HB      ASP  19  12.597   5.288   0.933
  131    H    GLY  20           H        GLY  20  14.669   4.434   1.117
  132    HA2  GLY  20           1HA      GLY  20  15.718   3.847   3.016
  133    HA3  GLY  20           2HA      GLY  20  14.242   3.050   3.521