*HEADER    NEUROPEPTIDE                            04-OCT-02   1MYU              
*TITLE     LIPID INDUCED CONFORMATION OF THE TACHYKININ PEPTIDE                  
*TITLE    2 KASSININ                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KASSININ;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*SOURCE   4 THIS SEQUENCE OCCURS NATURALLY IN THE SKIN OF THE AFRICAN            
*SOURCE   5 FROG, KASSINA SENEGALENSIS.                                          
*KEYWDS    HELICAL CORE, 3-10 HELIX, LIPID INDUCED CONFORMATION, DPC             
*KEYWDS   2 MICELLES                                                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    R.C.GRACE, A.M.LYNN, S.M.COWSIK                                       
*REVDAT   1   16-OCT-02 1MYU    0                                                

  1 ASP 
         HA      1 ASP  HB2     4.00
         HA      1 ASP  HB3     4.00
  2 VAL
  HN  1 ASP HA 3.50
  HN  1 ASP  HB2 4.00
  HN  1 ASP  HB3 4.00
  HN  4 LYS  HN      4.50
  HN  2 VAL  HB 4.00
  HN  2 VAL  QG1 4.50
   HN  2 VAL QG2 3.50
  HA  2 VAL  HB 3.50
  HA  2 VAL  QG1 4.50
  HA  2 VAL  QG2 4.50
  HA  4 LYS  HN 4.50
  3 PRO  
  HA  3 PRO  HD2 4.00
  HA  3 PRO  HD3 4.00
  HA  3 PRO  HB2 3.50
  HA  3 PRO  HB3 3.50
  HA  3 PRO  QG 4.00
  HB2  3 PRO  QG 3.50
  HD2  3 PRO  HB2 4.50
  HD2  3 PRO  HB3 4.00
  HD2  3 PRO  QG 4.00
  HD2  2 VAL  HB 4.50
  HD3  3 PRO  HB2 4.50
  HD3  3 PRO  HB3 4.00
  HD3  3 PRO  QG 3.50
  HD3  2 VAL  HB 4.50
  4 LYS
  HN  3 PRO  HB2 4.50
  HN  3 PRO HA 3.50
  HN  4 LYS  QB 3.50
  HN  4 LYS  QD 4.00
  HN  4 LYS  QG 4.50
  HN  6 ASP  HN  4.50
  HA  4 LYS  QB 3.00
  HA  4 LYS  QD 4.50
  QB  4 LYS  QD 3.50
  QD  4 LYS  QG 3.50
  HN  4 LYS  QG 3.50
  HN  5 SER  HN 3.00
  5 SER
  HN  5 SER  HB2 3.50
  HN  5 SER  HB3 3.50
  HN  4 LYS  HA 3.50
  HN  6 ASP  HN 3.00
  HN  7 GLN  HN 4.50
  HN  6 ASP  QB 4.50
  HA  5 SER  HB2 3.00
  HA  5 SER  HB3 3.00
  6 ASP
  HN  5 SER  HB2 4.00
  HN  5 SER  HB3 4.00
  HN  5 SER  HA 3.50
  HN  6 ASP  QB 4.00
  HN  7 GLN  HN 3.00
  HN  3 PRO QG 4.00
  HN  8 PHE HN 4.50
  QB  3 PRO  HD2 4.50
  7 GLN
  HN  4 LYS  HA 4.50
  HN  6 ASP  QB 4.00
  HN  7 GLN  QB 3.50
  HN  7 GLN QG 4.00
  HA  7 GLN  QB 3.00
  HA  7 GLN  QG 3.50
  QB  7 GLN  QG 3.50
  QG  7 GLN  QE2 4.50
  HN  8 PHE HN 3.00
  8 PHE 
  HN  7 GLN  QB 4.00
  HN  7 GLN  HA 3.50
  HN  8 PHE  HB2 3.50
  HN  8 PHE  HB3 3.50
  HN  9 VAL  HN 3.50
  HA  8 PHE  HB2 4.00
  HA  8 PHE  HB3 4.00
  HB2  8 PHE  QR 3.50
  HB3  8 PHE  QR 3.50
   HN  5 SER  HA 4.50
  9 VAL
  HN  6 ASP  HA 4.50
  HN  7 GLN  HA 4.50
  HN  8 PHE  HB2 4.00
  HN  8 PHE  HB3 4.00
  HN  9 VAL  HB 3.50
  HN  9 VAL  QQG 3.50
  HN 10 GLY  HN 3.00
  HA  9 VAL  HB 3.00
  HA  9 VAL  QQG 4.00
  HB  9 VAL  QQG 3.00
  HN 11 LEU  HN 4.50
 10 GLY
  HN  7 GLN HA 4.50
  HN  9 VAL  HA 3.50
  HN  9 VAL HB 4.00
  HN  9 VAL  QQG 4.50
  HN 11 LEU HN 3.50
 11 LEU
  HN 10 GLY QA 4.00
  HN 11 LEU  QB 4.00
  HN 11 LEU  HG 4.00
  HN 12 MET HN 3.50
  HN 11 LEU QD1 4.00
  HN 11 LEU QD2 4.00
  HA 11 LEU  QB 3.50
  QB 11 LEU HG 3.50
  QB 11 LEU  QD1 3.50
  QB 11 LEU  QD2 3.50
  HG 11 LEU  QD1 3.50
  HG 11 LEU QD2 3.50
 12 MET
  HN  9 VAL  HA 4.50
  HN 11 LEU HA 3.50
  HN 11 LEU  QB 4.00
  HN 11 LEU HG 4.50
   HN 11 LEU QD2 4.50
  HN 12 MET QB 3.50
  HN 12 MET  QG 4.50
  HN 12 MET QE 4.50
  HA 12 MET  QB 3.50
  HA 12 MET  QG 4.00
  QB 12 MET QG 4.50
  QG 12 MET QE 4.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   1.682   0.843  -1.815
    3   1HB   ASP   1          2HB       ASP   1   3.709   0.574   0.015
    4   2HB   ASP   1          3HB       ASP   1   4.042  -0.813  -1.002
    5    HD2  ASP   1           HD2      ASP   1   5.983   1.578  -2.663
    6    H    VAL   2           HN       VAL   2   3.391  -0.921  -3.278
    7    HA   VAL   2           HA       VAL   2   1.589  -2.858  -4.151
    8    HB   VAL   2           HB       VAL   2   3.460  -3.656  -5.500
    9   1HG1  VAL   2          1HG1      VAL   2   2.191  -1.593  -6.122
   10   2HG1  VAL   2          2HG1      VAL   2   3.466  -0.624  -5.346
   11   3HG1  VAL   2          3HG1      VAL   2   3.853  -1.634  -6.759
   12   1HG2  VAL   2          1HG2      VAL   2   5.165  -1.745  -3.865
   13   2HG2  VAL   2          2HG2      VAL   2   5.237  -3.523  -3.808
   14   3HG2  VAL   2          3HG2      VAL   2   5.695  -2.661  -5.296
   15    HA   PRO   3           HA       PRO   3   2.332  -6.178  -1.489
   16   1HB   PRO   3          2HB       PRO   3   1.744  -8.328  -3.070
   17   2HB   PRO   3          3HB       PRO   3   0.518  -7.342  -2.299
   18   1HG   PRO   3          2HG       PRO   3   1.340  -7.392  -5.138
   19   2HG   PRO   3          3HG       PRO   3  -0.131  -6.751  -4.432
   20   1HD   PRO   3          2HD       PRO   3   2.131  -5.244  -5.349
   21   2HD   PRO   3          3HD       PRO   3   0.711  -4.615  -4.537
   22    H    LYS   4           HN       LYS   4   3.771  -7.768  -0.728
   23    HA   LYS   4           HA       LYS   4   6.337  -7.439  -1.813
   24   1HB   LYS   4          2HB       LYS   4   5.282  -9.524   0.122
   25   2HB   LYS   4          3HB       LYS   4   6.973  -9.186  -0.186
   26   1HG   LYS   4          2HG       LYS   4   4.986  -7.083   0.792
   27   2HG   LYS   4          3HG       LYS   4   6.009  -8.021   1.864
   28   1HD   LYS   4          2HD       LYS   4   8.031  -7.159   0.572
   29   2HD   LYS   4          3HD       LYS   4   6.950  -6.113  -0.327
   30   1HE   LYS   4          2HE       LYS   4   7.208  -4.580   1.330
   31   2HE   LYS   4          3HE       LYS   4   6.238  -5.627   2.349
   32   1HZ   LYS   4          1HZ       LYS   4   8.861  -6.636   2.312
   33   2HZ   LYS   4          2HZ       LYS   4   8.963  -5.042   2.629
   34    H    SER   5           HN       SER   5   3.646  -9.542  -2.602
   35    HA   SER   5           HA       SER   5   5.195 -11.579  -3.760
   36   1HB   SER   5          2HB       SER   5   2.322 -10.831  -3.591
   37   2HB   SER   5          3HB       SER   5   2.748 -11.729  -5.034
   38    HG   SER   5           HG       SER   5   3.819 -12.723  -2.606
   39    H    ASP   6           HN       ASP   6   4.399  -8.341  -4.684
   40    HA   ASP   6           HA       ASP   6   4.385  -8.813  -7.478
   41   1HB   ASP   6          2HB       ASP   6   3.218  -6.878  -6.466
   42   2HB   ASP   6          3HB       ASP   6   4.730  -6.269  -5.824
   43    HD2  ASP   6           HD2      ASP   6   5.789  -4.837  -8.688
   44    H    GLN   7           HN       GLN   7   6.711  -7.864  -4.914
   45    HA   GLN   7           HA       GLN   7   8.740  -7.110  -6.729
   46   1HB   GLN   7          2HB       GLN   7   8.293  -7.058  -3.881
   47   2HB   GLN   7          3HB       GLN   7   9.839  -7.830  -4.170
   48   1HG   GLN   7          2HG       GLN   7  10.361  -5.860  -5.771
   49   2HG   GLN   7          3HG       GLN   7   8.946  -5.071  -5.103
   50   1HE2  GLN   7          1HE2      GLN   7  12.191  -5.324  -4.884
   51   2HE2  GLN   7          2HE2      GLN   7  12.471  -4.840  -3.245
   52    H    PHE   8           HN       PHE   8   7.520 -10.128  -5.477
   53    HA   PHE   8           HA       PHE   8   9.987 -11.553  -5.810
   54   1HB   PHE   8          2HB       PHE   8   7.145 -11.966  -4.942
   55   2HB   PHE   8          3HB       PHE   8   7.844 -13.370  -5.725
   56    HD1  PHE   8           HD1      PHE   8   7.388 -11.778  -2.658
   57    HD2  PHE   8           HD2      PHE   8  10.281 -13.996  -4.831
   58    HE1  PHE   8           HE1      PHE   8   8.514 -12.417  -0.508
   59    HE2  PHE   8           HE2      PHE   8  11.406 -14.635  -2.680
   60    HZ   PHE   8           HZ       PHE   8  10.509 -13.838  -0.544
   61    H    VAL   9           HN       VAL   9   6.896 -11.092  -7.609
   62    HA   VAL   9           HA       VAL   9   7.696 -12.952  -9.646
   63    HB   VAL   9           HB       VAL   9   5.607 -12.127 -10.738
   64   1HG1  VAL   9          1HG1      VAL   9   5.892 -13.953  -8.809
   65   2HG1  VAL   9          2HG1      VAL   9   4.831 -12.820  -7.938
   66   3HG1  VAL   9          3HG1      VAL   9   4.302 -13.526  -9.484
   67   1HG2  VAL   9          1HG2      VAL   9   4.664 -10.204 -10.125
   68   2HG2  VAL   9          2HG2      VAL   9   4.415 -10.836  -8.480
   69   3HG2  VAL   9          3HG2      VAL   9   5.923  -9.982  -8.886
   70    H    GLY  10           HN       GLY  10   8.056  -9.530  -8.918
   71   1HA   GLY  10          1HA       GLY  10   8.291  -8.363 -11.387
   72   2HA   GLY  10          2HA       GLY  10   9.222  -7.918  -9.971
   73    H    LEU  11           HN       LEU  11  10.922 -10.007  -9.479
   74    HA   LEU  11           HA       LEU  11  12.705  -9.801 -11.721
   75   1HB   LEU  11          2HB       LEU  11  14.307 -10.864 -10.257
   76   2HB   LEU  11          3HB       LEU  11  13.530  -9.502  -9.474
   77    HG   LEU  11           HG       LEU  11  11.968 -11.259  -8.392
   78   1HD1  LEU  11          1HD1      LEU  11  12.248 -13.393  -8.917
   79   2HD1  LEU  11          2HD1      LEU  11  13.613 -12.976  -9.980
   80   3HD1  LEU  11          3HD1      LEU  11  13.901 -13.334  -8.260
   81   1HD2  LEU  11          1HD2      LEU  11  13.190 -11.040  -6.516
   82   2HD2  LEU  11          2HD2      LEU  11  14.673 -11.667  -7.275
   83   3HD2  LEU  11          3HD2      LEU  11  14.193  -9.972  -7.528
   84    H    MET  12           HN       MET  12  10.879 -12.394  -9.984
   85    HA   MET  12           HA       MET  12  11.863 -14.479 -11.502
   86   1HB   MET  12          2HB       MET  12  10.409 -14.437  -9.315
   87   2HB   MET  12          3HB       MET  12   9.023 -14.299 -10.378
   88   1HG   MET  12          2HG       MET  12   9.039 -16.569 -10.535
   89   2HG   MET  12          3HG       MET  12  10.492 -16.418 -11.503
   90   1HE   MET  12          1HE       MET  12  13.366 -17.226  -9.393
   91   2HE   MET  12          2HE       MET  12  12.700 -16.328 -10.778
   92   3HE   MET  12          3HE       MET  12  12.888 -15.522  -9.202
  Start of MODEL    2
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   2.140   1.047  -1.540
    3   1HB   ASP   1          2HB       ASP   1   3.380  -1.682  -1.003
    4   2HB   ASP   1          3HB       ASP   1   4.073  -0.364  -1.926
    5    HD2  ASP   1           HD2      ASP   1   5.748  -0.810   1.032
    6    H    VAL   2           HN       VAL   2   2.413  -0.006  -3.815
    7    HA   VAL   2           HA       VAL   2   0.031  -1.508  -4.385
    8    HB   VAL   2           HB       VAL   2   0.726  -1.185  -6.715
    9   1HG1  VAL   2          1HG1      VAL   2   0.559   1.124  -4.806
   10   2HG1  VAL   2          2HG1      VAL   2   0.886   1.444  -6.526
   11   3HG1  VAL   2          3HG1      VAL   2  -0.596   0.583  -6.047
   12   1HG2  VAL   2          1HG2      VAL   2   2.774  -0.498  -7.393
   13   2HG2  VAL   2          2HG2      VAL   2   2.974   0.616  -6.019
   14   3HG2  VAL   2          3HG2      VAL   2   3.286  -1.123  -5.807
   15    HA   PRO   3           HA       PRO   3   1.897  -5.398  -4.612
   16   1HB   PRO   3          2HB       PRO   3   0.333  -6.685  -6.447
   17   2HB   PRO   3          3HB       PRO   3  -0.140  -6.459  -4.774
   18   1HG   PRO   3          2HG       PRO   3  -1.111  -5.045  -7.182
   19   2HG   PRO   3          3HG       PRO   3  -1.848  -5.145  -5.595
   20   1HD   PRO   3          2HD       PRO   3  -0.414  -2.912  -6.684
   21   2HD   PRO   3          3HD       PRO   3  -1.050  -3.056  -5.058
   22    H    LYS   4           HN       LYS   4   3.421  -6.733  -5.614
   23    HA   LYS   4           HA       LYS   4   4.869  -5.383  -7.600
   24   1HB   LYS   4          2HB       LYS   4   6.377  -7.185  -7.481
   25   2HB   LYS   4          3HB       LYS   4   5.726  -7.021  -5.863
   26   1HG   LYS   4          2HG       LYS   4   4.491  -8.938  -7.879
   27   2HG   LYS   4          3HG       LYS   4   5.850  -9.415  -6.882
   28   1HD   LYS   4          2HD       LYS   4   4.404  -8.569  -4.863
   29   2HD   LYS   4          3HD       LYS   4   3.058  -8.615  -5.984
   30   1HE   LYS   4          2HE       LYS   4   3.646 -11.043  -6.488
   31   2HE   LYS   4          3HE       LYS   4   4.857 -10.964  -5.224
   32   1HZ   LYS   4          1HZ       LYS   4   2.046 -10.244  -4.654
   33   2HZ   LYS   4          2HZ       LYS   4   2.540 -11.794  -4.579
   34    H    SER   5           HN       SER   5   2.110  -7.544  -7.690
   35    HA   SER   5           HA       SER   5   2.556  -8.477 -10.302
   36   1HB   SER   5          2HB       SER   5   0.301  -8.505  -8.325
   37   2HB   SER   5          3HB       SER   5  -0.127  -8.766 -10.004
   38    HG   SER   5           HG       SER   5   1.850 -10.371  -9.839
   39    H    ASP   6           HN       ASP   6   1.561  -5.445  -8.968
   40    HA   ASP   6           HA       ASP   6  -0.125  -4.705 -11.125
   41   1HB   ASP   6          2HB       ASP   6  -0.376  -3.715  -8.871
   42   2HB   ASP   6          3HB       ASP   6   1.256  -3.080  -8.939
   43    HD2  ASP   6           HD2      ASP   6  -1.980  -1.789  -9.735
   44    H    GLN   7           HN       GLN   7   3.299  -4.276 -10.091
   45    HA   GLN   7           HA       GLN   7   3.923  -2.381 -12.062
   46   1HB   GLN   7          2HB       GLN   7   5.358  -3.957 -10.002
   47   2HB   GLN   7          3HB       GLN   7   6.333  -3.592 -11.411
   48   1HG   GLN   7          2HG       GLN   7   4.879  -1.201 -10.761
   49   2HG   GLN   7          3HG       GLN   7   5.534  -1.822  -9.259
   50   1HE2  GLN   7          1HE2      GLN   7   7.702  -1.874  -8.898
   51   2HE2  GLN   7          2HE2      GLN   7   8.884  -1.135  -9.926
   52    H    PHE   8           HN       PHE   8   3.380  -5.802 -12.129
   53    HA   PHE   8           HA       PHE   8   5.121  -6.315 -14.349
   54   1HB   PHE   8          2HB       PHE   8   3.197  -7.706 -12.515
   55   2HB   PHE   8          3HB       PHE   8   3.224  -8.378 -14.134
   56    HD1  PHE   8           HD1      PHE   8   4.383 -10.374 -14.035
   57    HD2  PHE   8           HD2      PHE   8   5.970  -6.996 -12.014
   58    HE1  PHE   8           HE1      PHE   8   6.441 -11.688 -13.454
   59    HE2  PHE   8           HE2      PHE   8   8.028  -8.311 -11.434
   60    HZ   PHE   8           HZ       PHE   8   8.239 -10.641 -12.160
   61    H    VAL   9           HN       VAL   9   1.606  -5.755 -13.777
   62    HA   VAL   9           HA       VAL   9   0.989  -6.200 -16.547
   63    HB   VAL   9           HB       VAL   9  -1.274  -5.440 -15.810
   64   1HG1  VAL   9          1HG1      VAL   9   0.010  -7.845 -15.408
   65   2HG1  VAL   9          2HG1      VAL   9  -0.660  -7.492 -13.797
   66   3HG1  VAL   9          3HG1      VAL   9  -1.736  -7.558 -15.213
   67   1HG2  VAL   9          1HG2      VAL   9  -0.314  -3.981 -13.932
   68   2HG2  VAL   9          2HG2      VAL   9  -1.772  -4.932 -13.561
   69   3HG2  VAL   9          3HG2      VAL   9  -0.179  -5.486 -12.992
   70    H    GLY  10           HN       GLY  10   1.988  -3.545 -14.465
   71   1HA   GLY  10          1HA       GLY  10   0.952  -1.312 -15.602
   72   2HA   GLY  10          2HA       GLY  10   2.596  -1.440 -15.008
   73    H    LEU  11           HN       LEU  11   3.789  -3.233 -16.812
   74    HA   LEU  11           HA       LEU  11   4.038  -1.510 -19.096
   75   1HB   LEU  11          2HB       LEU  11   5.883  -2.952 -19.699
   76   2HB   LEU  11          3HB       LEU  11   6.004  -2.420 -18.034
   77    HG   LEU  11           HG       LEU  11   4.935  -4.698 -17.429
   78   1HD1  LEU  11          1HD1      LEU  11   4.937  -4.922 -20.262
   79   2HD1  LEU  11          2HD1      LEU  11   6.100  -6.108 -19.624
   80   3HD1  LEU  11          3HD1      LEU  11   4.415  -6.116 -19.050
   81   1HD2  LEU  11          1HD2      LEU  11   7.402  -3.856 -17.248
   82   2HD2  LEU  11          2HD2      LEU  11   7.027  -5.583 -17.033
   83   3HD2  LEU  11          3HD2      LEU  11   7.690  -5.002 -18.579
   84    H    MET  12           HN       MET  12   2.927  -4.879 -18.395
   85    HA   MET  12           HA       MET  12   2.212  -5.257 -21.124
   86   1HB   MET  12          2HB       MET  12   2.390  -6.819 -18.622
   87   2HB   MET  12          3HB       MET  12   0.932  -7.219 -19.507
   88   1HG   MET  12          2HG       MET  12   2.255  -7.707 -21.545
   89   2HG   MET  12          3HG       MET  12   3.728  -7.196 -20.745
   90   1HE   MET  12          1HE       MET  12   3.999  -8.185 -18.079
   91   2HE   MET  12          2HE       MET  12   4.468  -9.900 -18.167
   92   3HE   MET  12          3HE       MET  12   5.187  -8.721 -19.291
  Start of MODEL    3
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   1.959   1.006  -1.649
    3   1HB   ASP   1          2HB       ASP   1   3.677  -0.599   0.045
    4   2HB   ASP   1          3HB       ASP   1   3.820  -1.191  -1.598
    5    HD2  ASP   1           HD2      ASP   1   4.080   0.941  -3.153
    6    H    VAL   2           HN       VAL   2  -0.128  -1.336  -0.951
