*HEADER    TOXIN                                   16-DEC-15   2N9Z              
*TITLE     SOLUTION STRUCTURE OF K1 LOBE OF DOUBLE-KNOT TOXIN                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TAU-THERAPHOTOXIN-HS1A;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: K1 DOMAIN, UNP RESIDUES 1-42;                              
*COMPND   5 SYNONYM: TAU-TRTX-HS1A, DOUBLE-KNOT TOXIN, DKTX;                     
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HAPLOPELMA SCHMIDTI;                            
*SOURCE   4 ORGANISM_COMMON: CHINESE EARTH TIGER;                                
*SOURCE   5 ORGANISM_TAXID: 29017                                                
*KEYWDS    TRPV1, TARANTULA, SPIDER, ICK, DOUBLE-KNOT TOXIN, DKTX, K1, TOXIN     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.BAE, C.ANSELMI, J.KALIA, A.JARA-OSEGUERA, C.D.SCHWIETERS,           
*AUTHOR   2 D.KREPKIY, C.LEE, E.KIM, J.KIM, J.D.FARALDO-GOMEZ, K.J.SWARTZ        
*REVDAT   1   02-MAR-16 2N9Z    0                                                


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assign (resid    5 and name HA   ) (resid    6 and name HA1  )   5.43   5.43   0.00
assign (resid    3 and name HB*  ) (resid    4 and name HA   )   5.50   5.50   0.00
assign (resid    3 and name HB*  ) (resid    9 and name HB2  )   4.65   4.65   0.00
assign (resid    3 and name HB*  ) (resid    9 and name HB1  )   3.79   3.79   0.00
assign (resid   16 and name HN   ) (resid   17 and name HN   )   5.08   5.08   0.00
assign (resid   19 and name HN   ) (resid   20 and name HN   )   3.17   3.17   0.00
assign (resid   30 and name HN   ) (resid   31 and name HN   )   5.34   5.34   0.00
assign (resid   21 and name HD*  ) (resid   32 and name HD*  )   4.40   4.40   0.00
assign (resid   22 and name HE*  ) (resid   25 and name HN   )   4.48   4.48   0.00
assign (resid   25 and name HN   ) (resid   26 and name HN   )   4.20   4.20   0.00
assign (resid   27 and name HN   ) (resid   27 and name HD*  )   4.59   4.59   0.00
assign (resid   21 and name HE*  ) (resid   33 and name HN   )   4.58   4.58   0.00
assign (resid   21 and name HN   ) (resid   21 and name HE*  )   4.78   4.78   0.00
assign (resid   34 and name HN   ) (resid   34 and name HD*  )   3.82   3.82   0.00
assign (resid   34 and name HD*  ) (resid   35 and name HN   )   4.58   4.58   0.00
assign (resid   21 and name HN   ) (resid   34 and name HD*  )   5.50   5.50   0.00
assign (resid   22 and name HN   ) (resid   34 and name HD*  )   5.33   5.33   0.00
assign (resid    5 and name HN   ) (resid   21 and name HE*  )   4.55   4.55   0.00
assign (resid   21 and name HD*  ) (resid   34 and name HD*  )   4.83   4.83   0.00
assign (resid   21 and name HA   ) (resid   33 and name HA   )   4.09   4.09   0.00
assign (resid    8 and name HN   ) (resid   30 and name HA   )   4.69   4.69   0.00
assign (resid   15 and name HB1  ) (resid   18 and name HD*  )   3.83   3.83   0.00
assign (resid   15 and name HB2  ) (resid   18 and name HD*  )   3.93   3.93   0.00
assign (resid   31 and name HN   ) (resid   31 and name HA   )   3.88   3.88   0.00
assign (resid    6 and name HN   ) (resid    7 and name HN   )   3.81   3.81   0.00
assign (resid   31 and name HN   ) (resid   32 and name HN   )   4.96   4.96   0.00
assign (resid    3 and name HB*  ) (resid   15 and name HN   )   5.42   5.42   0.00
assign (resid   22 and name HE*  ) (resid   32 and name HN   )   5.18   5.18   0.00
assign (resid   22 and name HE*  ) (resid   34 and name HN   )   4.72   4.72   0.00
assign (resid   21 and name HE*  ) (resid   33 and name HE*  )   4.16   4.16   0.00
assign (resid   21 and name HD*  ) (resid   33 and name HE*  )   3.91   3.91   0.00
assign (resid    6 and name HN   ) (resid    7 and name HN   )   3.76   3.76   0.00
assign (resid   18 and name HN   ) (resid   20 and name HN   )   5.28   5.28   0.00
assign (resid    6 and name HA1  ) (resid   30 and name HB1  )   3.97   3.97   0.00
assign (resid   19 and name HB*  ) (resid   20 and name HD2* )   4.36   4.36   0.00
assign (resid    6 and name HN   ) (resid   32 and name HA   )   4.72   4.72   0.00
assign (resid   18 and name HG   ) (resid   19 and name HN   )   4.82   4.82   0.00
assign (resid    9 and name HA   ) (resid   13 and name HB1  )   4.04   4.04   0.00
assign (resid   20 and name HA   ) (resid   34 and name HD*  )   3.82   3.82   0.00
assign (resid   21 and name HE*  ) (resid   32 and name HA   )   4.75   4.75   0.00
assign (resid   21 and name HD*  ) (resid   32 and name HA   )   4.04   4.04   0.00
assign (resid   18 and name HN   ) (resid   19 and name HB*  )   4.56   4.56   0.00
assign (resid    6 and name HN   ) (resid   21 and name HE*  )   5.43   5.43   0.00
assign (resid    6 and name HN   ) (resid   21 and name HD*  )   5.03   5.03   0.00
assign (resid    4 and name HN   ) (resid    7 and name HN   )   5.50   5.50   0.00
assign (resid   20 and name HN   ) (resid   21 and name HB2  )   5.13   5.13   0.00
assign (resid   20 and name HA   ) (resid   34 and name HE*  )   4.21   4.21   0.00
assign (resid   15 and name HA   ) (resid   15 and name HB2  )   3.50   3.50   0.00
assign (resid   15 and name HA   ) (resid   15 and name HB1  )   3.65   3.65   0.00
assign (resid    8 and name HG2* ) (resid   30 and name HD2  )   3.85   3.85   0.00
assign (resid   28 and name HD1* ) (resid   30 and name HE1  )   3.73   3.73   0.00
assign (resid   28 and name HG2* ) (resid   30 and name HE1  )   4.71   4.71   0.00
assign (resid    8 and name HG2* ) (resid   30 and name HE1  )   4.89   4.89   0.00
assign (resid   28 and name HD1* ) (resid   30 and name HD2  )   5.50   5.50   0.00
assign (resid    8 and name HB   ) (resid   30 and name HD2  )   5.33   5.33   0.00
assign (resid   27 and name HE*  ) (resid   28 and name HG2* )   4.41   4.41   0.00
assign (resid   27 and name HD*  ) (resid   28 and name HG2* )   4.01   4.01   0.00
assign (resid   11 and name HD1  ) (resid   28 and name HG2* )   5.21   5.21   0.00
assign (resid   26 and name HN   ) (resid   27 and name HN   )   4.14   4.14   0.00
assign (resid   11 and name HE3  ) (resid   12 and name HA1  )   5.14   5.14   0.00
assign (resid   11 and name HE3  ) (resid   12 and name HA2  )   5.04   5.04   0.00
assign (resid    7 and name HA   ) (resid    8 and name HG2* )   4.56   4.56   0.00
assign (resid   24 and name HD1  ) (resid   29 and name HB1  )   3.67   3.67   0.00
assign (resid   24 and name HD2  ) (resid   29 and name HB1  )   4.12   4.12   0.00
assign (resid    8 and name HG2* ) (resid   30 and name HA   )   5.18   5.18   0.00
assign (resid    4 and name HA   ) (resid   16 and name HB2  )   5.50   5.50   0.00
assign (resid   14 and name HA   ) (resid   15 and name HB1  )   4.66   4.66   0.00
assign (resid   10 and name HB1  ) (resid   12 and name HN   )   4.38   4.38   0.00
assign (resid    3 and name HB*  ) (resid    7 and name HB*  )   4.22   4.22   0.00
assign (resid   21 and name HA   ) (resid   33 and name HN   )   5.50   5.50   0.00
assign (resid    9 and name HA   ) (resid   15 and name HN   )   5.50   5.50   0.00
assign (resid    3 and name HN   ) (resid    9 and name HA   )   5.50   5.50   0.00
assign (resid    5 and name HA   ) (resid   21 and name HE*  )   4.18   4.18   0.00
assign (resid    5 and name HA   ) (resid   21 and name HD*  )   4.06   4.06   0.00
assign (resid   17 and name HB2  ) (resid   20 and name HN   )   5.50   5.50   0.00
assign (resid   11 and name HB1  ) (resid   11 and name HE3  )   4.06   4.06   0.00
assign (resid   11 and name HB2  ) (resid   11 and name HE3  )   4.09   4.09   0.00
assign (resid   11 and name HE3  ) (resid   12 and name HN   )   4.92   4.92   0.00
assign (resid   34 and name HN   ) (resid   36 and name HD*  )   4.23   4.23   0.00
assign (resid   10 and name HN   ) (resid   14 and name HA   )   4.16   4.16   0.00
assign (resid   24 and name HD2  ) (resid   29 and name HB1  )   4.50   4.50   0.00
assign (resid   24 and name HD1  ) (resid   29 and name HB1  )   3.72   3.72   0.00
assign (resid   11 and name HE1  ) (resid   29 and name HD*  )   5.50   5.50   0.00
assign (resid   11 and name HE1  ) (resid   28 and name HA   )   5.50   5.50   0.00
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0 -120.0   40.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0 -120.0   40.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0 -120.0   40.0 2
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0 -120.0   40.0 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0 -120.0   40.0 2
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0 -120.0   40.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ASP   1           HA       ASP   1 -10.616   3.032   6.040
    2    HB2  ASP   1           1HB      ASP   1 -12.739   1.172   5.399
    3    HB3  ASP   1           2HB      ASP   1 -11.168   0.405   5.178
    4    H    CYS   2           H        CYS   2  -8.576   2.434   5.400
    5    HA   CYS   2           HA       CYS   2  -8.099   1.379   2.736
    6    HB2  CYS   2           2HB      CYS   2  -6.679   3.199   2.007
    7    HB3  CYS   2           1HB      CYS   2  -8.283   3.834   2.363
    8    H    ALA   3           H        ALA   3  -5.711   1.052   2.368
    9    HA   ALA   3           HA       ALA   3  -4.516   0.110   4.873
   10    HB1  ALA   3           3HB      ALA   3  -4.545  -0.803   2.153
   11    HB2  ALA   3           1HB      ALA   3  -3.910  -1.615   3.582
   12    HB3  ALA   3           2HB      ALA   3  -2.877  -0.531   2.653
   13    H    LYS   4           H        LYS   4  -3.266   1.514   5.910
   14    HA   LYS   4           HA       LYS   4  -1.980   3.747   4.646
   15    HB2  LYS   4           1HB      LYS   4  -1.755   2.573   7.426
   16    HB3  LYS   4           2HB      LYS   4  -0.944   4.054   6.915
   17    HG2  LYS   4           1HG      LYS   4  -3.124   5.055   6.342
   18    HG3  LYS   4           2HG      LYS   4  -3.937   3.575   6.853
   19    HD2  LYS   4           1HD      LYS   4  -3.073   3.861   9.133
   20    HD3  LYS   4           2HD      LYS   4  -2.208   5.317   8.634
   21    HE2  LYS   4           1HE      LYS   4  -4.326   5.922   9.718
   22    HE3  LYS   4           2HE      LYS   4  -4.364   6.369   8.012
   23    HZ1  LYS   4           3HZ      LYS   4  -5.420   3.790   9.013
   24    HZ2  LYS   4           1HZ      LYS   4  -5.675   4.503   7.496
   25    HZ3  LYS   4           2HZ      LYS   4  -6.382   5.185   8.882
   26    H    GLU   5           H        GLU   5   0.491   4.031   5.476
   27    HA   GLU   5           HA       GLU   5   2.043   2.388   3.839
   28    HB2  GLU   5           1HB      GLU   5   2.724   4.637   4.608
   29    HB3  GLU   5           2HB      GLU   5   2.956   3.992   6.234
   30    HG2  GLU   5           1HG      GLU   5   4.670   2.454   5.414
   31    HG3  GLU   5           2HG      GLU   5   4.397   2.997   3.759
   32    H    GLY   6           H        GLY   6   2.887   0.431   4.066
   33    HA2  GLY   6           1HA      GLY   6   3.916  -1.368   5.136
   34    HA3  GLY   6           2HA      GLY   6   3.518  -0.666   6.686
   35    H    GLU   7           H        GLU   7   0.716  -0.437   5.032
   36    HA   GLU   7           HA       GLU   7  -0.379  -2.779   6.379
   37    HB2  GLU   7           1HB      GLU   7  -1.761  -0.671   4.707
   38    HB3  GLU   7           2HB      GLU   7  -2.556  -1.894   5.695
   39    HG2  GLU   7           1HG      GLU   7  -0.630   0.185   6.766
   40    HG3  GLU   7           2HG      GLU   7  -2.383   0.309   6.854
   41    H    VAL   8           H        VAL   8  -1.613  -4.414   5.330
   42    HA   VAL   8           HA       VAL   8  -0.422  -5.333   2.928
   43    HB   VAL   8           HB       VAL   8  -2.891  -6.311   4.358
   44   HG11  VAL   8          1HG1      VAL   8  -2.350  -8.436   3.107
   45   HG12  VAL   8          2HG1      VAL   8  -1.186  -7.516   2.160
   46   HG13  VAL   8          3HG1      VAL   8  -2.902  -7.121   2.075
   47   HG21  VAL   8          3HG2      VAL   8  -0.054  -7.380   4.398
   48   HG22  VAL   8          1HG2      VAL   8  -1.409  -7.921   5.391
   49   HG23  VAL   8          2HG2      VAL   8  -0.714  -6.319   5.644
   50    H    CYS   9           H        CYS   9  -0.925  -4.969   0.856
   51    HA   CYS   9           HA       CYS   9  -3.553  -3.671   0.329
   52    HB2  CYS   9           2HB      CYS   9  -2.388  -2.825  -1.765
   53    HB3  CYS   9           1HB      CYS   9  -1.844  -2.126  -0.243
   54    H    SER  10           H        SER  10  -3.758  -3.937  -2.333
   55    HA   SER  10           HA       SER  10  -4.371  -5.360  -4.026
   56    HB2  SER  10           1HB      SER  10  -2.002  -6.128  -3.861
   57    HB3  SER  10           2HB      SER  10  -2.511  -7.371  -2.731
   58    HG   SER  10           HG       SER  10  -3.216  -8.490  -4.349
   59    H    TRP  11           H        TRP  11  -3.960  -8.375  -2.673
   60    HA   TRP  11           HA       TRP  11  -6.649  -9.066  -2.686
   61    HB2  TRP  11           2HB      TRP  11  -6.008 -11.092  -1.617
   62    HB3  TRP  11           1HB      TRP  11  -4.624 -10.613  -2.599
   63    HD1  TRP  11           1HD      TRP  11  -2.482  -9.620  -1.326
   64    HE1  TRP  11           1HE      TRP  11  -1.703  -9.847   1.123
   65    HE3  TRP  11           3HE      TRP  11  -6.796 -11.297   0.811
   66    HZ2  TRP  11           2HZ      TRP  11  -2.779 -10.650   3.661
   67    HZ3  TRP  11           3HZ      TRP  11  -6.898 -11.788   3.238
   68    HH2  TRP  11           2HH      TRP  11  -4.896 -11.465   4.664
   69    H    GLY  12           H        GLY  12  -4.715  -7.555  -0.195
   70    HA2  GLY  12           1HA      GLY  12  -6.641  -7.942   1.921
   71    HA3  GLY  12           2HA      GLY  12  -5.225  -6.894   1.973
   72    H    LYS  13           H        LYS  13  -5.356  -4.766   1.085
   73    HA   LYS  13           HA       LYS  13  -8.074  -3.826   0.416
   74    HB2  LYS  13           1HB      LYS  13  -6.683  -3.294   2.867
   75    HB3  LYS  13           2HB      LYS  13  -6.827  -1.797   1.953
   76    HG2  LYS  13           1HG      LYS  13  -8.803  -2.077   3.369
   77    HG3  LYS  13           2HG      LYS  13  -9.267  -2.226   1.675
   78    HD2  LYS  13           1HD      LYS  13  -9.791  -4.445   1.875
   79    HD3  LYS  13           2HD      LYS  13  -8.493  -4.756   3.029
   80    HE2  LYS  13           1HE      LYS  13 -10.733  -4.963   4.085
   81    HE3  LYS  13           2HE      LYS  13  -9.786  -3.666   4.812
   82    HZ1  LYS  13           3HZ      LYS  13 -12.271  -3.515   3.466
   83    HZ2  LYS  13           1HZ      LYS  13 -11.129  -2.543   2.674
   84    HZ3  LYS  13           2HZ      LYS  13 -11.445  -2.305   4.326
   85    H    LYS  14           H        LYS  14  -7.645  -1.185   0.097
   86    HA   LYS  14           HA       LYS  14  -5.611  -1.059  -2.037
   87    HB2  LYS  14           1HB      LYS  14  -7.037   0.946  -2.758
   88    HB3  LYS  14           2HB      LYS  14  -7.735  -0.651  -3.003
   89    HG2  LYS  14           1HG      LYS  14  -9.011  -0.430  -0.916
   90    HG3  LYS  14           2HG      LYS  14  -8.290   1.152  -0.625
   91    HD2  LYS  14           1HD      LYS  14  -9.333   2.063  -2.615
   92    HD3  LYS  14           2HD      LYS  14  -9.926   0.467  -3.081
   93    HE2  LYS  14           1HE      LYS  14 -11.720   1.784  -2.021
   94    HE3  LYS  14           2HE      LYS  14 -11.306   0.383  -1.030
   95    HZ1  LYS  14           3HZ      LYS  14  -9.650   2.554  -0.340
   96    HZ2  LYS  14           1HZ      LYS  14 -10.764   1.721   0.629
   97    HZ3  LYS  14           2HZ      LYS  14 -11.272   3.059  -0.287
   98    H    CYS  15           H        CYS  15  -3.916   0.136  -1.704
   99    HA   CYS  15           HA       CYS  15  -3.312   1.437   0.659
  100    HB2  CYS  15           2HB      CYS  15  -1.909   0.795  -1.514
  101    HB3  CYS  15           1HB      CYS  15  -2.175   2.498  -1.868
  102    H    CYS  16           H        CYS  16  -3.878   3.347   1.529
  103    HA   CYS  16           HA       CYS  16  -5.953   4.915   0.665
  104    HB2  CYS  16           2HB      CYS  16  -4.077   5.000   2.751
  105    HB3  CYS  16           1HB      CYS  16  -3.995   6.577   1.972
  106    H    ASP  17           H        ASP  17  -2.517   5.649   0.179
  107    HA   ASP  17           HA       ASP  17  -3.300   7.410  -2.070
  108    HB2  ASP  17           1HB      ASP  17  -1.001   7.569  -0.127
  109    HB3  ASP  17           2HB      ASP  17  -1.025   8.474  -1.640
  110    H    LEU  18           H        LEU  18  -3.279   5.699  -3.583
  111    HA   LEU  18           HA       LEU  18  -1.062   3.952  -3.943
  112    HB2  LEU  18           1HB      LEU  18  -3.355   4.772  -5.737
  113    HB3  LEU  18           2HB      LEU  18  -2.154   3.571  -6.208
  114    HG   LEU  18           HG       LEU  18  -3.568   3.296  -3.570
  115   HD11  LEU  18          1HD1      LEU  18  -5.300   1.926  -4.693
  116   HD12  LEU  18          2HD1      LEU  18  -4.624   2.383  -6.261
  117   HD13  LEU  18          3HD1      LEU  18  -5.357   3.608  -5.224
  118   HD21  LEU  18          3HD2      LEU  18  -3.233   0.868  -4.102
  119   HD22  LEU  18          1HD2      LEU  18  -1.714   1.758  -4.025
  120   HD23  LEU  18          2HD2      LEU  18  -2.411   1.342  -5.588
  121    H    ASP  19           H        ASP  19  -1.590   7.232  -4.731
  122    HA   ASP  19           HA       ASP  19   0.123   7.363  -7.030
  123    HB2  ASP  19           1HB      ASP  19  -1.694   9.021  -6.435
  124    HB3  ASP  19           2HB      ASP  19  -0.623   9.622  -5.171
  125    H    ASN  20           H        ASN  20   0.521   8.024  -3.560
  126    HA   ASN  20           HA       ASN  20   3.370   8.577  -3.982
  127    HB2  ASN  20           1HB      ASN  20   1.662   8.747  -1.498
  128    HB3  ASN  20           2HB      ASN  20   3.356   9.194  -1.588
  129   HD21  ASN  20          1HD2      ASN  20   0.765  11.989  -2.335
  130   HD22  ASN  20          2HD2      ASN  20   0.601  10.686  -1.270
  131    H    PHE  21           H        PHE  21   1.313   6.002  -3.191
  132    HA   PHE  21           HA       PHE  21   3.609   4.428  -2.210
  133    HB2  PHE  21           2HB      PHE  21   0.748   4.268  -1.242
  134    HB3  PHE  21           1HB      PHE  21   2.030   3.153  -0.787
  135    HD1  PHE  21           1HD      PHE  21   1.097   6.760  -0.749
  136    HD2  PHE  21           2HD      PHE  21   3.529   3.674   0.964
  137    HE1  PHE  21           1HE      PHE  21   1.795   8.316   1.042
  138    HE2  PHE  21           2HE      PHE  21   4.233   5.225   2.759
  139    HZ   PHE  21           HZ       PHE  21   3.368   7.550   2.798
  140    H    TYR  22           H        TYR  22   3.573   2.184  -2.763
  141    HA   TYR  22           HA       TYR  22   1.708   1.494  -4.954
  142    HB2  TYR  22           2HB      TYR  22   3.483   0.520  -6.217
  143    HB3  TYR  22           1HB      TYR  22   4.050   2.111  -5.730
  144    HD1  TYR  22           1HD      TYR  22   4.319  -1.520  -5.077
  145    HD2  TYR  22           2HD      TYR  22   5.826   2.400  -4.176
  146    HE1  TYR  22           1HE      TYR  22   6.309  -2.502  -4.100
  147    HE2  TYR  22           2HE      TYR  22   7.805   1.399  -3.167
  148    HH   TYR  22           HH       TYR  22   8.017  -1.708  -2.223
  149    H    CYS  23           H        CYS  23   1.452  -0.822  -5.267
  150    HA   CYS  23           HA       CYS  23   1.622  -2.235  -2.710
  151    HB2  CYS  23           2HB      CYS  23  -0.603  -1.979  -3.779
  152    HB3  CYS  23           1HB      CYS  23  -0.027  -2.983  -5.107
  153    HA   PRO  24           HA       PRO  24   5.116  -4.397  -4.778
  154    HB2  PRO  24           2HB      PRO  24   4.850  -6.102  -2.350
  155    HB3  PRO  24           1HB      PRO  24   6.284  -5.318  -3.024
  156    HG2  PRO  24           2HG      PRO  24   5.096  -4.386  -0.850
  157    HG3  PRO  24           1HG      PRO  24   5.832  -3.315  -2.030
  158    HD2  PRO  24           2HD      PRO  24   2.947  -3.857  -1.524
  159    HD3  PRO  24           1HD      PRO  24   3.750  -2.382  -2.077
  160    H    MET  25           H        MET  25   5.541  -6.666  -5.415
  161    HA   MET  25           HA       MET  25   3.010  -8.155  -5.818
  162    HB2  MET  25           1HB      MET  25   4.081  -7.306  -7.891
  163    HB3  MET  25           2HB      MET  25   5.531  -8.226  -7.491
  164    HG2  MET  25           1HG      MET  25   4.254 -10.319  -7.565
  165    HG3  MET  25           2HG      MET  25   2.774  -9.421  -7.887
  166    HE1  MET  25           3HE      MET  25   6.327 -10.242 -10.619
  167    HE2  MET  25           1HE      MET  25   6.165 -10.499  -8.877
  168    HE3  MET  25           2HE      MET  25   6.523  -8.893  -9.504
  169    H    GLU  26           H        GLU  26   3.175  -9.321  -3.859
  170    HA   GLU  26           HA       GLU  26   4.893 -11.643  -4.031
  171    HB2  GLU  26           1HB      GLU  26   5.916  -9.519  -2.638
  172    HB3  GLU  26           2HB      GLU  26   5.073 -10.405  -1.367
  173    HG2  GLU  26           1HG      GLU  26   6.238 -12.490  -2.103
  174    HG3  GLU  26           2HG      GLU  26   7.146 -11.530  -3.270
  175    H    PHE  27           H        PHE  27   4.544 -12.674  -1.542
  176    HA   PHE  27           HA       PHE  27   1.917 -13.679  -1.626
  177    HB2  PHE  27           2HB      PHE  27   3.877 -14.840  -0.588
  178    HB3  PHE  27           1HB      PHE  27   3.794 -13.693   0.749
  179    HD1  PHE  27           1HD      PHE  27   1.729 -16.152  -1.157
  180    HD2  PHE  27           2HD      PHE  27   2.334 -14.100   2.568
  181    HE1  PHE  27           1HE      PHE  27  -0.037 -17.539  -0.108
  182    HE2  PHE  27           2HE      PHE  27   0.565 -15.487   3.619
  183    HZ   PHE  27           HZ       PHE  27  -0.620 -17.207   2.279
  184    H    ILE  28           H        ILE  28   3.425 -11.281   0.528
  185    HA   ILE  28           HA       ILE  28   0.735 -10.257   1.156
  186    HB   ILE  28           HB       ILE  28   1.676  -9.815   3.496
  187   HG12  ILE  28          1HG1      ILE  28   3.526 -12.081   2.698
  188   HG13  ILE  28          2HG1      ILE  28   4.046 -10.400   2.777
  189   HG21  ILE  28          1HG2      ILE  28   1.372 -12.460   3.941
  190   HG22  ILE  28          2HG2      ILE  28   0.735 -12.363   2.300
  191   HG23  ILE  28          3HG2      ILE  28   0.016 -11.390   3.583
  192   HD11  ILE  28          3HD1      ILE  28   3.078 -12.156   5.038
  193   HD12  ILE  28          1HD1      ILE  28   3.152 -10.401   5.188
  194   HD13  ILE  28          2HD1      ILE  28   4.624 -11.322   4.891
  195    HA   PRO  29           HA       PRO  29   3.618  -6.922  -0.409
  196    HB2  PRO  29           2HB      PRO  29   0.953  -5.969  -1.324
  197    HB3  PRO  29           1HB      PRO  29   2.491  -6.022  -2.200
  198    HG2  PRO  29           2HG      PRO  29   0.545  -7.737  -2.730
  199    HG3  PRO  29           1HG      PRO  29   2.239  -8.269  -2.726
  200    HD2  PRO  29           2HD      PRO  29   0.114  -8.699  -0.642
  201    HD3  PRO  29           1HD      PRO  29   1.398  -9.807  -1.184
  202    H    HIS  30           H        HIS  30   3.903  -4.886   0.496
  203    HA   HIS  30           HA       HIS  30   1.781  -3.941   2.328
  204    HB2  HIS  30           1HB      HIS  30   4.747  -3.923   2.907
  205    HB3  HIS  30           2HB      HIS  30   3.491  -3.231   3.918
  206    HD1  HIS  30           HD1      HIS  30   5.066  -6.479   3.019
  207    HD2  HIS  30           HD2      HIS  30   1.732  -5.145   5.137
  208    HE1  HIS  30           HE1      HIS  30   4.228  -8.462   4.360
  209    H    CYS  31           H        CYS  31   1.322  -1.808   2.247
  210    HA   CYS  31           HA       CYS  31   1.929  -0.243   0.064
  211    HB2  CYS  31           2HB      CYS  31   1.103   0.443   2.867
  212    HB3  CYS  31           1HB      CYS  31   1.450   1.717   1.709
  213    H    LYS  32           H        LYS  32   3.696   0.759  -0.637
  214    HA   LYS  32           HA       LYS  32   5.743   1.558   1.332
  215    HB2  LYS  32           1HB      LYS  32   6.501  -0.519   0.300
  216    HB3  LYS  32           2HB      LYS  32   6.215   0.146  -1.287
  217    HG2  LYS  32           1HG      LYS  32   8.609   0.251  -0.738
  218    HG3  LYS  32           2HG      LYS  32   7.955   1.875  -0.881
  219    HD2  LYS  32           1HD      LYS  32   7.881   2.161   1.494
  220    HD3  LYS  32           2HD      LYS  32   8.176   0.441   1.774
  221    HE2  LYS  32           1HE      LYS  32  10.430   0.693   0.786
  222    HE3  LYS  32           2HE      LYS  32  10.120   2.410   0.522
  223    HZ1  LYS  32           3HZ      LYS  32  10.892   2.719   2.567
  224    HZ2  LYS  32           1HZ      LYS  32  10.882   1.058   2.914
  225    HZ3  LYS  32           2HZ      LYS  32   9.474   1.980   3.141
  226    H    LYS  33           H        LYS  33   6.555   3.544   1.047
  227    HA   LYS  33           HA       LYS  33   5.392   5.274  -0.920
  228    HB2  LYS  33           1HB      LYS  33   6.055   5.925   1.430
  229    HB3  LYS  33           2HB      LYS  33   7.728   5.886   0.887
  230    HG2  LYS  33           1HG      LYS  33   7.211   7.527  -0.874
  231    HG3  LYS  33           2HG      LYS  33   5.536   7.583  -0.334
  232    HD2  LYS  33           1HD      LYS  33   7.813   8.178   1.555
  233    HD3  LYS  33           2HD      LYS  33   7.132   9.432   0.522
  234    HE2  LYS  33           1HE      LYS  33   4.855   8.858   1.484
  235    HE3  LYS  33           2HE      LYS  33   5.684   7.819   2.644
  236    HZ1  LYS  33           3HZ      LYS  33   5.934   9.631   3.878
  237    HZ2  LYS  33           1HZ      LYS  33   5.437  10.659   2.626
  238    HZ3  LYS  33           2HZ      LYS  33   7.061  10.177   2.731
  239    H    TYR  34           H        TYR  34   6.213   6.015  -2.774
  240    HA   TYR  34           HA       TYR  34   8.994   5.743  -3.465
  241    HB2  TYR  34           2HB      TYR  34   8.726   4.311  -5.299
  242    HB3  TYR  34           1HB      TYR  34   7.834   3.559  -3.993
  243    HD1  TYR  34           1HD      TYR  34   7.585   3.486  -7.181
  244    HD2  TYR  34           2HD      TYR  34   5.324   5.351  -4.040
  245    HE1  TYR  34           1HE      TYR  34   5.579   3.533  -8.626
  246    HE2  TYR  34           2HE      TYR  34   3.344   5.394  -5.473
  247    HH   TYR  34           HH       TYR  34   3.283   5.301  -8.510
  248    H    LYS  35           H        LYS  35   9.488   6.805  -5.464
  249    HA   LYS  35           HA       LYS  35   7.445   8.509  -6.655
  250    HB2  LYS  35           1HB      LYS  35   8.874  10.554  -6.268
  251    HB3  LYS  35           2HB      LYS  35   8.064   9.925  -4.835
  252    HG2  LYS  35           1HG      LYS  35  10.819   8.930  -5.467
  253    HG3  LYS  35           2HG      LYS  35  10.653  10.550  -4.792
  254    HD2  LYS  35           1HD      LYS  35   9.307   9.564  -2.912
  255    HD3  LYS  35           2HD      LYS  35   9.669   7.955  -3.540
  256    HE2  LYS  35           1HE      LYS  35  12.072   8.380  -3.297
  257    HE3  LYS  35           2HE      LYS  35  11.732  10.002  -2.686
  258    HZ1  LYS  35           3HZ      LYS  35  10.744   9.151  -0.774
  259    HZ2  LYS  35           1HZ      LYS  35  12.109   8.170  -0.989
  260    HZ3  LYS  35           2HZ      LYS  35  10.572   7.594  -1.429
  261    HA   PRO  36           HA       PRO  36  11.073   7.098  -9.334
  262    HB2  PRO  36           2HB      PRO  36   9.582   5.617 -11.095
  263    HB3  PRO  36           1HB      PRO  36  10.319   4.944  -9.628
  264    HG2  PRO  36           2HG      PRO  36   7.508   5.818 -10.102
  265    HG3  PRO  36           1HG      PRO  36   8.117   4.395  -9.242
  266    HD2  PRO  36           2HD      PRO  36   7.248   6.611  -7.925
  267    HD3  PRO  36           1HD      PRO  36   8.563   5.598  -7.285
  268    H    TYR  37           H        TYR  37  11.589   8.010 -11.338
  269    HA   TYR  37           HA       TYR  37   9.486   9.496 -12.752
  270    HB2  TYR  37           2HB      TYR  37  11.055  11.443 -12.934
  271    HB3  TYR  37           1HB      TYR  37  10.476  11.144 -11.294
  272    HD1  TYR  37           1HD      TYR  37  13.371  10.965 -13.565
  273    HD2  TYR  37           2HD      TYR  37  11.946  10.191  -9.587
  274    HE1  TYR  37           1HE      TYR  37  15.708  10.693 -12.779
  275    HE2  TYR  37           2HE      TYR  37  14.280   9.919  -8.802
  276    HH   TYR  37           HH       TYR  37  16.618   9.201 -10.197
  277    H    VAL  38           H        VAL  38  12.157   7.480 -12.801
  278    HA   VAL  38           HA       VAL  38  12.325   7.711 -15.729
  279    HB   VAL  38           HB       VAL  38  14.243   8.954 -14.853
  280   HG11  VAL  38          1HG1      VAL  38  15.568   6.596 -13.696
  281   HG12  VAL  38          2HG1      VAL  38  14.161   7.136 -12.780
  282   HG13  VAL  38          3HG1      VAL  38  15.491   8.251 -13.093
  283   HG21  VAL  38          3HG2      VAL  38  14.299   6.956 -16.736
  284   HG22  VAL  38          1HG2      VAL  38  15.607   6.463 -15.660
  285   HG23  VAL  38          2HG2      VAL  38  15.638   8.057 -16.415
  286    HA   PRO  39           HA       PRO  39  11.642   3.362 -14.115
  287    HB2  PRO  39           2HB      PRO  39  10.020   3.347 -16.616
  288    HB3  PRO  39           1HB      PRO  39   9.609   2.742 -15.000
  289    HG2  PRO  39           2HG      PRO  39   8.532   4.977 -15.928
  290    HG3  PRO  39           1HG      PRO  39   9.010   4.831 -14.225
  291    HD2  PRO  39           2HD      PRO  39  10.418   6.271 -16.460
  292    HD3  PRO  39           1HD      PRO  39  10.223   6.749 -14.757
  293    H    VAL  40           H        VAL  40  12.676   1.528 -14.857
  294    HA   VAL  40           HA       VAL  40  13.920   1.642 -17.537
  295    HB   VAL  40           HB       VAL  40  15.963   0.642 -16.577
  296   HG11  VAL  40          1HG1      VAL  40  16.826   2.667 -15.624
  297   HG12  VAL  40          2HG1      VAL  40  15.224   3.170 -15.085
  298   HG13  VAL  40          3HG1      VAL  40  15.610   3.152 -16.806
  299   HG21  VAL  40          3HG2      VAL  40  14.230   0.552 -14.200
  300   HG22  VAL  40          1HG2      VAL  40  15.836   1.203 -13.876
  301   HG23  VAL  40          2HG2      VAL  40  15.661  -0.404 -14.582
  302    H    THR  41           H        THR  41  14.470  -0.440 -18.426
  303    HA   THR  41           HA       THR  41  12.439  -2.366 -18.137
  304    HB   THR  41           HB       THR  41  13.623  -2.277 -20.204
  305    HG1  THR  41           1HG      THR  41  14.870  -4.540 -19.633
  306   HG21  THR  41          3HG2      THR  41  16.047  -2.534 -18.440
  307   HG22  THR  41          1HG2      THR  41  15.711  -1.336 -19.690
  308   HG23  THR  41          2HG2      THR  41  16.125  -2.990 -20.143
  309    H    THR  42           H        THR  42  12.368  -4.357 -17.133
  310    HA   THR  42           HA       THR  42  14.551  -5.521 -15.729
  311    HB   THR  42           HB       THR  42  14.042  -3.528 -14.264
  312    HG1  THR  42           1HG      THR  42  14.753  -5.816 -13.633
  313   HG21  THR  42          3HG2      THR  42  11.445  -4.089 -14.752
  314   HG22  THR  42          1HG2      THR  42  11.982  -3.213 -13.319
  315   HG23  THR  42          2HG2      THR  42  11.649  -4.941 -13.221
  Start of MODEL    2
    1    HA   ASP   1           HA       ASP   1 -10.968   4.633   5.476
    2    HB2  ASP   1           1HB      ASP   1 -10.084   2.957   7.029
    3    HB3  ASP   1           2HB      ASP   1 -11.798   3.217   7.338
    4    H    CYS   2           H        CYS   2  -8.695   3.329   5.524
    5    HA   CYS   2           HA       CYS   2  -8.314   1.602   3.236
    6    HB2  CYS   2           2HB      CYS   2  -6.689   3.140   2.145
    7    HB3  CYS   2           1HB      CYS   2  -8.349   3.714   2.063
    8    H    ALA   3           H        ALA   3  -5.951   1.106   2.923
    9    HA   ALA   3           HA       ALA   3  -4.740   0.761   5.564
   10    HB1  ALA   3           3HB      ALA   3  -3.205  -0.437   3.468
   11    HB2  ALA   3           1HB      ALA   3  -4.909  -0.800   3.196
   12    HB3  ALA   3           2HB      ALA   3  -4.154  -1.224   4.730
   13    H    LYS   4           H        LYS   4  -3.038   1.906   6.247
   14    HA   LYS   4           HA       LYS   4  -1.890   3.918   4.483
   15    HB2  LYS   4           1HB      LYS   4  -1.341   3.329   7.404
   16    HB3  LYS   4           2HB      LYS   4  -0.745   4.721   6.503
   17    HG2  LYS   4           1HG      LYS   4  -3.064   5.434   6.058
   18    HG3  LYS   4           2HG      LYS   4  -3.664   4.046   6.968
   19    HD2  LYS   4           1HD      LYS   4  -2.463   4.868   8.981
   20    HD3  LYS   4           2HD      LYS   4  -1.942   6.286   8.069
   21    HE2  LYS   4           1HE      LYS   4  -4.830   5.501   8.556
   22    HE3  LYS   4           2HE      LYS   4  -3.961   6.758   9.436
   23    HZ1  LYS   4           3HZ      LYS   4  -3.490   7.697   7.114
   24    HZ2  LYS   4           1HZ      LYS   4  -5.040   7.918   7.770
   25    HZ3  LYS   4           2HZ      LYS   4  -4.777   6.711   6.604
   26    H    GLU   5           H        GLU   5   0.687   4.097   5.597
   27    HA   GLU   5           HA       GLU   5   2.154   2.403   3.927
   28    HB2  GLU   5           1HB      GLU   5   3.003   4.528   4.906
   29    HB3  GLU   5           2HB      GLU   5   3.125   3.726   6.471
   30    HG2  GLU   5           1HG      GLU   5   4.651   2.027   5.404
   31    HG3  GLU   5           2HG      GLU   5   4.614   2.998   3.934
   32    H    GLY   6           H        GLY   6   2.803   0.372   4.084
   33    HA2  GLY   6           1HA      GLY   6   3.240  -1.706   4.905
   34    HA3  GLY   6           2HA      GLY   6   3.602  -0.946   6.431
   35    H    GLU   7           H        GLU   7   0.482  -0.739   4.822
   36    HA   GLU   7           HA       GLU   7  -0.680  -2.343   7.027
   37    HB2  GLU   7           1HB      GLU   7  -1.947  -0.135   5.401
   38    HB3  GLU   7           2HB      GLU   7  -2.764  -1.081   6.644
   39    HG2  GLU   7           1HG      GLU   7  -0.268   0.572   7.126
   40    HG3  GLU   7           2HG      GLU   7  -1.908   1.110   7.485
   41    H    VAL   8           H        VAL   8   0.383  -3.349   4.460
   42    HA   VAL   8           HA       VAL   8  -0.177  -4.891   2.865
   43    HB   VAL   8           HB       VAL   8  -2.504  -5.238   4.747
   44   HG11  VAL   8          1HG1      VAL   8  -2.728  -7.452   3.449
   45   HG12  VAL   8          2HG1      VAL   8  -1.803  -6.656   2.177
   46   HG13  VAL   8          3HG1      VAL   8  -3.364  -5.999   2.676
   47   HG21  VAL   8          3HG2      VAL   8  -0.007  -6.855   4.155
   48   HG22  VAL   8          1HG2      VAL   8  -1.268  -7.318   5.296
   49   HG23  VAL   8          2HG2      VAL   8  -0.290  -5.882   5.599
   50    H    CYS   9           H        CYS   9  -1.075  -4.863   0.828
   51    HA   CYS   9           HA       CYS   9  -3.528  -3.286   0.442
   52    HB2  CYS   9           2HB      CYS   9  -2.555  -1.940  -1.320
   53    HB3  CYS   9           1HB      CYS   9  -1.609  -1.734   0.149
   54    H    SER  10           H        SER  10  -3.254  -3.232  -2.405
   55    HA   SER  10           HA       SER  10  -3.745  -4.521  -4.239
   56    HB2  SER  10           1HB      SER  10  -1.447  -5.450  -3.601
   57    HB3  SER  10           2HB      SER  10  -2.316  -6.792  -2.864
   58    HG   SER  10           HG       SER  10  -2.475  -7.569  -4.795
   59    H    TRP  11           H        TRP  11  -3.822  -7.617  -3.549
   60    HA   TRP  11           HA       TRP  11  -6.602  -7.889  -3.592
   61    HB2  TRP  11           2HB      TRP  11  -6.248 -10.222  -3.177
   62    HB3  TRP  11           1HB      TRP  11  -4.893  -9.667  -4.157
   63    HD1  TRP  11           1HD      TRP  11  -2.510  -9.466  -2.983
   64    HE1  TRP  11           1HE      TRP  11  -1.578 -10.461  -0.795
   65    HE3  TRP  11           3HE      TRP  11  -6.864 -10.914  -0.759
   66    HZ2  TRP  11           2HZ      TRP  11  -2.557 -11.712   1.587
   67    HZ3  TRP  11           3HZ      TRP  11  -6.841 -12.006   1.468
   68    HH2  TRP  11           2HH      TRP  11  -4.694 -12.408   2.641
   69    H    GLY  12           H        GLY  12  -4.355  -7.616  -0.906
   70    HA2  GLY  12           1HA      GLY  12  -6.093  -8.444   1.166
   71    HA3  GLY  12           2HA      GLY  12  -4.691  -7.398   1.357
   72    H    LYS  13           H        LYS  13  -5.500  -5.284  -0.328
   73    HA   LYS  13           HA       LYS  13  -8.066  -4.260   0.104
   74    HB2  LYS  13           1HB      LYS  13  -6.455  -4.214   2.478
   75    HB3  LYS  13           2HB      LYS  13  -6.708  -2.557   1.928
   76    HG2  LYS  13           1HG      LYS  13  -9.141  -2.970   1.801
   77    HG3  LYS  13           2HG      LYS  13  -8.887  -4.623   2.363
   78    HD2  LYS  13           1HD      LYS  13  -7.795  -3.661   4.428
   79    HD3  LYS  13           2HD      LYS  13  -8.322  -2.066   3.887
   80    HE2  LYS  13           1HE      LYS  13 -10.161  -4.427   4.387
   81    HE3  LYS  13           2HE      LYS  13  -9.927  -3.074   5.494
   82    HZ1  LYS  13           3HZ      LYS  13 -11.279  -3.140   2.894
   83    HZ2  LYS  13           1HZ      LYS  13 -10.508  -1.704   3.362
   84    HZ3  LYS  13           2HZ      LYS  13 -11.739  -2.361   4.333
   85    H    LYS  14           H        LYS  14  -7.886  -1.662   0.158
   86    HA   LYS  14           HA       LYS  14  -6.002  -0.978  -2.003
   87    HB2  LYS  14           1HB      LYS  14  -8.549   0.376  -1.065
   88    HB3  LYS  14           2HB      LYS  14  -7.534   0.934  -2.396
   89    HG2  LYS  14           1HG      LYS  14  -7.902  -1.199  -3.580
   90    HG3  LYS  14           2HG      LYS  14  -8.910  -1.767  -2.247
   91    HD2  LYS  14           1HD      LYS  14 -10.477   0.105  -2.629
   92    HD3  LYS  14           2HD      LYS  14  -9.474   0.669  -3.967
   93    HE2  LYS  14           1HE      LYS  14  -9.845  -1.459  -5.155
   94    HE3  LYS  14           2HE      LYS  14 -10.832  -2.042  -3.815
   95    HZ1  LYS  14           3HZ      LYS  14 -12.508  -0.555  -4.284
   96    HZ2  LYS  14           1HZ      LYS  14 -11.970  -0.955  -5.841
   97    HZ3  LYS  14           2HZ      LYS  14 -11.489   0.510  -5.129
   98    H    CYS  15           H        CYS  15  -4.354   0.301  -1.604
   99    HA   CYS  15           HA       CYS  15  -3.754   1.259   0.996
  100    HB2  CYS  15           2HB      CYS  15  -2.214   0.691  -1.057
  101    HB3  CYS  15           1HB      CYS  15  -2.484   2.381  -1.471
  102    H    CYS  16           H        CYS  16  -3.651   3.407   1.750
  103    HA   CYS  16           HA       CYS  16  -5.846   5.040   1.176
  104    HB2  CYS  16           2HB      CYS  16  -3.218   5.623   2.544
  105    HB3  CYS  16           1HB      CYS  16  -4.568   6.756   2.514
  106    H    ASP  17           H        ASP  17  -2.503   5.207   0.071
  107    HA   ASP  17           HA       ASP  17  -3.381   7.084  -2.033
  108    HB2  ASP  17           1HB      ASP  17  -1.170   7.390  -0.066
  109    HB3  ASP  17           2HB      ASP  17  -0.859   7.911  -1.721
  110    H    LEU  18           H        LEU  18  -3.478   5.330  -3.494
  111    HA   LEU  18           HA       LEU  18  -1.354   3.502  -3.895
  112    HB2  LEU  18           1HB      LEU  18  -3.640   4.405  -5.650
  113    HB3  LEU  18           2HB      LEU  18  -2.502   3.152  -6.145
  114    HG   LEU  18           HG       LEU  18  -3.970   3.004  -3.503
  115   HD11  LEU  18          1HD1      LEU  18  -5.718   3.136  -5.147
  116   HD12  LEU  18          2HD1      LEU  18  -5.533   1.433  -4.724
  117   HD13  LEU  18          3HD1      LEU  18  -4.855   2.048  -6.232
  118   HD21  LEU  18          3HD2      LEU  18  -1.949   1.436  -4.721
  119   HD22  LEU  18          1HD2      LEU  18  -3.442   0.516  -4.894
  120   HD23  LEU  18          2HD2      LEU  18  -2.902   1.020  -3.296
  121    H    ASP  19           H        ASP  19  -1.783   6.787  -4.792
  122    HA   ASP  19           HA       ASP  19  -0.016   6.772  -7.060
  123    HB2  ASP  19           1HB      ASP  19  -1.801   8.466  -6.735
  124    HB3  ASP  19           2HB      ASP  19  -0.916   9.093  -5.345
  125    H    ASN  20           H        ASN  20   0.296   7.846  -3.664
  126    HA   ASN  20           HA       ASN  20   3.131   8.376  -4.041
  127    HB2  ASN  20           1HB      ASN  20   1.389   8.537  -1.576
  128    HB3  ASN  20           2HB      ASN  20   3.072   9.030  -1.653
  129   HD21  ASN  20          1HD2      ASN  20   0.398  11.718  -2.526
  130   HD22  ASN  20          2HD2      ASN  20   0.232  10.423  -1.451
  131    H    PHE  21           H        PHE  21   1.266   5.679  -3.422
  132    HA   PHE  21           HA       PHE  21   3.599   4.297  -2.305
  133    HB2  PHE  21           2HB      PHE  21   0.737   3.891  -1.426
  134    HB3  PHE  21           1HB      PHE  21   2.098   2.894  -0.924
  135    HD1  PHE  21           1HD      PHE  21   0.974   6.449  -1.037
  136    HD2  PHE  21           2HD      PHE  21   3.359   3.510   1.007
  137    HE1  PHE  21           1HE      PHE  21   1.423   8.076   0.757
  138    HE2  PHE  21           2HE      PHE  21   3.808   5.149   2.798
  139    HZ   PHE  21           HZ       PHE  21   2.844   7.433   2.678
  140    H    TYR  22           H        TYR  22   3.655   1.987  -2.732
  141    HA   TYR  22           HA       TYR  22   1.979   1.183  -5.042
  142    HB2  TYR  22           2HB      TYR  22   3.858   0.295  -6.213
  143    HB3  TYR  22           1HB      TYR  22   4.302   1.934  -5.736
  144    HD1  TYR  22           1HD      TYR  22   4.756  -1.663  -4.952
  145    HD2  TYR  22           2HD      TYR  22   6.008   2.365  -4.162
  146    HE1  TYR  22           1HE      TYR  22   6.764  -2.492  -3.888
  147    HE2  TYR  22           2HE      TYR  22   8.010   1.499  -3.033
  148    HH   TYR  22           HH       TYR  22   8.423  -1.874  -2.325
  149    H    CYS  23           H        CYS  23   1.926  -1.143  -5.398
  150    HA   CYS  23           HA       CYS  23   2.038  -2.589  -2.855
  151    HB2  CYS  23           2HB      CYS  23   0.472  -3.048  -5.383
  152    HB3  CYS  23           1HB      CYS  23   0.580  -4.243  -4.089