    7    HA   VAL   2           HA       VAL   2   0.443  -3.391  -2.807
    8    HB   VAL   2           HB       VAL   2  -1.869  -4.064  -2.368
    9   1HG1  VAL   2          1HG1      VAL   2   0.037  -4.544  -0.769
   10   2HG1  VAL   2          2HG1      VAL   2  -0.562  -3.195   0.225
   11   3HG1  VAL   2          3HG1      VAL   2  -1.596  -4.615  -0.064
   12   1HG2  VAL   2          1HG2      VAL   2  -2.171  -1.684  -0.533
   13   2HG2  VAL   2          2HG2      VAL   2  -2.684  -1.619  -2.237
   14   3HG2  VAL   2          3HG2      VAL   2  -3.417  -2.806  -1.131
   15    HA   PRO   3           HA       PRO   3  -0.998  -1.593  -6.461
   16   1HB   PRO   3          2HB       PRO   3  -1.836  -3.768  -7.887
   17   2HB   PRO   3          3HB       PRO   3  -0.151  -3.310  -7.739
   18   1HG   PRO   3          2HG       PRO   3  -1.594  -5.519  -6.407
   19   2HG   PRO   3          3HG       PRO   3   0.133  -5.301  -6.611
   20   1HD   PRO   3          2HD       PRO   3  -1.382  -4.853  -4.217
   21   2HD   PRO   3          3HD       PRO   3   0.323  -4.525  -4.455
   22    H    LYS   4           HN       LYS   4  -2.844  -1.261  -8.019
   23    HA   LYS   4           HA       LYS   4  -5.168  -0.951  -6.363
   24   1HB   LYS   4          2HB       LYS   4  -6.060   0.307  -8.220
   25   2HB   LYS   4          3HB       LYS   4  -4.410   0.811  -7.914
   26   1HG   LYS   4          2HG       LYS   4  -4.433   0.567 -10.258
   27   2HG   LYS   4          3HG       LYS   4  -3.745  -0.957  -9.732
   28   1HD   LYS   4          2HD       LYS   4  -5.599  -2.179 -10.363
   29   2HD   LYS   4          3HD       LYS   4  -6.725  -0.923  -9.887
   30   1HE   LYS   4          2HE       LYS   4  -5.070  -0.045 -12.149
   31   2HE   LYS   4          3HE       LYS   4  -5.896  -1.545 -12.521
   32   1HZ   LYS   4          1HZ       LYS   4  -7.188   0.956 -11.574
   33   2HZ   LYS   4          2HZ       LYS   4  -7.337   0.295 -13.055
   34    H    SER   5           HN       SER   5  -3.880  -3.294  -8.616
   35    HA   SER   5           HA       SER   5  -6.361  -4.313  -9.449
   36   1HB   SER   5          2HB       SER   5  -3.566  -4.817  -9.933
   37   2HB   SER   5          3HB       SER   5  -4.319  -6.345  -9.522
   38    HG   SER   5           HG       SER   5  -4.338  -5.472 -11.881
   39    H    ASP   6           HN       ASP   6  -4.593  -4.443  -6.485
   40    HA   ASP   6           HA       ASP   6  -5.461  -7.031  -5.721
   41   1HB   ASP   6          2HB       ASP   6  -3.402  -6.022  -4.795
   42   2HB   ASP   6          3HB       ASP   6  -4.321  -4.686  -4.132
   43    HD2  ASP   6           HD2      ASP   6  -5.491  -8.095  -2.652
   44    H    GLN   7           HN       GLN   7  -6.440  -3.597  -5.247
   45    HA   GLN   7           HA       GLN   7  -8.367  -4.147  -3.286
   46   1HB   GLN   7          2HB       GLN   7  -7.444  -1.827  -4.862
   47   2HB   GLN   7          3HB       GLN   7  -9.162  -1.771  -4.521
   48   1HG   GLN   7          2HG       GLN   7  -8.531  -0.893  -2.507
   49   2HG   GLN   7          3HG       GLN   7  -8.188  -2.554  -2.064
   50   1HE2  GLN   7          1HE2      GLN   7  -6.994   0.441  -1.981
   51   2HE2  GLN   7          2HE2      GLN   7  -5.286   0.156  -2.021
   52    H    PHE   8           HN       PHE   8  -8.248  -4.642  -6.715
   53    HA   PHE   8           HA       PHE   8 -11.076  -4.396  -7.127
   54   1HB   PHE   8          2HB       PHE   8  -8.541  -5.007  -8.608
   55   2HB   PHE   8          3HB       PHE   8  -9.934  -5.869  -9.230
   56    HD1  PHE   8           HD1      PHE   8 -10.654  -4.855 -11.168
   57    HD2  PHE   8           HD2      PHE   8  -9.510  -2.401  -7.900
   58    HE1  PHE   8           HE1      PHE   8 -11.338  -2.815 -12.460
   59    HE2  PHE   8           HE2      PHE   8 -10.194  -0.361  -9.193
   60    HZ   PHE   8           HZ       PHE   8 -11.100  -0.592 -11.457
   61    H    VAL   9           HN       VAL   9  -8.659  -7.028  -6.650
   62    HA   VAL   9           HA       VAL   9 -10.656  -9.058  -7.023
   63    HB   VAL   9           HB       VAL   9  -8.778 -10.551  -6.331
   64   1HG1  VAL   9          1HG1      VAL   9  -8.449  -8.588  -8.607
   65   2HG1  VAL   9          2HG1      VAL   9  -7.323  -9.945  -8.360
   66   3HG1  VAL   9          3HG1      VAL   9  -9.050 -10.263  -8.654
   67   1HG2  VAL   9          1HG2      VAL   9  -6.867  -8.264  -6.555
   68   2HG2  VAL   9          2HG2      VAL   9  -7.720  -8.493  -5.010
   69   3HG2  VAL   9          3HG2      VAL   9  -6.716  -9.803  -5.674
   70    H    GLY  10           HN       GLY  10  -9.367  -7.082  -4.414
   71   1HA   GLY  10          1HA       GLY  10  -9.708  -8.607  -2.177
   72   2HA   GLY  10          2HA       GLY  10 -10.028  -6.887  -2.269
   73    H    LEU  11           HN       LEU  11 -12.259  -6.574  -3.799
   74    HA   LEU  11           HA       LEU  11 -14.273  -7.717  -2.100
   75   1HB   LEU  11          2HB       LEU  11 -15.781  -6.237  -3.274
   76   2HB   LEU  11          3HB       LEU  11 -14.364  -5.382  -2.698
   77    HG   LEU  11           HG       LEU  11 -13.437  -5.696  -5.094
   78   1HD1  LEU  11          1HD1      LEU  11 -15.902  -7.073  -5.372
   79   2HD1  LEU  11          2HD1      LEU  11 -16.001  -5.593  -6.357
   80   3HD1  LEU  11          3HD1      LEU  11 -14.667  -6.743  -6.610
   81   1HD2  LEU  11          1HD2      LEU  11 -14.114  -3.574  -5.615
   82   2HD2  LEU  11          2HD2      LEU  11 -15.793  -3.856  -5.094
   83   3HD2  LEU  11          3HD2      LEU  11 -14.514  -3.611  -3.881
   84    H    MET  12           HN       MET  12 -13.303  -7.875  -5.580
   85    HA   MET  12           HA       MET  12 -15.371  -9.601  -6.291
   86   1HB   MET  12          2HB       MET  12 -13.825  -8.172  -7.796
   87   2HB   MET  12          3HB       MET  12 -12.584  -9.385  -7.551
   88   1HG   MET  12          2HG       MET  12 -13.556 -10.841  -9.024
   89   2HG   MET  12          3HG       MET  12 -15.155 -10.591  -8.354
   90   1HE   MET  12          1HE       MET  12 -16.510  -7.506 -10.028
   91   2HE   MET  12          2HE       MET  12 -16.315  -8.384  -8.491
   92   3HE   MET  12          3HE       MET  12 -15.213  -7.046  -8.899
  Start of MODEL    4
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   2.038   1.030  -1.601
    3   1HB   ASP   1          2HB       ASP   1   3.539  -1.531  -0.924
    4   2HB   ASP   1          3HB       ASP   1   4.104  -0.192  -1.903
    5    HD2  ASP   1           HD2      ASP   1   4.498   1.998  -0.107
    6    H    VAL   2           HN       VAL   2   2.102   0.110  -3.834
    7    HA   VAL   2           HA       VAL   2   0.198  -2.078  -4.112
    8    HB   VAL   2           HB       VAL   2   0.160  -1.327  -6.485
    9   1HG1  VAL   2          1HG1      VAL   2  -0.449   1.202  -5.150
   10   2HG1  VAL   2          2HG1      VAL   2  -1.534   0.036  -5.944
   11   3HG1  VAL   2          3HG1      VAL   2  -1.051  -0.209  -4.248
   12   1HG2  VAL   2          1HG2      VAL   2   1.394   1.276  -5.929
   13   2HG2  VAL   2          2HG2      VAL   2   2.551  -0.076  -5.882
   14   3HG2  VAL   2          3HG2      VAL   2   1.565   0.202  -7.338
   15    HA   PRO   3           HA       PRO   3   3.251  -4.848  -5.403
   16   1HB   PRO   3          2HB       PRO   3   1.852  -6.524  -7.047
   17   2HB   PRO   3          3HB       PRO   3   1.796  -6.630  -5.299
   18   1HG   PRO   3          2HG       PRO   3  -0.240  -5.563  -7.158
   19   2HG   PRO   3          3HG       PRO   3  -0.432  -6.066  -5.490
   20   1HD   PRO   3          2HD       PRO   3  -0.286  -3.372  -6.464
   21   2HD   PRO   3          3HD       PRO   3  -0.362  -3.878  -4.788
   22    H    LYS   4           HN       LYS   4   4.897  -5.230  -6.854
   23    HA   LYS   4           HA       LYS   4   5.089  -3.322  -8.883
   24   1HB   LYS   4          2HB       LYS   4   6.639  -5.881  -8.394
   25   2HB   LYS   4          3HB       LYS   4   7.089  -4.663  -9.570
   26   1HG   LYS   4          2HG       LYS   4   6.659  -4.011  -6.621
   27   2HG   LYS   4          3HG       LYS   4   8.218  -4.490  -7.261
   28   1HD   LYS   4          2HD       LYS   4   7.226  -2.456  -9.013
   29   2HD   LYS   4          3HD       LYS   4   6.919  -1.890  -7.384
   30   1HE   LYS   4          2HE       LYS   4   9.607  -3.113  -7.746
   31   2HE   LYS   4          3HE       LYS   4   9.348  -1.673  -8.709
   32   1HZ   LYS   4          1HZ       LYS   4   9.228  -1.917  -5.770
   33   2HZ   LYS   4          2HZ       LYS   4  10.089  -0.858  -6.659
   34    H    SER   5           HN       SER   5   3.535  -6.463  -8.725
   35    HA   SER   5           HA       SER   5   3.624  -6.968 -11.487
   36   1HB   SER   5          2HB       SER   5   2.583  -8.227  -9.096
   37   2HB   SER   5          3HB       SER   5   1.326  -8.222 -10.318
   38    HG   SER   5           HG       SER   5   3.413  -8.948 -11.705
   39    H    ASP   6           HN       ASP   6   1.855  -4.754  -9.499
   40    HA   ASP   6           HA       ASP   6  -0.480  -4.707 -11.105
   41   1HB   ASP   6          2HB       ASP   6  -0.518  -4.045  -8.720
   42   2HB   ASP   6          3HB       ASP   6   0.634  -2.761  -9.031
   43    HD2  ASP   6           HD2      ASP   6  -2.560  -3.710  -9.253
   44    H    GLN   7           HN       GLN   7   2.450  -2.620 -10.573
   45    HA   GLN   7           HA       GLN   7   1.732  -0.665 -12.402
   46   1HB   GLN   7          2HB       GLN   7   3.969  -1.288 -10.694
   47   2HB   GLN   7          3HB       GLN   7   4.598  -0.888 -12.280
   48   1HG   GLN   7          2HG       GLN   7   2.881   1.138 -12.146
   49   2HG   GLN   7          3HG       GLN   7   2.924   0.823 -10.423
   50   1HE2  GLN   7          1HE2      GLN   7   4.254   2.086  -9.394
   51   2HE2  GLN   7          2HE2      GLN   7   5.801   2.654  -9.929
   52    H    PHE   8           HN       PHE   8   2.770  -3.934 -12.846
   53    HA   PHE   8           HA       PHE   8   4.019  -3.492 -15.390
   54   1HB   PHE   8          2HB       PHE   8   3.367  -5.689 -13.454
   55   2HB   PHE   8          3HB       PHE   8   3.329  -6.204 -15.129
   56    HD1  PHE   8           HD1      PHE   8   5.253  -7.321 -15.700
   57    HD2  PHE   8           HD2      PHE   8   5.562  -3.924 -13.176
   58    HE1  PHE   8           HE1      PHE   8   7.752  -7.561 -15.682
   59    HE2  PHE   8           HE2      PHE   8   8.060  -4.164 -13.158
   60    HZ   PHE   8           HZ       PHE   8   9.125  -5.980 -14.411
   61    H    VAL   9           HN       VAL   9   0.841  -4.637 -14.130
   62    HA   VAL   9           HA       VAL   9  -0.112  -5.203 -16.780
   63    HB   VAL   9           HB       VAL   9  -2.252  -5.603 -15.554
   64   1HG1  VAL   9          1HG1      VAL   9   0.318  -7.021 -15.054
   65   2HG1  VAL   9          2HG1      VAL   9  -1.065  -7.478 -14.032
   66   3HG1  VAL   9          3HG1      VAL   9  -1.188  -7.600 -15.803
   67   1HG2  VAL   9          1HG2      VAL   9  -1.549  -3.936 -13.682
   68   2HG2  VAL   9          2HG2      VAL   9  -2.461  -5.400 -13.242
   69   3HG2  VAL   9          3HG2      VAL   9  -0.701  -5.337 -12.984
   70    H    GLY  10           HN       GLY  10   0.049  -2.474 -14.568
   71   1HA   GLY  10          1HA       GLY  10  -2.103  -0.934 -15.212
   72   2HA   GLY  10          2HA       GLY  10  -0.498  -0.310 -14.888
   73    H    LEU  11           HN       LEU  11   1.052  -1.091 -17.022
   74    HA   LEU  11           HA       LEU  11   0.207   0.687 -19.026
   75   1HB   LEU  11          2HB       LEU  11   2.193  -0.101 -20.224
   76   2HB   LEU  11          3HB       LEU  11   2.523   0.367 -18.568
   77    HG   LEU  11           HG       LEU  11   2.334  -2.155 -18.019
   78   1HD1  LEU  11          1HD1      LEU  11   1.965  -3.621 -19.642
   79   2HD1  LEU  11          2HD1      LEU  11   1.709  -2.264 -20.765
   80   3HD1  LEU  11          3HD1      LEU  11   3.329  -2.981 -20.591
   81   1HD2  LEU  11          1HD2      LEU  11   4.484  -1.677 -17.699
   82   2HD2  LEU  11          2HD2      LEU  11   4.769  -2.280 -19.349
   83   3HD2  LEU  11          3HD2      LEU  11   4.518  -0.541 -19.069
   84    H    MET  12           HN       MET  12   0.304  -2.926 -18.820
   85    HA   MET  12           HA       MET  12  -1.130  -3.010 -21.330
   86   1HB   MET  12          2HB       MET  12  -0.666  -5.472 -21.169
   87   2HB   MET  12          3HB       MET  12   0.808  -4.543 -20.986
   88   1HG   MET  12          2HG       MET  12   0.758  -4.803 -18.552
   89   2HG   MET  12          3HG       MET  12  -0.842  -5.514 -18.607
   90   1HE   MET  12          1HE       MET  12   2.658  -5.715 -18.637
   91   2HE   MET  12          2HE       MET  12   3.078  -7.443 -18.719
   92   3HE   MET  12          3HE       MET  12   2.979  -6.480 -20.213
  Start of MODEL    5
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   1.750   0.897  -1.774
    3   1HB   ASP   1          2HB       ASP   1   3.784  -0.476  -0.045
    4   2HB   ASP   1          3HB       ASP   1   4.086  -0.517  -1.770
    5    HD2  ASP   1           HD2      ASP   1   3.261   2.944  -1.574
    6    H    VAL   2           HN       VAL   2   3.046  -0.729  -3.534
    7    HA   VAL   2           HA       VAL   2   1.140  -2.638  -4.244
    8    HB   VAL   2           HB       VAL   2   2.835  -3.312  -5.919
    9   1HG1  VAL   2          1HG1      VAL   2   2.171  -1.580  -7.171
   10   2HG1  VAL   2          2HG1      VAL   2   1.447  -0.903  -5.692
   11   3HG1  VAL   2          3HG1      VAL   2   3.088  -0.419  -6.182
   12   1HG2  VAL   2          1HG2      VAL   2   5.003  -3.066  -5.450
   13   2HG2  VAL   2          2HG2      VAL   2   4.793  -1.308  -5.630
   14   3HG2  VAL   2          3HG2      VAL   2   4.633  -2.064  -4.026
   15    HA   PRO   3           HA       PRO   3   2.390  -6.156  -2.071
   16   1HB   PRO   3          2HB       PRO   3   1.679  -8.187  -3.755
   17   2HB   PRO   3          3HB       PRO   3   0.531  -7.339  -2.737
   18   1HG   PRO   3          2HG       PRO   3   0.954  -7.097  -5.653
   19   2HG   PRO   3          3HG       PRO   3  -0.429  -6.600  -4.700
   20   1HD   PRO   3          2HD       PRO   3   1.620  -4.899  -5.765
   21   2HD   PRO   3          3HD       PRO   3   0.301  -4.420  -4.715
   22    H    LYS   4           HN       LYS   4   4.226  -7.163  -1.493
   23    HA   LYS   4           HA       LYS   4   6.476  -6.794  -3.012
   24   1HB   LYS   4          2HB       LYS   4   5.831  -8.852  -0.886
   25   2HB   LYS   4          3HB       LYS   4   7.434  -8.642  -1.562
   26   1HG   LYS   4          2HG       LYS   4   5.830  -6.382  -0.278
   27   2HG   LYS   4          3HG       LYS   4   7.016  -7.342   0.583
   28   1HD   LYS   4          2HD       LYS   4   8.343  -6.520  -1.783
   29   2HD   LYS   4          3HD       LYS   4   7.435  -5.111  -1.273
   30   1HE   LYS   4          2HE       LYS   4   8.472  -5.983   1.145
   31   2HE   LYS   4          3HE       LYS   4   9.751  -6.445   0.040
   32   1HZ   LYS   4          1HZ       LYS   4  10.246  -4.237   0.566
   33   2HZ   LYS   4          2HZ       LYS   4   9.470  -4.048  -0.853
   34    H    SER   5           HN       SER   5   3.869  -9.090  -3.426
   35    HA   SER   5           HA       SER   5   5.371 -11.001  -4.834
   36   1HB   SER   5          2HB       SER   5   3.204 -11.960  -5.428
   37   2HB   SER   5          3HB       SER   5   3.176 -11.471  -3.746
   38    HG   SER   5           HG       SER   5   1.417 -10.377  -4.279
   39    H    ASP   6           HN       ASP   6   3.672  -7.978  -5.659
   40    HA   ASP   6           HA       ASP   6   3.338  -8.313  -8.333
   41   1HB   ASP   6          2HB       ASP   6   2.544  -6.351  -7.036
   42   2HB   ASP   6          3HB       ASP   6   4.195  -5.812  -6.803
   43    HD2  ASP   6           HD2      ASP   6   3.219  -6.629 -10.260
   44    H    GLN   7           HN       GLN   7   6.242  -7.383  -6.411
   45    HA   GLN   7           HA       GLN   7   7.798  -6.766  -8.683
   46   1HB   GLN   7          2HB       GLN   7   8.058  -6.650  -5.800
   47   2HB   GLN   7          3HB       GLN   7   9.484  -7.423  -6.464
   48   1HG   GLN   7          2HG       GLN   7   9.827  -5.528  -8.026
   49   2HG   GLN   7          3HG       GLN   7   8.349  -4.770  -7.468
   50   1HE2  GLN   7          1HE2      GLN   7  11.482  -6.007  -6.364
   51   2HE2  GLN   7          2HE2      GLN   7  11.746  -4.859  -5.094
   52    H    PHE   8           HN       PHE   8   6.888  -9.698  -6.996
   53    HA   PHE   8           HA       PHE   8   9.148 -11.206  -7.914
   54   1HB   PHE   8          2HB       PHE   8   6.647 -11.499  -6.284
   55   2HB   PHE   8          3HB       PHE   8   7.088 -12.957  -7.151
   56    HD1  PHE   8           HD1      PHE   8   9.786 -13.418  -6.972
   57    HD2  PHE   8           HD2      PHE   8   7.388 -11.394  -4.115
   58    HE1  PHE   8           HE1      PHE   8  11.448 -13.982  -5.177
   59    HE2  PHE   8           HE2      PHE   8   9.050 -11.959  -2.320
   60    HZ   PHE   8           HZ       PHE   8  11.059 -13.246  -2.873
   61    H    VAL   9           HN       VAL   9   5.698 -10.725  -8.832
   62    HA   VAL   9           HA       VAL   9   5.872 -12.710 -10.901
   63    HB   VAL   9           HB       VAL   9   3.582 -11.814 -11.441
   64   1HG1  VAL   9          1HG1      VAL   9   2.620 -13.161  -9.857
   65   2HG1  VAL   9          2HG1      VAL   9   4.319 -13.655  -9.661
   66   3HG1  VAL   9          3HG1      VAL   9   3.594 -12.489  -8.528
   67   1HG2  VAL   9          1HG2      VAL   9   4.379  -9.590 -10.037
   68   2HG2  VAL   9          2HG2      VAL   9   2.695 -10.004 -10.441
   69   3HG2  VAL   9          3HG2      VAL   9   3.360 -10.437  -8.848
   70    H    GLY  10           HN       GLY  10   6.580  -9.308 -10.485
   71   1HA   GLY  10          1HA       GLY  10   6.378  -8.709 -13.323
   72   2HA   GLY  10          2HA       GLY  10   6.844  -7.626 -12.027
   73    H    LEU  11           HN       LEU  11   8.359 -10.793 -12.030
   74    HA   LEU  11           HA       LEU  11  10.914  -9.579 -12.435
   75   1HB   LEU  11          2HB       LEU  11  11.784 -11.786 -11.980
   76   2HB   LEU  11          3HB       LEU  11  10.598 -11.309 -10.781
   77    HG   LEU  11           HG       LEU  11   8.909 -12.694 -12.148
   78   1HD1  LEU  11          1HD1      LEU  11  10.842 -14.575 -13.111
   79   2HD1  LEU  11          2HD1      LEU  11   9.561 -13.718 -14.002
   80   3HD1  LEU  11          3HD1      LEU  11  11.172 -12.980 -13.830
   81   1HD2  LEU  11          1HD2      LEU  11  10.276 -13.246  -9.936
   82   2HD2  LEU  11          2HD2      LEU  11   9.212 -14.439 -10.718
   83   3HD2  LEU  11          3HD2      LEU  11  10.970 -14.506 -10.983
   84    H    MET  12           HN       MET  12   8.780 -11.868 -14.247
   85    HA   MET  12           HA       MET  12  10.607 -12.151 -16.354
   86   1HB   MET  12          2HB       MET  12   8.213 -13.341 -15.524
   87   2HB   MET  12          3HB       MET  12   7.700 -12.480 -16.962
   88   1HG   MET  12          2HG       MET  12   8.390 -14.619 -17.768
   89   2HG   MET  12          3HG       MET  12   9.728 -13.558 -18.162
   90   1HE   MET  12          1HE       MET  12   9.296 -15.935 -14.388
   91   2HE   MET  12          2HE       MET  12   8.077 -15.594 -15.639
   92   3HE   MET  12          3HE       MET  12   9.122 -17.027 -15.783
  Start of MODEL    6
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   1.719   0.874  -1.792
    3   1HB   ASP   1          2HB       ASP   1   3.732   0.515   0.011
    4   2HB   ASP   1          3HB       ASP   1   3.996  -0.909  -0.976
    5    HD2  ASP   1           HD2      ASP   1   5.990   1.015  -2.929
    6    H    VAL   2           HN       VAL   2   1.118  -2.205  -0.276
    7    HA   VAL   2           HA       VAL   2   1.543  -3.653  -2.782
    8    HB   VAL   2           HB       VAL   2   1.093  -5.639  -1.264
    9   1HG1  VAL   2          1HG1      VAL   2   3.504  -3.896  -0.647
   10   2HG1  VAL   2          2HG1      VAL   2   3.380  -5.652  -0.386
   11   3HG1  VAL   2          3HG1      VAL   2   3.340  -4.994  -2.039
   12   1HG2  VAL   2          1HG2      VAL   2   0.130  -3.924   0.529
   13   2HG2  VAL   2          2HG2      VAL   2   0.928  -5.439   1.014
   14   3HG2  VAL   2          3HG2      VAL   2   1.829  -3.905   1.060
   15    HA   PRO   3           HA       PRO   3  -2.805  -3.161  -3.224
   16   1HB   PRO   3          2HB       PRO   3  -2.925  -3.816  -5.875
   17   2HB   PRO   3          3HB       PRO   3  -2.621  -2.188  -5.303
   18   1HG   PRO   3          2HG       PRO   3  -0.718  -4.131  -6.462
   19   2HG   PRO   3          3HG       PRO   3  -0.544  -2.397  -6.283
   20   1HD   PRO   3          2HD       PRO   3   0.682  -4.421  -4.662
   21   2HD   PRO   3          3HD       PRO   3   0.762  -2.688  -4.414
   22    H    LYS   4           HN       LYS   4  -4.711  -4.480  -3.700
   23    HA   LYS   4           HA       LYS   4  -4.141  -7.142  -2.813
   24   1HB   LYS   4          2HB       LYS   4  -6.705  -5.693  -3.524
   25   2HB   LYS   4          3HB       LYS   4  -6.655  -7.356  -2.977
   26   1HG   LYS   4          2HG       LYS   4  -6.774  -6.487  -0.872
   27   2HG   LYS   4          3HG       LYS   4  -5.072  -6.120  -1.071
   28   1HD   LYS   4          2HD       LYS   4  -5.478  -3.887  -1.077
   29   2HD   LYS   4          3HD       LYS   4  -6.663  -4.048  -2.358
   30   1HE   LYS   4          2HE       LYS   4  -8.398  -4.700  -0.677
   31   2HE   LYS   4          3HE       LYS   4  -7.214  -4.555   0.606
   32   1HZ   LYS   4          1HZ       LYS   4  -7.483  -2.217  -1.106
   33   2HZ   LYS   4          2HZ       LYS   4  -8.769  -2.530  -0.157
   34    H    SER   5           HN       SER   5  -4.507  -5.471  -5.864
   35    HA   SER   5           HA       SER   5  -5.379  -7.704  -7.328
   36   1HB   SER   5          2HB       SER   5  -4.325  -4.965  -7.933
   37   2HB   SER   5          3HB       SER   5  -4.190  -6.149  -9.219
   38    HG   SER   5           HG       SER   5  -6.585  -6.588  -8.680
   39    H    ASP   6           HN       ASP   6  -2.376  -6.822  -5.870
   40    HA   ASP   6           HA       ASP   6  -0.718  -8.061  -7.808
   41   1HB   ASP   6          2HB       ASP   6   0.121  -6.256  -6.340
   42   2HB   ASP   6          3HB       ASP   6  -0.230  -7.213  -4.915
   43    HD2  ASP   6           HD2      ASP   6   2.437  -7.921  -4.357
   44    H    GLN   7           HN       GLN   7  -2.493  -8.932  -4.848
   45    HA   GLN   7           HA       GLN   7  -1.048 -11.313  -4.374
   46   1HB   GLN   7          2HB       GLN   7  -3.458  -9.950  -3.249
   47   2HB   GLN   7          3HB       GLN   7  -3.402 -11.688  -3.035
   48   1HG   GLN   7          2HG       GLN   7  -0.812 -11.009  -2.368
   49   2HG   GLN   7          3HG       GLN   7  -1.669  -9.574  -1.840
   50   1HE2  GLN   7          1HE2      GLN   7  -0.363 -12.026  -0.541
   51   2HE2  GLN   7          2HE2      GLN   7  -1.506 -12.560   0.645
   52    H    PHE   8           HN       PHE   8  -3.586 -10.340  -6.557
   53    HA   PHE   8           HA       PHE   8  -4.695 -12.969  -6.844
   54   1HB   PHE   8          2HB       PHE   8  -5.029 -10.165  -7.857
   55   2HB   PHE   8          3HB       PHE   8  -5.416 -11.387  -9.053
   56    HD1  PHE   8           HD1      PHE   8  -6.269 -10.173  -5.665
   57    HD2  PHE   8           HD2      PHE   8  -7.441 -12.603  -8.940
   58    HE1  PHE   8           HE1      PHE   8  -8.543 -10.455  -4.641
   59    HE2  PHE   8           HE2      PHE   8  -9.715 -12.886  -7.916
   60    HZ   PHE   8           HZ       PHE   8 -10.239 -11.808  -5.779
   61    H    VAL   9           HN       VAL   9  -2.396 -10.825  -8.610
   62    HA   VAL   9           HA       VAL   9  -2.111 -12.730 -10.741
   63    HB   VAL   9           HB       VAL   9  -0.342 -11.127 -11.477
   64   1HG1  VAL   9          1HG1      VAL   9  -2.662  -9.361 -10.991
   65   2HG1  VAL   9          2HG1      VAL   9  -1.911  -9.881 -12.519
   66   3HG1  VAL   9          3HG1      VAL   9  -3.060 -10.953 -11.680
   67   1HG2  VAL   9          1HG2      VAL   9   0.471  -9.512 -10.162
   68   2HG2  VAL   9          2HG2      VAL   9  -1.159  -8.970  -9.696
   69   3HG2  VAL   9          3HG2      VAL   9  -0.377 -10.302  -8.811
   70    H    GLY  10           HN       GLY  10  -0.680 -12.063  -7.597
   71   1HA   GLY  10          1HA       GLY  10   1.877 -13.014  -7.828
   72   2HA   GLY  10          2HA       GLY  10   0.859 -13.201  -6.414
   73    H    LEU  11           HN       LEU  11  -1.107 -14.963  -7.076
   74    HA   LEU  11           HA       LEU  11   0.389 -17.397  -7.369
   75   1HB   LEU  11          2HB       LEU  11  -1.693 -18.481  -6.792
   76   2HB   LEU  11          3HB       LEU  11  -1.302 -17.202  -5.659
   77    HG   LEU  11           HG       LEU  11  -2.910 -15.732  -7.056
   78   1HD1  LEU  11          1HD1      LEU  11  -4.589 -17.959  -7.786
   79   2HD1  LEU  11          2HD1      LEU  11  -4.007 -16.601  -8.777
   80   3HD1  LEU  11          3HD1      LEU  11  -3.018 -18.072  -8.614
   81   1HD2  LEU  11          1HD2      LEU  11  -4.292 -17.963  -5.582
   82   2HD2  LEU  11          2HD2      LEU  11  -3.231 -16.815  -4.730
   83   3HD2  LEU  11          3HD2      LEU  11  -4.661 -16.222  -5.608
   84    H    MET  12           HN       MET  12  -2.188 -15.607  -9.168
   85    HA   MET  12           HA       MET  12  -2.416 -17.529 -11.170
   86   1HB   MET  12          2HB       MET  12  -3.926 -15.461 -10.508
   87   2HB   MET  12          3HB       MET  12  -2.867 -14.531 -11.549
   88   1HG   MET  12          2HG       MET  12  -3.772 -15.411 -13.464
   89   2HG   MET  12          3HG       MET  12  -3.798 -17.040 -12.818
   90   1HE   MET  12          1HE       MET  12  -6.794 -17.682 -11.125
   91   2HE   MET  12          2HE       MET  12  -5.049 -17.557 -10.798
   92   3HE   MET  12          3HE       MET  12  -6.186 -16.438 -10.008
  Start of MODEL    7
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   1.961   1.007  -1.647
    3   1HB   ASP   1          2HB       ASP   1   3.653  -0.737   0.002
    4   2HB   ASP   1          3HB       ASP   1   3.854  -1.103  -1.700
    5    HD2  ASP   1           HD2      ASP   1   3.721   1.653   0.376
    6    H    VAL   2           HN       VAL   2   0.641  -2.058  -0.592
    7    HA   VAL   2           HA       VAL   2   0.691  -3.132  -3.312
    8    HB   VAL   2           HB       VAL   2  -0.009  -5.222  -2.241
    9   1HG1  VAL   2          1HG1      VAL   2   2.507  -3.803  -1.634
   10   2HG1  VAL   2          2HG1      VAL   2   2.163  -5.194  -0.577
   11   3HG1  VAL   2          3HG1      VAL   2   2.236  -5.414  -2.342
   12   1HG2  VAL   2          1HG2      VAL   2  -0.647  -3.488  -0.046
   13   2HG2  VAL   2          2HG2      VAL   2  -0.986  -5.225  -0.238
   14   3HG2  VAL   2          3HG2      VAL   2   0.544  -4.693   0.498
   15    HA   PRO   3           HA       PRO   3  -3.427  -1.596  -3.461
   16   1HB   PRO   3          2HB       PRO   3  -3.724  -1.759  -6.172
   17   2HB   PRO   3          3HB       PRO   3  -3.042  -0.361  -5.366
   18   1HG   PRO   3          2HG       PRO   3  -1.657  -2.469  -6.908
   19   2HG   PRO   3          3HG       PRO   3  -1.081  -0.874  -6.466
   20   1HD   PRO   3          2HD       PRO   3  -0.345  -3.363  -5.246
   21   2HD   PRO   3          3HD       PRO   3   0.140  -1.760  -4.731
   22    H    LYS   4           HN       LYS   4  -5.595  -2.342  -4.115
   23    HA   LYS   4           HA       LYS   4  -5.670  -5.163  -3.635
   24   1HB   LYS   4          2HB       LYS   4  -7.876  -3.150  -4.169
   25   2HB   LYS   4          3HB       LYS   4  -8.126  -4.815  -3.684
   26   1HG   LYS   4          2HG       LYS   4  -6.481  -2.815  -2.065
   27   2HG   LYS   4          3HG       LYS   4  -8.180  -3.131  -1.775
   28   1HD   LYS   4          2HD       LYS   4  -6.648  -5.634  -1.932
   29   2HD   LYS   4          3HD       LYS   4  -5.989  -4.565  -0.709
   30   1HE   LYS   4          2HE       LYS   4  -7.757  -4.916   0.682
   31   2HE   LYS   4          3HE       LYS   4  -8.917  -4.576  -0.588
   32   1HZ   LYS   4          1HZ       LYS   4  -8.919  -6.812  -1.254
   33   2HZ   LYS   4          2HZ       LYS   4  -7.497  -7.167  -0.543
   34    H    SER   5           HN       SER   5  -5.576  -3.032  -6.405
   35    HA   SER   5           HA       SER   5  -6.912  -4.765  -8.166
   36   1HB   SER   5          2HB       SER   5  -5.502  -2.200  -8.278
   37   2HB   SER   5          3HB       SER   5  -5.114  -3.186  -9.674
   38    HG   SER   5           HG       SER   5  -7.844  -3.189  -9.005
   39    H    ASP   6           HN       ASP   6  -3.820  -4.831  -6.632
   40    HA   ASP   6           HA       ASP   6  -2.452  -6.127  -8.751
   41   1HB   ASP   6          2HB       ASP   6  -1.254  -4.800  -7.039
   42   2HB   ASP   6          3HB       ASP   6  -1.845  -5.855  -5.770
   43    HD2  ASP   6           HD2      ASP   6   1.182  -6.967  -8.119
   44    H    GLN   7           HN       GLN   7  -4.406  -6.982  -5.889
   45    HA   GLN   7           HA       GLN   7  -3.584  -9.687  -5.839
   46   1HB   GLN   7          2HB       GLN   7  -5.416  -7.927  -4.339
   47   2HB   GLN   7          3HB       GLN   7  -6.047  -9.552  -4.517
   48   1HG   GLN   7          2HG       GLN   7  -4.177 -10.540  -3.416
   49   2HG   GLN   7          3HG       GLN   7  -3.165  -9.130  -3.663
   50   1HE2  GLN   7          1HE2      GLN   7  -2.792  -8.014  -1.922
   51   2HE2  GLN   7          2HE2      GLN   7  -3.850  -7.772  -0.572
   52    H    PHE   8           HN       PHE   8  -5.872  -7.793  -7.688
   53    HA   PHE   8           HA       PHE   8  -7.562 -10.020  -8.328
   54   1HB   PHE   8          2HB       PHE   8  -7.271  -7.080  -8.845
   55   2HB   PHE   8          3HB       PHE   8  -7.960  -7.958 -10.196
   56    HD1  PHE   8           HD1      PHE   8  -8.373  -7.878  -6.478
   57    HD2  PHE   8           HD2      PHE   8 -10.253  -8.013 -10.280
   58    HE1  PHE   8           HE1      PHE   8 -10.623  -7.823  -5.367
   59    HE2  PHE   8           HE2      PHE   8 -12.503  -7.958  -9.169
   60    HZ   PHE   8           HZ       PHE   8 -12.662  -7.864  -6.726
   61    H    VAL   9           HN       VAL   9  -4.880  -8.165  -9.865
   62    HA   VAL   9           HA       VAL   9  -5.098  -9.681 -12.295
   63    HB   VAL   9           HB       VAL   9  -3.030  -8.406 -12.873
   64   1HG1  VAL   9          1HG1      VAL   9  -4.189  -6.444 -13.376
   65   2HG1  VAL   9          2HG1      VAL   9  -5.494  -7.637 -13.169
   66   3HG1  VAL   9          3HG1      VAL   9  -5.124  -6.487 -11.862
   67   1HG2  VAL   9          1HG2      VAL   9  -3.180  -6.400 -10.833
   68   2HG2  VAL   9          2HG2      VAL   9  -2.942  -7.984 -10.056
   69   3HG2  VAL   9          3HG2      VAL   9  -1.798  -7.421 -11.298
   70    H    GLY  10           HN       GLY  10  -3.470  -9.912  -9.186
   71   1HA   GLY  10          1HA       GLY  10  -1.197 -11.318  -9.691
   72   2HA   GLY  10          2HA       GLY  10  -2.244 -11.591  -8.313
   73    H    LEU  11           HN       LEU  11  -4.591 -12.592  -9.580
   74    HA   LEU  11           HA       LEU  11  -3.674 -15.251 -10.160
   75   1HB   LEU  11          2HB       LEU  11  -6.023 -15.830 -10.088
   76   2HB   LEU  11          3HB       LEU  11  -5.542 -14.910  -8.676
   77    HG   LEU  11           HG       LEU  11  -6.489 -12.854  -9.940
   78   1HD1  LEU  11          1HD1      LEU  11  -6.866 -14.764 -11.945
   79   2HD1  LEU  11          2HD1      LEU  11  -8.491 -14.458 -11.287
   80   3HD1  LEU  11          3HD1      LEU  11  -7.509 -13.105 -11.897
   81   1HD2  LEU  11          1HD2      LEU  11  -8.441 -14.960  -8.978
   82   2HD2  LEU  11          2HD2      LEU  11  -7.449 -13.939  -7.909
   83   3HD2  LEU  11          3HD2      LEU  11  -8.659 -13.193  -8.980
   84    H    MET  12           HN       MET  12  -5.409 -12.584 -11.878
   85    HA   MET  12           HA       MET  12  -5.213 -14.142 -14.306
   86   1HB   MET  12          2HB       MET  12  -7.372 -13.068 -13.891
   87   2HB   MET  12          3HB       MET  12  -6.610 -11.533 -13.524
   88   1HG   MET  12          2HG       MET  12  -5.741 -12.321 -16.160
   89   2HG   MET  12          3HG       MET  12  -7.480 -12.530 -16.094
   90   1HE   MET  12          1HE       MET  12  -5.008 -10.126 -14.265
   91   2HE   MET  12          2HE       MET  12  -4.497 -10.018 -15.967
   92   3HE   MET  12          3HE       MET  12  -5.235  -8.609 -15.168
  Start of MODEL    8
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   1.817   0.940  -1.734
    3   1HB   ASP   1          2HB       ASP   1   4.082  -0.324  -1.919
    4   2HB   ASP   1          3HB       ASP   1   3.933   0.903  -0.677
    5    HD2  ASP   1           HD2      ASP   1   4.899  -2.088  -1.252
    6    H    VAL   2           HN       VAL   2   2.178  -0.253  -3.822
    7    HA   VAL   2           HA       VAL   2   0.836  -2.851  -3.761
    8    HB   VAL   2           HB       VAL   2   0.666  -2.380  -6.257
    9   1HG1  VAL   2          1HG1      VAL   2  -0.881  -0.192  -5.114
   10   2HG1  VAL   2          2HG1      VAL   2  -1.428  -1.742  -5.797
   11   3HG1  VAL   2          3HG1      VAL   2  -0.935  -1.646  -4.089
   12   1HG2  VAL   2          1HG2      VAL   2   1.119   0.507  -5.526
   13   2HG2  VAL   2          2HG2      VAL   2   2.481  -0.521  -6.032
   14   3HG2  VAL   2          3HG2      VAL   2   1.103  -0.267  -7.129
   15    HA   PRO   3           HA       PRO   3   4.888  -4.405  -4.472
   16   1HB   PRO   3          2HB       PRO   3   4.339  -7.008  -3.847
   17   2HB   PRO   3          3HB       PRO   3   4.814  -5.815  -2.654
   18   1HG   PRO   3          2HG       PRO   3   2.136  -6.955  -3.170