  153    HA   PRO  24           HA       PRO  24   5.820  -4.479  -4.664
  154    HB2  PRO  24           2HB      PRO  24   5.396  -6.202  -2.262
  155    HB3  PRO  24           1HB      PRO  24   6.866  -5.387  -2.815
  156    HG2  PRO  24           2HG      PRO  24   5.487  -4.462  -0.764
  157    HG3  PRO  24           1HG      PRO  24   6.259  -3.380  -1.916
  158    HD2  PRO  24           2HD      PRO  24   3.375  -4.050  -1.608
  159    HD3  PRO  24           1HD      PRO  24   4.143  -2.544  -2.131
  160    H    MET  25           H        MET  25   6.178  -6.349  -5.823
  161    HA   MET  25           HA       MET  25   3.844  -7.949  -6.426
  162    HB2  MET  25           1HB      MET  25   5.546  -7.149  -8.142
  163    HB3  MET  25           2HB      MET  25   6.660  -8.336  -7.472
  164    HG2  MET  25           1HG      MET  25   3.925  -9.277  -8.260
  165    HG3  MET  25           2HG      MET  25   5.085  -8.930  -9.538
  166    HE1  MET  25           3HE      MET  25   8.140 -10.833  -8.647
  167    HE2  MET  25           1HE      MET  25   7.360  -9.442  -9.410
  168    HE3  MET  25           2HE      MET  25   7.189 -11.049 -10.114
  169    H    GLU  26           H        GLU  26   3.647  -8.871  -4.257
  170    HA   GLU  26           HA       GLU  26   5.144 -11.367  -4.060
  171    HB2  GLU  26           1HB      GLU  26   4.964  -9.328  -1.830
  172    HB3  GLU  26           2HB      GLU  26   5.449 -11.008  -1.593
  173    HG2  GLU  26           1HG      GLU  26   7.308 -10.694  -3.192
  174    HG3  GLU  26           2HG      GLU  26   6.833  -9.013  -3.411
  175    H    PHE  27           H        PHE  27   4.174 -12.594  -2.050
  176    HA   PHE  27           HA       PHE  27   1.502 -13.202  -2.650
  177    HB2  PHE  27           2HB      PHE  27   2.967 -14.801  -1.527
  178    HB3  PHE  27           1HB      PHE  27   3.060 -13.752  -0.113
  179    HD1  PHE  27           1HD      PHE  27   0.592 -15.549  -2.280
  180    HD2  PHE  27           2HD      PHE  27   1.472 -13.954   1.609
  181    HE1  PHE  27           1HE      PHE  27  -1.494 -16.555  -1.396
  182    HE2  PHE  27           2HE      PHE  27  -0.614 -14.958   2.494
  183    HZ   PHE  27           HZ       PHE  27  -2.099 -16.258   0.991
  184    H    ILE  28           H        ILE  28   2.889 -11.269  -0.010
  185    HA   ILE  28           HA       ILE  28   0.217 -10.072   0.423
  186    HB   ILE  28           HB       ILE  28   1.105  -9.713   2.814
  187   HG12  ILE  28          1HG1      ILE  28   2.817 -12.086   2.035
  188   HG13  ILE  28          2HG1      ILE  28   3.451 -10.447   2.156
  189   HG21  ILE  28          1HG2      ILE  28   0.635 -12.376   3.136
  190   HG22  ILE  28          2HG2      ILE  28  -0.015 -12.124   1.515
  191   HG23  ILE  28          3HG2      ILE  28  -0.635 -11.182   2.872
  192   HD11  ILE  28          3HD1      ILE  28   2.048 -11.932   4.396
  193   HD12  ILE  28          1HD1      ILE  28   2.760 -10.322   4.503
  194   HD13  ILE  28          2HD1      ILE  28   3.795 -11.730   4.256
  195    HA   PRO  29           HA       PRO  29   3.198  -6.767  -0.981
  196    HB2  PRO  29           2HB      PRO  29   0.560  -5.585  -1.693
  197    HB3  PRO  29           1HB      PRO  29   2.048  -5.683  -2.655
  198    HG2  PRO  29           2HG      PRO  29  -0.036  -7.237  -3.173
  199    HG3  PRO  29           1HG      PRO  29   1.618  -7.858  -3.320
  200    HD2  PRO  29           2HD      PRO  29  -0.407  -8.344  -1.160
  201    HD3  PRO  29           1HD      PRO  29   0.800  -9.454  -1.847
  202    H    HIS  30           H        HIS  30   3.620  -4.784  -0.016
  203    HA   HIS  30           HA       HIS  30   1.705  -3.892   2.056
  204    HB2  HIS  30           1HB      HIS  30   4.708  -4.019   2.266
  205    HB3  HIS  30           2HB      HIS  30   3.664  -3.224   3.413
  206    HD1  HIS  30           HD1      HIS  30   4.889  -6.562   2.409
  207    HD2  HIS  30           HD2      HIS  30   1.878  -5.012   4.844
  208    HE1  HIS  30           HE1      HIS  30   4.078  -8.479   3.853
  209    H    CYS  31           H        CYS  31   1.577  -1.664   2.429
  210    HA   CYS  31           HA       CYS  31   1.974  -0.030   0.126
  211    HB2  CYS  31           2HB      CYS  31   1.159   0.526   2.972
  212    HB3  CYS  31           1HB      CYS  31   1.339   1.823   1.800
  213    H    LYS  32           H        LYS  32   3.910   0.624  -0.533
  214    HA   LYS  32           HA       LYS  32   5.885   1.517   1.509
  215    HB2  LYS  32           1HB      LYS  32   6.409   0.356  -1.215
  216    HB3  LYS  32           2HB      LYS  32   7.645   0.876  -0.077
  217    HG2  LYS  32           1HG      LYS  32   5.661  -1.379   0.281
  218    HG3  LYS  32           2HG      LYS  32   7.393  -1.546   0.010
  219    HD2  LYS  32           1HD      LYS  32   7.601  -0.023   2.143
  220    HD3  LYS  32           2HD      LYS  32   5.954  -0.570   2.464
  221    HE2  LYS  32           1HE      LYS  32   6.731  -2.925   2.271
  222    HE3  LYS  32           2HE      LYS  32   8.377  -2.346   2.043
  223    HZ1  LYS  32           3HZ      LYS  32   8.175  -2.825   4.316
  224    HZ2  LYS  32           1HZ      LYS  32   6.663  -2.069   4.438
  225    HZ3  LYS  32           2HZ      LYS  32   8.062  -1.133   4.212
  226    H    LYS  33           H        LYS  33   7.364   3.200   0.785
  227    HA   LYS  33           HA       LYS  33   5.940   5.200  -0.823
  228    HB2  LYS  33           1HB      LYS  33   8.294   5.368   1.070
  229    HB3  LYS  33           2HB      LYS  33   7.650   6.741   0.172
  230    HG2  LYS  33           1HG      LYS  33   5.477   6.483   1.244
  231    HG3  LYS  33           2HG      LYS  33   6.024   5.018   2.059
  232    HD2  LYS  33           1HD      LYS  33   7.731   6.316   3.271
  233    HD3  LYS  33           2HD      LYS  33   7.198   7.787   2.456
  234    HE2  LYS  33           1HE      LYS  33   5.002   7.613   3.468
  235    HE3  LYS  33           2HE      LYS  33   5.408   6.059   4.181
  236    HZ1  LYS  33           3HZ      LYS  33   5.682   7.674   5.857
  237    HZ2  LYS  33           1HZ      LYS  33   6.554   8.711   4.835
  238    HZ3  LYS  33           2HZ      LYS  33   7.251   7.251   5.358
  239    H    TYR  34           H        TYR  34   6.691   3.642  -2.733
  240    HA   TYR  34           HA       TYR  34   8.241   3.126  -4.421
  241    HB2  TYR  34           2HB      TYR  34   7.974   6.107  -4.268
  242    HB3  TYR  34           1HB      TYR  34   8.803   5.298  -5.586
  243    HD1  TYR  34           1HD      TYR  34   5.554   5.718  -3.884
  244    HD2  TYR  34           2HD      TYR  34   7.633   4.009  -7.236
  245    HE1  TYR  34           1HE      TYR  34   3.395   5.250  -4.995
  246    HE2  TYR  34           2HE      TYR  34   5.463   3.539  -8.340
  247    HH   TYR  34           HH       TYR  34   2.378   4.410  -6.771
  248    H    LYS  35           H        LYS  35  10.381   5.031  -5.193
  249    HA   LYS  35           HA       LYS  35  12.315   4.561  -3.024
  250    HB2  LYS  35           1HB      LYS  35  13.986   4.013  -4.837
  251    HB3  LYS  35           2HB      LYS  35  12.726   2.802  -4.602
  252    HG2  LYS  35           1HG      LYS  35  12.151   4.965  -6.567
  253    HG3  LYS  35           2HG      LYS  35  13.361   3.773  -7.038
  254    HD2  LYS  35           1HD      LYS  35  11.739   1.957  -6.549
  255    HD3  LYS  35           2HD      LYS  35  10.523   3.166  -6.136
  256    HE2  LYS  35           1HE      LYS  35  11.920   3.090  -8.819
  257    HE3  LYS  35           2HE      LYS  35  10.383   2.280  -8.510
  258    HZ1  LYS  35           3HZ      LYS  35  10.277   4.925  -7.541
  259    HZ2  LYS  35           1HZ      LYS  35   9.330   4.197  -8.745
  260    HZ3  LYS  35           2HZ      LYS  35  10.798   4.948  -9.158
  261    HA   PRO  36           HA       PRO  36  12.347   8.875  -4.923
  262    HB2  PRO  36           2HB      PRO  36  11.656  10.251  -2.659
  263    HB3  PRO  36           1HB      PRO  36  10.466   9.640  -3.824
  264    HG2  PRO  36           2HG      PRO  36  11.317   8.492  -1.209
  265    HG3  PRO  36           1HG      PRO  36   9.698   8.596  -1.926
  266    HD2  PRO  36           2HD      PRO  36  11.173   6.298  -1.967
  267    HD3  PRO  36           1HD      PRO  36  10.004   6.711  -3.241
  268    H    TYR  37           H        TYR  37  14.060  10.305  -4.708
  269    HA   TYR  37           HA       TYR  37  16.082   9.572  -2.680
  270    HB2  TYR  37           2HB      TYR  37  16.424  10.864  -5.395
  271    HB3  TYR  37           1HB      TYR  37  17.728  10.513  -4.260
  272    HD1  TYR  37           1HD      TYR  37  15.117   9.014  -6.408
  273    HD2  TYR  37           2HD      TYR  37  18.555   8.274  -3.942
  274    HE1  TYR  37           1HE      TYR  37  15.238   6.698  -7.275
  275    HE2  TYR  37           2HE      TYR  37  18.675   5.953  -4.808
  276    HH   TYR  37           HH       TYR  37  17.898   4.532  -6.362
  277    H    VAL  38           H        VAL  38  13.783  11.837  -3.258
  278    HA   VAL  38           HA       VAL  38  15.314  13.881  -1.793
  279    HB   VAL  38           HB       VAL  38  14.071  15.623  -3.113
  280   HG11  VAL  38          1HG1      VAL  38  15.456  15.254  -5.204
  281   HG12  VAL  38          2HG1      VAL  38  15.911  13.684  -4.539
  282   HG13  VAL  38          3HG1      VAL  38  16.362  15.164  -3.693
  283   HG21  VAL  38          3HG2      VAL  38  12.219  14.226  -3.907
  284   HG22  VAL  38          1HG2      VAL  38  13.346  13.192  -4.786
  285   HG23  VAL  38          2HG2      VAL  38  13.109  14.866  -5.288
  286    HA   PRO  39           HA       PRO  39  11.796  13.826   0.914
  287    HB2  PRO  39           2HB      PRO  39  11.967  16.319   2.019
  288    HB3  PRO  39           1HB      PRO  39  13.073  14.996   2.438
  289    HG2  PRO  39           2HG      PRO  39  13.481  17.286   0.570
  290    HG3  PRO  39           1HG      PRO  39  14.598  16.576   1.747
  291    HD2  PRO  39           2HD      PRO  39  14.744  16.011  -0.914
  292    HD3  PRO  39           1HD      PRO  39  15.201  14.838   0.338
  293    H    VAL  40           H        VAL  40   9.641  14.500   1.030
  294    HA   VAL  40           HA       VAL  40   8.485  15.617  -1.290
  295    HB   VAL  40           HB       VAL  40   7.382  15.174   1.488
  296   HG11  VAL  40          1HG1      VAL  40   5.990  16.874   0.613
  297   HG12  VAL  40          2HG1      VAL  40   5.153  15.381   0.188
  298   HG13  VAL  40          3HG1      VAL  40   6.101  16.237  -1.028
  299   HG21  VAL  40          3HG2      VAL  40   6.299  13.671  -0.775
  300   HG22  VAL  40          1HG2      VAL  40   6.925  13.078   0.764
  301   HG23  VAL  40          2HG2      VAL  40   8.032  13.412  -0.567
  302    H    THR  41           H        THR  41   9.113  16.995   1.925
  303    HA   THR  41           HA       THR  41   8.036  19.571   1.262
  304    HB   THR  41           HB       THR  41   9.876  18.741   3.521
  305    HG1  THR  41           1HG      THR  41   7.946  17.673   3.675
  306   HG21  THR  41          3HG2      THR  41   9.998  21.118   3.267
  307   HG22  THR  41          1HG2      THR  41   8.859  20.819   4.581
  308   HG23  THR  41          2HG2      THR  41   8.263  21.240   2.974
  309    H    THR  42           H        THR  42   9.009  21.255   0.312
  310    HA   THR  42           HA       THR  42  11.952  21.259   0.085
  311    HB   THR  42           HB       THR  42  10.162  22.055  -2.207
  312    HG1  THR  42           1HG      THR  42  10.319  20.029  -2.968
  313   HG21  THR  42          3HG2      THR  42  12.235  21.750  -3.488
  314   HG22  THR  42          1HG2      THR  42  13.075  21.233  -2.025
  315   HG23  THR  42          2HG2      THR  42  12.491  22.892  -2.169
  Start of MODEL    3
    1    HA   ASP   1           HA       ASP   1 -10.403   2.175   6.937
    2    HB2  ASP   1           1HB      ASP   1 -12.658   1.688   4.970
    3    HB3  ASP   1           2HB      ASP   1 -11.804   0.452   5.891
    4    H    CYS   2           H        CYS   2  -8.402   2.366   6.022
    5    HA   CYS   2           HA       CYS   2  -8.099   1.385   3.307
    6    HB2  CYS   2           2HB      CYS   2  -6.807   3.276   2.506
    7    HB3  CYS   2           1HB      CYS   2  -8.404   3.837   3.002
    8    H    ALA   3           H        ALA   3  -5.713   1.207   2.750
    9    HA   ALA   3           HA       ALA   3  -4.312   0.206   5.124
   10    HB1  ALA   3           3HB      ALA   3  -3.392  -1.323   3.738
   11    HB2  ALA   3           1HB      ALA   3  -2.972  -0.104   2.537
   12    HB3  ALA   3           2HB      ALA   3  -4.594  -0.794   2.561
   13    H    LYS   4           H        LYS   4  -2.956   1.525   6.137
   14    HA   LYS   4           HA       LYS   4  -1.925   3.921   4.926
   15    HB2  LYS   4           1HB      LYS   4  -2.442   3.222   7.491
   16    HB3  LYS   4           2HB      LYS   4  -0.706   2.923   7.436
   17    HG2  LYS   4           1HG      LYS   4  -0.757   5.174   8.027
   18    HG3  LYS   4           2HG      LYS   4  -0.635   5.292   6.272
   19    HD2  LYS   4           1HD      LYS   4  -3.231   5.282   6.302
   20    HD3  LYS   4           2HD      LYS   4  -3.065   5.663   8.017
   21    HE2  LYS   4           1HE      LYS   4  -3.200   7.776   6.947
   22    HE3  LYS   4           2HE      LYS   4  -1.481   7.548   7.270
   23    HZ1  LYS   4           3HZ      LYS   4  -1.068   6.983   5.057
   24    HZ2  LYS   4           1HZ      LYS   4  -2.129   8.302   4.955
   25    HZ3  LYS   4           2HZ      LYS   4  -2.712   6.725   4.710
   26    H    GLU   5           H        GLU   5   0.650   4.129   5.830
   27    HA   GLU   5           HA       GLU   5   2.123   2.779   3.837
   28    HB2  GLU   5           1HB      GLU   5   2.846   4.924   4.736
   29    HB3  GLU   5           2HB      GLU   5   3.080   4.202   6.330
   30    HG2  GLU   5           1HG      GLU   5   4.852   2.786   5.507
   31    HG3  GLU   5           2HG      GLU   5   4.523   3.254   3.840
   32    H    GLY   6           H        GLY   6   3.029   0.842   3.784
   33    HA2  GLY   6           1HA      GLY   6   4.069  -1.097   4.498
   34    HA3  GLY   6           2HA      GLY   6   4.000  -0.500   6.148
   35    H    GLU   7           H        GLU   7   0.967  -0.173   4.835
   36    HA   GLU   7           HA       GLU   7   0.020  -2.507   6.310
   37    HB2  GLU   7           1HB      GLU   7  -1.530  -0.321   4.902
   38    HB3  GLU   7           2HB      GLU   7  -2.213  -1.564   5.949
   39    HG2  GLU   7           1HG      GLU   7  -0.094   0.413   6.829
   40    HG3  GLU   7           2HG      GLU   7  -1.818   0.616   7.129
   41    H    VAL   8           H        VAL   8  -1.365  -4.092   5.396
   42    HA   VAL   8           HA       VAL   8  -0.513  -5.101   2.933
   43    HB   VAL   8           HB       VAL   8  -2.991  -5.694   4.553
   44   HG11  VAL   8          1HG1      VAL   8  -1.864  -6.992   2.065
   45   HG12  VAL   8          2HG1      VAL   8  -3.505  -6.414   2.343
   46   HG13  VAL   8          3HG1      VAL   8  -2.927  -7.856   3.174
   47   HG21  VAL   8          3HG2      VAL   8  -0.317  -7.097   4.235
   48   HG22  VAL   8          1HG2      VAL   8  -1.678  -7.723   5.162
   49   HG23  VAL   8          2HG2      VAL   8  -0.877  -6.237   5.669
   50    H    CYS   9           H        CYS   9  -1.174  -4.847   0.848
   51    HA   CYS   9           HA       CYS   9  -3.692  -3.353   0.397
   52    HB2  CYS   9           2HB      CYS   9  -2.628  -1.959  -1.278
   53    HB3  CYS   9           1HB      CYS   9  -1.767  -1.785   0.249
   54    H    SER  10           H        SER  10  -3.244  -3.203  -2.432
   55    HA   SER  10           HA       SER  10  -3.616  -4.413  -4.342
   56    HB2  SER  10           1HB      SER  10  -1.413  -5.439  -3.549
   57    HB3  SER  10           2HB      SER  10  -2.375  -6.785  -2.958
   58    HG   SER  10           HG       SER  10  -1.805  -5.970  -5.551
   59    H    TRP  11           H        TRP  11  -3.828  -7.531  -3.730
   60    HA   TRP  11           HA       TRP  11  -6.588  -7.743  -4.059
   61    HB2  TRP  11           2HB      TRP  11  -6.332 -10.082  -3.611
   62    HB3  TRP  11           1HB      TRP  11  -4.863  -9.561  -4.430
   63    HD1  TRP  11           1HD      TRP  11  -2.624  -9.411  -2.996
   64    HE1  TRP  11           1HE      TRP  11  -1.968 -10.417  -0.715
   65    HE3  TRP  11           3HE      TRP  11  -7.232 -10.748  -1.270
   66    HZ2  TRP  11           2HZ      TRP  11  -3.235 -11.634   1.546
   67    HZ3  TRP  11           3HZ      TRP  11  -7.484 -11.830   0.948
   68    HH2  TRP  11           2HH      TRP  11  -5.494 -12.273   2.355
   69    H    GLY  12           H        GLY  12  -4.643  -7.489  -1.137
   70    HA2  GLY  12           1HA      GLY  12  -6.617  -8.315   0.714
   71    HA3  GLY  12           2HA      GLY  12  -5.247  -7.271   1.074
   72    H    LYS  13           H        LYS  13  -5.817  -5.133  -0.646
   73    HA   LYS  13           HA       LYS  13  -8.440  -4.130  -0.495
   74    HB2  LYS  13           1HB      LYS  13  -7.451  -4.188   2.032
   75    HB3  LYS  13           2HB      LYS  13  -6.850  -2.619   1.505
   76    HG2  LYS  13           1HG      LYS  13  -8.954  -2.069   2.363
   77    HG3  LYS  13           2HG      LYS  13  -9.296  -2.256   0.644
   78    HD2  LYS  13           1HD      LYS  13 -10.102  -4.542   1.021
   79    HD3  LYS  13           2HD      LYS  13  -9.675  -4.429   2.729
   80    HE2  LYS  13           1HE      LYS  13 -11.282  -2.591   3.024
   81    HE3  LYS  13           2HE      LYS  13 -11.693  -2.665   1.309
   82    HZ1  LYS  13           3HZ      LYS  13 -12.876  -4.088   3.321
   83    HZ2  LYS  13           1HZ      LYS  13 -11.865  -5.220   2.564
   84    HZ3  LYS  13           2HZ      LYS  13 -13.029  -4.384   1.655
   85    H    LYS  14           H        LYS  14  -7.741  -1.393   0.073
   86    HA   LYS  14           HA       LYS  14  -5.927  -0.799  -2.188
   87    HB2  LYS  14           1HB      LYS  14  -8.473   0.600  -1.330
   88    HB3  LYS  14           2HB      LYS  14  -7.353   1.215  -2.547
   89    HG2  LYS  14           1HG      LYS  14  -7.764  -0.625  -4.004
   90    HG3  LYS  14           2HG      LYS  14  -8.561  -1.546  -2.731
   91    HD2  LYS  14           1HD      LYS  14 -10.262  -0.658  -4.218
   92    HD3  LYS  14           2HD      LYS  14 -10.369   0.184  -2.676
   93    HE2  LYS  14           1HE      LYS  14  -9.200   2.106  -3.567
   94    HE3  LYS  14           2HE      LYS  14  -8.850   1.251  -5.071
   95    HZ1  LYS  14           3HZ      LYS  14 -10.740   2.116  -5.818
   96    HZ2  LYS  14           1HZ      LYS  14 -11.210   2.646  -4.278
   97    HZ3  LYS  14           2HZ      LYS  14 -11.560   1.059  -4.772
   98    H    CYS  15           H        CYS  15  -4.296   0.528  -1.773
   99    HA   CYS  15           HA       CYS  15  -3.761   1.372   0.906
  100    HB2  CYS  15           2HB      CYS  15  -2.122   0.747  -1.016
  101    HB3  CYS  15           1HB      CYS  15  -2.345   2.418  -1.522
  102    H    CYS  16           H        CYS  16  -4.265   3.245   1.875
  103    HA   CYS  16           HA       CYS  16  -6.148   5.020   1.106
  104    HB2  CYS  16           2HB      CYS  16  -4.184   4.930   3.124
  105    HB3  CYS  16           1HB      CYS  16  -4.065   6.528   2.390
  106    H    ASP  17           H        ASP  17  -2.801   5.028   0.089
  107    HA   ASP  17           HA       ASP  17  -3.492   7.010  -1.972
  108    HB2  ASP  17           1HB      ASP  17  -1.194   7.161  -0.029
  109    HB3  ASP  17           2HB      ASP  17  -1.158   7.997  -1.579
  110    H    LEU  18           H        LEU  18  -3.383   5.665  -3.694
  111    HA   LEU  18           HA       LEU  18  -1.244   3.721  -3.944
  112    HB2  LEU  18           1HB      LEU  18  -3.574   4.506  -5.704
  113    HB3  LEU  18           2HB      LEU  18  -2.383   3.299  -6.186
  114    HG   LEU  18           HG       LEU  18  -3.815   3.101  -3.532
  115   HD11  LEU  18          1HD1      LEU  18  -5.419   1.570  -4.662
  116   HD12  LEU  18          2HD1      LEU  18  -4.726   2.032  -6.218
  117   HD13  LEU  18          3HD1      LEU  18  -5.563   3.233  -5.233
  118   HD21  LEU  18          3HD2      LEU  18  -2.761   1.099  -3.376
  119   HD22  LEU  18          1HD2      LEU  18  -1.758   1.619  -4.730
  120   HD23  LEU  18          2HD2      LEU  18  -3.207   0.660  -5.020
  121    H    ASP  19           H        ASP  19  -1.655   6.995  -4.631
  122    HA   ASP  19           HA       ASP  19   0.075   7.036  -6.972
  123    HB2  ASP  19           1HB      ASP  19  -0.241   9.465  -6.878
  124    HB3  ASP  19           2HB      ASP  19  -1.791   8.629  -6.792
  125    H    ASN  20           H        ASN  20   0.368   7.234  -3.549
  126    HA   ASN  20           HA       ASN  20   3.125   8.272  -3.792
  127    HB2  ASN  20           1HB      ASN  20   1.260   8.238  -1.418
  128    HB3  ASN  20           2HB      ASN  20   2.925   8.793  -1.374
  129   HD21  ASN  20          1HD2      ASN  20   0.027  11.247  -2.613