   19   2HG   PRO   3          3HG       PRO   3   2.714  -6.109  -1.748
   20   1HD   PRO   3          2HD       PRO   3   1.021  -5.048  -3.807
   21   2HD   PRO   3          3HD       PRO   3   1.693  -4.171  -2.447
   22    H    LYS   4           HN       LYS   4   5.864  -6.320  -5.760
   23    HA   LYS   4           HA       LYS   4   4.600  -6.097  -8.329
   24   1HB   LYS   4          2HB       LYS   4   6.579  -7.210  -9.158
   25   2HB   LYS   4          3HB       LYS   4   7.042  -5.928  -8.057
   26   1HG   LYS   4          2HG       LYS   4   6.622  -8.517  -6.685
   27   2HG   LYS   4          3HG       LYS   4   7.875  -8.595  -7.907
   28   1HD   LYS   4          2HD       LYS   4   8.230  -6.127  -6.459
   29   2HD   LYS   4          3HD       LYS   4   8.005  -7.402  -5.278
   30   1HE   LYS   4          2HE       LYS   4  10.262  -7.724  -5.594
   31   2HE   LYS   4          3HE       LYS   4   9.727  -8.682  -6.961
   32   1HZ   LYS   4          1HZ       LYS   4  10.933  -6.025  -6.966
   33   2HZ   LYS   4          2HZ       LYS   4  11.115  -7.237  -8.039
   34    H    SER   5           HN       SER   5   4.549  -8.268  -5.596
   35    HA   SER   5           HA       SER   5   3.917 -10.586  -7.052
   36   1HB   SER   5          2HB       SER   5   4.202  -9.777  -4.258
   37   2HB   SER   5          3HB       SER   5   2.803 -10.814  -4.453
   38    HG   SER   5           HG       SER   5   5.169 -11.723  -4.142
   39    H    ASP   6           HN       ASP   6   2.193  -7.691  -6.286
   40    HA   ASP   6           HA       ASP   6  -0.368  -8.896  -6.112
   41   1HB   ASP   6          2HB       ASP   6   0.155  -6.717  -5.039
   42   2HB   ASP   6          3HB       ASP   6   0.508  -6.010  -6.604
   43    HD2  ASP   6           HD2      ASP   6  -2.176  -4.558  -5.839
   44    H    GLN   7           HN       GLN   7   1.731  -7.344  -8.581
   45    HA   GLN   7           HA       GLN   7  -0.315  -7.200 -10.528
   46   1HB   GLN   7          2HB       GLN   7   2.554  -6.521 -10.310
   47   2HB   GLN   7          3HB       GLN   7   2.102  -7.080 -11.908
   48   1HG   GLN   7          2HG       GLN   7   0.314  -5.063 -10.546
   49   2HG   GLN   7          3HG       GLN   7   1.839  -4.505 -11.205
   50   1HE2  GLN   7          1HE2      GLN   7  -1.316  -4.800 -11.846
   51   2HE2  GLN   7          2HE2      GLN   7  -1.325  -4.935 -13.573
   52    H    PHE   8           HN       PHE   8   1.773  -9.699  -9.307
   53    HA   PHE   8           HA       PHE   8   1.802 -11.226 -11.735
   54   1HB   PHE   8          2HB       PHE   8   2.811 -11.302  -8.911
   55   2HB   PHE   8          3HB       PHE   8   2.442 -12.888  -9.560
   56    HD1  PHE   8           HD1      PHE   8   3.357 -13.108 -12.144
   57    HD2  PHE   8           HD2      PHE   8   5.012 -10.676  -9.085
   58    HE1  PHE   8           HE1      PHE   8   5.576 -13.145 -13.316
   59    HE2  PHE   8           HE2      PHE   8   7.231 -10.713 -10.257
   60    HZ   PHE   8           HZ       PHE   8   7.487 -11.946 -12.358
   61    H    VAL   9           HN       VAL   9   0.015 -11.211  -8.603
   62    HA   VAL   9           HA       VAL   9  -1.434 -13.588  -9.313
   63    HB   VAL   9           HB       VAL   9  -2.666 -13.055  -7.207
   64   1HG1  VAL   9          1HG1      VAL   9  -1.058 -14.064  -5.957
   65   2HG1  VAL   9          2HG1      VAL   9  -0.257 -14.225  -7.539
   66   3HG1  VAL   9          3HG1      VAL   9   0.203 -12.904  -6.438
   67   1HG2  VAL   9          1HG2      VAL   9  -0.812 -11.139  -6.132
   68   2HG2  VAL   9          2HG2      VAL   9  -1.543 -10.480  -7.615
   69   3HG2  VAL   9          3HG2      VAL   9  -2.582 -11.030  -6.279
   70    H    GLY  10           HN       GLY  10  -1.707 -10.108  -9.749
   71   1HA   GLY  10          1HA       GLY  10  -4.384  -9.639  -9.916
   72   2HA   GLY  10          2HA       GLY  10  -3.181  -8.907 -10.959
   73    H    LEU  11           HN       LEU  11  -2.256 -10.938 -12.569
   74    HA   LEU  11           HA       LEU  11  -4.380 -11.245 -14.380
   75   1HB   LEU  11          2HB       LEU  11  -2.774 -12.570 -15.667
   76   2HB   LEU  11          3HB       LEU  11  -2.135 -11.023 -15.147
   77    HG   LEU  11           HG       LEU  11  -1.060 -12.338 -13.194
   78   1HD1  LEU  11          1HD1      LEU  11  -2.464 -14.455 -14.417
   79   2HD1  LEU  11          2HD1      LEU  11  -0.738 -14.743 -14.743
   80   3HD1  LEU  11          3HD1      LEU  11  -1.305 -14.538 -13.068
   81   1HD2  LEU  11          1HD2      LEU  11  -0.038 -12.809 -16.008
   82   2HD2  LEU  11          2HD2      LEU  11   0.152 -11.298 -15.086
   83   3HD2  LEU  11          3HD2      LEU  11   0.916 -12.797 -14.505
   84    H    MET  12           HN       MET  12  -2.720 -13.536 -12.121
   85    HA   MET  12           HA       MET  12  -4.738 -15.499 -12.785
   86   1HB   MET  12          2HB       MET  12  -3.264 -17.027 -11.446
   87   2HB   MET  12          3HB       MET  12  -2.346 -16.199 -12.688
   88   1HG   MET  12          2HG       MET  12  -1.462 -14.590 -11.068
   89   2HG   MET  12          3HG       MET  12  -2.537 -15.180  -9.815
   90   1HE   MET  12          1HE       MET  12   0.182 -16.692 -12.420
   91   2HE   MET  12          2HE       MET  12   0.715 -15.291 -11.460
   92   3HE   MET  12          3HE       MET  12   1.431 -16.894 -11.168
  Start of MODEL    9
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   2.137   1.047  -1.541
    3   1HB   ASP   1          2HB       ASP   1   3.417  -1.361  -0.277
    4   2HB   ASP   1          3HB       ASP   1   3.771  -1.089  -1.972
    5    HD2  ASP   1           HD2      ASP   1   3.825   0.505   1.074
    6    H    VAL   2           HN       VAL   2   2.609  -0.231  -3.770
    7    HA   VAL   2           HA       VAL   2   0.177  -1.252  -4.664
    8    HB   VAL   2           HB       VAL   2   1.448  -1.810  -6.698
    9   1HG1  VAL   2          1HG1      VAL   2   0.987   0.712  -5.576
   10   2HG1  VAL   2          2HG1      VAL   2   2.647   0.796  -6.212
   11   3HG1  VAL   2          3HG1      VAL   2   1.304   0.342  -7.288
   12   1HG2  VAL   2          1HG2      VAL   2   3.954  -0.838  -6.479
   13   2HG2  VAL   2          2HG2      VAL   2   3.750  -1.500  -4.839
   14   3HG2  VAL   2          3HG2      VAL   2   3.550  -2.557  -6.257
   15    HA   PRO   3           HA       PRO   3   0.733  -5.293  -3.034
   16   1HB   PRO   3          2HB       PRO   3  -1.851  -6.122  -3.355
   17   2HB   PRO   3          3HB       PRO   3  -1.290  -5.264  -1.934
   18   1HG   PRO   3          2HG       PRO   3  -2.926  -4.256  -4.180
   19   2HG   PRO   3          3HG       PRO   3  -2.715  -3.570  -2.582
   20   1HD   PRO   3          2HD       PRO   3  -1.496  -2.662  -5.015
   21   2HD   PRO   3          3HD       PRO   3  -1.196  -2.050  -3.400
   22    H    LYS   4           HN       LYS   4   0.730  -7.520  -3.749
   23    HA   LYS   4           HA       LYS   4   1.239  -7.539  -6.574
   24   1HB   LYS   4          2HB       LYS   4   1.426  -9.666  -4.424
   25   2HB   LYS   4          3HB       LYS   4   1.833  -9.942  -6.106
   26   1HG   LYS   4          2HG       LYS   4   3.802  -8.772  -5.960
   27   2HG   LYS   4          3HG       LYS   4   3.093  -7.502  -4.982
   28   1HD   LYS   4          2HD       LYS   4   3.971  -8.406  -3.098
   29   2HD   LYS   4          3HD       LYS   4   3.139  -9.919  -3.398
   30   1HE   LYS   4          2HE       LYS   4   5.058 -10.405  -5.117
   31   2HE   LYS   4          3HE       LYS   4   5.913  -9.093  -4.332
   32   1HZ   LYS   4          1HZ       LYS   4   6.360 -11.335  -3.357
   33   2HZ   LYS   4          2HZ       LYS   4   5.814 -10.271  -2.252
   34    H    SER   5           HN       SER   5  -1.426  -8.203  -4.405
   35    HA   SER   5           HA       SER   5  -2.725 -10.044  -6.082
   36   1HB   SER   5          2HB       SER   5  -3.245  -8.643  -3.555
   37   2HB   SER   5          3HB       SER   5  -4.696  -8.754  -4.532
   38    HG   SER   5           HG       SER   5  -4.805 -10.867  -4.169
   39    H    ASP   6           HN       ASP   6  -2.176  -6.638  -6.237
   40    HA   ASP   6           HA       ASP   6  -4.613  -5.992  -7.535
   41   1HB   ASP   6          2HB       ASP   6  -3.330  -4.306  -6.260
   42   2HB   ASP   6          3HB       ASP   6  -1.944  -4.525  -7.310
   43    HD2  ASP   6           HD2      ASP   6  -2.185  -2.839  -9.370
   44    H    GLN   7           HN       GLN   7  -1.254  -6.913  -8.394
   45    HA   GLN   7           HA       GLN   7  -1.478  -6.214 -11.107
   46   1HB   GLN   7          2HB       GLN   7   0.553  -7.123  -9.343
   47   2HB   GLN   7          3HB       GLN   7   0.460  -8.338 -10.602
   48   1HG   GLN   7          2HG       GLN   7   0.676  -6.570 -12.346
   49   2HG   GLN   7          3HG       GLN   7   0.721  -5.334 -11.104
   50   1HE2  GLN   7          1HE2      GLN   7   2.689  -5.997 -13.118
   51   2HE2  GLN   7          2HE2      GLN   7   4.169  -6.388 -12.307
   52    H    PHE   8           HN       PHE   8  -2.712  -8.822  -9.190
   53    HA   PHE   8           HA       PHE   8  -2.754 -10.739 -11.324
   54   1HB   PHE   8          2HB       PHE   8  -3.509 -10.436  -8.436
   55   2HB   PHE   8          3HB       PHE   8  -4.579 -11.500  -9.327
   56    HD1  PHE   8           HD1      PHE   8  -3.415 -13.372 -10.730
   57    HD2  PHE   8           HD2      PHE   8  -1.540 -11.283  -7.548
   58    HE1  PHE   8           HE1      PHE   8  -1.766 -15.246 -10.471
   59    HE2  PHE   8           HE2      PHE   8   0.110 -13.157  -7.290
   60    HZ   PHE   8           HZ       PHE   8  -0.023 -15.116  -8.754
   61    H    VAL   9           HN       VAL   9  -5.045  -8.457  -9.728
   62    HA   VAL   9           HA       VAL   9  -7.236  -9.385 -11.337
   63    HB   VAL   9           HB       VAL   9  -8.405  -7.471 -10.235
   64   1HG1  VAL   9          1HG1      VAL   9  -6.975  -9.229  -8.225
   65   2HG1  VAL   9          2HG1      VAL   9  -8.623  -8.561  -8.133
   66   3HG1  VAL   9          3HG1      VAL   9  -8.244  -9.837  -9.316
   67   1HG2  VAL   9          1HG2      VAL   9  -7.390  -6.054  -8.707
   68   2HG2  VAL   9          2HG2      VAL   9  -6.021  -7.158  -8.429
   69   3HG2  VAL   9          3HG2      VAL   9  -6.119  -6.224  -9.941
   70    H    GLY  10           HN       GLY  10  -4.643  -7.017 -11.535
   71   1HA   GLY  10          1HA       GLY  10  -5.633  -5.036 -13.118
   72   2HA   GLY  10          2HA       GLY  10  -4.013  -5.692 -13.247
   73    H    LEU  11           HN       LEU  11  -4.311  -8.234 -14.250
   74    HA   LEU  11           HA       LEU  11  -5.149  -7.657 -16.936
   75   1HB   LEU  11          2HB       LEU  11  -4.172  -9.804 -17.461
   76   2HB   LEU  11          3HB       LEU  11  -3.070  -8.812 -16.528
   77    HG   LEU  11           HG       LEU  11  -3.914 -10.141 -14.474
   78   1HD1  LEU  11          1HD1      LEU  11  -5.565 -11.297 -16.449
   79   2HD1  LEU  11          2HD1      LEU  11  -4.388 -12.545 -15.976
   80   3HD1  LEU  11          3HD1      LEU  11  -5.401 -11.763 -14.740
   81   1HD2  LEU  11          1HD2      LEU  11  -2.264 -11.917 -14.871
   82   2HD2  LEU  11          2HD2      LEU  11  -2.213 -11.480 -16.595
   83   3HD2  LEU  11          3HD2      LEU  11  -1.657 -10.319 -15.366
   84    H    MET  12           HN       MET  12  -6.123  -9.869 -14.246
   85    HA   MET  12           HA       MET  12  -8.124 -11.137 -15.675
   86   1HB   MET  12          2HB       MET  12  -6.985 -11.371 -13.174
   87   2HB   MET  12          3HB       MET  12  -8.517 -10.645 -12.731
   88   1HG   MET  12          2HG       MET  12  -8.912 -13.006 -12.663
   89   2HG   MET  12          3HG       MET  12  -9.659 -12.469 -14.155
   90   1HE   MET  12          1HE       MET  12  -6.904 -14.042 -12.339
   91   2HE   MET  12          2HE       MET  12  -6.062 -15.103 -13.493
   92   3HE   MET  12          3HE       MET  12  -5.621 -13.383 -13.381
  Start of MODEL   10
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   2.012   1.023  -1.617
    3   1HB   ASP   1          2HB       ASP   1   3.578  -1.043  -0.130
    4   2HB   ASP   1          3HB       ASP   1   3.864  -1.006  -1.859
    5    HD2  ASP   1           HD2      ASP   1   4.428   1.089  -2.679
    6    H    VAL   2           HN       VAL   2   0.417  -1.909  -0.672
    7    HA   VAL   2           HA       VAL   2   0.741  -3.492  -2.941
    8    HB   VAL   2           HB       VAL   2  -1.294  -4.606  -2.162
    9   1HG1  VAL   2          1HG1      VAL   2   0.347  -5.548  -0.927
   10   2HG1  VAL   2          2HG1      VAL   2   1.008  -3.977  -0.414
   11   3HG1  VAL   2          3HG1      VAL   2  -0.411  -4.659   0.417
   12   1HG2  VAL   2          1HG2      VAL   2  -2.732  -2.842  -1.508
   13   2HG2  VAL   2          2HG2      VAL   2  -2.343  -3.720  -0.010
   14   3HG2  VAL   2          3HG2      VAL   2  -1.535  -2.176  -0.372
   15    HA   PRO   3           HA       PRO   3  -1.490  -0.871  -5.669
   16   1HB   PRO   3          2HB       PRO   3  -0.682  -2.068  -7.989
   17   2HB   PRO   3          3HB       PRO   3   0.226  -0.793  -7.202
   18   1HG   PRO   3          2HG       PRO   3   0.792  -3.694  -7.282
   19   2HG   PRO   3          3HG       PRO   3   1.874  -2.375  -6.883
   20   1HD   PRO   3          2HD       PRO   3   0.620  -4.183  -5.043
   21   2HD   PRO   3          3HD       PRO   3   1.609  -2.794  -4.638
   22    H    LYS   4           HN       LYS   4  -3.167  -1.076  -7.409
   23    HA   LYS   4           HA       LYS   4  -4.933  -3.160  -6.523
   24   1HB   LYS   4          2HB       LYS   4  -5.200  -0.866  -8.477
   25   2HB   LYS   4          3HB       LYS   4  -6.468  -2.050  -8.231
   26   1HG   LYS   4          2HG       LYS   4  -7.147  -0.975  -6.356
   27   2HG   LYS   4          3HG       LYS   4  -5.569  -1.202  -5.629
   28   1HD   LYS   4          2HD       LYS   4  -5.331   1.056  -5.732
   29   2HD   LYS   4          3HD       LYS   4  -5.100   0.859  -7.458
   30   1HE   LYS   4          2HE       LYS   4  -7.332   1.440  -7.968
   31   2HE   LYS   4          3HE       LYS   4  -7.925   0.985  -6.383
   32   1HZ   LYS   4          1HZ       LYS   4  -7.247   2.981  -5.485
   33   2HZ   LYS   4          2HZ       LYS   4  -6.002   3.193  -6.513
   34    H    SER   5           HN       SER   5  -2.556  -2.666  -9.032
   35    HA   SER   5           HA       SER   5  -3.709  -4.420 -10.900
   36   1HB   SER   5          2HB       SER   5  -1.199  -2.898 -10.577
   37   2HB   SER   5          3HB       SER   5  -0.954  -4.435 -11.383
   38    HG   SER   5           HG       SER   5  -3.047  -2.608 -12.175
   39    H    ASP   6           HN       ASP   6  -2.137  -4.859  -7.856
   40    HA   ASP   6           HA       ASP   6  -0.932  -7.346  -8.488
   41   1HB   ASP   6          2HB       ASP   6  -0.074  -5.902  -6.670
   42   2HB   ASP   6          3HB       ASP   6  -1.609  -6.001  -5.831
   43    HD2  ASP   6           HD2      ASP   6  -0.324  -8.546  -3.975
   44    H    GLN   7           HN       GLN   7  -4.038  -6.102  -7.254
   45    HA   GLN   7           HA       GLN   7  -4.906  -8.591  -6.231
   46   1HB   GLN   7          2HB       GLN   7  -5.982  -5.844  -6.523
   47   2HB   GLN   7          3HB       GLN   7  -7.204  -7.094  -6.642
   48   1HG   GLN   7          2HG       GLN   7  -6.332  -8.095  -4.487
   49   2HG   GLN   7          3HG       GLN   7  -5.203  -6.761  -4.357
   50   1HE2  GLN   7          1HE2      GLN   7  -6.348  -6.493  -2.301
   51   2HE2  GLN   7          2HE2      GLN   7  -7.777  -5.515  -2.243
   52    H    PHE   8           HN       PHE   8  -4.757  -7.091  -9.386
   53    HA   PHE   8           HA       PHE   8  -6.904  -8.639 -10.490
   54   1HB   PHE   8          2HB       PHE   8  -4.888  -6.554 -11.256
   55   2HB   PHE   8          3HB       PHE   8  -5.277  -7.657 -12.561
   56    HD1  PHE   8           HD1      PHE   8  -6.867  -5.391 -10.077
   57    HD2  PHE   8           HD2      PHE   8  -7.201  -7.327 -13.839
   58    HE1  PHE   8           HE1      PHE   8  -8.947  -4.075 -10.571
   59    HE2  PHE   8           HE2      PHE   8  -9.281  -6.011 -14.332
   60    HZ   PHE   8           HZ       PHE   8 -10.129  -4.401 -12.692
   61    H    VAL   9           HN       VAL   9  -3.300  -8.726 -10.422
   62    HA   VAL   9           HA       VAL   9  -3.228 -11.007 -12.166
   63    HB   VAL   9           HB       VAL   9  -0.794 -10.926 -11.610
   64   1HG1  VAL   9          1HG1      VAL   9  -0.371  -9.188 -13.087
   65   2HG1  VAL   9          2HG1      VAL   9  -2.075  -9.562 -13.442
   66   3HG1  VAL   9          3HG1      VAL   9  -1.665  -8.162 -12.421
   67   1HG2  VAL   9          1HG2      VAL   9  -0.782  -8.274 -10.460
   68   2HG2  VAL   9          2HG2      VAL   9  -1.682  -9.396  -9.412
   69   3HG2  VAL   9          3HG2      VAL   9  -0.004  -9.765  -9.876