  130   HD22  ASN  20          2HD2      ASN  20  -0.279   9.748  -1.887
  131    H    PHE  21           H        PHE  21   1.230   5.524  -3.086
  132    HA   PHE  21           HA       PHE  21   3.635   4.128  -2.124
  133    HB2  PHE  21           2HB      PHE  21   0.813   3.730  -1.118
  134    HB3  PHE  21           1HB      PHE  21   2.213   2.773  -0.637
  135    HD1  PHE  21           1HD      PHE  21   0.815   6.202  -0.664
  136    HD2  PHE  21           2HD      PHE  21   3.739   3.572   1.055
  137    HE1  PHE  21           1HE      PHE  21   1.324   7.904   1.054
  138    HE2  PHE  21           2HE      PHE  21   4.251   5.283   2.773
  139    HZ   PHE  21           HZ       PHE  21   3.049   7.448   2.775
  140    H    TYR  22           H        TYR  22   3.811   1.931  -2.738
  141    HA   TYR  22           HA       TYR  22   1.973   1.108  -4.913
  142    HB2  TYR  22           2HB      TYR  22   3.825   0.193  -6.121
  143    HB3  TYR  22           1HB      TYR  22   4.277   1.831  -5.671
  144    HD1  TYR  22           1HD      TYR  22   4.732  -1.764  -4.789
  145    HD2  TYR  22           2HD      TYR  22   6.042   2.274  -4.209
  146    HE1  TYR  22           1HE      TYR  22   6.784  -2.571  -3.771
  147    HE2  TYR  22           2HE      TYR  22   8.082   1.462  -3.154
  148    HH   TYR  22           HH       TYR  22   9.037  -0.405  -2.172
  149    H    CYS  23           H        CYS  23   1.935  -1.252  -5.267
  150    HA   CYS  23           HA       CYS  23   2.050  -2.652  -2.709
  151    HB2  CYS  23           2HB      CYS  23   0.496  -3.187  -5.213
  152    HB3  CYS  23           1HB      CYS  23   0.591  -4.321  -3.872
  153    HA   PRO  24           HA       PRO  24   5.830  -4.580  -4.501
  154    HB2  PRO  24           2HB      PRO  24   5.454  -6.244  -2.052
  155    HB3  PRO  24           1HB      PRO  24   6.897  -5.416  -2.636
  156    HG2  PRO  24           2HG      PRO  24   5.514  -4.477  -0.591
  157    HG3  PRO  24           1HG      PRO  24   6.285  -3.413  -1.758
  158    HD2  PRO  24           2HD      PRO  24   3.407  -4.070  -1.435
  159    HD3  PRO  24           1HD      PRO  24   4.174  -2.583  -2.004
  160    H    MET  25           H        MET  25   6.254  -6.565  -5.487
  161    HA   MET  25           HA       MET  25   3.918  -8.171  -6.107
  162    HB2  MET  25           1HB      MET  25   5.640  -7.535  -7.820
  163    HB3  MET  25           2HB      MET  25   6.786  -8.585  -6.989
  164    HG2  MET  25           1HG      MET  25   5.801  -9.840  -8.818
  165    HG3  MET  25           2HG      MET  25   5.177 -10.488  -7.306
  166    HE1  MET  25           3HE      MET  25   3.817  -7.059  -9.339
  167    HE2  MET  25           1HE      MET  25   3.153  -8.130 -10.581
  168    HE3  MET  25           2HE      MET  25   4.861  -8.215 -10.159
  169    H    GLU  26           H        GLU  26   3.415  -9.223  -4.165
  170    HA   GLU  26           HA       GLU  26   4.922 -11.627  -3.684
  171    HB2  GLU  26           1HB      GLU  26   5.674  -9.419  -2.189
  172    HB3  GLU  26           2HB      GLU  26   4.542 -10.264  -1.131
  173    HG2  GLU  26           1HG      GLU  26   6.708 -11.199  -0.696
  174    HG3  GLU  26           2HG      GLU  26   5.824 -12.395  -1.642
  175    H    PHE  27           H        PHE  27   3.873 -12.655  -1.552
  176    HA   PHE  27           HA       PHE  27   1.211 -13.260  -2.203
  177    HB2  PHE  27           2HB      PHE  27   2.660 -14.772  -0.900
  178    HB3  PHE  27           1HB      PHE  27   2.619 -13.638   0.450
  179    HD1  PHE  27           1HD      PHE  27   0.369 -15.592  -1.806
  180    HD2  PHE  27           2HD      PHE  27   0.895 -13.782   2.052
  181    HE1  PHE  27           1HE      PHE  27  -1.767 -16.596  -1.045
  182    HE2  PHE  27           2HE      PHE  27  -1.242 -14.784   2.814
  183    HZ   PHE  27           HZ       PHE  27  -2.573 -16.193   1.266
  184    H    ILE  28           H        ILE  28   2.546 -11.177   0.348
  185    HA   ILE  28           HA       ILE  28  -0.104  -9.889   0.591
  186    HB   ILE  28           HB       ILE  28   0.659  -9.454   3.014
  187   HG12  ILE  28          1HG1      ILE  28   2.329 -11.912   2.423
  188   HG13  ILE  28          2HG1      ILE  28   3.009 -10.288   2.525
  189   HG21  ILE  28          1HG2      ILE  28  -1.142 -10.858   3.007
  190   HG22  ILE  28          2HG2      ILE  28   0.065 -12.072   3.430
  191   HG23  ILE  28          3HG2      ILE  28  -0.458 -11.893   1.754
  192   HD11  ILE  28          3HD1      ILE  28   2.028 -10.086   4.825
  193   HD12  ILE  28          1HD1      ILE  28   3.250 -11.349   4.694
  194   HD13  ILE  28          2HD1      ILE  28   1.540 -11.776   4.717
  195    HA   PRO  29           HA       PRO  29   3.074  -6.757  -0.800
  196    HB2  PRO  29           2HB      PRO  29   0.483  -5.557  -1.680
  197    HB3  PRO  29           1HB      PRO  29   2.020  -5.688  -2.558
  198    HG2  PRO  29           2HG      PRO  29  -0.037  -7.249  -3.145
  199    HG3  PRO  29           1HG      PRO  29   1.616  -7.889  -3.171
  200    HD2  PRO  29           2HD      PRO  29  -0.544  -8.291  -1.128
  201    HD3  PRO  29           1HD      PRO  29   0.705  -9.426  -1.690
  202    H    HIS  30           H        HIS  30   3.554  -4.813   0.194
  203    HA   HIS  30           HA       HIS  30   1.534  -3.769   2.106
  204    HB2  HIS  30           1HB      HIS  30   4.521  -3.952   2.485
  205    HB3  HIS  30           2HB      HIS  30   3.414  -3.125   3.574
  206    HD1  HIS  30           HD1      HIS  30   4.523  -6.535   2.513
  207    HD2  HIS  30           HD2      HIS  30   1.672  -4.845   5.040
  208    HE1  HIS  30           HE1      HIS  30   3.633  -8.423   3.951
  209    H    CYS  31           H        CYS  31   1.452  -1.524   2.367
  210    HA   CYS  31           HA       CYS  31   1.987   0.010   0.046
  211    HB2  CYS  31           2HB      CYS  31   1.335   0.799   2.877
  212    HB3  CYS  31           1HB      CYS  31   1.450   1.961   1.563
  213    H    LYS  32           H        LYS  32   3.873   0.768  -0.654
  214    HA   LYS  32           HA       LYS  32   5.920   1.569   1.343
  215    HB2  LYS  32           1HB      LYS  32   6.322   0.203  -1.296
  216    HB3  LYS  32           2HB      LYS  32   7.629   0.832  -0.303
  217    HG2  LYS  32           1HG      LYS  32   5.664  -1.336   0.459
  218    HG3  LYS  32           2HG      LYS  32   7.348  -1.590   0.018
  219    HD2  LYS  32           1HD      LYS  32   7.801   0.161   1.952
  220    HD3  LYS  32           2HD      LYS  32   6.220  -0.372   2.523
  221    HE2  LYS  32           1HE      LYS  32   8.554  -2.210   1.915
  222    HE3  LYS  32           2HE      LYS  32   8.049  -1.710   3.528
  223    HZ1  LYS  32           3HZ      LYS  32   7.185  -3.919   2.626
  224    HZ2  LYS  32           1HZ      LYS  32   6.148  -2.981   1.666
  225    HZ3  LYS  32           2HZ      LYS  32   6.069  -2.869   3.359
  226    H    LYS  33           H        LYS  33   6.643   3.574   1.158
  227    HA   LYS  33           HA       LYS  33   5.577   5.361  -0.772
  228    HB2  LYS  33           1HB      LYS  33   6.326   5.914   1.578
  229    HB3  LYS  33           2HB      LYS  33   7.978   5.861   0.972
  230    HG2  LYS  33           1HG      LYS  33   7.553   7.636  -0.598
  231    HG3  LYS  33           2HG      LYS  33   5.823   7.598  -0.257
  232    HD2  LYS  33           1HD      LYS  33   7.743   8.095   1.994
  233    HD3  LYS  33           2HD      LYS  33   7.346   9.413   0.894
  234    HE2  LYS  33           1HE      LYS  33   4.929   9.039   1.345
  235    HE3  LYS  33           2HE      LYS  33   5.352   7.770   2.493
  236    HZ1  LYS  33           3HZ      LYS  33   6.473   9.335   3.860
  237    HZ2  LYS  33           1HZ      LYS  33   4.952   9.992   3.503
  238    HZ3  LYS  33           2HZ      LYS  33   6.334  10.564   2.695
  239    H    TYR  34           H        TYR  34   6.330   6.103  -2.630
  240    HA   TYR  34           HA       TYR  34   9.074   5.829  -3.454
  241    HB2  TYR  34           2HB      TYR  34   8.729   4.380  -5.272
  242    HB3  TYR  34           1HB      TYR  34   7.944   3.624  -3.903
  243    HD1  TYR  34           1HD      TYR  34   7.520   3.742  -7.165
  244    HD2  TYR  34           2HD      TYR  34   5.356   5.105  -3.712
  245    HE1  TYR  34           1HE      TYR  34   5.403   3.682  -8.438
  246    HE2  TYR  34           2HE      TYR  34   3.264   5.061  -4.992
  247    HH   TYR  34           HH       TYR  34   2.845   5.271  -7.801
  248    H    LYS  35           H        LYS  35   9.363   6.672  -5.687
  249    HA   LYS  35           HA       LYS  35   7.375   8.744  -6.330
  250    HB2  LYS  35           1HB      LYS  35  10.369   9.042  -6.308
  251    HB3  LYS  35           2HB      LYS  35   9.213  10.272  -6.807
  252    HG2  LYS  35           1HG      LYS  35   9.405  10.917  -4.610
  253    HG3  LYS  35           2HG      LYS  35   8.157   9.698  -4.404
  254    HD2  LYS  35           1HD      LYS  35   9.883   9.324  -2.744
  255    HD3  LYS  35           2HD      LYS  35   9.940   7.992  -3.903
  256    HE2  LYS  35           1HE      LYS  35  12.007   8.598  -4.647
  257    HE3  LYS  35           2HE      LYS  35  11.627  10.320  -4.621
  258    HZ1  LYS  35           3HZ      LYS  35  13.091   8.863  -2.754
  259    HZ2  LYS  35           1HZ      LYS  35  11.658   9.350  -1.989
  260    HZ3  LYS  35           2HZ      LYS  35  12.673  10.509  -2.702
  261    HA   PRO  36           HA       PRO  36   8.337   6.322 -10.132
  262    HB2  PRO  36           2HB      PRO  36   5.820   6.321 -11.165
  263    HB3  PRO  36           1HB      PRO  36   6.364   5.152  -9.946
  264    HG2  PRO  36           2HG      PRO  36   4.714   7.603  -9.615
  265    HG3  PRO  36           1HG      PRO  36   4.557   6.027  -8.829
  266    HD2  PRO  36           2HD      PRO  36   5.702   8.215  -7.642
  267    HD3  PRO  36           1HD      PRO  36   6.108   6.543  -7.189
  268    H    TYR  37           H        TYR  37   8.345   6.955 -12.367
  269    HA   TYR  37           HA       TYR  37   7.401   9.623 -13.050
  270    HB2  TYR  37           2HB      TYR  37   9.630  10.343 -13.819
  271    HB3  TYR  37           1HB      TYR  37   9.605  10.064 -12.079
  272    HD1  TYR  37           1HD      TYR  37  10.852   8.852 -15.325
  273    HD2  TYR  37           2HD      TYR  37  10.680   8.098 -11.100
  274    HE1  TYR  37           1HE      TYR  37  12.680   7.186 -15.546
  275    HE2  TYR  37           2HE      TYR  37  12.502   6.436 -11.318
  276    HH   TYR  37           HH       TYR  37  13.862   5.370 -12.710
  277    H    VAL  38           H        VAL  38   7.616  10.065 -15.366
  278    HA   VAL  38           HA       VAL  38   7.638   7.567 -16.915
  279    HB   VAL  38           HB       VAL  38   6.184   8.824 -18.536
  280   HG11  VAL  38          1HG1      VAL  38   5.424   8.224 -15.696
  281   HG12  VAL  38          2HG1      VAL  38   4.951   7.391 -17.178
  282   HG13  VAL  38          3HG1      VAL  38   4.227   8.945 -16.770
  283   HG21  VAL  38          3HG2      VAL  38   5.157  10.906 -17.779
  284   HG22  VAL  38          1HG2      VAL  38   6.911  11.100 -17.781
  285   HG23  VAL  38          2HG2      VAL  38   6.053  10.832 -16.263
  286    HA   PRO  39           HA       PRO  39  11.085   9.183 -19.211
  287    HB2  PRO  39           2HB      PRO  39  10.773   7.868 -21.585
  288    HB3  PRO  39           1HB      PRO  39  11.351   7.073 -20.106
  289    HG2  PRO  39           2HG      PRO  39   8.623   7.073 -21.313
  290    HG3  PRO  39           1HG      PRO  39   9.531   5.741 -20.577
  291    HD2  PRO  39           2HD      PRO  39   7.569   7.074 -19.234
  292    HD3  PRO  39           1HD      PRO  39   8.981   6.373 -18.414
  293    H    VAL  40           H        VAL  40  11.641  10.538 -21.029
  294    HA   VAL  40           HA       VAL  40   9.335  11.822 -22.364
  295    HB   VAL  40           HB       VAL  40  10.478  13.991 -22.126
  296   HG11  VAL  40          1HG1      VAL  40   8.827  13.336 -20.438
  297   HG12  VAL  40          2HG1      VAL  40  10.135  14.243 -19.679
  298   HG13  VAL  40          3HG1      VAL  40  10.073  12.488 -19.524
  299   HG21  VAL  40          3HG2      VAL  40  12.559  12.224 -20.901
  300   HG22  VAL  40          1HG2      VAL  40  12.336  13.829 -20.204
  301   HG23  VAL  40          2HG2      VAL  40  12.756  13.658 -21.907
  302    H    THR  41           H        THR  41   9.853  12.873 -24.384
  303    HA   THR  41           HA       THR  41  12.414  12.175 -25.616
  304    HB   THR  41           HB       THR  41  10.912  10.240 -26.047
  305    HG1  THR  41           1HG      THR  41  12.010  11.890 -27.950
  306   HG21  THR  41          3HG2      THR  41   8.910  10.507 -27.353
  307   HG22  THR  41          1HG2      THR  41   9.241  12.219 -27.613
  308   HG23  THR  41          2HG2      THR  41   8.807  11.639 -26.006
  309    H    THR  42           H        THR  42  12.886  13.395 -27.485
  310    HA   THR  42           HA       THR  42  11.214  15.815 -27.774
  311    HB   THR  42           HB       THR  42  14.059  15.582 -28.717
  312    HG1  THR  42           1HG      THR  42  13.677  16.759 -26.285
  313   HG21  THR  42          3HG2      THR  42  13.984  17.892 -28.792
  314   HG22  THR  42          1HG2      THR  42  12.775  18.001 -27.514
  315   HG23  THR  42          2HG2      THR  42  12.296  17.519 -29.141
  Start of MODEL    4
    1    HA   ASP   1           HA       ASP   1 -10.942   2.282   6.787
    2    HB2  ASP   1           1HB      ASP   1 -10.236  -0.575   6.513
    3    HB3  ASP   1           2HB      ASP   1 -10.162   0.472   7.929
    4    H    CYS   2           H        CYS   2  -8.556   1.663   6.216
    5    HA   CYS   2           HA       CYS   2  -8.139   0.927   3.439
    6    HB2  CYS   2           2HB      CYS   2  -8.535   3.158   2.917
    7    HB3  CYS   2           1HB      CYS   2  -7.840   3.742   4.429
    8    H    ALA   3           H        ALA   3  -5.839   0.838   2.880
    9    HA   ALA   3           HA       ALA   3  -4.268   0.034   5.229
   10    HB1  ALA   3           3HB      ALA   3  -3.341  -1.541   3.899
   11    HB2  ALA   3           1HB      ALA   3  -3.120  -0.411   2.562
   12    HB3  ALA   3           2HB      ALA   3  -4.681  -1.192   2.810
   13    H    LYS   4           H        LYS   4  -2.954   1.499   6.062
   14    HA   LYS   4           HA       LYS   4  -2.033   3.797   4.538
   15    HB2  LYS   4           1HB      LYS   4  -1.455   2.927   7.387
   16    HB3  LYS   4           2HB      LYS   4  -0.989   4.472   6.676
   17    HG2  LYS   4           1HG      LYS   4  -3.363   5.001   6.259
   18    HG3  LYS   4           2HG      LYS   4  -3.832   3.458   6.973
   19    HD2  LYS   4           1HD      LYS   4  -2.753   4.139   9.106
   20    HD3  LYS   4           2HD      LYS   4  -2.365   5.702   8.389
   21    HE2  LYS   4           1HE      LYS   4  -5.167   4.586   8.699
   22    HE3  LYS   4           2HE      LYS   4  -4.438   5.803   9.749
   23    HZ1  LYS   4           3HZ      LYS   4  -5.129   6.034   6.883
   24    HZ2  LYS   4           1HZ      LYS   4  -4.053   7.108   7.633
   25    HZ3  LYS   4           2HZ      LYS   4  -5.658   6.999   8.177
   26    H    GLU   5           H        GLU   5   0.488   4.300   5.363
   27    HA   GLU   5           HA       GLU   5   2.115   2.780   3.704
   28    HB2  GLU   5           1HB      GLU   5   2.743   4.992   4.575
   29    HB3  GLU   5           2HB      GLU   5   2.918   4.310   6.192
   30    HG2  GLU   5           1HG      GLU   5   4.725   2.859   5.438
   31    HG3  GLU   5           2HG      GLU   5   4.499   3.388   3.771
   32    H    GLY   6           H        GLY   6   3.095   0.875   3.852
   33    HA2  GLY   6           1HA      GLY   6   3.989  -1.060   4.709
   34    HA3  GLY   6           2HA      GLY   6   3.945  -0.328   6.300
   35    H    GLU   7           H        GLU   7   0.981  -0.411   4.504
   36    HA   GLU   7           HA       GLU   7   0.005  -2.541   6.319
   37    HB2  GLU   7           1HB      GLU   7  -1.582  -0.399   4.893
   38    HB3  GLU   7           2HB      GLU   7  -2.222  -1.592   6.020
   39    HG2  GLU   7           1HG      GLU   7  -0.085   0.442   6.715
   40    HG3  GLU   7           2HG      GLU   7  -1.794   0.622   7.101
   41    H    VAL   8           H        VAL   8  -1.355  -4.160   5.482
   42    HA   VAL   8           HA       VAL   8  -0.583  -5.202   3.007
   43    HB   VAL   8           HB       VAL   8  -3.027  -5.781   4.691
   44   HG11  VAL   8          1HG1      VAL   8  -2.507  -8.059   3.273
   45   HG12  VAL   8          2HG1      VAL   8  -2.113  -6.821   2.080
   46   HG13  VAL   8          3HG1      VAL   8  -3.717  -6.861   2.811
   47   HG21  VAL   8          3HG2      VAL   8  -1.732  -7.577   5.600
   48   HG22  VAL   8          1HG2      VAL   8  -0.686  -6.158   5.642
   49   HG23  VAL   8          2HG2      VAL   8  -0.471  -7.375   4.383
   50    H    CYS   9           H        CYS   9  -1.219  -4.853   0.962
   51    HA   CYS   9           HA       CYS   9  -3.807  -3.481   0.520
   52    HB2  CYS   9           2HB      CYS   9  -2.814  -2.042  -1.151
   53    HB3  CYS   9           1HB      CYS   9  -1.919  -1.851   0.357
   54    H    SER  10           H        SER  10  -3.400  -3.316  -2.303
   55    HA   SER  10           HA       SER  10  -3.741  -4.533  -4.213
   56    HB2  SER  10           1HB      SER  10  -1.482  -5.487  -3.527
   57    HB3  SER  10           2HB      SER  10  -2.365  -6.843  -2.833
   58    HG   SER  10           HG       SER  10  -2.749  -5.947  -5.490
   59    H    TRP  11           H        TRP  11  -3.810  -7.675  -3.470
   60    HA   TRP  11           HA       TRP  11  -6.536  -8.042  -3.870
   61    HB2  TRP  11           2HB      TRP  11  -6.192 -10.328  -3.251
   62    HB3  TRP  11           1HB      TRP  11  -4.708  -9.789  -4.038
   63    HD1  TRP  11           1HD      TRP  11  -2.551  -9.427  -2.514
   64    HE1  TRP  11           1HE      TRP  11  -1.961 -10.250  -0.144
   65    HE3  TRP  11           3HE      TRP  11  -7.171 -10.883  -0.917
   66    HZ2  TRP  11           2HZ      TRP  11  -3.279 -11.380   2.132
   67    HZ3  TRP  11           3HZ      TRP  11  -7.479 -11.830   1.355
   68    HH2  TRP  11           2HH      TRP  11  -5.539 -12.079   2.881
   69    H    GLY  12           H        GLY  12  -4.738  -7.508  -0.892
   70    HA2  GLY  12           1HA      GLY  12  -6.727  -8.301   0.939
   71    HA3  GLY  12           2HA      GLY  12  -5.442  -7.144   1.268
   72    H    LYS  13           H        LYS  13  -6.065  -5.145  -0.579
   73    HA   LYS  13           HA       LYS  13  -8.755  -4.329  -0.641
   74    HB2  LYS  13           1HB      LYS  13  -8.086  -4.233   1.941
   75    HB3  LYS  13           2HB      LYS  13  -7.363  -2.707   1.458
   76    HG2  LYS  13           1HG      LYS  13  -9.513  -1.962   0.519
   77    HG3  LYS  13           2HG      LYS  13 -10.244  -3.508   0.944
   78    HD2  LYS  13           1HD      LYS  13  -9.740  -3.078   3.333
   79    HD3  LYS  13           2HD      LYS  13  -9.068  -1.507   2.894
   80    HE2  LYS  13           1HE      LYS  13 -11.246  -0.827   1.962
   81    HE3  LYS  13           2HE      LYS  13 -11.922  -2.400   2.386
   82    HZ1  LYS  13           3HZ      LYS  13 -12.418  -0.687   4.045
   83    HZ2  LYS  13           1HZ      LYS  13 -10.758  -0.475   4.324
   84    HZ3  LYS  13           2HZ      LYS  13 -11.497  -1.957   4.697
   85    H    LYS  14           H        LYS  14  -7.851  -1.487   0.168
   86    HA   LYS  14           HA       LYS  14  -6.156  -0.905  -2.177
   87    HB2  LYS  14           1HB      LYS  14  -8.637   0.568  -1.246
   88    HB3  LYS  14           2HB      LYS  14  -7.530   1.141  -2.494
   89    HG2  LYS  14           1HG      LYS  14  -8.032  -0.706  -3.927
   90    HG3  LYS  14           2HG      LYS  14  -8.856  -1.571  -2.632
   91    HD2  LYS  14           1HD      LYS  14 -10.537  -0.631  -4.103
   92    HD3  LYS  14           2HD      LYS  14 -10.574   0.261  -2.583
   93    HE2  LYS  14           1HE      LYS  14  -9.329   2.095  -3.554
   94    HE3  LYS  14           2HE      LYS  14  -9.040   1.177  -5.033
   95    HZ1  LYS  14           3HZ      LYS  14 -11.010   1.781  -5.820
   96    HZ2  LYS  14           1HZ      LYS  14 -11.159   2.850  -4.512
   97    HZ3  LYS  14           2HZ      LYS  14 -11.808   1.283  -4.406
   98    H    CYS  15           H        CYS  15  -4.607   0.579  -1.876
   99    HA   CYS  15           HA       CYS  15  -3.937   1.288   0.835
  100    HB2  CYS  15           2HB      CYS  15  -2.337   0.646  -1.087
  101    HB3  CYS  15           1HB      CYS  15  -2.567   2.302  -1.637
  102    H    CYS  16           H        CYS  16  -3.837   3.388   1.703
  103    HA   CYS  16           HA       CYS  16  -5.898   5.135   1.014
  104    HB2  CYS  16           2HB      CYS  16  -3.372   5.548   2.614
  105    HB3  CYS  16           1HB      CYS  16  -4.641   6.764   2.498
  106    H    ASP  17           H        ASP  17  -2.472   5.218   0.167
  107    HA   ASP  17           HA       ASP  17  -3.111   7.242  -1.893