   70    H    GLY  10           HN       GLY  10  -3.512 -10.331  -8.726
   71   1HA   GLY  10          1HA       GLY  10  -2.419 -12.617  -7.602
   72   2HA   GLY  10          2HA       GLY  10  -3.755 -11.688  -6.952
   73    H    LEU  11           HN       LEU  11  -5.730 -12.039  -8.967
   74    HA   LEU  11           HA       LEU  11  -6.515 -14.733  -8.352
   75   1HB   LEU  11          2HB       LEU  11  -8.622 -14.109  -9.360
   76   2HB   LEU  11          3HB       LEU  11  -8.106 -12.928  -8.173
   77    HG   LEU  11           HG       LEU  11  -7.195 -11.583 -10.187
   78   1HD1  LEU  11          1HD1      LEU  11  -7.442 -12.387 -12.237
   79   2HD1  LEU  11          2HD1      LEU  11  -8.163 -13.868 -11.562
   80   3HD1  LEU  11          3HD1      LEU  11  -9.204 -12.495 -12.008
   81   1HD2  LEU  11          1HD2      LEU  11  -9.820 -11.777  -8.985
   82   2HD2  LEU  11          2HD2      LEU  11  -8.898 -10.340  -9.491
   83   3HD2  LEU  11          3HD2      LEU  11  -9.927 -11.197 -10.664
   84    H    MET  12           HN       MET  12  -5.669 -12.795 -11.286
   85    HA   MET  12           HA       MET  12  -6.137 -14.848 -13.083
   86   1HB   MET  12          2HB       MET  12  -5.702 -12.294 -13.453
   87   2HB   MET  12          3HB       MET  12  -3.995 -12.677 -13.352
   88   1HG   MET  12          2HG       MET  12  -3.957 -13.544 -15.465
   89   2HG   MET  12          3HG       MET  12  -5.393 -14.508 -15.184
   90   1HE   MET  12          1HE       MET  12  -8.297 -12.041 -15.880
   91   2HE   MET  12          2HE       MET  12  -7.808 -13.691 -15.427
   92   3HE   MET  12          3HE       MET  12  -7.553 -12.345 -14.291
  Start of MODEL   11
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   1.740   0.889  -1.780
    3   1HB   ASP   1          2HB       ASP   1   4.104  -0.125  -1.921
    4   2HB   ASP   1          3HB       ASP   1   3.839   1.069  -0.666
    5    HD2  ASP   1           HD2      ASP   1   4.106  -0.024   1.717
    6    H    VAL   2           HN       VAL   2   2.689  -0.547  -3.703
    7    HA   VAL   2           HA       VAL   2   0.921  -2.650  -4.161
    8    HB   VAL   2           HB       VAL   2   2.462  -3.108  -6.096
    9   1HG1  VAL   2          1HG1      VAL   2   0.954  -1.704  -6.973
   10   2HG1  VAL   2          2HG1      VAL   2   0.916  -0.700  -5.505
   11   3HG1  VAL   2          3HG1      VAL   2   2.164  -0.420  -6.742
   12   1HG2  VAL   2          1HG2      VAL   2   4.501  -2.183  -6.296
   13   2HG2  VAL   2          2HG2      VAL   2   3.942  -0.597  -5.711
   14   3HG2  VAL   2          3HG2      VAL   2   4.377  -1.872  -4.547
   15    HA   PRO   3           HA       PRO   3   3.102  -5.628  -1.781
   16   1HB   PRO   3          2HB       PRO   3   1.108  -7.496  -1.708
   17   2HB   PRO   3          3HB       PRO   3   1.242  -6.190  -0.546
   18   1HG   PRO   3          2HG       PRO   3  -0.640  -6.473  -2.808
   19   2HG   PRO   3          3HG       PRO   3  -0.755  -5.424  -1.410
   20   1HD   PRO   3          2HD       PRO   3  -0.002  -4.662  -4.070
   21   2HD   PRO   3          3HD       PRO   3  -0.005  -3.638  -2.648
   22    H    LYS   4           HN       LYS   4   4.205  -7.608  -2.070
   23    HA   LYS   4           HA       LYS   4   4.626  -8.096  -4.850
   24   1HB   LYS   4          2HB       LYS   4   6.386  -9.531  -4.137
   25   2HB   LYS   4          3HB       LYS   4   6.411  -8.124  -3.093
   26   1HG   LYS   4          2HG       LYS   4   4.796 -10.532  -2.235
   27   2HG   LYS   4          3HG       LYS   4   6.540 -10.592  -2.075
   28   1HD   LYS   4          2HD       LYS   4   5.982  -8.085  -1.028
   29   2HD   LYS   4          3HD       LYS   4   4.555  -8.983  -0.550
   30   1HE   LYS   4          2HE       LYS   4   6.994 -10.564  -0.114
   31   2HE   LYS   4          3HE       LYS   4   7.082  -9.025   0.720
   32   1HZ   LYS   4          1HZ       LYS   4   5.759 -11.175   1.664
   33   2HZ   LYS   4          2HZ       LYS   4   5.440  -9.649   2.136
   34    H    SER   5           HN       SER   5   2.534  -9.346  -2.334
   35    HA   SER   5           HA       SER   5   2.191 -11.891  -3.472
   36   1HB   SER   5          2HB       SER   5   1.428 -10.598  -1.110
   37   2HB   SER   5          3HB       SER   5  -0.099 -10.847  -1.931
   38    HG   SER   5           HG       SER   5   0.294 -13.093  -2.025
   39    H    ASP   6           HN       ASP   6   1.147  -8.710  -4.340
   40    HA   ASP   6           HA       ASP   6  -1.314  -9.506  -5.502
   41   1HB   ASP   6          2HB       ASP   6  -0.913  -7.192  -4.698
   42   2HB   ASP   6          3HB       ASP   6   0.398  -7.000  -5.844
   43    HD2  ASP   6           HD2      ASP   6  -2.839  -5.582  -6.417
   44    H    GLN   7           HN       GLN   7   2.098  -8.974  -6.491
   45    HA   GLN   7           HA       GLN   7   1.575  -9.081  -9.252
   46   1HB   GLN   7          2HB       GLN   7   3.779  -8.497  -7.580
   47   2HB   GLN   7          3HB       GLN   7   4.286  -9.896  -8.505
   48   1HG   GLN   7          2HG       GLN   7   3.002  -8.270 -10.413
   49   2HG   GLN   7          3HG       GLN   7   3.856  -7.123  -9.401
   50   1HE2  GLN   7          1HE2      GLN   7   5.565  -6.557 -10.542
   51   2HE2  GLN   7          2HE2      GLN   7   6.763  -7.618 -11.205
   52    H    PHE   8           HN       PHE   8   1.753 -11.459  -6.729
   53    HA   PHE   8           HA       PHE   8   2.604 -13.600  -8.438
   54   1HB   PHE   8          2HB       PHE   8   1.839 -13.042  -5.592
   55   2HB   PHE   8          3HB       PHE   8   1.396 -14.651  -6.128
   56    HD1  PHE   8           HD1      PHE   8   3.286 -16.042  -7.260
   57    HD2  PHE   8           HD2      PHE   8   3.993 -12.643  -4.820
   58    HE1  PHE   8           HE1      PHE   8   5.635 -16.825  -6.850
   59    HE2  PHE   8           HE2      PHE   8   6.342 -13.427  -4.410
   60    HZ   PHE   8           HZ       PHE   8   7.135 -15.508  -5.430
   61    H    VAL   9           HN       VAL   9  -0.476 -12.352  -7.040
   62    HA   VAL   9           HA       VAL   9  -1.978 -14.525  -8.168
   63    HB   VAL   9           HB       VAL   9  -3.905 -13.189  -7.314
   64   1HG1  VAL   9          1HG1      VAL   9  -1.883 -13.445  -5.099
   65   2HG1  VAL   9          2HG1      VAL   9  -3.607 -13.890  -5.120
   66   3HG1  VAL   9          3HG1      VAL   9  -2.419 -14.889  -5.992
   67   1HG2  VAL   9          1HG2      VAL   9  -3.727 -11.105  -6.437
   68   2HG2  VAL   9          2HG2      VAL   9  -2.108 -11.408  -5.761
   69   3HG2  VAL   9          3HG2      VAL   9  -2.293 -11.021  -7.489
   70    H    GLY  10           HN       GLY  10  -0.850 -11.330  -9.117
   71   1HA   GLY  10          1HA       GLY  10  -2.722 -10.502 -10.942
   72   2HA   GLY  10          2HA       GLY  10  -0.995 -10.243 -11.082
   73    H    LEU  11           HN       LEU  11   0.114 -12.704 -11.549
   74    HA   LEU  11           HA       LEU  11  -0.843 -13.241 -14.203
   75   1HB   LEU  11          2HB       LEU  11   1.134 -14.618 -14.393
   76   2HB   LEU  11          3HB       LEU  11   1.522 -13.024 -13.779
   77    HG   LEU  11           HG       LEU  11   1.464 -14.121 -11.436
   78   1HD1  LEU  11          1HD1      LEU  11   0.735 -16.364 -12.996
   79   2HD1  LEU  11          2HD1      LEU  11   2.374 -16.675 -12.375
   80   3HD1  LEU  11          3HD1      LEU  11   1.053 -16.290 -11.246
   81   1HD2  LEU  11          1HD2      LEU  11   3.830 -14.974 -11.759
   82   2HD2  LEU  11          2HD2      LEU  11   3.627 -14.608 -13.489
   83   3HD2  LEU  11          3HD2      LEU  11   3.513 -13.303 -12.284
   84    H    MET  12           HN       MET  12  -0.556 -15.000 -11.056
   85    HA   MET  12           HA       MET  12  -1.646 -17.364 -12.082
   86   1HB   MET  12          2HB       MET  12  -0.323 -16.679  -9.804
   87   2HB   MET  12          3HB       MET  12  -1.955 -16.594  -9.170
   88   1HG   MET  12          2HG       MET  12  -2.177 -18.867  -9.148
   89   2HG   MET  12          3HG       MET  12  -1.563 -19.025 -10.782
   90   1HE   MET  12          1HE       MET  12   0.682 -18.263 -11.325
   91   2HE   MET  12          2HE       MET  12   2.030 -18.025 -10.188
   92   3HE   MET  12          3HE       MET  12   1.747 -19.627 -10.911
  Start of MODEL   12
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   2.147   1.048  -1.536
    3   1HB   ASP   1          2HB       ASP   1   3.452  -1.227  -0.156
    4   2HB   ASP   1          3HB       ASP   1   3.677  -1.266  -1.894
    5    HD2  ASP   1           HD2      ASP   1   5.001   0.012   0.869
    6    H    VAL   2           HN       VAL   2   0.205  -1.743  -0.811
    7    HA   VAL   2           HA       VAL   2   0.328  -3.152  -3.210
    8    HB   VAL   2           HB       VAL   2  -1.924  -3.978  -2.494
    9   1HG1  VAL   2          1HG1      VAL   2   0.576  -4.504  -1.467
   10   2HG1  VAL   2          2HG1      VAL   2  -0.381  -4.192   0.001
   11   3HG1  VAL   2          3HG1      VAL   2  -0.894  -5.454  -1.145
   12   1HG2  VAL   2          1HG2      VAL   2  -2.059  -1.567  -1.108
   13   2HG2  VAL   2          2HG2      VAL   2  -3.175  -2.944  -0.954
   14   3HG2  VAL   2          3HG2      VAL   2  -1.801  -2.783   0.166
   15    HA   PRO   3           HA       PRO   3  -1.591  -0.062  -5.672
   16   1HB   PRO   3          2HB       PRO   3  -0.941  -1.142  -8.097
   17   2HB   PRO   3          3HB       PRO   3   0.116  -0.055  -7.218
   18   1HG   PRO   3          2HG       PRO   3   0.333  -2.984  -7.553
   19   2HG   PRO   3          3HG       PRO   3   1.567  -1.841  -7.059
   20   1HD   PRO   3          2HD       PRO   3   0.116  -3.640  -5.361
   21   2HD   PRO   3          3HD       PRO   3   1.264  -2.417  -4.854
   22    H    LYS   4           HN       LYS   4  -3.530   0.255  -6.772
   23    HA   LYS   4           HA       LYS   4  -5.312  -1.946  -6.376
   24   1HB   LYS   4          2HB       LYS   4  -5.583   0.896  -7.335
   25   2HB   LYS   4          3HB       LYS   4  -6.908  -0.233  -7.527
   26   1HG   LYS   4          2HG       LYS   4  -7.261  -0.443  -5.227
   27   2HG   LYS   4          3HG       LYS   4  -5.584  -0.128  -4.827
   28   1HD   LYS   4          2HD       LYS   4  -5.925   2.124  -4.657
   29   2HD   LYS   4          3HD       LYS   4  -6.857   2.186  -6.140
   30   1HE   LYS   4          2HE       LYS   4  -8.875   1.385  -4.959
   31   2HE   LYS   4          3HE       LYS   4  -7.961   1.159  -3.481
   32   1HZ   LYS   4          1HZ       LYS   4  -7.618   3.811  -4.441
   33   2HZ   LYS   4          2HZ       LYS   4  -9.208   3.491  -4.297
   34    H    SER   5           HN       SER   5  -3.257  -0.752  -8.939
   35    HA   SER   5           HA       SER   5  -4.784  -1.785 -11.059
   36   1HB   SER   5          2HB       SER   5  -2.591  -0.128 -10.838
   37   2HB   SER   5          3HB       SER   5  -1.833  -1.599 -11.414
   38    HG   SER   5           HG       SER   5  -4.059  -0.225 -12.663
   39    H    ASP   6           HN       ASP   6  -2.754  -3.189  -8.612
   40    HA   ASP   6           HA       ASP   6  -1.856  -5.378 -10.145
   41   1HB   ASP   6          2HB       ASP   6  -0.682  -4.626  -8.104
   42   2HB   ASP   6          3HB       ASP   6  -2.106  -4.943  -7.133
   43    HD2  ASP   6           HD2      ASP   6  -1.617  -6.526  -5.940
   44    H    GLN   7           HN       GLN   7  -4.660  -4.569  -8.071
   45    HA   GLN   7           HA       GLN   7  -5.560  -7.231  -7.833
   46   1HB   GLN   7          2HB       GLN   7  -6.148  -4.800  -6.610
   47   2HB   GLN   7          3HB       GLN   7  -7.596  -5.104  -7.549
   48   1HG   GLN   7          2HG       GLN   7  -6.836  -7.599  -6.334
   49   2HG   GLN   7          3HG       GLN   7  -6.746  -6.370  -5.088
   50   1HE2  GLN   7          1HE2      GLN   7  -8.798  -7.640  -7.680
   51   2HE2  GLN   7          2HE2      GLN   7 -10.330  -7.294  -6.950
   52    H    PHE   8           HN       PHE   8  -5.725  -4.772 -10.306
   53    HA   PHE   8           HA       PHE   8  -8.118  -5.793 -11.512
   54   1HB   PHE   8          2HB       PHE   8  -6.060  -3.638 -11.856
   55   2HB   PHE   8          3HB       PHE   8  -6.706  -4.229 -13.374
   56    HD1  PHE   8           HD1      PHE   8  -7.670  -2.731 -10.127
   57    HD2  PHE   8           HD2      PHE   8  -8.845  -3.571 -14.117
   58    HE1  PHE   8           HE1      PHE   8  -9.683  -1.259  -9.844
   59    HE2  PHE   8           HE2      PHE   8 -10.859  -2.099 -13.834
   60    HZ   PHE   8           HZ       PHE   8 -11.254  -0.961 -11.700
   61    H    VAL   9           HN       VAL   9  -4.556  -6.015 -12.026
   62    HA   VAL   9           HA       VAL   9  -4.904  -7.581 -14.409
   63    HB   VAL   9           HB       VAL   9  -2.421  -7.768 -14.240
   64   1HG1  VAL   9          1HG1      VAL   9  -3.791  -5.075 -14.223
   65   2HG1  VAL   9          2HG1      VAL   9  -2.043  -5.235 -14.515
   66   3HG1  VAL   9          3HG1      VAL   9  -3.204  -6.025 -15.609
   67   1HG2  VAL   9          1HG2      VAL   9  -2.832  -7.136 -11.557
   68   2HG2  VAL   9          2HG2      VAL   9  -1.268  -7.212 -12.404
   69   3HG2  VAL   9          3HG2      VAL   9  -2.121  -5.657 -12.248
   70    H    GLY  10           HN       GLY  10  -4.664  -8.089 -10.935
   71   1HA   GLY  10          1HA       GLY  10  -3.633 -10.668 -10.826
   72   2HA   GLY  10          2HA       GLY  10  -4.752  -9.952  -9.683
   73    H    LEU  11           HN       LEU  11  -7.092  -9.565 -11.095
   74    HA   LEU  11           HA       LEU  11  -7.962 -12.282 -11.425
   75   1HB   LEU  11          2HB       LEU  11 -10.178 -11.308 -11.568
   76   2HB   LEU  11          3HB       LEU  11  -9.303 -10.737 -10.161
   77    HG   LEU  11           HG       LEU  11  -8.721  -8.674 -11.647
   78   1HD1  LEU  11          1HD1      LEU  11  -9.731  -8.372 -13.615
   79   2HD1  LEU  11          2HD1      LEU  11 -10.075 -10.117 -13.563
   80   3HD1  LEU  11          3HD1      LEU  11 -11.300  -8.952 -13.006
   81   1HD2  LEU  11          1HD2      LEU  11 -11.583  -8.496 -11.025
   82   2HD2  LEU  11          2HD2      LEU  11 -10.596  -9.169  -9.706
   83   3HD2  LEU  11          3HD2      LEU  11 -10.203  -7.572 -10.386
   84    H    MET  12           HN       MET  12  -7.625  -9.314 -13.462
   85    HA   MET  12           HA       MET  12  -8.316 -10.923 -15.763
   86   1HB   MET  12          2HB       MET  12  -9.359  -8.686 -15.549
   87   2HB   MET  12          3HB       MET  12  -7.791  -7.929 -15.347
   88   1HG   MET  12          2HG       MET  12  -7.488  -9.306 -17.763
   89   2HG   MET  12          3HG       MET  12  -9.159  -8.782 -17.833
   90   1HE   MET  12          1HE       MET  12  -5.572  -7.862 -17.099
   91   2HE   MET  12          2HE       MET  12  -5.464  -6.102 -17.342
   92   3HE   MET  12          3HE       MET  12  -6.220  -6.752 -15.868
  Start of MODEL   13
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   2.178   1.050  -1.517
    3   1HB   ASP   1          2HB       ASP   1   3.307  -1.639  -0.625
    4   2HB   ASP   1          3HB       ASP   1   3.895  -0.798  -2.046
    5    HD2  ASP   1           HD2      ASP   1   5.644  -0.843   0.857
    6    H    VAL   2           HN       VAL   2   0.227  -1.772  -0.835
    7    HA   VAL   2           HA       VAL   2   0.287  -3.073  -3.297
    8    HB   VAL   2           HB       VAL   2  -1.910  -3.974  -2.559
    9   1HG1  VAL   2          1HG1      VAL   2   0.654  -4.273  -1.357
   10   2HG1  VAL   2          2HG1      VAL   2  -0.562  -4.366  -0.060
   11   3HG1  VAL   2          3HG1      VAL   2  -0.667  -5.461  -1.459
   12   1HG2  VAL   2          1HG2      VAL   2  -2.165  -3.175   0.068
   13   2HG2  VAL   2          2HG2      VAL   2  -1.761  -1.653  -0.763
   14   3HG2  VAL   2          3HG2      VAL   2  -3.166  -2.609  -1.291
   15    HA   PRO   3           HA       PRO   3  -1.717   0.111  -5.563
   16   1HB   PRO   3          2HB       PRO   3  -1.132  -0.855  -8.051
   17   2HB   PRO   3          3HB       PRO   3  -0.056   0.198  -7.155
   18   1HG   PRO   3          2HG       PRO   3   0.167  -2.712  -7.627
   19   2HG   PRO   3          3HG       PRO   3   1.408  -1.584  -7.118
   20   1HD   PRO   3          2HD       PRO   3   0.016  -3.466  -5.461
   21   2HD   PRO   3          3HD       PRO   3   1.172  -2.260  -4.933
   22    H    LYS   4           HN       LYS   4  -3.827   0.395  -5.914
   23    HA   LYS   4           HA       LYS   4  -5.513  -1.803  -5.783
   24   1HB   LYS   4          2HB       LYS   4  -5.943   1.029  -6.763
   25   2HB   LYS   4          3HB       LYS   4  -7.240  -0.140  -6.624
   26   1HG   LYS   4          2HG       LYS   4  -7.407   0.288  -4.406
   27   2HG   LYS   4          3HG       LYS   4  -5.757  -0.251  -4.167
   28   1HD   LYS   4          2HD       LYS   4  -4.909   1.896  -4.119
   29   2HD   LYS   4          3HD       LYS   4  -6.020   2.480  -5.342
   30   1HE   LYS   4          2HE       LYS   4  -7.121   1.730  -2.625
   31   2HE   LYS   4          3HE       LYS   4  -6.264   3.249  -2.795
   32   1HZ   LYS   4          1HZ       LYS   4  -8.493   3.753  -3.295
   33   2HZ   LYS   4          2HZ       LYS   4  -7.824   3.640  -4.775
   34    H    SER   5           HN       SER   5  -3.641  -0.490  -8.430
   35    HA   SER   5           HA       SER   5  -5.291  -1.469 -10.481
   36   1HB   SER   5          2HB       SER   5  -2.973   0.122 -10.278
   37   2HB   SER   5          3HB       SER   5  -2.442  -1.290 -11.169
   38    HG   SER   5           HG       SER   5  -4.208  -0.944 -12.674
   39    H    ASP   6           HN       ASP   6  -3.043  -2.915  -8.244
   40    HA   ASP   6           HA       ASP   6  -2.223  -5.035  -9.897
   41   1HB   ASP   6          2HB       ASP   6  -0.962  -4.342  -7.884
   42   2HB   ASP   6          3HB       ASP   6  -2.328  -4.734  -6.859
   43    HD2  ASP   6           HD2      ASP   6   0.583  -6.040  -7.521
   44    H    GLN   7           HN       GLN   7  -4.929  -4.361  -7.651
   45    HA   GLN   7           HA       GLN   7  -5.776  -7.055  -7.510
   46   1HB   GLN   7          2HB       GLN   7  -6.695  -4.410  -6.500
   47   2HB   GLN   7          3HB       GLN   7  -7.978  -5.573  -6.768
   48   1HG   GLN   7          2HG       GLN   7  -5.991  -7.103  -5.510
   49   2HG   GLN   7          3HG       GLN   7  -5.867  -5.553  -4.701
   50   1HE2  GLN   7          1HE2      GLN   7  -6.633  -6.510  -2.800
   51   2HE2  GLN   7          2HE2      GLN   7  -8.312  -6.848  -2.539
   52    H    PHE   8           HN       PHE   8  -6.107  -4.457  -9.810
   53    HA   PHE   8           HA       PHE   8  -8.577  -5.411 -10.915
   54   1HB   PHE   8          2HB       PHE   8  -6.541  -3.235 -11.269
   55   2HB   PHE   8          3HB       PHE   8  -7.294  -3.735 -12.769
   56    HD1  PHE   8           HD1      PHE   8  -9.307  -2.774 -13.396
   57    HD2  PHE   8           HD2      PHE   8  -8.193  -2.696  -9.302
   58    HE1  PHE   8           HE1      PHE   8 -11.290  -1.324 -12.884
   59    HE2  PHE   8           HE2      PHE   8 -10.176  -1.246  -8.790
   60    HZ   PHE   8           HZ       PHE   8 -11.701  -0.577 -10.587
   61    H    VAL   9           HN       VAL   9  -5.056  -5.602 -11.663
   62    HA   VAL   9           HA       VAL   9  -5.556  -7.019 -14.111
   63    HB   VAL   9           HB       VAL   9  -3.049  -7.243 -14.059
   64   1HG1  VAL   9          1HG1      VAL   9  -2.653  -4.919 -14.639
   65   2HG1  VAL   9          2HG1      VAL   9  -4.256  -5.416 -15.235
   66   3HG1  VAL   9          3HG1      VAL   9  -4.122  -4.417 -13.768
   67   1HG2  VAL   9          1HG2      VAL   9  -2.608  -5.161 -12.096
   68   2HG2  VAL   9          2HG2      VAL   9  -3.386  -6.575 -11.345
   69   3HG2  VAL   9          3HG2      VAL   9  -1.856  -6.769 -12.234
   70    H    GLY  10           HN       GLY  10  -5.207  -7.743 -10.704
   71   1HA   GLY  10          1HA       GLY  10  -4.438 -10.509 -11.161
   72   2HA   GLY  10          2HA       GLY  10  -4.715  -9.711  -9.626
   73    H    LEU  11           HN       LEU  11  -7.133  -9.176 -12.113
   74    HA   LEU  11           HA       LEU  11  -9.094 -10.486 -10.500
   75   1HB   LEU  11          2HB       LEU  11 -10.668  -9.646 -12.129
   76   2HB   LEU  11          3HB       LEU  11  -9.572  -8.388 -11.594
   77    HG   LEU  11           HG       LEU  11  -8.230  -8.881 -13.737
   78   1HD1  LEU  11          1HD1      LEU  11 -10.198 -10.898 -13.988
   79   2HD1  LEU  11          2HD1      LEU  11 -10.512  -9.702 -15.269
   80   3HD1  LEU  11          3HD1      LEU  11  -8.908 -10.462 -15.134
   81   1HD2  LEU  11          1HD2      LEU  11 -10.781  -7.772 -14.668
   82   2HD2  LEU  11          2HD2      LEU  11 -10.208  -7.073 -13.134
   83   3HD2  LEU  11          3HD2      LEU  11  -9.165  -7.032 -14.576
   84    H    MET  12           HN       MET  12  -7.557 -11.038 -13.726
   85    HA   MET  12           HA       MET  12  -9.071 -13.329 -14.254
   86   1HB   MET  12          2HB       MET  12  -7.414 -11.711 -15.702
   87   2HB   MET  12          3HB       MET  12  -6.278 -13.002 -15.366
   88   1HG   MET  12          2HG       MET  12  -7.309 -14.443 -16.814
   89   2HG   MET  12          3HG       MET  12  -8.908 -14.036 -16.224
   90   1HE   MET  12          1HE       MET  12 -10.513 -11.932 -18.262
   91   2HE   MET  12          2HE       MET  12 -10.067 -12.138 -16.552
   92   3HE   MET  12          3HE       MET  12  -9.543 -10.687 -17.440
  Start of MODEL   14
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   1.744   0.893  -1.777
    3   1HB   ASP   1          2HB       ASP   1   4.095   0.185  -1.934
    4   2HB   ASP   1          3HB       ASP   1   3.798   0.929  -0.375
    5    HD2  ASP   1           HD2      ASP   1   5.911  -1.164  -0.969
    6    H    VAL   2           HN       VAL   2   1.440  -2.313  -0.264
    7    HA   VAL   2           HA       VAL   2   1.531  -3.606  -2.886
    8    HB   VAL   2           HB       VAL   2   1.765  -5.660  -1.676
    9   1HG1  VAL   2          1HG1      VAL   2   3.952  -5.291  -1.415
   10   2HG1  VAL   2          2HG1      VAL   2   3.624  -3.551  -1.598
   11   3HG1  VAL   2          3HG1      VAL   2   3.667  -4.283   0.024
   12   1HG2  VAL   2          1HG2      VAL   2   1.090  -3.982   0.740
   13   2HG2  VAL   2          2HG2      VAL   2   0.356  -5.507   0.188
   14   3HG2  VAL   2          3HG2      VAL   2   1.989  -5.510   0.897
   15    HA   PRO   3           HA       PRO   3  -2.852  -3.417  -2.580
   16   1HB   PRO   3          2HB       PRO   3  -3.372  -3.950  -5.209
   17   2HB   PRO   3          3HB       PRO   3  -3.084  -2.333  -4.598
   18   1HG   PRO   3          2HG       PRO   3  -1.279  -4.070  -6.168
   19   2HG   PRO   3          3HG       PRO   3  -1.191  -2.338  -5.916
   20   1HD   PRO   3          2HD       PRO   3   0.419  -4.341  -4.642
   21   2HD   PRO   3          3HD       PRO   3   0.426  -2.621  -4.307
   22    H    LYS   4           HN       LYS   4  -4.542  -4.849  -2.278
   23    HA   LYS   4           HA       LYS   4  -3.677  -7.502  -1.901
   24   1HB   LYS   4          2HB       LYS   4  -6.402  -6.184  -1.855
   25   2HB   LYS   4          3HB       LYS   4  -6.162  -7.883  -1.504
   26   1HG   LYS   4          2HG       LYS   4  -5.850  -7.163   0.648
   27   2HG   LYS   4          3HG       LYS   4  -4.225  -6.795   0.106
   28   1HD   LYS   4          2HD       LYS   4  -4.696  -4.482  -0.175
   29   2HD   LYS   4          3HD       LYS   4  -6.427  -4.744  -0.268
   30   1HE   LYS   4          2HE       LYS   4  -6.577  -5.223   2.108
   31   2HE   LYS   4          3HE       LYS   4  -4.835  -5.335   2.266
   32   1HZ   LYS   4          1HZ       LYS   4  -5.817  -2.807   1.216
   33   2HZ   LYS   4          2HZ       LYS   4  -6.197  -3.097   2.772
   34    H    SER   5           HN       SER   5  -4.733  -5.721  -4.684
   35    HA   SER   5           HA       SER   5  -5.899  -7.884  -6.045
   36   1HB   SER   5          2HB       SER   5  -5.391  -5.082  -6.504
   37   2HB   SER   5          3HB       SER   5  -4.799  -5.970  -7.894
   38    HG   SER   5           HG       SER   5  -6.849  -5.998  -8.508
   39    H    ASP   6           HN       ASP   6  -2.621  -6.884  -5.347
   40    HA   ASP   6           HA       ASP   6  -1.395  -7.986  -7.600
   41   1HB   ASP   6          2HB       ASP   6  -0.278  -6.366  -6.098
   42   2HB   ASP   6          3HB       ASP   6  -0.364  -7.502  -4.767
   43    HD2  ASP   6           HD2      ASP   6   0.800  -7.896  -8.080
   44    H    GLN   7           HN       GLN   7  -2.371  -9.190  -4.354
   45    HA   GLN   7           HA       GLN   7  -0.996 -11.641  -4.614
   46   1HB   GLN   7          2HB       GLN   7  -2.897 -10.390  -2.674
   47   2HB   GLN   7          3HB       GLN   7  -2.863 -12.142  -2.686
   48   1HG   GLN   7          2HG       GLN   7  -0.872 -12.178  -1.598
   49   2HG   GLN   7          3HG       GLN   7  -0.136 -11.137  -2.799
   50   1HE2  GLN   7          1HE2      GLN   7  -1.375 -11.414   0.346
   51   2HE2  GLN   7          2HE2      GLN   7  -1.238  -9.765   0.860
   52    H    PHE   8           HN       PHE   8  -3.958 -10.351  -5.879
   53    HA   PHE   8           HA       PHE   8  -5.289 -12.883  -6.087
   54   1HB   PHE   8          2HB       PHE   8  -5.682  -9.975  -6.710
   55   2HB   PHE   8          3HB       PHE   8  -6.465 -11.043  -7.857
   56    HD1  PHE   8           HD1      PHE   8  -6.836  -9.366  -4.801
   57    HD2  PHE   8           HD2      PHE   8  -7.910 -12.970  -6.768
   58    HE1  PHE   8           HE1      PHE   8  -8.763  -9.655  -3.219
   59    HE2  PHE   8           HE2      PHE   8  -9.836 -13.259  -5.186
   60    HZ   PHE   8           HZ       PHE   8 -10.240 -11.598  -3.430
   61    H    VAL   9           HN       VAL   9  -3.404 -10.666  -8.216
   62    HA   VAL   9           HA       VAL   9  -3.846 -12.341 -10.508
   63    HB   VAL   9           HB       VAL   9  -2.231 -10.747 -11.554
   64   1HG1  VAL   9          1HG1      VAL   9  -4.886 -10.429 -10.962
   65   2HG1  VAL   9          2HG1      VAL   9  -4.189  -8.930 -10.301
   66   3HG1  VAL   9          3HG1      VAL   9  -3.939  -9.349 -12.013
   67   1HG2  VAL   9          1HG2      VAL   9  -1.128  -9.114 -10.420
   68   2HG2  VAL   9          2HG2      VAL   9  -2.430  -8.910  -9.223
   69   3HG2  VAL   9          3HG2      VAL   9  -1.289 -10.268  -9.075
   70    H    GLY  10           HN       GLY  10  -1.574 -12.082  -7.834
   71   1HA   GLY  10          1HA       GLY  10   0.739 -13.142  -8.886
   72   2HA   GLY  10          2HA       GLY  10   0.171 -13.371  -7.244
   73    H    LEU  11           HN       LEU  11  -2.127 -14.908  -7.506
   74    HA   LEU  11           HA       LEU  11  -0.968 -17.431  -8.241
   75   1HB   LEU  11          2HB       LEU  11  -2.960 -18.378  -7.254
   76   2HB   LEU  11          3HB       LEU  11  -2.210 -17.211  -6.184
   77    HG   LEU  11           HG       LEU  11  -3.945 -15.529  -7.111
   78   1HD1  LEU  11          1HD1      LEU  11  -6.012 -17.422  -7.537
   79   2HD1  LEU  11          2HD1      LEU  11  -5.354 -16.221  -8.674
   80   3HD1  LEU  11          3HD1      LEU  11  -4.662 -17.860  -8.612
   81   1HD2  LEU  11          1HD2      LEU  11  -4.408 -15.894  -4.943
   82   2HD2  LEU  11          2HD2      LEU  11  -5.743 -16.881  -5.584
   83   3HD2  LEU  11          3HD2      LEU  11  -4.221 -17.658  -5.087
   84    H    MET  12           HN       MET  12  -3.701 -15.325  -9.324
   85    HA   MET  12           HA       MET  12  -4.537 -17.093 -11.311
   86   1HB   MET  12          2HB       MET  12  -5.501 -14.782 -10.180
   87   2HB   MET  12          3HB       MET  12  -4.881 -14.119 -11.680
   88   1HG   MET  12          2HG       MET  12  -6.957 -14.721 -12.482
   89   2HG   MET  12          3HG       MET  12  -6.193 -16.284 -12.690
   90   1HE   MET  12          1HE       MET  12  -7.345 -14.000 -10.082
   91   2HE   MET  12          2HE       MET  12  -9.029 -14.545  -9.900
   92   3HE   MET  12          3HE       MET  12  -7.794 -15.065  -8.729
  Start of MODEL   15
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   1.712   0.868  -1.797
    3   1HB   ASP   1          2HB       ASP   1   4.106  -0.038  -1.926
    4   2HB   ASP   1          3HB       ASP   1   3.798   1.127  -0.654
    5    HD2  ASP   1           HD2      ASP   1   5.250  -1.044   1.553
    6    H    VAL   2           HN       VAL   2   2.328  -0.448  -3.785
    7    HA   VAL   2           HA       VAL   2   1.215  -3.144  -3.563
    8    HB   VAL   2           HB       VAL   2   0.770  -2.978  -5.903
    9   1HG1  VAL   2          1HG1      VAL   2  -0.632  -1.671  -4.119
   10   2HG1  VAL   2          2HG1      VAL   2   0.015  -0.230  -4.939
   11   3HG1  VAL   2          3HG1      VAL   2  -0.946  -1.418  -5.853
   12   1HG2  VAL   2          1HG2      VAL   2   1.322  -0.782  -7.111
   13   2HG2  VAL   2          2HG2      VAL   2   2.479  -0.486  -5.790
   14   3HG2  VAL   2          3HG2      VAL   2   2.662  -1.920  -6.829
   15    HA   PRO   3           HA       PRO   3   5.419  -4.373  -3.964
   16   1HB   PRO   3          2HB       PRO   3   5.068  -6.957  -3.146
   17   2HB   PRO   3          3HB       PRO   3   5.375  -5.635  -2.038
   18   1HG   PRO   3          2HG       PRO   3   2.837  -7.052  -2.574
   19   2HG   PRO   3          3HG       PRO   3   3.265  -6.046  -1.204
   20   1HD   PRO   3          2HD       PRO   3   1.594  -5.312  -3.417
   21   2HD   PRO   3          3HD       PRO   3   2.116  -4.271  -2.108
   22    H    LYS   4           HN       LYS   4   6.727  -5.513  -5.427
   23    HA   LYS   4           HA       LYS   4   5.454  -5.918  -7.882
   24   1HB   LYS   4          2HB       LYS   4   7.604  -6.598  -8.675
   25   2HB   LYS   4          3HB       LYS   4   7.839  -5.281  -7.543
   26   1HG   LYS   4          2HG       LYS   4   7.858  -7.935  -6.232
   27   2HG   LYS   4          3HG       LYS   4   9.114  -7.768  -7.443
   28   1HD   LYS   4          2HD       LYS   4  10.197  -6.040  -6.298
   29   2HD   LYS   4          3HD       LYS   4   8.724  -5.468  -5.540
   30   1HE   LYS   4          2HE       LYS   4   8.756  -7.759  -4.248
   31   2HE   LYS   4          3HE       LYS   4  10.428  -7.862  -4.763
   32   1HZ   LYS   4          1HZ       LYS   4  10.006  -6.721  -2.552
   33   2HZ   LYS   4          2HZ       LYS   4  10.945  -5.882  -3.584
   34    H    SER   5           HN       SER   5   5.610  -7.863  -5.036
   35    HA   SER   5           HA       SER   5   5.574 -10.365  -6.311
   36   1HB   SER   5          2HB       SER   5   4.999 -11.247  -4.106
   37   2HB   SER   5          3HB       SER   5   6.234 -10.016  -3.930
   38    HG   SER   5           HG       SER   5   3.928  -8.688  -3.761
   39    H    ASP   6           HN       ASP   6   3.134  -7.931  -5.398
   40    HA   ASP   6           HA       ASP   6   0.888  -9.452  -5.388
   41   1HB   ASP   6          2HB       ASP   6   0.967  -7.029  -4.851
   42   2HB   ASP   6          3HB       ASP   6   1.300  -6.648  -6.528
   43    HD2  ASP   6           HD2      ASP   6  -1.039  -5.914  -7.475
   44    H    GLN   7           HN       GLN   7   2.720  -7.980  -8.139
   45    HA   GLN   7           HA       GLN   7   0.841  -8.738 -10.083
   46   1HB   GLN   7          2HB       GLN   7   3.382  -7.328  -9.959
   47   2HB   GLN   7          3HB       GLN   7   3.399  -8.452 -11.304
   48   1HG   GLN   7          2HG       GLN   7   0.874  -6.882 -10.985
   49   2HG   GLN   7          3HG       GLN   7   2.289  -5.943 -11.417
   50   1HE2  GLN   7          1HE2      GLN   7  -0.197  -6.802 -12.868
   51   2HE2  GLN   7          2HE2      GLN   7   0.341  -7.497 -14.360
   52    H    PHE   8           HN       PHE   8   3.407 -10.395  -8.368
   53    HA   PHE   8           HA       PHE   8   3.775 -12.404 -10.381
   54   1HB   PHE   8          2HB       PHE   8   4.768 -11.603  -7.666
   55   2HB   PHE   8          3HB       PHE   8   4.756 -13.337  -7.918
   56    HD1  PHE   8           HD1      PHE   8   5.570 -13.735 -10.631
   57    HD2  PHE   8           HD2      PHE   8   6.914 -10.801  -7.876
   58    HE1  PHE   8           HE1      PHE   8   7.747 -13.571 -11.869
   59    HE2  PHE   8           HE2      PHE   8   9.092 -10.637  -9.114
   60    HZ   PHE   8           HZ       PHE   8   9.482 -12.024 -11.095
   61    H    VAL   9           HN       VAL   9   2.016 -12.038  -7.255
   62    HA   VAL   9           HA       VAL   9   1.125 -14.768  -7.330
   63    HB   VAL   9           HB       VAL   9  -0.203 -14.031  -5.348
   64   1HG1  VAL   9          1HG1      VAL   9   1.582 -14.615  -4.140
   65   2HG1  VAL   9          2HG1      VAL   9   2.563 -14.460  -5.617
   66   3HG1  VAL   9          3HG1      VAL   9   2.402 -13.079  -4.505
   67   1HG2  VAL   9          1HG2      VAL   9  -0.394 -11.885  -4.683
   68   2HG2  VAL   9          2HG2      VAL   9   1.295 -11.499  -5.091
   69   3HG2  VAL   9          3HG2      VAL   9   0.050 -11.502  -6.363
   70    H    GLY  10           HN       GLY  10   0.098 -11.629  -8.541
   71   1HA   GLY  10          1HA       GLY  10  -2.671 -12.096  -8.734
   72   2HA   GLY  10          2HA       GLY  10  -1.724 -10.962  -9.676
   73    H    LEU  11           HN       LEU  11   0.105 -12.767 -10.961
   74    HA   LEU  11           HA       LEU  11  -1.668 -13.794 -12.973
   75   1HB   LEU  11          2HB       LEU  11   0.357 -14.208 -14.226
   76   2HB   LEU  11          3HB       LEU  11   0.313 -12.571 -13.603
   77    HG   LEU  11           HG       LEU  11   1.791 -13.467 -11.677
   78   1HD1  LEU  11          1HD1      LEU  11   3.060 -15.448 -13.346
   79   2HD1  LEU  11          2HD1      LEU  11   2.465 -15.580 -11.674
   80   3HD1  LEU  11          3HD1      LEU  11   1.364 -15.889 -13.037
   81   1HD2  LEU  11          1HD2      LEU  11   3.253 -12.204 -12.763