  108    HB2  ASP  17           1HB      ASP  17  -0.805   7.168   0.040
  109    HB3  ASP  17           2HB      ASP  17  -0.695   8.042  -1.488
  110    H    LEU  18           H        LEU  18  -3.201   5.834  -3.583
  111    HA   LEU  18           HA       LEU  18  -1.131   3.851  -3.995
  112    HB2  LEU  18           1HB      LEU  18  -3.530   4.713  -5.626
  113    HB3  LEU  18           2HB      LEU  18  -2.422   3.439  -6.131
  114    HG   LEU  18           HG       LEU  18  -3.712   3.346  -3.400
  115   HD11  LEU  18          1HD1      LEU  18  -5.564   3.585  -4.989
  116   HD12  LEU  18          2HD1      LEU  18  -5.491   1.918  -4.410
  117   HD13  LEU  18          3HD1      LEU  18  -4.873   2.323  -6.013
  118   HD21  LEU  18          3HD2      LEU  18  -2.623   1.264  -5.332
  119   HD22  LEU  18          1HD2      LEU  18  -3.452   0.873  -3.827
  120   HD23  LEU  18          2HD2      LEU  18  -1.917   1.735  -3.789
  121    H    ASP  19           H        ASP  19  -1.359   7.128  -4.525
  122    HA   ASP  19           HA       ASP  19   0.167   7.147  -7.020
  123    HB2  ASP  19           1HB      ASP  19  -0.937   9.352  -5.274
  124    HB3  ASP  19           2HB      ASP  19   0.022   9.643  -6.724
  125    H    ASN  20           H        ASN  20   0.626   7.617  -3.579
  126    HA   ASN  20           HA       ASN  20   3.421   8.436  -4.027
  127    HB2  ASN  20           1HB      ASN  20   1.734   8.478  -1.519
  128    HB3  ASN  20           2HB      ASN  20   3.400   9.014  -1.619
  129   HD21  ASN  20          1HD2      ASN  20   0.572  11.619  -2.423
  130   HD22  ASN  20          2HD2      ASN  20   0.404  10.244  -1.450
  131    H    PHE  21           H        PHE  21   1.511   5.738  -3.184
  132    HA   PHE  21           HA       PHE  21   3.929   4.301  -2.279
  133    HB2  PHE  21           2HB      PHE  21   1.111   3.911  -1.254
  134    HB3  PHE  21           1HB      PHE  21   2.528   2.986  -0.765
  135    HD1  PHE  21           1HD      PHE  21   1.166   6.445  -0.888
  136    HD2  PHE  21           2HD      PHE  21   3.946   3.781   0.982
  137    HE1  PHE  21           1HE      PHE  21   1.629   8.150   0.850
  138    HE2  PHE  21           2HE      PHE  21   4.408   5.468   2.714
  139    HZ   PHE  21           HZ       PHE  21   3.257   7.661   2.652
  140    H    TYR  22           H        TYR  22   3.804   1.940  -2.651
  141    HA   TYR  22           HA       TYR  22   2.015   1.223  -4.891
  142    HB2  TYR  22           2HB      TYR  22   3.826   0.212  -6.094
  143    HB3  TYR  22           1HB      TYR  22   4.356   1.831  -5.657
  144    HD1  TYR  22           1HD      TYR  22   4.702  -1.775  -4.882
  145    HD2  TYR  22           2HD      TYR  22   6.085   2.202  -4.087
  146    HE1  TYR  22           1HE      TYR  22   6.712  -2.676  -3.849
  147    HE2  TYR  22           2HE      TYR  22   8.087   1.283  -3.008
  148    HH   TYR  22           HH       TYR  22   8.399  -1.686  -1.908
  149    H    CYS  23           H        CYS  23   1.839  -1.109  -5.219
  150    HA   CYS  23           HA       CYS  23   1.914  -2.535  -2.662
  151    HB2  CYS  23           2HB      CYS  23   0.298  -2.900  -5.158
  152    HB3  CYS  23           1HB      CYS  23   0.382  -4.136  -3.906
  153    HA   PRO  24           HA       PRO  24   5.587  -4.590  -4.511
  154    HB2  PRO  24           2HB      PRO  24   5.093  -6.272  -2.086
  155    HB3  PRO  24           1HB      PRO  24   6.609  -5.579  -2.684
  156    HG2  PRO  24           2HG      PRO  24   5.385  -4.508  -0.628
  157    HG3  PRO  24           1HG      PRO  24   6.146  -3.496  -1.845
  158    HD2  PRO  24           2HD      PRO  24   3.248  -4.044  -1.396
  159    HD3  PRO  24           1HD      PRO  24   4.046  -2.566  -1.955
  160    H    MET  25           H        MET  25   5.930  -6.566  -5.553
  161    HA   MET  25           HA       MET  25   3.509  -8.057  -6.179
  162    HB2  MET  25           1HB      MET  25   4.904  -9.147  -7.895
  163    HB3  MET  25           2HB      MET  25   4.983  -7.391  -8.013
  164    HG2  MET  25           1HG      MET  25   7.103  -7.409  -6.731
  165    HG3  MET  25           2HG      MET  25   7.035  -9.169  -6.660
  166    HE1  MET  25           3HE      MET  25   7.628 -10.725  -8.300
  167    HE2  MET  25           1HE      MET  25   7.876 -10.468 -10.031
  168    HE3  MET  25           2HE      MET  25   6.259 -10.356  -9.346
  169    H    GLU  26           H        GLU  26   4.401  -8.421  -3.512
  170    HA   GLU  26           HA       GLU  26   5.554 -11.120  -3.515
  171    HB2  GLU  26           1HB      GLU  26   5.247  -9.048  -1.338
  172    HB3  GLU  26           2HB      GLU  26   5.790 -10.700  -1.036
  173    HG2  GLU  26           1HG      GLU  26   7.682 -10.401  -2.537
  174    HG3  GLU  26           2HG      GLU  26   7.110  -8.795  -2.987
  175    H    PHE  27           H        PHE  27   4.651 -12.314  -1.428
  176    HA   PHE  27           HA       PHE  27   2.056 -13.169  -2.072
  177    HB2  PHE  27           2HB      PHE  27   3.699 -14.546  -0.825
  178    HB3  PHE  27           1HB      PHE  27   3.502 -13.485   0.572
  179    HD1  PHE  27           1HD      PHE  27   1.473 -15.524  -1.829
  180    HD2  PHE  27           2HD      PHE  27   1.869 -14.012   2.170
  181    HE1  PHE  27           1HE      PHE  27  -0.519 -16.829  -1.139
  182    HE2  PHE  27           2HE      PHE  27  -0.127 -15.311   2.860
  183    HZ   PHE  27           HZ       PHE  27  -1.320 -16.723   1.205
  184    H    ILE  28           H        ILE  28   3.218 -11.026   0.506
  185    HA   ILE  28           HA       ILE  28   0.452 -10.030   0.844
  186    HB   ILE  28           HB       ILE  28   1.423  -9.447   3.229
  187   HG12  ILE  28          1HG1      ILE  28   2.948 -11.965   2.500
  188   HG13  ILE  28          2HG1      ILE  28   3.688 -10.368   2.587
  189   HG21  ILE  28          1HG2      ILE  28  -0.541 -10.818   2.860
  190   HG22  ILE  28          2HG2      ILE  28   0.509 -11.653   4.006
  191   HG23  ILE  28          3HG2      ILE  28   0.453 -12.167   2.319
  192   HD11  ILE  28          3HD1      ILE  28   3.222 -12.182   4.724
  193   HD12  ILE  28          1HD1      ILE  28   2.152 -10.804   4.975
  194   HD13  ILE  28          2HD1      ILE  28   3.891 -10.554   4.817
  195    HA   PRO  29           HA       PRO  29   3.177  -6.594  -0.740
  196    HB2  PRO  29           2HB      PRO  29   0.451  -5.618  -1.431
  197    HB3  PRO  29           1HB      PRO  29   1.916  -5.664  -2.427
  198    HG2  PRO  29           2HG      PRO  29  -0.082  -7.366  -2.822
  199    HG3  PRO  29           1HG      PRO  29   1.603  -7.887  -2.994
  200    HD2  PRO  29           2HD      PRO  29  -0.318  -8.428  -0.767
  201    HD3  PRO  29           1HD      PRO  29   0.958  -9.469  -1.437
  202    H    HIS  30           H        HIS  30   3.615  -4.698   0.321
  203    HA   HIS  30           HA       HIS  30   1.559  -3.683   2.186
  204    HB2  HIS  30           1HB      HIS  30   4.516  -3.935   2.762
  205    HB3  HIS  30           2HB      HIS  30   3.366  -3.061   3.764
  206    HD1  HIS  30           HD1      HIS  30   4.358  -6.535   2.758
  207    HD2  HIS  30           HD2      HIS  30   1.537  -4.678   5.203
  208    HE1  HIS  30           HE1      HIS  30   3.334  -8.361   4.184
  209    H    CYS  31           H        CYS  31   1.166  -1.564   2.093
  210    HA   CYS  31           HA       CYS  31   1.911   0.002  -0.052
  211    HB2  CYS  31           2HB      CYS  31   1.176   0.846   2.755
  212    HB3  CYS  31           1HB      CYS  31   1.294   1.963   1.403
  213    H    LYS  32           H        LYS  32   3.799   0.818  -0.678
  214    HA   LYS  32           HA       LYS  32   5.784   1.563   1.375
  215    HB2  LYS  32           1HB      LYS  32   6.439  -0.600   0.448
  216    HB3  LYS  32           2HB      LYS  32   6.304   0.032  -1.177
  217    HG2  LYS  32           1HG      LYS  32   8.658  -0.005  -0.441
  218    HG3  LYS  32           2HG      LYS  32   8.121   1.647  -0.712
  219    HD2  LYS  32           1HD      LYS  32   8.019   2.132   1.578
  220    HD3  LYS  32           2HD      LYS  32   7.900   0.430   2.031
  221    HE2  LYS  32           1HE      LYS  32  10.140   1.311   2.554
  222    HE3  LYS  32           2HE      LYS  32  10.236   0.082   1.292
  223    HZ1  LYS  32           3HZ      LYS  32   9.937   2.913   0.547
  224    HZ2  LYS  32           1HZ      LYS  32  10.651   1.643  -0.323
  225    HZ3  LYS  32           2HZ      LYS  32  11.466   2.326   1.001
  226    H    LYS  33           H        LYS  33   6.556   3.551   1.126
  227    HA   LYS  33           HA       LYS  33   5.615   5.236  -0.954
  228    HB2  LYS  33           1HB      LYS  33   6.217   5.963   1.360
  229    HB3  LYS  33           2HB      LYS  33   7.911   5.772   0.940
  230    HG2  LYS  33           1HG      LYS  33   7.938   7.765  -0.111
  231    HG3  LYS  33           2HG      LYS  33   6.565   7.301  -1.108
  232    HD2  LYS  33           1HD      LYS  33   6.144   9.343   0.285
  233    HD3  LYS  33           2HD      LYS  33   5.003   8.033   0.581
  234    HE2  LYS  33           1HE      LYS  33   5.671   7.787   2.720
  235    HE3  LYS  33           2HE      LYS  33   7.379   7.877   2.286
  236    HZ1  LYS  33           3HZ      LYS  33   5.623  10.262   2.344
  237    HZ2  LYS  33           1HZ      LYS  33   7.319  10.216   2.282
  238    HZ3  LYS  33           2HZ      LYS  33   6.507   9.744   3.700
  239    H    TYR  34           H        TYR  34   6.495   5.918  -2.771
  240    HA   TYR  34           HA       TYR  34   9.274   5.522  -3.435
  241    HB2  TYR  34           2HB      TYR  34   8.987   4.021  -5.206
  242    HB3  TYR  34           1HB      TYR  34   8.035   3.348  -3.902
  243    HD1  TYR  34           1HD      TYR  34   7.865   3.122  -7.071
  244    HD2  TYR  34           2HD      TYR  34   5.609   5.262  -4.101
  245    HE1  TYR  34           1HE      TYR  34   5.891   3.152  -8.564
  246    HE2  TYR  34           2HE      TYR  34   3.661   5.287  -5.587
  247    HH   TYR  34           HH       TYR  34   3.496   5.118  -8.404
  248    H    LYS  35           H        LYS  35   9.759   6.381  -5.599
  249    HA   LYS  35           HA       LYS  35   9.823   8.363  -6.807
  250    HB2  LYS  35           1HB      LYS  35   7.343   6.845  -7.509
  251    HB3  LYS  35           2HB      LYS  35   7.676   8.385  -8.287
  252    HG2  LYS  35           1HG      LYS  35   8.600   6.514  -9.606
  253    HG3  LYS  35           2HG      LYS  35   9.880   7.568  -9.014
  254    HD2  LYS  35           1HD      LYS  35  10.425   6.037  -7.237
  255    HD3  LYS  35           2HD      LYS  35   9.008   5.050  -7.585
  256    HE2  LYS  35           1HE      LYS  35   9.940   4.493  -9.800
  257    HE3  LYS  35           2HE      LYS  35  11.350   5.493  -9.458
  258    HZ1  LYS  35           3HZ      LYS  35  12.121   3.467  -8.810
  259    HZ2  LYS  35           1HZ      LYS  35  10.595   2.893  -8.341
  260    HZ3  LYS  35           2HZ      LYS  35  11.440   3.974  -7.341
  261    HA   PRO  36           HA       PRO  36   6.917  10.677  -3.924
  262    HB2  PRO  36           2HB      PRO  36   8.807  11.954  -2.442
  263    HB3  PRO  36           1HB      PRO  36   8.201  10.337  -2.035
  264    HG2  PRO  36           2HG      PRO  36  10.717  11.116  -3.429
  265    HG3  PRO  36           1HG      PRO  36  10.455   9.883  -2.184
  266    HD2  PRO  36           2HD      PRO  36  10.654   9.280  -4.841
  267    HD3  PRO  36           1HD      PRO  36   9.684   8.319  -3.706
  268    H    TYR  37           H        TYR  37   6.481  12.922  -3.986
  269    HA   TYR  37           HA       TYR  37   8.017  14.424  -6.022
  270    HB2  TYR  37           2HB      TYR  37   5.075  14.551  -5.333
  271    HB3  TYR  37           1HB      TYR  37   5.887  15.590  -6.505
  272    HD1  TYR  37           1HD      TYR  37   4.837  12.124  -5.750
  273    HD2  TYR  37           2HD      TYR  37   6.604  14.745  -8.661
  274    HE1  TYR  37           1HE      TYR  37   4.570  10.376  -7.487
  275    HE2  TYR  37           2HE      TYR  37   6.339  12.993 -10.398
  276    HH   TYR  37           HH       TYR  37   6.164  10.288 -10.267
  277    H    VAL  38           H        VAL  38   5.599  16.230  -4.646
  278    HA   VAL  38           HA       VAL  38   7.358  17.344  -2.554
  279    HB   VAL  38           HB       VAL  38   5.736  19.013  -4.481
  280   HG11  VAL  38          1HG1      VAL  38   7.210  20.818  -3.519
  281   HG12  VAL  38          2HG1      VAL  38   7.800  19.639  -2.349
  282   HG13  VAL  38          3HG1      VAL  38   6.098  20.106  -2.350
  283   HG21  VAL  38          3HG2      VAL  38   7.526  17.967  -5.736
  284   HG22  VAL  38          1HG2      VAL  38   8.684  18.296  -4.446
  285   HG23  VAL  38          2HG2      VAL  38   8.015  19.627  -5.389
  286    HA   PRO  39           HA       PRO  39   2.977  16.658  -1.102
  287    HB2  PRO  39           2HB      PRO  39   3.553  15.133   1.072
  288    HB3  PRO  39           1HB      PRO  39   3.368  14.450  -0.557
  289    HG2  PRO  39           2HG      PRO  39   5.850  15.075   0.962
  290    HG3  PRO  39           1HG      PRO  39   5.480  13.693  -0.082
  291    HD2  PRO  39           2HD      PRO  39   6.981  15.847  -0.888
  292    HD3  PRO  39           1HD      PRO  39   6.056  14.824  -2.008
  293    H    VAL  40           H        VAL  40   1.947  17.508   0.808
  294    HA   VAL  40           HA       VAL  40   3.320  19.781   1.914
  295    HB   VAL  40           HB       VAL  40   0.596  18.596   2.493
  296   HG11  VAL  40          1HG1      VAL  40   0.865  19.860   4.391
  297   HG12  VAL  40          2HG1      VAL  40   0.416  21.164   3.290
  298   HG13  VAL  40          3HG1      VAL  40   2.116  20.870   3.666
  299   HG21  VAL  40          3HG2      VAL  40   1.275  19.672   0.188
  300   HG22  VAL  40          1HG2      VAL  40   1.160  21.188   1.081
  301   HG23  VAL  40          2HG2      VAL  40  -0.247  20.134   0.948
  302    H    THR  41           H        THR  41   4.472  19.866   3.725
  303    HA   THR  41           HA       THR  41   3.871  18.107   5.967
  304    HB   THR  41           HB       THR  41   5.437  16.791   4.549
  305    HG1  THR  41           1HG      THR  41   6.790  16.317   6.248
  306   HG21  THR  41          3HG2      THR  41   7.659  17.560   4.123
  307   HG22  THR  41          1HG2      THR  41   7.452  18.952   5.186
  308   HG23  THR  41          2HG2      THR  41   6.586  18.878   3.651
  309    H    THR  42           H        THR  42   4.965  18.748   7.924
  310    HA   THR  42           HA       THR  42   5.376  21.615   8.042
  311    HB   THR  42           HB       THR  42   5.758  19.693  10.329
  312    HG1  THR  42           1HG      THR  42   3.281  20.855   9.763
  313   HG21  THR  42          3HG2      THR  42   5.237  21.554  11.674
  314   HG22  THR  42          1HG2      THR  42   4.494  22.428  10.334
  315   HG23  THR  42          2HG2      THR  42   6.245  22.235  10.398
  Start of MODEL    5
    1    HA   ASP   1           HA       ASP   1 -10.834   3.410   6.407
    2    HB2  ASP   1           1HB      ASP   1 -11.328   0.427   6.355
    3    HB3  ASP   1           2HB      ASP   1  -9.833   1.124   6.976
    4    H    CYS   2           H        CYS   2  -8.518   2.474   5.903
    5    HA   CYS   2           HA       CYS   2  -8.175   1.611   3.146
    6    HB2  CYS   2           2HB      CYS   2  -6.884   3.516   2.436
    7    HB3  CYS   2           1HB      CYS   2  -8.449   4.101   3.009
    8    H    ALA   3           H        ALA   3  -5.765   1.483   2.629
    9    HA   ALA   3           HA       ALA   3  -4.412   0.364   4.981
   10    HB1  ALA   3           3HB      ALA   3  -3.005   0.054   2.463
   11    HB2  ALA   3           1HB      ALA   3  -4.672  -0.514   2.346
   12    HB3  ALA   3           2HB      ALA   3  -3.596  -1.180   3.576
   13    H    LYS   4           H        LYS   4  -2.621   1.236   5.848
   14    HA   LYS   4           HA       LYS   4  -1.623   3.749   4.687
   15    HB2  LYS   4           1HB      LYS   4  -1.245   2.533   7.437
   16    HB3  LYS   4           2HB      LYS   4  -0.577   4.077   6.915
   17    HG2  LYS   4           1HG      LYS   4  -2.847   4.922   6.472
   18    HG3  LYS   4           2HG      LYS   4  -3.526   3.376   6.986
   19    HD2  LYS   4           1HD      LYS   4  -2.495   3.692   9.224
   20    HD3  LYS   4           2HD      LYS   4  -1.896   5.268   8.706
   21    HE2  LYS   4           1HE      LYS   4  -4.819   4.460   8.751
   22    HE3  LYS   4           2HE      LYS   4  -4.028   5.443   9.984
   23    HZ1  LYS   4           3HZ      LYS   4  -4.610   6.110   7.175
   24    HZ2  LYS   4           1HZ      LYS   4  -3.343   6.891   7.987
   25    HZ3  LYS   4           2HZ      LYS   4  -4.932   7.010   8.578
   26    H    GLU   5           H        GLU   5   0.879   3.899   5.750
   27    HA   GLU   5           HA       GLU   5   2.413   2.337   3.946
   28    HB2  GLU   5           1HB      GLU   5   3.105   4.569   4.755
   29    HB3  GLU   5           2HB      GLU   5   3.342   3.893   6.366
   30    HG2  GLU   5           1HG      GLU   5   5.044   2.348   5.490
   31    HG3  GLU   5           2HG      GLU   5   4.785   2.971   3.863
   32    H    GLY   6           H        GLY   6   3.236   0.375   4.124
   33    HA2  GLY   6           1HA      GLY   6   4.262  -1.458   5.154
   34    HA3  GLY   6           2HA      GLY   6   3.908  -0.763   6.713
   35    H    GLU   7           H        GLU   7   1.066  -0.439   5.213
   36    HA   GLU   7           HA       GLU   7   0.011  -2.878   6.428
   37    HB2  GLU   7           1HB      GLU   7  -1.369  -0.450   5.268
   38    HB3  GLU   7           2HB      GLU   7  -2.205  -1.825   5.988
   39    HG2  GLU   7           1HG      GLU   7  -0.936  -1.441   8.101
   40    HG3  GLU   7           2HG      GLU   7  -0.211  -0.008   7.373
   41    H    VAL   8           H        VAL   8  -1.325  -4.341   5.320
   42    HA   VAL   8           HA       VAL   8  -0.430  -5.074   2.778
   43    HB   VAL   8           HB       VAL   8  -2.947  -5.848   4.255
   44   HG11  VAL   8          1HG1      VAL   8  -2.788  -7.859   2.649
   45   HG12  VAL   8          2HG1      VAL   8  -1.745  -6.832   1.665
   46   HG13  VAL   8          3HG1      VAL   8  -3.410  -6.350   1.983
   47   HG21  VAL   8          3HG2      VAL   8  -0.871  -6.497   5.378
   48   HG22  VAL   8          1HG2      VAL   8  -0.250  -7.188   3.880
   49   HG23  VAL   8          2HG2      VAL   8  -1.636  -7.926   4.683
   50    H    CYS   9           H        CYS   9  -1.187  -4.753   0.690
   51    HA   CYS   9           HA       CYS   9  -3.547  -2.970   0.432
   52    HB2  CYS   9           2HB      CYS   9  -2.419  -1.777  -1.371
   53    HB3  CYS   9           1HB      CYS   9  -1.445  -1.696   0.099
   54    H    SER  10           H        SER  10  -4.504  -3.032  -1.765
   55    HA   SER  10           HA       SER  10  -5.494  -4.215  -3.468
   56    HB2  SER  10           1HB      SER  10  -3.058  -4.254  -4.211
   57    HB3  SER  10           2HB      SER  10  -2.982  -5.878  -3.539
   58    HG   SER  10           HG       SER  10  -4.137  -6.587  -5.154
   59    H    TRP  11           H        TRP  11  -4.853  -7.064  -4.039
   60    HA   TRP  11           HA       TRP  11  -5.835  -9.081  -3.538
   61    HB2  TRP  11           2HB      TRP  11  -4.134  -8.295  -1.370
   62    HB3  TRP  11           1HB      TRP  11  -5.505  -9.192  -0.737
   63    HD1  TRP  11           1HD      TRP  11  -2.206  -9.915  -1.705
   64    HE1  TRP  11           1HE      TRP  11  -1.938 -12.279  -2.704
   65    HE3  TRP  11           3HE      TRP  11  -7.079 -10.971  -2.754
   66    HZ2  TRP  11           2HZ      TRP  11  -3.584 -14.346  -3.810
   67    HZ3  TRP  11           3HZ      TRP  11  -7.709 -13.143  -3.783
   68    HH2  TRP  11           2HH      TRP  11  -5.966 -14.829  -4.311
   69    H    GLY  12           H        GLY  12  -7.371  -6.444  -3.076
   70    HA2  GLY  12           1HA      GLY  12  -9.832  -6.668  -2.912
   71    HA3  GLY  12           2HA      GLY  12  -9.564  -7.652  -1.481
   72    H    LYS  13           H        LYS  13  -7.279  -5.276  -1.434
   73    HA   LYS  13           HA       LYS  13  -8.986  -3.410   0.103
   74    HB2  LYS  13           1HB      LYS  13  -6.183  -4.329   0.782
   75    HB3  LYS  13           2HB      LYS  13  -7.098  -3.094   1.646
   76    HG2  LYS  13           1HG      LYS  13  -8.806  -4.705   2.262
   77    HG3  LYS  13           2HG      LYS  13  -8.046  -5.946   1.269
   78    HD2  LYS  13           1HD      LYS  13  -7.387  -6.381   3.537
   79    HD3  LYS  13           2HD      LYS  13  -5.981  -5.700   2.722
   80    HE2  LYS  13           1HE      LYS  13  -6.328  -3.549   3.729
   81    HE3  LYS  13           2HE      LYS  13  -7.923  -4.013   4.323
   82    HZ1  LYS  13           3HZ      LYS  13  -6.678  -4.348   6.179
   83    HZ2  LYS  13           1HZ      LYS  13  -5.268  -4.735   5.318
   84    HZ3  LYS  13           2HZ      LYS  13  -6.511  -5.883   5.472