   82   2HD2  LEU  11          2HD2      LEU  11   3.660 -13.591 -13.802
   83   3HD2  LEU  11          3HD2      LEU  11   2.378 -12.457 -14.293
   84    H    MET  12           HN       MET  12   0.715 -15.100 -10.588
   85    HA   MET  12           HA       MET  12   0.267 -17.757 -11.392
   86   1HB   MET  12          2HB       MET  12   2.157 -16.435  -9.887
   87   2HB   MET  12          3HB       MET  12   1.202 -17.138  -8.596
   88   1HG   MET  12          2HG       MET  12   1.709 -19.349  -9.227
   89   2HG   MET  12          3HG       MET  12   2.000 -18.921 -10.902
   90   1HE   MET  12          1HE       MET  12   3.578 -17.371 -11.633
   91   2HE   MET  12          2HE       MET  12   4.708 -16.474 -10.590
   92   3HE   MET  12          3HE       MET  12   5.250 -17.947 -11.431
  Start of MODEL   16
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   2.007   1.022  -1.620
    3   1HB   ASP   1          2HB       ASP   1   3.797  -0.159   0.019
    4   2HB   ASP   1          3HB       ASP   1   3.621  -1.478  -1.122
    5    HD2  ASP   1           HD2      ASP   1   5.269   1.301  -0.541
    6    H    VAL   2           HN       VAL   2   2.722  -0.427  -3.718
    7    HA   VAL   2           HA       VAL   2   0.511  -2.298  -4.121
    8    HB   VAL   2           HB       VAL   2   1.118  -1.944  -6.543
    9   1HG1  VAL   2          1HG1      VAL   2  -0.755  -0.790  -5.328
   10   2HG1  VAL   2          2HG1      VAL   2   0.343   0.585  -5.057
   11   3HG1  VAL   2          3HG1      VAL   2  -0.104   0.116  -6.715
   12   1HG2  VAL   2          1HG2      VAL   2   3.413  -0.790  -5.524
   13   2HG2  VAL   2          2HG2      VAL   2   2.825  -0.641  -7.198
   14   3HG2  VAL   2          3HG2      VAL   2   2.438   0.620  -6.002
   15    HA   PRO   3           HA       PRO   3   3.681  -5.332  -3.834
   16   1HB   PRO   3          2HB       PRO   3   2.027  -7.480  -3.489
   17   2HB   PRO   3          3HB       PRO   3   2.606  -6.494  -2.161
   18   1HG   PRO   3          2HG       PRO   3  -0.077  -6.543  -3.401
   19   2HG   PRO   3          3HG       PRO   3   0.400  -5.901  -1.842
   20   1HD   PRO   3          2HD       PRO   3  -0.164  -4.396  -4.217
   21   2HD   PRO   3          3HD       PRO   3   0.424  -3.765  -2.692
   22    H    LYS   4           HN       LYS   4   4.667  -6.889  -5.154
   23    HA   LYS   4           HA       LYS   4   3.857  -6.606  -7.851
   24   1HB   LYS   4          2HB       LYS   4   5.737  -8.065  -8.334
   25   2HB   LYS   4          3HB       LYS   4   6.202  -6.836  -7.175
   26   1HG   LYS   4          2HG       LYS   4   7.098  -8.758  -6.178
   27   2HG   LYS   4          3HG       LYS   4   5.552  -8.643  -5.360
   28   1HD   LYS   4          2HD       LYS   4   4.775 -10.574  -6.305
   29   2HD   LYS   4          3HD       LYS   4   5.355 -10.135  -7.899
   30   1HE   LYS   4          2HE       LYS   4   6.718 -11.981  -7.428
   31   2HE   LYS   4          3HE       LYS   4   7.749 -10.669  -6.896
   32   1HZ   LYS   4          1HZ       LYS   4   6.440 -12.686  -5.301
   33   2HZ   LYS   4          2HZ       LYS   4   7.770 -11.811  -4.957
   34    H    SER   5           HN       SER   5   2.911  -8.688  -5.231
   35    HA   SER   5           HA       SER   5   2.213 -10.903  -6.810
   36   1HB   SER   5          2HB       SER   5   1.074 -11.710  -4.804
   37   2HB   SER   5          3HB       SER   5   2.615 -11.010  -4.351
   38    HG   SER   5           HG       SER   5   0.557  -9.127  -4.349
   39    H    ASP   6           HN       ASP   6   0.633  -7.856  -5.847
   40    HA   ASP   6           HA       ASP   6  -1.973  -8.497  -6.268
   41   1HB   ASP   6          2HB       ASP   6  -1.165  -6.315  -5.398
   42   2HB   ASP   6          3HB       ASP   6  -0.493  -5.917  -6.967
   43    HD2  ASP   6           HD2      ASP   6  -2.504  -4.221  -7.927
   44    H    GLN   7           HN       GLN   7   0.653  -7.625  -8.578
   45    HA   GLN   7           HA       GLN   7  -1.081  -7.459 -10.799
   46   1HB   GLN   7          2HB       GLN   7   1.869  -7.345 -10.310
   47   2HB   GLN   7          3HB       GLN   7   1.377  -7.813 -11.925
   48   1HG   GLN   7          2HG       GLN   7   0.047  -5.772 -12.187
   49   2HG   GLN   7          3HG       GLN   7   0.287  -5.340 -10.506
   50   1HE2  GLN   7          1HE2      GLN   7   2.137  -4.387  -9.837
   51   2HE2  GLN   7          2HE2      GLN   7   3.417  -3.867 -10.882
   52    H    PHE   8           HN       PHE   8   0.506 -10.046  -9.051
   53    HA   PHE   8           HA       PHE   8   0.472 -11.876 -11.259
   54   1HB   PHE   8          2HB       PHE   8   1.269 -11.708  -8.372
   55   2HB   PHE   8          3HB       PHE   8   0.715 -13.300  -8.849
   56    HD1  PHE   8           HD1      PHE   8   2.277 -14.785  -9.667
   57    HD2  PHE   8           HD2      PHE   8   3.024 -10.626 -10.066
   58    HE1  PHE   8           HE1      PHE   8   4.540 -15.283 -10.633
   59    HE2  PHE   8           HE2      PHE   8   5.286 -11.125 -11.031
   60    HZ   PHE   8           HZ       PHE   8   6.017 -13.447 -11.303
   61    H    VAL   9           HN       VAL   9  -1.499 -11.191  -8.319
   62    HA   VAL   9           HA       VAL   9  -3.230 -13.422  -8.846
   63    HB   VAL   9           HB       VAL   9  -4.509 -12.441  -6.938
   64   1HG1  VAL   9          1HG1      VAL   9  -3.055 -14.105  -6.252
   65   2HG1  VAL   9          2HG1      VAL   9  -1.608 -13.203  -6.759
   66   3HG1  VAL   9          3HG1      VAL   9  -2.485 -12.722  -5.287
   67   1HG2  VAL   9          1HG2      VAL   9  -3.045 -10.116  -7.578
   68   2HG2  VAL   9          2HG2      VAL   9  -4.173 -10.355  -6.222
   69   3HG2  VAL   9          3HG2      VAL   9  -2.434 -10.662  -5.997
   70    H    GLY  10           HN       GLY  10  -2.960 -10.031  -9.740
   71   1HA   GLY  10          1HA       GLY  10  -5.563  -9.290 -10.210
   72   2HA   GLY  10          2HA       GLY  10  -4.179  -8.778 -11.156
   73    H    LEU  11           HN       LEU  11  -3.354 -11.274 -12.288
   74    HA   LEU  11           HA       LEU  11  -5.368 -11.502 -14.323
   75   1HB   LEU  11          2HB       LEU  11  -3.729 -12.850 -15.478
   76   2HB   LEU  11          3HB       LEU  11  -3.038 -11.337 -14.926
   77    HG   LEU  11           HG       LEU  11  -2.155 -12.696 -12.908
   78   1HD1  LEU  11          1HD1      LEU  11  -3.572 -14.750 -14.265
   79   2HD1  LEU  11          2HD1      LEU  11  -1.836 -15.129 -14.372
   80   3HD1  LEU  11          3HD1      LEU  11  -2.592 -14.864 -12.783
   81   1HD2  LEU  11          1HD2      LEU  11  -0.582 -11.815 -14.401
   82   2HD2  LEU  11          2HD2      LEU  11  -0.215 -13.556 -14.348
   83   3HD2  LEU  11          3HD2      LEU  11  -1.107 -12.877 -15.730
   84    H    MET  12           HN       MET  12  -3.867 -13.609 -11.796
   85    HA   MET  12           HA       MET  12  -5.812 -15.642 -12.448
   86   1HB   MET  12          2HB       MET  12  -3.584 -16.496 -12.082
   87   2HB   MET  12          3HB       MET  12  -3.328 -15.470 -10.685
   88   1HG   MET  12          2HG       MET  12  -5.622 -17.389 -10.481
   89   2HG   MET  12          3HG       MET  12  -4.025 -18.112 -10.507
   90   1HE   MET  12          1HE       MET  12  -2.156 -16.688  -9.550
   91   2HE   MET  12          2HE       MET  12  -2.424 -15.313  -8.451
   92   3HE   MET  12          3HE       MET  12  -2.096 -16.932  -7.788
  Start of MODEL   17
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   1.893   0.980  -1.688
    3   1HB   ASP   1          2HB       ASP   1   3.718  -0.381   0.076
    4   2HB   ASP   1          3HB       ASP   1   3.882  -1.121  -1.504
    5    HD2  ASP   1           HD2      ASP   1   5.645   1.514  -2.791
    6    H    VAL   2           HN       VAL   2   0.658  -2.049  -0.530
    7    HA   VAL   2           HA       VAL   2   0.877  -3.296  -3.167
    8    HB   VAL   2           HB       VAL   2  -0.021  -5.290  -1.872
    9   1HG1  VAL   2          1HG1      VAL   2   2.386  -5.229  -0.511
   10   2HG1  VAL   2          2HG1      VAL   2   2.153  -5.746  -2.198
   11   3HG1  VAL   2          3HG1      VAL   2   2.649  -4.075  -1.841
   12   1HG2  VAL   2          1HG2      VAL   2  -0.116  -5.306   0.447
   13   2HG2  VAL   2          2HG2      VAL   2   0.932  -3.875   0.607
   14   3HG2  VAL   2          3HG2      VAL   2  -0.753  -3.688   0.064
   15    HA   PRO   3           HA       PRO   3  -3.264  -1.888  -3.628
   16   1HB   PRO   3          2HB       PRO   3  -3.413  -2.238  -6.334
   17   2HB   PRO   3          3HB       PRO   3  -2.810  -0.771  -5.589
   18   1HG   PRO   3          2HG       PRO   3  -1.293  -2.935  -6.914
   19   2HG   PRO   3          3HG       PRO   3  -0.781  -1.299  -6.551
   20   1HD   PRO   3          2HD       PRO   3  -0.049  -3.682  -5.131
   21   2HD   PRO   3          3HD       PRO   3   0.369  -2.035  -4.701
   22    H    LYS   4           HN       LYS   4  -5.372  -2.737  -4.423
   23    HA   LYS   4           HA       LYS   4  -5.527  -5.432  -3.588
   24   1HB   LYS   4          2HB       LYS   4  -7.903  -5.209  -4.102
   25   2HB   LYS   4          3HB       LYS   4  -7.322  -3.832  -3.188
   26   1HG   LYS   4          2HG       LYS   4  -8.501  -2.719  -4.856
   27   2HG   LYS   4          3HG       LYS   4  -6.919  -2.777  -5.608
   28   1HD   LYS   4          2HD       LYS   4  -7.788  -3.944  -7.343
   29   2HD   LYS   4          3HD       LYS   4  -8.202  -5.253  -6.254
   30   1HE   LYS   4          2HE       LYS   4 -10.381  -4.796  -6.721
   31   2HE   LYS   4          3HE       LYS   4 -10.201  -3.363  -5.729
   32   1HZ   LYS   4          1HZ       LYS   4 -10.101  -2.037  -7.565
   33   2HZ   LYS   4          2HZ       LYS   4  -9.254  -3.096  -8.466
   34    H    SER   5           HN       SER   5  -4.781  -3.870  -6.607
   35    HA   SER   5           HA       SER   5  -5.760  -5.906  -8.276
   36   1HB   SER   5          2HB       SER   5  -4.495  -4.783 -10.039
   37   2HB   SER   5          3HB       SER   5  -5.284  -3.579  -9.038
   38    HG   SER   5           HG       SER   5  -3.262  -2.765  -9.096
   39    H    ASP   6           HN       ASP   6  -2.746  -5.321  -6.463
   40    HA   ASP   6           HA       ASP   6  -1.037  -6.960  -7.786
   41   1HB   ASP   6          2HB       ASP   6  -0.423  -5.521  -5.859
   42   2HB   ASP   6          3HB       ASP   6  -1.347  -6.543  -4.776
   43    HD2  ASP   6           HD2      ASP   6   1.532  -8.334  -6.691
   44    H    GLN   7           HN       GLN   7  -3.527  -7.701  -5.265
   45    HA   GLN   7           HA       GLN   7  -2.819 -10.408  -5.046
   46   1HB   GLN   7          2HB       GLN   7  -5.062  -8.654  -4.104
   47   2HB   GLN   7          3HB       GLN   7  -5.369 -10.379  -4.122
   48   1HG   GLN   7          2HG       GLN   7  -3.668 -10.843  -2.551
   49   2HG   GLN   7          3HG       GLN   7  -2.778  -9.379  -2.922
   50   1HE2  GLN   7          1HE2      GLN   7  -2.817  -9.369  -0.509
   51   2HE2  GLN   7          2HE2      GLN   7  -4.106  -8.531   0.288
   52    H    PHE   8           HN       PHE   8  -4.697  -8.544  -7.341
   53    HA   PHE   8           HA       PHE   8  -6.249 -10.780  -8.244
   54   1HB   PHE   8          2HB       PHE   8  -5.844  -7.852  -8.759
   55   2HB   PHE   8          3HB       PHE   8  -6.268  -8.759 -10.197
   56    HD1  PHE   8           HD1      PHE   8  -7.581  -6.926  -7.569
   57    HD2  PHE   8           HD2      PHE   8  -8.306 -10.478  -9.775
   58    HE1  PHE   8           HE1      PHE   8 -10.001  -6.841  -6.910
   59    HE2  PHE   8           HE2      PHE   8 -10.727 -10.393  -9.115
   60    HZ   PHE   8           HZ       PHE   8 -11.545  -8.575  -7.691
   61    H    VAL   9           HN       VAL   9  -3.310  -8.966  -9.282
   62    HA   VAL   9           HA       VAL   9  -3.071 -10.538 -11.674
   63    HB   VAL   9           HB       VAL   9  -0.923  -9.281 -11.877
   64   1HG1  VAL   9          1HG1      VAL   9  -2.798  -8.369 -13.004
   65   2HG1  VAL   9          2HG1      VAL   9  -3.532  -7.795 -11.488
   66   3HG1  VAL   9          3HG1      VAL   9  -2.064  -7.010 -12.119
   67   1HG2  VAL   9          1HG2      VAL   9  -0.087  -7.919 -10.271
   68   2HG2  VAL   9          2HG2      VAL   9  -1.698  -7.402  -9.717
   69   3HG2  VAL   9          3HG2      VAL   9  -1.033  -8.965  -9.185
   70    H    GLY  10           HN       GLY  10  -2.066 -10.698  -8.307
   71   1HA   GLY  10          1HA       GLY  10   0.236 -12.271  -8.545
   72   2HA   GLY  10          2HA       GLY  10  -0.841 -12.195  -7.165
   73    H    LEU  11           HN       LEU  11  -3.268 -13.172  -8.214
   74    HA   LEU  11           HA       LEU  11  -2.614 -15.964  -8.377
   75   1HB   LEU  11          2HB       LEU  11  -4.998 -16.303  -8.168
   76   2HB   LEU  11          3HB       LEU  11  -4.397 -15.210  -6.937
   77    HG   LEU  11           HG       LEU  11  -5.202 -13.311  -8.499
   78   1HD1  LEU  11          1HD1      LEU  11  -5.806 -15.495 -10.158
   79   2HD1  LEU  11          2HD1      LEU  11  -7.371 -14.889  -9.566
   80   3HD1  LEU  11          3HD1      LEU  11  -6.248 -13.787 -10.397
   81   1HD2  LEU  11          1HD2      LEU  11  -7.649 -13.770  -7.680
   82   2HD2  LEU  11          2HD2      LEU  11  -6.889 -15.123  -6.808
   83   3HD2  LEU  11          3HD2      LEU  11  -6.347 -13.454  -6.509
   84    H    MET  12           HN       MET  12  -4.153 -13.449 -10.471
   85    HA   MET  12           HA       MET  12  -4.631 -15.244 -12.565
   86   1HB   MET  12          2HB       MET  12  -5.578 -12.821 -12.021
   87   2HB   MET  12          3HB       MET  12  -4.177 -12.246 -12.903
   88   1HG   MET  12          2HG       MET  12  -5.568 -12.437 -14.726
   89   2HG   MET  12          3HG       MET  12  -5.077 -14.119 -14.680
   90   1HE   MET  12          1HE       MET  12  -7.950 -16.027 -13.193
   91   2HE   MET  12          2HE       MET  12  -6.269 -15.982 -13.776
   92   3HE   MET  12          3HE       MET  12  -6.657 -15.413 -12.135
  Start of MODEL   18
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   1.824   0.944  -1.729
    3   1HB   ASP   1          2HB       ASP   1   3.798  -1.077  -0.568
    4   2HB   ASP   1          3HB       ASP   1   4.102  -0.027  -1.937
    5    HD2  ASP   1           HD2      ASP   1   3.935   2.792  -0.484
    6    H    VAL   2           HN       VAL   2   1.898  -0.146  -3.827
    7    HA   VAL   2           HA       VAL   2   0.754  -2.836  -3.736
    8    HB   VAL   2           HB       VAL   2   0.285  -2.273  -6.184
    9   1HG1  VAL   2          1HG1      VAL   2  -1.718  -0.919  -5.583
   10   2HG1  VAL   2          2HG1      VAL   2  -1.476  -2.329  -4.523
   11   3HG1  VAL   2          3HG1      VAL   2  -1.041  -0.700  -3.951
   12   1HG2  VAL   2          1HG2      VAL   2   0.671  -0.214  -7.045
   13   2HG2  VAL   2          2HG2      VAL   2   0.354   0.612  -5.500
   14   3HG2  VAL   2          3HG2      VAL   2   1.934  -0.155  -5.792
   15    HA   PRO   3           HA       PRO   3   4.796  -4.057  -4.967
   16   1HB   PRO   3          2HB       PRO   3   4.505  -6.715  -4.402
   17   2HB   PRO   3          3HB       PRO   3   5.030  -5.536  -3.217
   18   1HG   PRO   3          2HG       PRO   3   2.396  -6.851  -3.481
   19   2HG   PRO   3          3HG       PRO   3   3.074  -6.018  -2.096
   20   1HD   PRO   3          2HD       PRO   3   1.086  -5.010  -3.901
   21   2HD   PRO   3          3HD       PRO   3   1.847  -4.136  -2.587
   22    H    LYS   4           HN       LYS   4   5.638  -4.472  -6.926
   23    HA   LYS   4           HA       LYS   4   3.710  -5.247  -8.906
   24   1HB   LYS   4          2HB       LYS   4   5.465  -4.755 -10.493
   25   2HB   LYS   4          3HB       LYS   4   5.360  -3.465  -9.313
   26   1HG   LYS   4          2HG       LYS   4   7.674  -3.826  -9.379
   27   2HG   LYS   4          3HG       LYS   4   7.216  -4.827  -8.016
   28   1HD   LYS   4          2HD       LYS   4   7.598  -6.811  -9.154
   29   2HD   LYS   4          3HD       LYS   4   7.089  -6.155 -10.697
   30   1HE   LYS   4          2HE       LYS   4   9.352  -4.651 -10.243
   31   2HE   LYS   4          3HE       LYS   4   9.793  -6.137  -9.427
   32   1HZ   LYS   4          1HZ       LYS   4  10.121  -5.828 -12.029
   33   2HZ   LYS   4          2HZ       LYS   4   9.794  -7.292 -11.394
   34    H    SER   5           HN       SER   5   6.021  -6.806  -6.816
   35    HA   SER   5           HA       SER   5   6.571  -8.977  -8.512
   36   1HB   SER   5          2HB       SER   5   7.564 -10.004  -6.530
   37   2HB   SER   5          3HB       SER   5   8.005  -8.309  -6.583
   38    HG   SER   5           HG       SER   5   6.209  -9.663  -4.819
   39    H    ASP   6           HN       ASP   6   4.016  -8.156  -6.165
   40    HA   ASP   6           HA       ASP   6   3.030 -10.625  -5.620
   41   1HB   ASP   6          2HB       ASP   6   2.219  -8.508  -4.603
   42   2HB   ASP   6          3HB       ASP   6   1.510  -8.025  -6.131
   43    HD2  ASP   6           HD2      ASP   6  -0.285  -7.982  -4.360
   44    H    GLN   7           HN       GLN   7   2.527  -8.456  -8.461
   45    HA   GLN   7           HA       GLN   7   0.536 -10.083  -9.613
   46   1HB   GLN   7          2HB       GLN   7   2.033  -7.618 -10.315
   47   2HB   GLN   7          3HB       GLN   7   1.562  -8.581 -11.701
   48   1HG   GLN   7          2HG       GLN   7  -0.734  -8.608 -10.076
   49   2HG   GLN   7          3HG       GLN   7  -0.116  -6.980  -9.880
   50   1HE2  GLN   7          1HE2      GLN   7  -1.953  -6.219 -10.983
   51   2HE2  GLN   7          2HE2      GLN   7  -2.077  -6.269 -12.710
   52    H    PHE   8           HN       PHE   8   4.037 -10.146  -9.492
   53    HA   PHE   8           HA       PHE   8   4.325 -11.683 -11.897
   54   1HB   PHE   8          2HB       PHE   8   5.952 -10.460  -9.693
   55   2HB   PHE   8          3HB       PHE   8   6.635 -11.947 -10.319
   56    HD1  PHE   8           HD1      PHE   8   6.771 -12.068 -12.962
   57    HD2  PHE   8           HD2      PHE   8   6.517  -8.472 -10.724
   58    HE1  PHE   8           HE1      PHE   8   7.768 -10.801 -14.885
   59    HE2  PHE   8           HE2      PHE   8   7.514  -7.204 -12.647
   60    HZ   PHE   8           HZ       PHE   8   8.128  -8.384 -14.704
   61    H    VAL   9           HN       VAL   9   4.261 -12.263  -8.340
   62    HA   VAL   9           HA       VAL   9   4.829 -15.057  -8.691
   63    HB   VAL   9           HB       VAL   9   4.382 -15.102  -6.231
   64   1HG1  VAL   9          1HG1      VAL   9   6.313 -12.879  -6.526
   65   2HG1  VAL   9          2HG1      VAL   9   6.525 -14.504  -5.831
   66   3HG1  VAL   9          3HG1      VAL   9   6.591 -14.274  -7.595
   67   1HG2  VAL   9          1HG2      VAL   9   4.524 -12.233  -5.830
   68   2HG2  VAL   9          2HG2      VAL   9   3.062 -12.676  -6.743
   69   3HG2  VAL   9          3HG2      VAL   9   3.380 -13.419  -5.158
   70    H    GLY  10           HN       GLY  10   2.031 -12.928  -8.639
   71   1HA   GLY  10          1HA       GLY  10  -0.011 -14.477  -7.729
   72   2HA   GLY  10          2HA       GLY  10  -0.135 -13.369  -9.081
   73    H    LEU  11           HN       LEU  11   1.352 -14.488 -11.106
   74    HA   LEU  11           HA       LEU  11  -0.339 -16.550 -11.985
   75   1HB   LEU  11          2HB       LEU  11   1.175 -16.645 -13.907
   76   2HB   LEU  11          3HB       LEU  11   0.637 -15.021 -13.529
   77    HG   LEU  11           HG       LEU  11   2.884 -14.775 -12.268
   78   1HD1  LEU  11          1HD1      LEU  11   4.289 -16.553 -14.041
   79   2HD1  LEU  11          2HD1      LEU  11   4.344 -16.444 -12.265
   80   3HD1  LEU  11          3HD1      LEU  11   3.124 -17.471 -13.057
   81   1HD2  LEU  11          1HD2      LEU  11   2.055 -14.169 -14.843
   82   2HD2  LEU  11          2HD2      LEU  11   3.493 -13.529 -14.011
   83   3HD2  LEU  11          3HD2      LEU  11   3.639 -14.946 -15.079
   84    H    MET  12           HN       MET  12   3.068 -16.517 -10.761
   85    HA   MET  12           HA       MET  12   3.001 -19.408 -10.781
   86   1HB   MET  12          2HB       MET  12   5.445 -19.169 -10.258
   87   2HB   MET  12          3HB       MET  12   5.011 -18.235 -11.676
   88   1HG   MET  12          2HG       MET  12   4.948 -16.159 -10.382
   89   2HG   MET  12          3HG       MET  12   5.113 -17.031  -8.871
   90   1HE   MET  12          1HE       MET  12   7.752 -14.825 -10.951
   91   2HE   MET  12          2HE       MET  12   7.975 -16.120 -12.152
   92   3HE   MET  12          3HE       MET  12   6.340 -15.525 -11.778
  Start of MODEL   19
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   1.792   0.925  -1.748
    3   1HB   ASP   1          2HB       ASP   1   3.877  -1.071  -0.806
    4   2HB   ASP   1          3HB       ASP   1   4.099   0.294  -1.882
    5    HD2  ASP   1           HD2      ASP   1   5.501   1.167   1.347
    6    H    VAL   2           HN       VAL   2   1.397  -0.105  -3.745
    7    HA   VAL   2           HA       VAL   2   0.753  -2.954  -3.594
    8    HB   VAL   2           HB       VAL   2  -0.298  -2.420  -5.858
    9   1HG1  VAL   2          1HG1      VAL   2  -1.929  -0.787  -4.140
   10   2HG1  VAL   2          2HG1      VAL   2  -2.178  -2.471  -4.661
   11   3HG1  VAL   2          3HG1      VAL   2  -1.230  -2.124  -3.195
   12   1HG2  VAL   2          1HG2      VAL   2  -0.431  -0.307  -6.663
   13   2HG2  VAL   2          2HG2      VAL   2  -0.554   0.420  -5.043
   14   3HG2  VAL   2          3HG2      VAL   2   1.035  -0.062  -5.684
   15    HA   PRO   3           HA       PRO   3   4.600  -3.427  -5.672
   16   1HB   PRO   3          2HB       PRO   3   4.867  -6.110  -5.227
   17   2HB   PRO   3          3HB       PRO   3   5.425  -4.891  -4.098
   18   1HG   PRO   3          2HG       PRO   3   3.043  -6.633  -3.918
   19   2HG   PRO   3          3HG       PRO   3   3.845  -5.734  -2.645
   20   1HD   PRO   3          2HD       PRO   3   1.392  -5.034  -3.957
   21   2HD   PRO   3          3HD       PRO   3   2.254  -4.079  -2.767
   22    H    LYS   4           HN       LYS   4   4.805  -3.337  -7.810
   23    HA   LYS   4           HA       LYS   4   2.760  -4.436  -9.402
   24   1HB   LYS   4          2HB       LYS   4   4.050  -3.624 -11.263
   25   2HB   LYS   4          3HB       LYS   4   4.088  -2.429  -9.983
   26   1HG   LYS   4          2HG       LYS   4   6.298  -4.209  -9.528
   27   2HG   LYS   4          3HG       LYS   4   6.309  -3.808 -11.234
   28   1HD   LYS   4          2HD       LYS   4   5.776  -1.339 -10.034
   29   2HD   LYS   4          3HD       LYS   4   6.878  -2.086  -8.895
   30   1HE   LYS   4          2HE       LYS   4   7.990  -2.664 -11.436
   31   2HE   LYS   4          3HE       LYS   4   7.429  -1.010 -11.569
   32   1HZ   LYS   4          1HZ       LYS   4   8.823  -1.600  -9.098
   33   2HZ   LYS   4          2HZ       LYS   4   9.758  -1.699 -10.427
   34    H    SER   5           HN       SER   5   5.548  -5.797  -7.865
   35    HA   SER   5           HA       SER   5   6.074  -7.772  -9.791
   36   1HB   SER   5          2HB       SER   5   7.481  -8.782  -8.068
   37   2HB   SER   5          3HB       SER   5   7.705  -7.044  -8.048
   38    HG   SER   5           HG       SER   5   6.560  -8.739  -6.107
   39    H    ASP   6           HN       ASP   6   3.841  -7.429  -7.034
   40    HA   ASP   6           HA       ASP   6   3.254 -10.035  -6.545
   41   1HB   ASP   6          2HB       ASP   6   2.369  -8.109  -5.251
   42   2HB   ASP   6          3HB       ASP   6   1.378  -7.625  -6.612
   43    HD2  ASP   6           HD2      ASP   6   0.309 -10.798  -4.413
   44    H    GLN   7           HN       GLN   7   2.049  -7.780  -9.094
   45    HA   GLN   7           HA       GLN   7   0.108  -9.579 -10.060
   46   1HB   GLN   7          2HB       GLN   7   1.202  -6.914 -10.821
   47   2HB   GLN   7          3HB       GLN   7   0.554  -7.851 -12.153
   48   1HG   GLN   7          2HG       GLN   7  -1.609  -8.077 -11.050
   49   2HG   GLN   7          3HG       GLN   7  -0.982  -7.414  -9.554
   50   1HE2  GLN   7          1HE2      GLN   7  -2.302  -6.779 -12.639
   51   2HE2  GLN   7          2HE2      GLN   7  -2.318  -5.048 -12.589
   52    H    PHE   8           HN       PHE   8   3.565  -9.208 -10.464
   53    HA   PHE   8           HA       PHE   8   3.651 -10.532 -13.006
   54   1HB   PHE   8          2HB       PHE   8   5.449  -9.266 -10.966
   55   2HB   PHE   8          3HB       PHE   8   6.192 -10.611 -11.808
   56    HD1  PHE   8           HD1      PHE   8   4.014  -7.728 -12.786
   57    HD2  PHE   8           HD2      PHE   8   7.536  -9.968 -13.552
   58    HE1  PHE   8           HE1      PHE   8   4.553  -6.220 -14.719
   59    HE2  PHE   8           HE2      PHE   8   8.074  -8.461 -15.486
   60    HZ   PHE   8           HZ       PHE   8   6.576  -6.605 -16.046
   61    H    VAL   9           HN       VAL   9   4.204 -11.354  -9.539
   62    HA   VAL   9           HA       VAL   9   5.025 -14.024 -10.206
   63    HB   VAL   9           HB       VAL   9   4.977 -14.290  -7.722
   64   1HG1  VAL   9          1HG1      VAL   9   6.910 -12.812  -7.312
   65   2HG1  VAL   9          2HG1      VAL   9   7.022 -13.631  -8.888
   66   3HG1  VAL   9          3HG1      VAL   9   6.537 -11.920  -8.807
   67   1HG2  VAL   9          1HG2      VAL   9   3.230 -12.187  -7.724
   68   2HG2  VAL   9          2HG2      VAL   9   4.142 -12.749  -6.303
   69   3HG2  VAL   9          3HG2      VAL   9   4.750 -11.381  -7.266
   70    H    GLY  10           HN       GLY  10   2.046 -12.270  -9.557
   71   1HA   GLY  10          1HA       GLY  10   0.371 -14.156  -8.508
   72   2HA   GLY  10          2HA       GLY  10  -0.100 -12.941  -9.680
   73    H    LEU  11           HN       LEU  11   1.106 -13.634 -12.037
   74    HA   LEU  11           HA       LEU  11  -0.457 -15.793 -12.893
   75   1HB   LEU  11          2HB       LEU  11   0.744 -15.512 -15.013
   76   2HB   LEU  11          3HB       LEU  11   0.091 -14.016 -14.375
   77    HG   LEU  11           HG       LEU  11   2.465 -13.609 -13.427
   78   1HD1  LEU  11          1HD1      LEU  11   2.879 -16.159 -14.563
   79   2HD1  LEU  11          2HD1      LEU  11   3.775 -15.000 -15.574
   80   3HD1  LEU  11          3HD1      LEU  11   4.080 -15.074 -13.821
   81   1HD2  LEU  11          1HD2      LEU  11   3.141 -13.097 -16.027
   82   2HD2  LEU  11          2HD2      LEU  11   1.370 -13.231 -16.129
   83   3HD2  LEU  11          3HD2      LEU  11   2.110 -12.064 -15.009
   84    H    MET  12           HN       MET  12   3.080 -15.478 -12.191
   85    HA   MET  12           HA       MET  12   3.305 -18.339 -12.545
   86   1HB   MET  12          2HB       MET  12   5.759 -17.875 -12.392
   87   2HB   MET  12          3HB       MET  12   5.010 -16.825 -13.578
   88   1HG   MET  12          2HG       MET  12   4.942 -14.960 -11.969
   89   2HG   MET  12          3HG       MET  12   5.513 -16.000 -10.678
   90   1HE   MET  12          1HE       MET  12   6.518 -13.218 -12.092
   91   2HE   MET  12          2HE       MET  12   8.065 -13.363 -12.961
   92   3HE   MET  12          3HE       MET  12   6.545 -13.816 -13.769
  Start of MODEL   20
    1    H    ASP   1           HN       ASP   1   1.884   0.000   0.829
    2    HA   ASP   1           HA       ASP   1   1.697   0.856  -1.806
    3   1HB   ASP   1          2HB       ASP   1   4.113  -0.159  -1.885
    4   2HB   ASP   1          3HB       ASP   1   3.801   1.194  -0.816
    5    HD2  ASP   1           HD2      ASP   1   3.048  -2.138   0.722
    6    H    VAL   2           HN       VAL   2   1.618  -0.349  -3.773
    7    HA   VAL   2           HA       VAL   2   0.527  -2.910  -3.692
    8    HB   VAL   2           HB       VAL   2   0.847  -2.878  -6.102
    9   1HG1  VAL   2          1HG1      VAL   2  -0.366  -0.693  -4.575
   10   2HG1  VAL   2          2HG1      VAL   2   0.032  -0.232  -6.248
   11   3HG1  VAL   2          3HG1      VAL   2  -1.014  -1.639  -5.937
   12   1HG2  VAL   2          1HG2      VAL   2   2.812  -2.023  -6.806
   13   2HG2  VAL   2          2HG2      VAL   2   1.934  -0.474  -6.817
   14   3HG2  VAL   2          3HG2      VAL   2   2.945  -0.914  -5.419
   15    HA   PRO   3           HA       PRO   3   4.311  -5.013  -2.945
   16   1HB   PRO   3          2HB       PRO   3   3.207  -7.417  -2.262
   17   2HB   PRO   3          3HB       PRO   3   3.476  -6.125  -1.109
   18   1HG   PRO   3          2HG       PRO   3   0.937  -7.018  -2.332
   19   2HG   PRO   3          3HG       PRO   3   1.181  -6.044  -0.895
   20   1HD   PRO   3          2HD       PRO   3   0.372  -5.111  -3.484
   21   2HD   PRO   3          3HD       PRO   3   0.729  -4.126  -2.079
   22    H    LYS   4           HN       LYS   4   5.704  -6.430  -4.015
   23    HA   LYS   4           HA       LYS   4   5.165  -6.685  -6.713
   24   1HB   LYS   4          2HB       LYS   4   7.092  -8.278  -4.995
   25   2HB   LYS   4          3HB       LYS   4   7.135  -8.170  -6.743
   26   1HG   LYS   4          2HG       LYS   4   7.224  -5.681  -4.990
   27   2HG   LYS   4          3HG       LYS   4   8.680  -6.563  -5.405
   28   1HD   LYS   4          2HD       LYS   4   6.792  -5.792  -7.634
   29   2HD   LYS   4          3HD       LYS   4   7.795  -4.541  -6.928
   30   1HE   LYS   4          2HE       LYS   4   9.472  -5.241  -8.292
   31   2HE   LYS   4          3HE       LYS   4   9.586  -6.680  -7.297
   32   1HZ   LYS   4          1HZ       LYS   4   9.102  -6.911  -9.831
   33   2HZ   LYS   4          2HZ       LYS   4   8.313  -7.893  -8.798
   34    H    SER   5           HN       SER   5   3.981  -8.511  -4.003
   35    HA   SER   5           HA       SER   5   3.595 -10.929  -5.379
   36   1HB   SER   5          2HB       SER   5   2.242 -11.570  -3.450
   37   2HB   SER   5          3HB       SER   5   3.675 -10.729  -2.893
   38    HG   SER   5           HG       SER   5   1.129  -9.414  -3.301
   39    H    ASP   6           HN       ASP   6   1.768  -7.892  -4.996
   40    HA   ASP   6           HA       ASP   6  -0.729  -8.729  -5.655
   41   1HB   ASP   6          2HB       ASP   6  -0.138  -6.417  -4.969
   42   2HB   ASP   6          3HB       ASP   6   0.716  -6.167  -6.480
   43    HD2  ASP   6           HD2      ASP   6  -3.177  -5.566  -6.300
   44    H    GLN   7           HN       GLN   7   2.118  -7.930  -7.727
   45    HA   GLN   7           HA       GLN   7   0.684  -8.144 -10.142
   46   1HB   GLN   7          2HB       GLN   7   3.436  -7.586  -9.277
   47   2HB   GLN   7          3HB       GLN   7   3.403  -8.574 -10.724
   48   1HG   GLN   7          2HG       GLN   7   2.524  -6.889 -12.022
   49   2HG   GLN   7          3HG       GLN   7   1.454  -6.326 -10.753
   50   1HE2  GLN   7          1HE2      GLN   7   2.970  -4.685 -12.455
   51   2HE2  GLN   7          2HE2      GLN   7   4.121  -3.790 -11.520
   52    H    PHE   8           HN       PHE   8   2.143 -10.416  -7.912
   53    HA   PHE   8           HA       PHE   8   2.478 -12.484  -9.871
   54   1HB   PHE   8          2HB       PHE   8   2.888 -11.941  -6.950
   55   2HB   PHE   8          3HB       PHE   8   2.471 -13.608  -7.294
   56    HD1  PHE   8           HD1      PHE   8   3.865 -14.665  -9.313
   57    HD2  PHE   8           HD2      PHE   8   5.121 -11.373  -6.950
   58    HE1  PHE   8           HE1      PHE   8   6.253 -15.136  -9.926
   59    HE2  PHE   8           HE2      PHE   8   7.509 -11.843  -7.563
   60    HZ   PHE   8           HZ       PHE   8   8.047 -13.719  -9.044
   61    H    VAL   9           HN       VAL   9   0.115 -11.588  -7.300
   62    HA   VAL   9           HA       VAL   9  -1.431 -13.965  -7.763
   63    HB   VAL   9           HB       VAL   9  -2.989 -12.852  -6.159
   64   1HG1  VAL   9          1HG1      VAL   9  -1.427 -13.015  -4.207
   65   2HG1  VAL   9          2HG1      VAL   9  -1.345 -14.401  -5.321
   66   3HG1  VAL   9          3HG1      VAL   9  -0.077 -13.153  -5.359
   67   1HG2  VAL   9          1HG2      VAL   9  -1.022 -10.840  -5.318
   68   2HG2  VAL   9          2HG2      VAL   9  -1.728 -10.516  -6.920
   69   3HG2  VAL   9          3HG2      VAL   9  -2.788 -10.713  -5.504
   70    H    GLY  10           HN       GLY  10  -1.202 -10.687  -9.018
   71   1HA   GLY  10          1HA       GLY  10  -3.776 -10.209  -9.901
   72   2HA   GLY  10          2HA       GLY  10  -2.308  -9.646 -10.674
   73    H    LEU  11           HN       LEU  11  -1.054 -11.845 -11.686
   74    HA   LEU  11           HA       LEU  11  -2.864 -12.607 -13.782
   75   1HB   LEU  11          2HB       LEU  11  -0.905 -13.576 -14.814
   76   2HB   LEU  11          3HB       LEU  11  -0.610 -11.925 -14.305
   77    HG   LEU  11           HG       LEU  11   0.469 -12.969 -12.198
   78   1HD1  LEU  11          1HD1      LEU  11  -0.357 -15.345 -13.535
   79   2HD1  LEU  11          2HD1      LEU  11   1.422 -15.310 -13.514
   80   3HD1  LEU  11          3HD1      LEU  11   0.511 -15.174 -11.991
   81   1HD2  LEU  11          1HD2      LEU  11   1.484 -12.449 -14.864
   82   2HD2  LEU  11          2HD2      LEU  11   2.198 -12.082 -13.275
   83   3HD2  LEU  11          3HD2      LEU  11   2.461 -13.676 -14.023
   84    H    MET  12           HN       MET  12  -1.037 -14.215 -11.108
   85    HA   MET  12           HA       MET  12  -1.909 -16.774 -11.755
   86   1HB   MET  12          2HB       MET  12   0.008 -15.998 -10.179
   87   2HB   MET  12          3HB       MET  12  -1.222 -15.706  -8.966
   88   1HG   MET  12          2HG       MET  12  -1.076 -17.896  -8.378
   89   2HG   MET  12          3HG       MET  12  -1.782 -18.314  -9.926
   90   1HE   MET  12          1HE       MET  12   0.983 -17.507 -12.083
   91   2HE   MET  12          2HE       MET  12   0.848 -19.277 -12.207
   92   3HE   MET  12          3HE       MET  12  -0.615 -18.286 -11.999