   85    H    LYS  14           H        LYS  14  -8.363  -1.200   0.047
   86    HA   LYS  14           HA       LYS  14  -6.494  -0.524  -2.151
   87    HB2  LYS  14           1HB      LYS  14  -8.974   0.923  -1.185
   88    HB3  LYS  14           2HB      LYS  14  -7.875   1.526  -2.424
   89    HG2  LYS  14           1HG      LYS  14  -8.329  -0.483  -3.799
   90    HG3  LYS  14           2HG      LYS  14  -9.441  -1.069  -2.561
   91    HD2  LYS  14           1HD      LYS  14 -10.829   0.959  -2.851
   92    HD3  LYS  14           2HD      LYS  14  -9.729   1.524  -4.108
   93    HE2  LYS  14           1HE      LYS  14 -11.272  -1.086  -4.211
   94    HE3  LYS  14           2HE      LYS  14 -11.737   0.393  -5.054
   95    HZ1  LYS  14           3HZ      LYS  14 -10.380  -0.181  -6.686
   96    HZ2  LYS  14           1HZ      LYS  14  -9.875  -1.562  -5.840
   97    HZ3  LYS  14           2HZ      LYS  14  -9.057  -0.088  -5.626
   98    H    CYS  15           H        CYS  15  -4.804   0.685  -1.658
   99    HA   CYS  15           HA       CYS  15  -4.307   1.440   1.065
  100    HB2  CYS  15           2HB      CYS  15  -2.627   0.677  -0.747
  101    HB3  CYS  15           1HB      CYS  15  -2.700   2.342  -1.302
  102    H    CYS  16           H        CYS  16  -4.306   3.465   1.967
  103    HA   CYS  16           HA       CYS  16  -6.135   5.358   1.167
  104    HB2  CYS  16           2HB      CYS  16  -4.140   5.120   3.189
  105    HB3  CYS  16           1HB      CYS  16  -4.036   6.738   2.498
  106    H    ASP  17           H        ASP  17  -2.761   5.072   0.243
  107    HA   ASP  17           HA       ASP  17  -3.224   7.128  -1.819
  108    HB2  ASP  17           1HB      ASP  17  -0.920   6.981   0.119
  109    HB3  ASP  17           2HB      ASP  17  -0.827   7.875  -1.397
  110    H    LEU  18           H        LEU  18  -3.450   5.371  -3.295
  111    HA   LEU  18           HA       LEU  18  -1.394   3.417  -3.641
  112    HB2  LEU  18           1HB      LEU  18  -3.724   4.304  -5.338
  113    HB3  LEU  18           2HB      LEU  18  -2.608   3.044  -5.862
  114    HG   LEU  18           HG       LEU  18  -3.928   2.916  -3.152
  115   HD11  LEU  18          1HD1      LEU  18  -5.623   1.410  -4.256
  116   HD12  LEU  18          2HD1      LEU  18  -5.034   1.991  -5.813
  117   HD13  LEU  18          3HD1      LEU  18  -5.782   3.115  -4.675
  118   HD21  LEU  18          3HD2      LEU  18  -2.996   0.841  -3.053
  119   HD22  LEU  18          1HD2      LEU  18  -1.994   1.348  -4.409
  120   HD23  LEU  18          2HD2      LEU  18  -3.484   0.462  -4.700
  121    H    ASP  19           H        ASP  19  -1.770   6.676  -4.628
  122    HA   ASP  19           HA       ASP  19  -0.096   6.533  -6.964
  123    HB2  ASP  19           1HB      ASP  19  -1.814   8.275  -6.673
  124    HB3  ASP  19           2HB      ASP  19  -0.915   8.918  -5.300
  125    H    ASN  20           H        ASN  20   0.366   7.766  -3.645
  126    HA   ASN  20           HA       ASN  20   3.175   8.279  -4.115
  127    HB2  ASN  20           1HB      ASN  20   1.490   8.374  -1.608
  128    HB3  ASN  20           2HB      ASN  20   3.179   8.845  -1.676
  129   HD21  ASN  20          1HD2      ASN  20   0.475  11.547  -2.511
  130   HD22  ASN  20          2HD2      ASN  20   0.253  10.183  -1.540
  131    H    PHE  21           H        PHE  21   1.315   5.566  -3.232
  132    HA   PHE  21           HA       PHE  21   3.761   4.188  -2.317
  133    HB2  PHE  21           2HB      PHE  21   0.934   3.757  -1.344
  134    HB3  PHE  21           1HB      PHE  21   2.321   2.769  -0.902
  135    HD1  PHE  21           1HD      PHE  21   1.169   6.334  -0.918
  136    HD2  PHE  21           2HD      PHE  21   3.625   3.358   0.952
  137    HE1  PHE  21           1HE      PHE  21   1.742   7.939   0.872
  138    HE2  PHE  21           2HE      PHE  21   4.207   4.963   2.739
  139    HZ   PHE  21           HZ       PHE  21   3.269   7.258   2.700
  140    H    TYR  22           H        TYR  22   3.864   1.920  -2.828
  141    HA   TYR  22           HA       TYR  22   2.119   1.120  -5.084
  142    HB2  TYR  22           2HB      TYR  22   4.015   0.214  -6.244
  143    HB3  TYR  22           1HB      TYR  22   4.455   1.841  -5.767
  144    HD1  TYR  22           1HD      TYR  22   4.829  -1.749  -4.846
  145    HD2  TYR  22           2HD      TYR  22   6.211   2.272  -4.315
  146    HE1  TYR  22           1HE      TYR  22   6.832  -2.581  -3.751
  147    HE2  TYR  22           2HE      TYR  22   8.200   1.433  -3.175
  148    HH   TYR  22           HH       TYR  22   8.664  -2.067  -2.631
  149    H    CYS  23           H        CYS  23   2.070  -1.238  -5.421
  150    HA   CYS  23           HA       CYS  23   2.122  -2.630  -2.848
  151    HB2  CYS  23           2HB      CYS  23   0.605  -3.142  -5.378
  152    HB3  CYS  23           1HB      CYS  23   0.688  -4.307  -4.061
  153    HA   PRO  24           HA       PRO  24   5.912  -4.603  -4.515
  154    HB2  PRO  24           2HB      PRO  24   5.493  -6.251  -2.068
  155    HB3  PRO  24           1HB      PRO  24   6.944  -5.405  -2.622
  156    HG2  PRO  24           2HG      PRO  24   5.482  -4.480  -0.621
  157    HG3  PRO  24           1HG      PRO  24   6.290  -3.416  -1.751
  158    HD2  PRO  24           2HD      PRO  24   3.400  -4.080  -1.521
  159    HD3  PRO  24           1HD      PRO  24   4.189  -2.587  -2.065
  160    H    MET  25           H        MET  25   6.360  -6.603  -5.470
  161    HA   MET  25           HA       MET  25   4.013  -8.208  -6.095
  162    HB2  MET  25           1HB      MET  25   6.867  -8.492  -7.065
  163    HB3  MET  25           2HB      MET  25   5.455  -9.312  -7.729
  164    HG2  MET  25           1HG      MET  25   5.838  -6.305  -7.651
  165    HG3  MET  25           2HG      MET  25   6.085  -7.318  -9.070
  166    HE1  MET  25           3HE      MET  25   4.591  -5.670 -10.243
  167    HE2  MET  25           1HE      MET  25   4.003  -4.758  -8.847
  168    HE3  MET  25           2HE      MET  25   2.861  -5.454  -9.994
  169    H    GLU  26           H        GLU  26   3.959  -8.852  -3.716
  170    HA   GLU  26           HA       GLU  26   5.392 -11.396  -3.426
  171    HB2  GLU  26           1HB      GLU  26   5.170  -9.200  -1.362
  172    HB3  GLU  26           2HB      GLU  26   5.618 -10.861  -0.965
  173    HG2  GLU  26           1HG      GLU  26   7.563 -10.748  -2.398
  174    HG3  GLU  26           2HG      GLU  26   7.071  -9.174  -3.021
  175    H    PHE  27           H        PHE  27   4.407 -12.536  -1.403
  176    HA   PHE  27           HA       PHE  27   1.736 -13.177  -1.998
  177    HB2  PHE  27           2HB      PHE  27   3.291 -14.708  -0.820
  178    HB3  PHE  27           1HB      PHE  27   3.215 -13.663   0.601
  179    HD1  PHE  27           1HD      PHE  27   1.066 -15.636  -1.736
  180    HD2  PHE  27           2HD      PHE  27   1.474 -13.915   2.178
  181    HE1  PHE  27           1HE      PHE  27  -1.018 -16.773  -1.020
  182    HE2  PHE  27           2HE      PHE  27  -0.611 -15.051   2.894
  183    HZ   PHE  27           HZ       PHE  27  -1.856 -16.480   1.295
  184    H    ILE  28           H        ILE  28   3.145 -11.036   0.414
  185    HA   ILE  28           HA       ILE  28   0.457  -9.937   0.959
  186    HB   ILE  28           HB       ILE  28   1.698  -9.400   3.277
  187   HG12  ILE  28          1HG1      ILE  28   2.950 -11.433   3.991
  188   HG13  ILE  28          2HG1      ILE  28   2.878 -12.047   2.344
  189   HG21  ILE  28          1HG2      ILE  28   0.150 -11.828   2.388
  190   HG22  ILE  28          2HG2      ILE  28  -0.422 -10.420   3.284
  191   HG23  ILE  28          3HG2      ILE  28   0.614 -11.608   4.075
  192   HD11  ILE  28          3HD1      ILE  28   5.036 -10.916   2.813
  193   HD12  ILE  28          1HD1      ILE  28   4.164  -9.431   3.178
  194   HD13  ILE  28          2HD1      ILE  28   4.138 -10.088   1.545
  195    HA   PRO  29           HA       PRO  29   3.347  -6.668  -0.737
  196    HB2  PRO  29           2HB      PRO  29   0.685  -5.665  -1.592
  197    HB3  PRO  29           1HB      PRO  29   2.185  -5.793  -2.515
  198    HG2  PRO  29           2HG      PRO  29   0.175  -7.465  -2.927
  199    HG3  PRO  29           1HG      PRO  29   1.856  -8.039  -2.977
  200    HD2  PRO  29           2HD      PRO  29  -0.197  -8.377  -0.816
  201    HD3  PRO  29           1HD      PRO  29   1.045  -9.512  -1.379
  202    H    HIS  30           H        HIS  30   3.788  -4.729   0.250
  203    HA   HIS  30           HA       HIS  30   1.737  -3.678   2.119
  204    HB2  HIS  30           1HB      HIS  30   4.740  -3.740   2.472
  205    HB3  HIS  30           2HB      HIS  30   3.646  -2.820   3.477
  206    HD1  HIS  30           HD1      HIS  30   5.210  -6.051   3.334
  207    HD2  HIS  30           HD2      HIS  30   1.512  -4.629   4.623
  208    HE1  HIS  30           HE1      HIS  30   4.249  -7.828   4.864
  209    H    CYS  31           H        CYS  31   1.515  -1.432   2.271
  210    HA   CYS  31           HA       CYS  31   2.055  -0.020  -0.156
  211    HB2  CYS  31           2HB      CYS  31   0.408   0.363   2.082
  212    HB3  CYS  31           1HB      CYS  31   1.468   1.749   2.028
  213    H    LYS  32           H        LYS  32   4.091   0.473  -0.687
  214    HA   LYS  32           HA       LYS  32   5.857   1.655   1.389
  215    HB2  LYS  32           1HB      LYS  32   6.593   0.371  -1.231
  216    HB3  LYS  32           2HB      LYS  32   7.727   0.977  -0.037
  217    HG2  LYS  32           1HG      LYS  32   5.733  -1.253   0.365
  218    HG3  LYS  32           2HG      LYS  32   7.456  -1.464   0.119
  219    HD2  LYS  32           1HD      LYS  32   7.662   0.177   2.178
  220    HD3  LYS  32           2HD      LYS  32   6.015  -0.359   2.516
  221    HE2  LYS  32           1HE      LYS  32   7.522  -1.819   3.712
  222    HE3  LYS  32           2HE      LYS  32   6.841  -2.735   2.369
  223    HZ1  LYS  32           3HZ      LYS  32   9.394  -2.727   2.802
  224    HZ2  LYS  32           1HZ      LYS  32   9.338  -1.258   1.956
  225    HZ3  LYS  32           2HZ      LYS  32   8.791  -2.685   1.214
  226    H    LYS  33           H        LYS  33   6.377   3.735   1.204
  227    HA   LYS  33           HA       LYS  33   5.297   5.333  -0.890
  228    HB2  LYS  33           1HB      LYS  33   6.042   5.873   1.640
  229    HB3  LYS  33           2HB      LYS  33   7.493   6.406   0.808
  230    HG2  LYS  33           1HG      LYS  33   6.229   7.949  -0.565
  231    HG3  LYS  33           2HG      LYS  33   4.700   7.325   0.058
  232    HD2  LYS  33           1HD      LYS  33   5.493   8.025   2.376
  233    HD3  LYS  33           2HD      LYS  33   6.803   8.887   1.568
  234    HE2  LYS  33           1HE      LYS  33   5.202  10.218   0.301
  235    HE3  LYS  33           2HE      LYS  33   3.855   9.305   0.989
  236    HZ1  LYS  33           3HZ      LYS  33   5.661  10.423   2.943
  237    HZ2  LYS  33           1HZ      LYS  33   3.966  10.442   2.897
  238    HZ3  LYS  33           2HZ      LYS  33   4.851  11.591   2.011
  239    H    TYR  34           H        TYR  34   6.141   5.934  -2.759
  240    HA   TYR  34           HA       TYR  34   9.015   5.950  -3.215
  241    HB2  TYR  34           2HB      TYR  34   9.013   4.419  -4.976
  242    HB3  TYR  34           1HB      TYR  34   8.006   3.646  -3.768
  243    HD1  TYR  34           1HD      TYR  34   8.195   3.900  -7.092
  244    HD2  TYR  34           2HD      TYR  34   5.398   4.941  -3.997
  245    HE1  TYR  34           1HE      TYR  34   6.341   3.819  -8.723
  246    HE2  TYR  34           2HE      TYR  34   3.562   4.845  -5.623
  247    HH   TYR  34           HH       TYR  34   3.040   4.729  -7.786
  248    H    LYS  35           H        LYS  35   9.561   6.985  -5.232
  249    HA   LYS  35           HA       LYS  35   9.436   9.018  -6.355
  250    HB2  LYS  35           1HB      LYS  35   7.474   7.070  -7.473
  251    HB3  LYS  35           2HB      LYS  35   7.522   8.697  -8.133
  252    HG2  LYS  35           1HG      LYS  35   9.034   7.185  -9.372
  253    HG3  LYS  35           2HG      LYS  35   9.923   8.482  -8.578
  254    HD2  LYS  35           1HD      LYS  35  10.578   7.014  -6.770
  255    HD3  LYS  35           2HD      LYS  35   9.543   5.728  -7.381
  256    HE2  LYS  35           1HE      LYS  35  10.890   5.573  -9.420
  257    HE3  LYS  35           2HE      LYS  35  11.899   6.912  -8.874
  258    HZ1  LYS  35           3HZ      LYS  35  11.561   4.359  -7.401
  259    HZ2  LYS  35           1HZ      LYS  35  12.626   5.620  -7.014
  260    HZ3  LYS  35           2HZ      LYS  35  12.870   4.707  -8.426
  261    HA   PRO  36           HA       PRO  36   5.967  10.599  -3.548
  262    HB2  PRO  36           2HB      PRO  36   8.078  12.697  -3.318
  263    HB3  PRO  36           1HB      PRO  36   7.034  12.005  -2.064
  264    HG2  PRO  36           2HG      PRO  36   9.594  11.322  -2.263
  265    HG3  PRO  36           1HG      PRO  36   8.353  10.145  -1.800
  266    HD2  PRO  36           2HD      PRO  36   9.816  10.418  -4.387
  267    HD3  PRO  36           1HD      PRO  36   9.159   8.965  -3.601
  268    H    TYR  37           H        TYR  37   8.109  12.859  -5.240
  269    HA   TYR  37           HA       TYR  37   5.906  13.669  -6.999
  270    HB2  TYR  37           2HB      TYR  37   7.486  15.600  -5.283
  271    HB3  TYR  37           1HB      TYR  37   6.332  16.056  -6.539
  272    HD1  TYR  37           1HD      TYR  37   6.736  14.609  -3.185
  273    HD2  TYR  37           2HD      TYR  37   3.927  15.677  -6.254
  274    HE1  TYR  37           1HE      TYR  37   4.876  14.362  -1.566
  275    HE2  TYR  37           2HE      TYR  37   2.065  15.436  -4.633
  276    HH   TYR  37           HH       TYR  37   1.643  14.193  -2.487
  277    H    VAL  38           H        VAL  38   6.625  14.978  -8.829
  278    HA   VAL  38           HA       VAL  38   9.507  14.686  -9.423
  279    HB   VAL  38           HB       VAL  38   8.928  14.109 -11.739
  280   HG11  VAL  38          1HG1      VAL  38   9.280  12.348 -10.003
  281   HG12  VAL  38          2HG1      VAL  38   8.182  11.830 -11.284
  282   HG13  VAL  38          3HG1      VAL  38   7.539  12.324  -9.717
  283   HG21  VAL  38          3HG2      VAL  38   6.308  14.937 -10.830
  284   HG22  VAL  38          1HG2      VAL  38   6.236  13.295 -11.473
  285   HG23  VAL  38          2HG2      VAL  38   6.856  14.608 -12.474
  286    HA   PRO  39           HA       PRO  39   7.911  19.007 -10.223
  287    HB2  PRO  39           2HB      PRO  39   9.660  20.324  -8.599
  288    HB3  PRO  39           1HB      PRO  39   8.116  19.668  -8.024
  289    HG2  PRO  39           2HG      PRO  39  10.863  18.568  -7.737
  290    HG3  PRO  39           1HG      PRO  39   9.522  18.579  -6.580
  291    HD2  PRO  39           2HD      PRO  39  10.214  16.388  -8.083
  292    HD3  PRO  39           1HD      PRO  39   8.576  16.668  -7.455
  293    H    VAL  40           H        VAL  40   8.986  20.699 -11.408
  294    HA   VAL  40           HA       VAL  40  11.443  19.762 -12.734
  295    HB   VAL  40           HB       VAL  40   9.436  21.880 -13.543
  296   HG11  VAL  40          1HG1      VAL  40  12.082  21.012 -14.625
  297   HG12  VAL  40          2HG1      VAL  40  11.345  22.613 -14.617
  298   HG13  VAL  40          3HG1      VAL  40  10.807  21.401 -15.780
  299   HG21  VAL  40          3HG2      VAL  40   9.255  19.104 -13.677
  300   HG22  VAL  40          1HG2      VAL  40   9.840  19.561 -15.278
  301   HG23  VAL  40          2HG2      VAL  40   8.338  20.245 -14.658
  302    H    THR  41           H        THR  41  13.323  20.675 -12.250
  303    HA   THR  41           HA       THR  41  13.507  22.890 -10.444
  304    HB   THR  41           HB       THR  41  15.183  21.060 -10.525
  305    HG1  THR  41           1HG      THR  41  15.612  23.683 -10.437
  306   HG21  THR  41          3HG2      THR  41  15.044  21.233 -13.197
  307   HG22  THR  41          1HG2      THR  41  16.473  20.609 -12.373
  308   HG23  THR  41          2HG2      THR  41  16.440  22.280 -12.934
  309    H    THR  42           H        THR  42  14.222  24.982 -10.835
  310    HA   THR  42           HA       THR  42  13.709  25.956 -13.541
  311    HB   THR  42           HB       THR  42  12.637  27.277 -11.909
  312    HG1  THR  42           1HG      THR  42  14.676  28.997 -11.849
  313   HG21  THR  42          3HG2      THR  42  14.220  28.272 -10.034
  314   HG22  THR  42          1HG2      THR  42  15.169  26.828 -10.380
  315   HG23  THR  42          2HG2      THR  42  13.497  26.676  -9.843
  Start of MODEL    6
    1    HA   ASP   1           HA       ASP   1 -10.802   2.009   6.028
    2    HB2  ASP   1           1HB      ASP   1 -13.065   1.684   4.043
    3    HB3  ASP   1           2HB      ASP   1 -12.113   0.325   4.638
    4    H    CYS   2           H        CYS   2  -8.746   2.344   5.227
    5    HA   CYS   2           HA       CYS   2  -8.239   1.315   2.554
    6    HB2  CYS   2           2HB      CYS   2  -6.878   3.269   1.898
    7    HB3  CYS   2           1HB      CYS   2  -8.575   3.692   2.094
    8    H    ALA   3           H        ALA   3  -5.913   0.988   2.152
    9    HA   ALA   3           HA       ALA   3  -4.602   0.027   4.533
   10    HB1  ALA   3           3HB      ALA   3  -3.902  -1.417   2.960
   11    HB2  ALA   3           1HB      ALA   3  -2.766  -0.161   2.468
   12    HB3  ALA   3           2HB      ALA   3  -4.322  -0.314   1.651
   13    H    LYS   4           H        LYS   4  -2.627   0.732   5.378
   14    HA   LYS   4           HA       LYS   4  -1.846   3.485   4.612
   15    HB2  LYS   4           1HB      LYS   4  -1.788   2.110   7.304
   16    HB3  LYS   4           2HB      LYS   4  -1.037   3.671   6.969
   17    HG2  LYS   4           1HG      LYS   4  -3.159   4.656   6.383
   18    HG3  LYS   4           2HG      LYS   4  -3.960   3.086   6.440
   19    HD2  LYS   4           1HD      LYS   4  -4.496   4.206   8.496
   20    HD3  LYS   4           2HD      LYS   4  -3.318   2.957   8.883
   21    HE2  LYS   4           1HE      LYS   4  -1.528   4.571   9.000
   22    HE3  LYS   4           2HE      LYS   4  -2.564   5.844   8.352
   23    HZ1  LYS   4           3HZ      LYS   4  -2.151   5.441  10.948
   24    HZ2  LYS   4           1HZ      LYS   4  -3.542   4.497  10.725
   25    HZ3  LYS   4           2HZ      LYS   4  -3.563   6.148  10.321
   26    H    GLU   5           H        GLU   5   0.492   3.964   5.332
   27    HA   GLU   5           HA       GLU   5   2.280   2.480   3.850
   28    HB2  GLU   5           1HB      GLU   5   2.810   4.704   4.706
   29    HB3  GLU   5           2HB      GLU   5   2.845   4.082   6.356
   30    HG2  GLU   5           1HG      GLU   5   4.752   2.691   5.873
   31    HG3  GLU   5           2HG      GLU   5   4.646   3.052   4.151
   32    H    GLY   6           H        GLY   6   3.176   0.553   4.036
   33    HA2  GLY   6           1HA      GLY   6   4.148  -1.308   5.006
   34    HA3  GLY   6           2HA      GLY   6   3.888  -0.594   6.586
   35    H    GLU   7           H        GLU   7   1.020  -0.424   4.901
   36    HA   GLU   7           HA       GLU   7  -0.029  -2.709   6.408
   37    HB2  GLU   7           1HB      GLU   7  -1.113  -0.407   6.506
   38    HB3  GLU   7           2HB      GLU   7  -1.629  -0.682   4.841
   39    HG2  GLU   7           1HG      GLU   7  -2.896  -2.632   5.470
   40    HG3  GLU   7           2HG      GLU   7  -2.245  -2.589   7.109
   41    H    VAL   8           H        VAL   8  -1.236  -4.367   5.461
   42    HA   VAL   8           HA       VAL   8  -0.285  -5.345   3.039
   43    HB   VAL   8           HB       VAL   8  -2.880  -6.024   4.438
   44   HG11  VAL   8          1HG1      VAL   8  -2.642  -8.185   3.226
   45   HG12  VAL   8          2HG1      VAL   8  -1.260  -7.524   2.355
   46   HG13  VAL   8          3HG1      VAL   8  -2.864  -6.831   2.121
   47   HG21  VAL   8          3HG2      VAL   8  -0.622  -7.884   4.620
   48   HG22  VAL   8          1HG2      VAL   8  -1.660  -7.252   5.898
   49   HG23  VAL   8          2HG2      VAL   8  -0.272  -6.314   5.347
   50    H    CYS   9           H        CYS   9  -0.960  -5.256   0.925
   51    HA   CYS   9           HA       CYS   9  -3.418  -3.706   0.364
   52    HB2  CYS   9           2HB      CYS   9  -2.209  -2.600  -1.526
   53    HB3  CYS   9           1HB      CYS   9  -1.604  -2.136   0.063
   54    H    SER  10           H        SER  10  -4.343  -4.112  -1.729
   55    HA   SER  10           HA       SER  10  -4.952  -5.406  -3.537
   56    HB2  SER  10           1HB      SER  10  -2.358  -5.472  -3.813
   57    HB3  SER  10           2HB      SER  10  -2.522  -7.126  -3.248
   58    HG   SER  10           HG       SER  10  -3.196  -5.992  -5.640
   59    H    TRP  11           H        TRP  11  -3.490  -7.155  -0.837
   60    HA   TRP  11           HA       TRP  11  -4.693  -9.645  -1.206
   61    HB2  TRP  11           2HB      TRP  11  -2.957  -8.837   0.573
   62    HB3  TRP  11           1HB      TRP  11  -4.387  -8.471   1.536
   63    HD1  TRP  11           1HD      TRP  11  -2.428 -11.365   0.051
   64    HE1  TRP  11           1HE      TRP  11  -3.281 -13.569   1.075
   65    HE3  TRP  11           3HE      TRP  11  -6.483  -9.627   2.609
   66    HZ2  TRP  11           2HZ      TRP  11  -5.411 -14.477   2.764
   67    HZ3  TRP  11           3HZ      TRP  11  -7.909 -11.178   3.918
   68    HH2  TRP  11           2HH      TRP  11  -7.377 -13.598   3.998
   69    H    GLY  12           H        GLY  12  -6.192  -6.707  -0.818
   70    HA2  GLY  12           1HA      GLY  12  -8.762  -7.277  -1.026
   71    HA3  GLY  12           2HA      GLY  12  -8.507  -7.738   0.654
   72    H    LYS  13           H        LYS  13  -6.370  -5.312   0.021
   73    HA   LYS  13           HA       LYS  13  -8.275  -3.169   0.738
   74    HB2  LYS  13           1HB      LYS  13  -5.591  -3.727   2.026
   75    HB3  LYS  13           2HB      LYS  13  -6.553  -2.273   2.299
   76    HG2  LYS  13           1HG      LYS  13  -8.421  -3.668   3.125
   77    HG3  LYS  13           2HG      LYS  13  -7.446  -5.116   2.870
   78    HD2  LYS  13           1HD      LYS  13  -5.772  -4.291   4.471
   79    HD3  LYS  13           2HD      LYS  13  -6.714  -2.820   4.712
   80    HE2  LYS  13           1HE      LYS  13  -7.181  -4.395   6.526
   81    HE3  LYS  13           2HE      LYS  13  -8.618  -4.208   5.522
   82    HZ1  LYS  13           3HZ      LYS  13  -7.629  -6.564   6.190
   83    HZ2  LYS  13           1HZ      LYS  13  -6.758  -6.310   4.756
   84    HZ3  LYS  13           2HZ      LYS  13  -8.456  -6.297   4.730
   85    H    LYS  14           H        LYS  14  -7.746  -1.105   0.019
   86    HA   LYS  14           HA       LYS  14  -5.672  -1.009  -2.095
   87    HB2  LYS  14           1HB      LYS  14  -8.158   0.670  -1.703
   88    HB3  LYS  14           2HB      LYS  14  -6.987   0.880  -3.005
   89    HG2  LYS  14           1HG      LYS  14  -7.409  -1.503  -3.683
   90    HG3  LYS  14           2HG      LYS  14  -8.701  -1.568  -2.488
   91    HD2  LYS  14           1HD      LYS  14  -8.618   0.506  -4.696
   92    HD3  LYS  14           2HD      LYS  14  -9.430  -1.048  -4.877
   93    HE2  LYS  14           1HE      LYS  14 -10.792  -0.496  -2.831
   94    HE3  LYS  14           2HE      LYS  14 -10.076   1.114  -2.850
   95    HZ1  LYS  14           3HZ      LYS  14 -12.004  -0.078  -4.682
   96    HZ2  LYS  14           1HZ      LYS  14 -10.862   0.986  -5.345
   97    HZ3  LYS  14           2HZ      LYS  14 -11.893   1.515  -4.102
   98    H    CYS  15           H        CYS  15  -4.054   0.361  -1.952
   99    HA   CYS  15           HA       CYS  15  -3.345   1.552   0.477
  100    HB2  CYS  15           2HB      CYS  15  -2.042   0.975  -1.793
  101    HB3  CYS  15           1HB      CYS  15  -2.299   2.694  -2.052
  102    H    CYS  16           H        CYS  16  -4.025   3.361   1.430
  103    HA   CYS  16           HA       CYS  16  -6.086   4.959   0.522
  104    HB2  CYS  16           2HB      CYS  16  -4.584   4.778   2.826
  105    HB3  CYS  16           1HB      CYS  16  -4.194   6.388   2.238
  106    H    ASP  17           H        ASP  17  -2.605   5.475   0.215
  107    HA   ASP  17           HA       ASP  17  -2.901   8.030  -1.077
  108    HB2  ASP  17           1HB      ASP  17  -0.564   6.149  -0.742
  109    HB3  ASP  17           2HB      ASP  17  -0.438   7.708  -1.554
  110    H    LEU  18           H        LEU  18  -2.255   4.716  -2.155
  111    HA   LEU  18           HA       LEU  18  -2.048   3.815  -4.275
  112    HB2  LEU  18           1HB      LEU  18  -4.613   5.207  -3.992
  113    HB3  LEU  18           2HB      LEU  18  -4.140   4.950  -5.670
  114    HG   LEU  18           HG       LEU  18  -4.011   2.747  -3.611
  115   HD11  LEU  18          1HD1      LEU  18  -6.321   3.751  -5.249
  116   HD12  LEU  18          2HD1      LEU  18  -6.305   3.201  -3.573
  117   HD13  LEU  18          3HD1      LEU  18  -6.188   2.030  -4.886
  118   HD21  LEU  18          3HD2      LEU  18  -4.582   2.122  -6.418
  119   HD22  LEU  18          1HD2      LEU  18  -3.352   1.448  -5.351
  120   HD23  LEU  18          2HD2      LEU  18  -3.043   2.958  -6.207
  121    H    ASP  19           H        ASP  19  -0.766   6.510  -3.768
  122    HA   ASP  19           HA       ASP  19  -0.280   7.154  -6.609
  123    HB2  ASP  19           1HB      ASP  19  -1.807   8.841  -5.688
  124    HB3  ASP  19           2HB      ASP  19  -0.673   9.155  -4.378
  125    H    ASN  20           H        ASN  20   0.869   8.301  -3.434
  126    HA   ASN  20           HA       ASN  20   3.614   8.299  -4.361
  127    HB2  ASN  20           1HB      ASN  20   2.421   8.868  -1.641
  128    HB3  ASN  20           2HB      ASN  20   4.106   9.100  -2.068
  129   HD21  ASN  20          1HD2      ASN  20   1.616  12.060  -2.721
  130   HD22  ASN  20          2HD2      ASN  20   1.426  10.834  -1.570
  131    H    PHE  21           H        PHE  21   1.543   5.985  -3.174
  132    HA   PHE  21           HA       PHE  21   3.800   4.362  -2.173
  133    HB2  PHE  21           2HB      PHE  21   0.923   4.428  -1.251
  134    HB3  PHE  21           1HB      PHE  21   2.066   3.169  -0.791
  135    HD1  PHE  21           1HD      PHE  21   1.729   6.903  -0.871
  136    HD2  PHE  21           2HD      PHE  21   3.431   3.480   1.098
  137    HE1  PHE  21           1HE      PHE  21   2.604   8.368   0.922
  138    HE2  PHE  21           2HE      PHE  21   4.310   4.957   2.886
  139    HZ   PHE  21           HZ       PHE  21   3.898   7.394   2.800
  140    H    TYR  22           H        TYR  22   3.831   2.179  -2.776
  141    HA   TYR  22           HA       TYR  22   1.965   1.450  -4.956
  142    HB2  TYR  22           2HB      TYR  22   3.747   0.416  -6.140
  143    HB3  TYR  22           1HB      TYR  22   4.362   1.987  -5.646
  144    HD1  TYR  22           1HD      TYR  22   4.551  -1.650  -5.059
  145    HD2  TYR  22           2HD      TYR  22   6.012   2.209  -3.909
  146    HE1  TYR  22           1HE      TYR  22   6.486  -2.682  -4.026
  147    HE2  TYR  22           2HE      TYR  22   7.931   1.175  -2.849
  148    HH   TYR  22           HH       TYR  22   8.754  -0.828  -2.056
  149    H    CYS  23           H        CYS  23   1.658  -0.853  -5.241
  150    HA   CYS  23           HA       CYS  23   1.751  -2.246  -2.653
  151    HB2  CYS  23           2HB      CYS  23  -0.467  -1.902  -3.772
  152    HB3  CYS  23           1HB      CYS  23   0.089  -2.967  -5.068
  153    HA   PRO  24           HA       PRO  24   5.175  -4.503  -4.717
  154    HB2  PRO  24           2HB      PRO  24   4.861  -6.210  -2.299
  155    HB3  PRO  24           1HB      PRO  24   6.321  -5.470  -2.976
  156    HG2  PRO  24           2HG      PRO  24   5.164  -4.509  -0.796
  157    HG3  PRO  24           1HG      PRO  24   5.932  -3.457  -1.972
  158    HD2  PRO  24           2HD      PRO  24   3.038  -3.912  -1.450
  159    HD3  PRO  24           1HD      PRO  24   3.879  -2.461  -2.016
  160    H    MET  25           H        MET  25   5.564  -6.796  -5.328
  161    HA   MET  25           HA       MET  25   3.008  -8.228  -5.767
  162    HB2  MET  25           1HB      MET  25   4.166  -7.371  -7.815
  163    HB3  MET  25           2HB      MET  25   5.538  -8.406  -7.415
  164    HG2  MET  25           1HG      MET  25   4.108 -10.392  -7.532
  165    HG3  MET  25           2HG      MET  25   2.700  -9.381  -7.859
  166    HE1  MET  25           3HE      MET  25   3.318 -11.714  -9.381
  167    HE2  MET  25           1HE      MET  25   3.586 -11.400 -11.101
  168    HE3  MET  25           2HE      MET  25   2.172 -10.732 -10.288
  169    H    GLU  26           H        GLU  26   3.131  -9.401  -3.807
  170    HA   GLU  26           HA       GLU  26   4.793 -11.764  -3.962
  171    HB2  GLU  26           1HB      GLU  26   5.883  -9.671  -2.587
  172    HB3  GLU  26           2HB      GLU  26   4.994 -10.499  -1.306
  173    HG2  GLU  26           1HG      GLU  26   6.088 -12.637  -1.973
  174    HG3  GLU  26           2HG      GLU  26   7.026 -11.758  -3.176
  175    H    PHE  27           H        PHE  27   4.404 -12.760  -1.457
  176    HA   PHE  27           HA       PHE  27   1.756 -13.702  -1.548
  177    HB2  PHE  27           2HB      PHE  27   3.652 -14.917  -0.488
  178    HB3  PHE  27           1HB      PHE  27   3.645 -13.734   0.819
  179    HD1  PHE  27           1HD      PHE  27   1.380 -16.085  -1.002
  180    HD2  PHE  27           2HD      PHE  27   2.263 -14.091   2.697
  181    HE1  PHE  27           1HE      PHE  27  -0.426 -17.363   0.115
  182    HE2  PHE  27           2HE      PHE  27   0.453 -15.365   3.815
  183    HZ   PHE  27           HZ       PHE  27  -0.892 -17.000   2.523
  184    H    ILE  28           H        ILE  28   3.294 -11.315   0.606
  185    HA   ILE  28           HA       ILE  28   0.619 -10.226   1.191
  186    HB   ILE  28           HB       ILE  28   1.534  -9.784   3.540
  187   HG12  ILE  28          1HG1      ILE  28   3.387 -12.060   2.783
  188   HG13  ILE  28          2HG1      ILE  28   3.909 -10.383   2.866
  189   HG21  ILE  28          1HG2      ILE  28   0.581 -12.333   2.350
  190   HG22  ILE  28          2HG2      ILE  28  -0.127 -11.355   3.636
  191   HG23  ILE  28          3HG2      ILE  28   1.220 -12.436   3.990
  192   HD11  ILE  28          3HD1      ILE  28   2.798 -12.058   5.130
  193   HD12  ILE  28          1HD1      ILE  28   3.066 -10.318   5.243
  194   HD13  ILE  28          2HD1      ILE  28   4.430 -11.407   4.986
  195    HA   PRO  29           HA       PRO  29   3.587  -6.957  -0.384
  196    HB2  PRO  29           2HB      PRO  29   0.938  -5.990  -1.329
  197    HB3  PRO  29           1HB      PRO  29   2.484  -6.040  -2.186
  198    HG2  PRO  29           2HG      PRO  29   0.560  -7.757  -2.751
  199    HG3  PRO  29           1HG      PRO  29   2.252  -8.299  -2.693
  200    HD2  PRO  29           2HD      PRO  29   0.071  -8.701  -0.659
  201    HD3  PRO  29           1HD      PRO  29   1.359  -9.819  -1.161
  202    H    HIS  30           H        HIS  30   3.835  -4.846   0.413
  203    HA   HIS  30           HA       HIS  30   1.703  -3.884   2.223
  204    HB2  HIS  30           1HB      HIS  30   4.667  -3.862   2.832
  205    HB3  HIS  30           2HB      HIS  30   3.409  -3.106   3.801
  206    HD1  HIS  30           HD1      HIS  30   4.873  -6.438   2.960
  207    HD2  HIS  30           HD2      HIS  30   1.689  -4.921   5.182
  208    HE1  HIS  30           HE1      HIS  30   4.033  -8.346   4.401
  209    H    CYS  31           H        CYS  31   1.321  -1.717   2.206
  210    HA   CYS  31           HA       CYS  31   2.004  -0.206  -0.058
  211    HB2  CYS  31           2HB      CYS  31   0.885   0.461   2.635
  212    HB3  CYS  31           1HB      CYS  31   1.335   1.766   1.550
  213    H    LYS  32           H        LYS  32   3.821   0.817  -0.620
  214    HA   LYS  32           HA       LYS  32   5.653   1.733   1.499
  215    HB2  LYS  32           1HB      LYS  32   6.463  -0.433   0.648
  216    HB3  LYS  32           2HB      LYS  32   6.449   0.204  -0.970
  217    HG2  LYS  32           1HG      LYS  32   8.719   0.323  -0.158
  218    HG3  LYS  32           2HG      LYS  32   8.103   1.965  -0.236
  219    HD2  LYS  32           1HD      LYS  32   7.820   2.103   2.112
  220    HD3  LYS  32           2HD      LYS  32   7.919   0.353   2.313
  221    HE2  LYS  32           1HE      LYS  32  10.014   1.363   3.041
  222    HE3  LYS  32           2HE      LYS  32  10.300   0.451   1.562
  223    HZ1  LYS  32           3HZ      LYS  32   9.566   3.264   1.286
  224    HZ2  LYS  32           1HZ      LYS  32  10.623   2.323   0.351
  225    HZ3  LYS  32           2HZ      LYS  32  11.128   2.921   1.861
  226    H    LYS  33           H        LYS  33   6.540   3.692   1.157
  227    HA   LYS  33           HA       LYS  33   5.574   5.308  -0.984
  228    HB2  LYS  33           1HB      LYS  33   6.052   6.253   1.223
  229    HB3  LYS  33           2HB      LYS  33   7.763   5.871   1.025
  230    HG2  LYS  33           1HG      LYS  33   7.952   7.377  -0.855
  231    HG3  LYS  33           2HG      LYS  33   6.206   7.634  -0.888
  232    HD2  LYS  33           1HD      LYS  33   7.529   8.207   1.700
  233    HD3  LYS  33           2HD      LYS  33   7.941   9.300   0.378
  234    HE2  LYS  33           1HE      LYS  33   5.086   8.575   1.069
  235    HE3  LYS  33           2HE      LYS  33   5.908   9.975   1.756
  236    HZ1  LYS  33           3HZ      LYS  33   6.222  10.883  -0.403
  237    HZ2  LYS  33           1HZ      LYS  33   4.588  10.452  -0.273
  238    HZ3  LYS  33           2HZ      LYS  33   5.656   9.469  -1.156
  239    H    TYR  34           H        TYR  34   6.492   5.879  -2.860
  240    HA   TYR  34           HA       TYR  34   9.295   5.367  -3.387
  241    HB2  TYR  34           2HB      TYR  34   8.963   3.936  -5.225
  242    HB3  TYR  34           1HB      TYR  34   8.035   3.262  -3.906
  243    HD1  TYR  34           1HD      TYR  34   7.887   3.545  -7.241
  244    HD2  TYR  34           2HD      TYR  34   5.513   4.777  -3.877
  245    HE1  TYR  34           1HE      TYR  34   5.877   3.660  -8.670
  246    HE2  TYR  34           2HE      TYR  34   3.528   4.898  -5.309
  247    HH   TYR  34           HH       TYR  34   3.383   3.539  -8.386
  248    H    LYS  35           H        LYS  35   9.822   6.087  -5.667
  249    HA   LYS  35           HA       LYS  35   8.123   8.362  -6.476
  250    HB2  LYS  35           1HB      LYS  35  10.374   9.505  -7.023
  251    HB3  LYS  35           2HB      LYS  35   9.831   9.474  -5.350
  252    HG2  LYS  35           1HG      LYS  35  11.535   7.213  -6.332
  253    HG3  LYS  35           2HG      LYS  35  12.312   8.758  -6.001
  254    HD2  LYS  35           1HD      LYS  35  11.278   8.718  -3.705
  255    HD3  LYS  35           2HD      LYS  35  10.698   7.083  -4.041
  256    HE2  LYS  35           1HE      LYS  35  12.792   6.884  -2.866
  257    HE3  LYS  35           2HE      LYS  35  13.078   6.433  -4.548
  258    HZ1  LYS  35           3HZ      LYS  35  13.384   9.237  -4.122
  259    HZ2  LYS  35           1HZ      LYS  35  14.463   8.131  -4.818
  260    HZ3  LYS  35           2HZ      LYS  35  14.430   8.338  -3.133
  261    HA   PRO  36           HA       PRO  36   9.142   5.850 -10.204
  262    HB2  PRO  36           2HB      PRO  36   6.743   6.122 -11.461
  263    HB3  PRO  36           1HB      PRO  36   7.049   4.901 -10.216
  264    HG2  PRO  36           2HG      PRO  36   5.577   7.462 -10.036
  265    HG3  PRO  36           1HG      PRO  36   5.287   5.931  -9.196
  266    HD2  PRO  36           2HD      PRO  36   6.537   8.164  -8.091
  267    HD3  PRO  36           1HD      PRO  36   6.656   6.512  -7.446
  268    H    TYR  37           H        TYR  37   9.291   8.895  -9.618
  269    HA   TYR  37           HA       TYR  37   9.979  10.739 -10.803
  270    HB2  TYR  37           2HB      TYR  37   9.751   9.168 -13.367
  271    HB3  TYR  37           1HB      TYR  37  10.835  10.499 -12.979
  272    HD1  TYR  37           1HD      TYR  37  10.618   6.997 -13.277
  273    HD2  TYR  37           2HD      TYR  37  12.389  10.070 -10.852
  274    HE1  TYR  37           1HE      TYR  37  12.332   5.389 -12.492
  275    HE2  TYR  37           2HE      TYR  37  14.104   8.460 -10.068
  276    HH   TYR  37           HH       TYR  37  14.030   5.049 -11.090
  277    H    VAL  38           H        VAL  38   7.098   9.749 -10.506
  278    HA   VAL  38           HA       VAL  38   5.935  11.790 -12.273
  279    HB   VAL  38           HB       VAL  38   4.692   9.058 -11.878
  280   HG11  VAL  38          1HG1      VAL  38   3.196   9.821 -13.684
  281   HG12  VAL  38          2HG1      VAL  38   4.043  11.368 -13.738
  282   HG13  VAL  38          3HG1      VAL  38   3.119  10.919 -12.305
  283   HG21  VAL  38          3HG2      VAL  38   5.264   8.974 -14.431
  284   HG22  VAL  38          1HG2      VAL  38   6.531   8.600 -13.265
  285   HG23  VAL  38          2HG2      VAL  38   6.477  10.189 -14.027
  286    HA   PRO  39           HA       PRO  39   4.712  12.114  -7.755
  287    HB2  PRO  39           2HB      PRO  39   4.910  14.976  -8.571
  288    HB3  PRO  39           1HB      PRO  39   5.498  14.182  -7.096
  289    HG2  PRO  39           2HG      PRO  39   7.191  14.898  -8.990
  290    HG3  PRO  39           1HG      PRO  39   7.390  13.355  -8.140
  291    HD2  PRO  39           2HD      PRO  39   6.288  13.856 -10.893
  292    HD3  PRO  39           1HD      PRO  39   7.356  12.549 -10.330
  293    H    VAL  40           H        VAL  40   3.644  13.804 -10.642
  294    HA   VAL  40           HA       VAL  40   0.851  13.596  -9.702
  295    HB   VAL  40           HB       VAL  40   0.373  15.800 -10.687
  296   HG11  VAL  40          1HG1      VAL  40   1.323  15.379  -8.261
  297   HG12  VAL  40          2HG1      VAL  40   1.156  17.027  -8.867
  298   HG13  VAL  40          3HG1      VAL  40   2.733  16.237  -8.882
  299   HG21  VAL  40          3HG2      VAL  40   2.440  17.229 -11.217
  300   HG22  VAL  40          1HG2      VAL  40   2.015  15.996 -12.405
  301   HG23  VAL  40          2HG2      VAL  40   3.340  15.713 -11.276
  302    H    THR  41           H        THR  41  -0.738  13.658 -11.453
  303    HA   THR  41           HA       THR  41   0.359  12.524 -13.958
  304    HB   THR  41           HB       THR  41  -2.342  12.072 -12.666
  305    HG1  THR  41           1HG      THR  41   0.098  10.862 -12.488
  306   HG21  THR  41          3HG2      THR  41  -2.963  11.511 -14.761
  307   HG22  THR  41          1HG2      THR  41  -1.870  10.134 -14.606
  308   HG23  THR  41          2HG2      THR  41  -1.306  11.625 -15.359
  309    H    THR  42           H        THR  42   0.011  13.611 -15.786
  310    HA   THR  42           HA       THR  42  -1.210  16.163 -15.815
  311    HB   THR  42           HB       THR  42  -0.870  16.079 -18.237
  312    HG1  THR  42           1HG      THR  42  -0.328  13.344 -17.725
  313   HG21  THR  42          3HG2      THR  42   1.442  14.657 -16.910
  314   HG22  THR  42          1HG2      THR  42   1.065  16.349 -16.589
  315   HG23  THR  42          2HG2      THR  42   1.502  15.837 -18.219
  Start of MODEL    7
    1    HA   ASP   1           HA       ASP   1 -11.632   2.540   5.659
    2    HB2  ASP   1           1HB      ASP   1 -11.436   4.931   3.918
    3    HB3  ASP   1           2HB      ASP   1 -12.864   4.072   4.493
    4    H    CYS   2           H        CYS   2  -8.502   3.081   5.391
    5    HA   CYS   2           HA       CYS   2  -8.239   1.534   2.955
    6    HB2  CYS   2           2HB      CYS   2  -6.607   3.171   1.972
    7    HB3  CYS   2           1HB      CYS   2  -8.282   3.695   1.929
    8    H    ALA   3           H        ALA   3  -5.952   0.941   2.535
    9    HA   ALA   3           HA       ALA   3  -4.692   0.162   4.981
   10    HB1  ALA   3           3HB      ALA   3  -4.552  -0.595   2.243
   11    HB2  ALA   3           1HB      ALA   3  -3.832  -1.403   3.635
   12    HB3  ALA   3           2HB      ALA   3  -2.921  -0.170   2.767
   13    H    LYS   4           H        LYS   4  -2.956   1.012   6.005
   14    HA   LYS   4           HA       LYS   4  -2.018   3.637   5.084
   15    HB2  LYS   4           1HB      LYS   4  -1.641   2.173   7.712
   16    HB3  LYS   4           2HB      LYS   4  -1.026   3.789   7.362
   17    HG2  LYS   4           1HG      LYS   4  -3.332   4.566   6.929
   18    HG3  LYS   4           2HG      LYS   4  -3.942   2.955   7.305
   19    HD2  LYS   4           1HD      LYS   4  -2.965   3.136   9.581
   20    HD3  LYS   4           2HD      LYS   4  -2.427   4.774   9.203
   21    HE2  LYS   4           1HE      LYS   4  -5.311   3.836   9.136
   22    HE3  LYS   4           2HE      LYS   4  -4.581   4.771  10.442
   23    HZ1  LYS   4           3HZ      LYS   4  -5.796   6.134   8.797
   24    HZ2  LYS   4           1HZ      LYS   4  -4.684   5.655   7.610
   25    HZ3  LYS   4           2HZ      LYS   4  -4.159   6.564   8.947
   26    H    GLU   5           H        GLU   5   0.398   4.064   5.592
   27    HA   GLU   5           HA       GLU   5   2.011   2.576   3.911
   28    HB2  GLU   5           1HB      GLU   5   2.644   4.781   4.709
   29    HB3  GLU   5           2HB      GLU   5   2.822   4.161   6.352
   30    HG2  GLU   5           1HG      GLU   5   4.665   2.752   5.697
   31    HG3  GLU   5           2HG      GLU   5   4.404   3.108   3.992
   32    H    GLY   6           H        GLY   6   2.976   0.678   3.993
   33    HA2  GLY   6           1HA      GLY   6   4.064  -1.181   4.849
   34    HA3  GLY   6           2HA      GLY   6   3.858  -0.539   6.462
   35    H    GLU   7           H        GLU   7   0.902  -0.345   4.989
   36    HA   GLU   7           HA       GLU   7  -0.023  -2.717   6.428
   37    HB2  GLU   7           1HB      GLU   7  -1.155  -0.454   6.656
   38    HB3  GLU   7           2HB      GLU   7  -1.720  -0.670   4.998
   39    HG2  GLU   7           1HG      GLU   7  -2.958  -2.637   5.570
   40    HG3  GLU   7           2HG      GLU   7  -2.220  -2.717   7.168
   41    H    VAL   8           H        VAL   8  -1.313  -4.328   5.467
   42    HA   VAL   8           HA       VAL   8  -0.429  -5.250   2.989
   43    HB   VAL   8           HB       VAL   8  -2.918  -5.928   4.555
   44   HG11  VAL   8          1HG1      VAL   8  -3.486  -6.649   2.397
   45   HG12  VAL   8          2HG1      VAL   8  -2.689  -8.071   3.071
   46   HG13  VAL   8          3HG1      VAL   8  -1.811  -7.007   1.972
   47   HG21  VAL   8          3HG2      VAL   8  -0.741  -7.881   4.205
   48   HG22  VAL   8          1HG2      VAL   8  -1.605  -7.412   5.671
   49   HG23  VAL   8          2HG2      VAL   8  -0.261  -6.431   5.087
   50    H    CYS   9           H        CYS   9  -1.079  -4.975   0.908
   51    HA   CYS   9           HA       CYS   9  -3.647  -3.623   0.403
   52    HB2  CYS   9           2HB      CYS   9  -2.656  -1.976  -1.059
   53    HB3  CYS   9           1HB      CYS   9  -1.842  -1.876   0.501
   54    H    SER  10           H        SER  10  -4.315  -3.779  -1.862
   55    HA   SER  10           HA       SER  10  -4.573  -4.872  -3.874
   56    HB2  SER  10           1HB      SER  10  -1.876  -4.690  -3.636
   57    HB3  SER  10           2HB      SER  10  -2.081  -6.432  -3.698
   58    HG   SER  10           HG       SER  10  -3.271  -4.604  -5.516
   59    H    TRP  11           H        TRP  11  -3.125  -6.798  -1.289
   60    HA   TRP  11           HA       TRP  11  -3.982  -9.334  -2.070
   61    HB2  TRP  11           2HB      TRP  11  -2.432  -8.844  -0.162
   62    HB3  TRP  11           1HB      TRP  11  -3.826  -8.314   0.776
   63    HD1  TRP  11           1HD      TRP  11  -2.184 -11.427  -0.676
   64    HE1  TRP  11           1HE      TRP  11  -3.304 -13.515   0.343
   65    HE3  TRP  11           3HE      TRP  11  -6.053  -9.223   1.814
   66    HZ2  TRP  11           2HZ      TRP  11  -5.549 -14.163   1.995
   67    HZ3  TRP  11           3HZ      TRP  11  -7.669 -10.593   3.100
   68    HH2  TRP  11           2HH      TRP  11  -7.423 -13.060   3.195
   69    H    GLY  12           H        GLY  12  -5.863  -6.670  -1.448
   70    HA2  GLY  12           1HA      GLY  12  -8.317  -7.517  -1.939
   71    HA3  GLY  12           2HA      GLY  12  -8.121  -8.156  -0.308
   72    H    LYS  13           H        LYS  13  -6.286  -5.416  -0.510
   73    HA   LYS  13           HA       LYS  13  -8.486  -3.617   0.287
   74    HB2  LYS  13           1HB      LYS  13  -5.880  -4.048   1.762
   75    HB3  LYS  13           2HB      LYS  13  -7.016  -2.742   2.101
   76    HG2  LYS  13           1HG      LYS  13  -8.782  -4.398   2.580
   77    HG3  LYS  13           2HG      LYS  13  -7.647  -5.706   2.242
   78    HD2  LYS  13           1HD      LYS  13  -6.194  -4.926   4.077
   79    HD3  LYS  13           2HD      LYS  13  -7.329  -3.618   4.419
   80    HE2  LYS  13           1HE      LYS  13  -9.094  -5.270   4.906
   81    HE3  LYS  13           2HE      LYS  13  -7.966  -6.581   4.558
   82    HZ1  LYS  13           3HZ      LYS  13  -7.807  -6.384   6.829
   83    HZ2  LYS  13           1HZ      LYS  13  -7.985  -4.696   6.818
   84    HZ3  LYS  13           2HZ      LYS  13  -6.519  -5.401   6.324
   85    H    LYS  14           H        LYS  14  -8.101  -1.396  -0.070
   86    HA   LYS  14           HA       LYS  14  -6.047  -0.855  -2.106
   87    HB2  LYS  14           1HB      LYS  14  -8.437   0.789  -1.225
   88    HB3  LYS  14           2HB      LYS  14  -7.358   1.170  -2.567
   89    HG2  LYS  14           1HG      LYS  14  -8.000  -0.935  -3.688
   90    HG3  LYS  14           2HG      LYS  14  -9.063  -1.333  -2.339
   91    HD2  LYS  14           1HD      LYS  14 -10.571  -0.376  -3.839
   92    HD3  LYS  14           2HD      LYS  14 -10.127   1.020  -2.861
   93    HE2  LYS  14           1HE      LYS  14 -10.025   1.633  -5.219
   94    HE3  LYS  14           2HE      LYS  14  -8.389   1.607  -4.567
   95    HZ1  LYS  14           3HZ      LYS  14  -9.356  -0.907  -5.636
   96    HZ2  LYS  14           1HZ      LYS  14  -7.833  -0.177  -5.790
   97    HZ3  LYS  14           2HZ      LYS  14  -9.118   0.324  -6.781
   98    H    CYS  15           H        CYS  15  -4.465   0.600  -1.833
   99    HA   CYS  15           HA       CYS  15  -3.735   1.312   0.842
  100    HB2  CYS  15           2HB      CYS  15  -2.207   0.779  -1.177
  101    HB3  CYS  15           1HB      CYS  15  -2.490   2.451  -1.638
  102    H    CYS  16           H        CYS  16  -3.614   3.373   1.752
  103    HA   CYS  16           HA       CYS  16  -5.711   5.148   1.232
  104    HB2  CYS  16           2HB      CYS  16  -3.122   5.483   2.753
  105    HB3  CYS  16           1HB      CYS  16  -4.403   6.687   2.762
  106    H    ASP  17           H        ASP  17  -2.323   5.236   0.257
  107    HA   ASP  17           HA       ASP  17  -3.013   7.409  -1.633
  108    HB2  ASP  17           1HB      ASP  17  -0.558   7.050   0.074
  109    HB3  ASP  17           2HB      ASP  17  -0.541   8.051  -1.379
  110    H    LEU  18           H        LEU  18  -3.371   5.988  -3.348
  111    HA   LEU  18           HA       LEU  18  -1.379   4.024  -4.069
  112    HB2  LEU  18           1HB      LEU  18  -3.919   4.996  -5.383
  113    HB3  LEU  18           2HB      LEU  18  -2.873   3.782  -6.114
  114    HG   LEU  18           HG       LEU  18  -3.822   3.434  -3.276
  115   HD11  LEU  18          1HD1      LEU  18  -5.890   3.763  -4.445
  116   HD12  LEU  18          2HD1      LEU  18  -5.677   2.017  -4.305
  117   HD13  LEU  18          3HD1      LEU  18  -5.329   2.828  -5.831
  118   HD21  LEU  18          3HD2      LEU  18  -2.087   1.988  -4.816
  119   HD22  LEU  18          1HD2      LEU  18  -3.606   1.197  -5.216
  120   HD23  LEU  18          2HD2      LEU  18  -3.071   1.276  -3.542
  121    H    ASP  19           H        ASP  19  -1.565   7.318  -4.394
  122    HA   ASP  19           HA       ASP  19  -0.225   7.392  -7.005
  123    HB2  ASP  19           1HB      ASP  19  -1.321   9.551  -5.200
  124    HB3  ASP  19           2HB      ASP  19  -0.437   9.878  -6.692
  125    H    ASN  20           H        ASN  20   0.587   7.130  -3.764
  126    HA   ASN  20           HA       ASN  20   3.292   8.190  -4.312
  127    HB2  ASN  20           1HB      ASN  20   1.760   8.487  -1.721
  128    HB3  ASN  20           2HB      ASN  20   3.420   8.977  -1.981
  129   HD21  ASN  20          1HD2      ASN  20   0.659  11.613  -2.712
  130   HD22  ASN  20          2HD2      ASN  20   0.618  10.373  -1.565
  131    H    PHE  21           H        PHE  21   1.381   5.578  -3.449
  132    HA   PHE  21           HA       PHE  21   3.719   4.132  -2.388
  133    HB2  PHE  21           2HB      PHE  21   0.857   3.855  -1.458
  134    HB3  PHE  21           1HB      PHE  21   2.178   2.814  -0.962
  135    HD1  PHE  21           1HD      PHE  21   1.325   6.455  -1.168
  136    HD2  PHE  21           2HD      PHE  21   3.379   3.363   0.974
  137    HE1  PHE  21           1HE      PHE  21   1.911   8.082   0.595
  138    HE2  PHE  21           2HE      PHE  21   3.974   4.997   2.740
  139    HZ   PHE  21           HZ       PHE  21   3.241   7.351   2.553
  140    H    TYR  22           H        TYR  22   3.617   1.788  -2.724
  141    HA   TYR  22           HA       TYR  22   1.905   0.992  -4.996
  142    HB2  TYR  22           2HB      TYR  22   3.767  -0.011  -6.140
  143    HB3  TYR  22           1HB      TYR  22   4.227   1.647  -5.765
  144    HD1  TYR  22           1HD      TYR  22   4.655  -1.898  -4.812
  145    HD2  TYR  22           2HD      TYR  22   5.938   2.151  -4.238
  146    HE1  TYR  22           1HE      TYR  22   6.678  -2.695  -3.730
  147    HE2  TYR  22           2HE      TYR  22   7.961   1.347  -3.109
  148    HH   TYR  22           HH       TYR  22   9.318  -0.620  -2.912
  149    H    CYS  23           H        CYS  23   1.786  -1.356  -5.259
  150    HA   CYS  23           HA       CYS  23   1.965  -2.686  -2.666
  151    HB2  CYS  23           2HB      CYS  23   0.288  -3.264  -5.081
  152    HB3  CYS  23           1HB      CYS  23   0.415  -4.352  -3.702
  153    HA   PRO  24           HA       PRO  24   5.668  -4.677  -4.501
  154    HB2  PRO  24           2HB      PRO  24   5.211  -6.421  -2.122
  155    HB3  PRO  24           1HB      PRO  24   6.694  -5.648  -2.679
  156    HG2  PRO  24           2HG      PRO  24   5.335  -4.704  -0.619
  157    HG3  PRO  24           1HG      PRO  24   6.193  -3.652  -1.723
  158    HD2  PRO  24           2HD      PRO  24   3.280  -4.103  -1.428
  159    HD3  PRO  24           1HD      PRO  24   4.152  -2.670  -2.007
  160    H    MET  25           H        MET  25   6.154  -6.776  -5.360
  161    HA   MET  25           HA       MET  25   3.807  -8.157  -6.337
  162    HB2  MET  25           1HB      MET  25   6.746  -8.730  -6.794
  163    HB3  MET  25           2HB      MET  25   5.405  -9.469  -7.668
  164    HG2  MET  25           1HG      MET  25   5.982  -7.731  -9.109
  165    HG3  MET  25           2HG      MET  25   4.716  -6.971  -8.142
  166    HE1  MET  25           3HE      MET  25   9.203  -6.192  -8.189
  167    HE2  MET  25           1HE      MET  25   8.155  -6.681  -9.528
  168    HE3  MET  25           2HE      MET  25   8.486  -7.802  -8.211
  169    H    GLU  26           H        GLU  26   5.572  -8.406  -3.546
  170    HA   GLU  26           HA       GLU  26   5.885 -11.177  -3.196
  171    HB2  GLU  26           1HB      GLU  26   5.489  -8.922  -1.213
  172    HB3  GLU  26           2HB      GLU  26   5.883 -10.578  -0.748
  173    HG2  GLU  26           1HG      GLU  26   7.955 -10.478  -2.059
  174    HG3  GLU  26           2HG      GLU  26   7.553  -8.850  -2.601
  175    H    PHE  27           H        PHE  27   4.634 -12.567  -1.916
  176    HA   PHE  27           HA       PHE  27   1.918 -12.680  -2.579
  177    HB2  PHE  27           2HB      PHE  27   1.793 -14.497  -0.867
  178    HB3  PHE  27           1HB      PHE  27   3.115 -14.700  -2.013
  179    HD1  PHE  27           1HD      PHE  27   2.211 -14.197   1.482
  180    HD2  PHE  27           2HD      PHE  27   5.440 -14.057  -1.346
  181    HE1  PHE  27           1HE      PHE  27   3.850 -14.221   3.348
  182    HE2  PHE  27           2HE      PHE  27   7.074 -14.075   0.514
  183    HZ   PHE  27           HZ       PHE  27   6.281 -14.155   2.861
  184    H    ILE  28           H        ILE  28   3.474 -10.782  -0.274
  185    HA   ILE  28           HA       ILE  28   0.893 -10.064   0.942
  186    HB   ILE  28           HB       ILE  28   2.218  -9.714   3.104
  187   HG12  ILE  28          1HG1      ILE  28   4.095 -11.673   1.748
  188   HG13  ILE  28          2HG1      ILE  28   4.458  -9.971   1.972
  189   HG21  ILE  28          1HG2      ILE  28   2.291 -12.485   3.201
  190   HG22  ILE  28          2HG2      ILE  28   1.129 -12.162   1.921
  191   HG23  ILE  28          3HG2      ILE  28   0.879 -11.486   3.527
  192   HD11  ILE  28          3HD1      ILE  28   4.824 -12.088   3.841
  193   HD12  ILE  28          1HD1      ILE  28   3.576 -11.022   4.482
  194   HD13  ILE  28          2HD1      ILE  28   5.163 -10.374   4.067
  195    HA   PRO  29           HA       PRO  29   3.288  -6.478  -0.842
  196    HB2  PRO  29           2HB      PRO  29   0.517  -5.653  -1.499
  197    HB3  PRO  29           1HB      PRO  29   1.957  -5.680  -2.532
  198    HG2  PRO  29           2HG      PRO  29   0.015  -7.464  -2.838
  199    HG3  PRO  29           1HG      PRO  29   1.718  -7.928  -3.022
  200    HD2  PRO  29           2HD      PRO  29  -0.123  -8.403  -0.695
  201    HD3  PRO  29           1HD      PRO  29   1.086  -9.487  -1.409
  202    H    HIS  30           H        HIS  30   3.663  -4.601   0.255
  203    HA   HIS  30           HA       HIS  30   1.625  -3.737   2.226
  204    HB2  HIS  30           1HB      HIS  30   4.627  -3.787   2.645
  205    HB3  HIS  30           2HB      HIS  30   3.449  -3.093   3.750
  206    HD1  HIS  30           HD1      HIS  30   4.782  -6.376   2.553
  207    HD2  HIS  30           HD2      HIS  30   1.789  -4.971   5.089
  208    HE1  HIS  30           HE1      HIS  30   3.978  -8.373   3.894
  209    H    CYS  31           H        CYS  31   1.167  -1.602   2.263
  210    HA   CYS  31           HA       CYS  31   1.709   0.065   0.128
  211    HB2  CYS  31           2HB      CYS  31   1.021   0.662   2.992
  212    HB3  CYS  31           1HB      CYS  31   1.212   1.945   1.808
  213    H    LYS  32           H        LYS  32   3.710   0.469  -0.588
  214    HA   LYS  32           HA       LYS  32   5.706   1.449   1.374
  215    HB2  LYS  32           1HB      LYS  32   6.350  -0.690   0.343
  216    HB3  LYS  32           2HB      LYS  32   6.154   0.017  -1.239
  217    HG2  LYS  32           1HG      LYS  32   8.534  -0.011  -0.568
  218    HG3  LYS  32           2HG      LYS  32   7.960   1.639  -0.763
  219    HD2  LYS  32           1HD      LYS  32   7.913   2.039   1.542
  220    HD3  LYS  32           2HD      LYS  32   7.803   0.321   1.935
  221    HE2  LYS  32           1HE      LYS  32  10.040   1.193   2.465
  222    HE3  LYS  32           2HE      LYS  32  10.135   0.014   1.156
  223    HZ1  LYS  32           3HZ      LYS  32  11.333   2.278   0.931
  224    HZ2  LYS  32           1HZ      LYS  32   9.792   2.865   0.533
  225    HZ3  LYS  32           2HZ      LYS  32  10.499   1.638  -0.403
  226    H    LYS  33           H        LYS  33   6.359   3.476   1.134
  227    HA   LYS  33           HA       LYS  33   5.390   5.075  -1.045
  228    HB2  LYS  33           1HB      LYS  33   5.886   5.740   1.466
  229    HB3  LYS  33           2HB      LYS  33   7.492   6.059   0.832
  230    HG2  LYS  33           1HG      LYS  33   6.628   7.631  -0.790
  231    HG3  LYS  33           2HG      LYS  33   4.961   7.217  -0.381
  232    HD2  LYS  33           1HD      LYS  33   5.456   7.983   1.982
  233    HD3  LYS  33           2HD      LYS  33   6.984   8.618   1.371
  234    HE2  LYS  33           1HE      LYS  33   5.780  10.028  -0.235
  235    HE3  LYS  33           2HE      LYS  33   4.238   9.368   0.327
  236    HZ1  LYS  33           3HZ      LYS  33   4.692  11.476   1.388
  237    HZ2  LYS  33           1HZ      LYS  33   6.188  10.914   1.957
  238    HZ3  LYS  33           2HZ      LYS  33   4.746  10.232   2.543
  239    H    TYR  34           H        TYR  34   6.482   5.940  -2.687
  240    HA   TYR  34           HA       TYR  34   9.336   5.471  -3.073
  241    HB2  TYR  34           2HB      TYR  34   8.990   4.447  -5.255
  242    HB3  TYR  34           1HB      TYR  34   8.272   3.473  -3.997
  243    HD1  TYR  34           1HD      TYR  34   5.937   6.106  -4.194
  244    HD2  TYR  34           2HD      TYR  34   7.429   2.819  -6.555
  245    HE1  TYR  34           1HE      TYR  34   3.881   6.124  -5.531
  246    HE2  TYR  34           2HE      TYR  34   5.343   2.864  -7.883
  247    HH   TYR  34           HH       TYR  34   3.485   5.133  -8.272
  248    H    LYS  35           H        LYS  35   9.315   6.042  -5.858
  249    HA   LYS  35           HA       LYS  35   8.459   8.867  -5.851
  250    HB2  LYS  35           1HB      LYS  35  10.286   9.022  -7.687
  251    HB3  LYS  35           2HB      LYS  35  10.782   8.949  -5.996
  252    HG2  LYS  35           1HG      LYS  35  10.433   6.351  -7.410
  253    HG3  LYS  35           2HG      LYS  35  11.827   7.332  -7.864
  254    HD2  LYS  35           1HD      LYS  35  12.569   7.439  -5.548
  255    HD3  LYS  35           2HD      LYS  35  11.133   6.579  -5.006
  256    HE2  LYS  35           1HE      LYS  35  13.060   5.054  -5.183
  257    HE3  LYS  35           2HE      LYS  35  11.799   4.617  -6.336
  258    HZ1  LYS  35           3HZ      LYS  35  14.401   5.082  -6.942
  259    HZ2  LYS  35           1HZ      LYS  35  13.651   6.541  -7.373
  260    HZ3  LYS  35           2HZ      LYS  35  13.113   5.076  -8.050
  261    HA   PRO  36           HA       PRO  36   5.637   6.971  -9.005
  262    HB2  PRO  36           2HB      PRO  36   4.768   9.837  -9.017
  263    HB3  PRO  36           1HB      PRO  36   3.783   8.362  -8.945
  264    HG2  PRO  36           2HG      PRO  36   4.163   9.865  -6.796
  265    HG3  PRO  36           1HG      PRO  36   4.105   8.099  -6.687
  266    HD2  PRO  36           2HD      PRO  36   6.471   9.921  -6.516
  267    HD3  PRO  36           1HD      PRO  36   6.180   8.361  -5.704
  268    H    TYR  37           H        TYR  37   5.705   7.038 -11.243
  269    HA   TYR  37           HA       TYR  37   7.641   8.929 -12.436
  270    HB2  TYR  37           2HB      TYR  37   6.743   6.188 -13.353
  271    HB3  TYR  37           1HB      TYR  37   7.888   7.221 -14.212
  272    HD1  TYR  37           1HD      TYR  37   7.297   5.320 -11.091
  273    HD2  TYR  37           2HD      TYR  37  10.161   7.471 -13.458
  274    HE1  TYR  37           1HE      TYR  37   9.123   4.469  -9.649
  275    HE2  TYR  37           2HE      TYR  37  11.994   6.619 -12.018
  276    HH   TYR  37           HH       TYR  37  11.302   4.487  -9.239
  277    H    VAL  38           H        VAL  38   7.134   9.995 -14.343
  278    HA   VAL  38           HA       VAL  38   4.453  10.764 -14.677
  279    HB   VAL  38           HB       VAL  38   5.316  11.773 -16.855
  280   HG11  VAL  38          1HG1      VAL  38   6.483  12.279 -14.129
  281   HG12  VAL  38          2HG1      VAL  38   5.305  13.236 -15.026
  282   HG13  VAL  38          3HG1      VAL  38   7.001  13.249 -15.509
  283   HG21  VAL  38          3HG2      VAL  38   7.291   9.865 -16.550
  284   HG22  VAL  38          1HG2      VAL  38   8.090  11.334 -15.990
  285   HG23  VAL  38          2HG2      VAL  38   7.394  11.271 -17.611
  286    HA   PRO  39           HA       PRO  39   2.820   7.561 -17.265
  287    HB2  PRO  39           2HB      PRO  39   0.955   8.959 -18.703
  288    HB3  PRO  39           1HB      PRO  39   0.738   8.512 -17.001
  289    HG2  PRO  39           2HG      PRO  39   1.598  11.111 -18.180
  290    HG3  PRO  39           1HG      PRO  39   0.485  10.793 -16.837
  291    HD2  PRO  39           2HD      PRO  39   3.053  11.569 -16.426
  292    HD3  PRO  39           1HD      PRO  39   2.201  10.488 -15.303
  293    H    VAL  40           H        VAL  40   2.801   6.768 -19.429
  294    HA   VAL  40           HA       VAL  40   4.503   8.313 -21.289
  295    HB   VAL  40           HB       VAL  40   5.524   6.212 -20.535
  296   HG11  VAL  40          1HG1      VAL  40   3.097   4.877 -21.776
  297   HG12  VAL  40          2HG1      VAL  40   3.365   5.046 -20.041
  298   HG13  VAL  40          3HG1      VAL  40   4.465   4.067 -21.012
  299   HG21  VAL  40          3HG2      VAL  40   4.597   5.620 -23.325
  300   HG22  VAL  40          1HG2      VAL  40   6.226   5.551 -22.652
  301   HG23  VAL  40          2HG2      VAL  40   5.495   7.109 -23.035
  302    H    THR  41           H        THR  41   3.921   8.468 -23.443
  303    HA   THR  41           HA       THR  41   2.516   8.590 -25.251
  304    HB   THR  41           HB       THR  41   0.948   6.293 -24.091
  305    HG1  THR  41           1HG      THR  41   2.952   5.588 -25.754
  306   HG21  THR  41          3HG2      THR  41   0.249   7.492 -26.214
  307   HG22  THR  41          1HG2      THR  41   0.542   5.762 -26.394
  308   HG23  THR  41          2HG2      THR  41   1.754   6.923 -26.938
  309    H    THR  42           H        THR  42   1.761  10.619 -24.370
  310    HA   THR  42           HA       THR  42  -0.662  10.653 -22.782
  311    HB   THR  42           HB       THR  42  -0.504  13.128 -23.128
  312    HG1  THR  42           1HG      THR  42   1.861  13.432 -24.035
  313   HG21  THR  42          3HG2      THR  42   0.575  12.258 -21.189
  314   HG22  THR  42          1HG2      THR  42   1.756  13.323 -21.952
  315   HG23  THR  42          2HG2      THR  42   1.893  11.575 -22.144
  Start of MODEL    8
    1    HA   ASP   1           HA       ASP   1 -12.050   2.058   5.189
    2    HB2  ASP   1           1HB      ASP   1 -10.310   4.302   6.227
    3    HB3  ASP   1           2HB      ASP   1 -11.306   4.472   4.783
    4    H    CYS   2           H        CYS   2  -8.567   2.367   5.620
    5    HA   CYS   2           HA       CYS   2  -8.095   1.192   3.019
    6    HB2  CYS   2           2HB      CYS   2  -6.743   3.026   2.157
    7    HB3  CYS   2           1HB      CYS   2  -8.396   3.567   2.433
    8    H    ALA   3           H        ALA   3  -5.678   1.005   2.601
    9    HA   ALA   3           HA       ALA   3  -4.400   0.240   5.127
   10    HB1  ALA   3           3HB      ALA   3  -3.596  -1.471   3.928
   11    HB2  ALA   3           1HB      ALA   3  -2.793  -0.349   2.829
   12    HB3  ALA   3           2HB      ALA   3  -4.452  -0.857   2.514
   13    H    LYS   4           H        LYS   4  -2.933   1.495   6.060
   14    HA   LYS   4           HA       LYS   4  -1.953   3.872   4.740
   15    HB2  LYS   4           1HB      LYS   4  -2.487   3.316   7.332
   16    HB3  LYS   4           2HB      LYS   4  -0.749   3.027   7.312
   17    HG2  LYS   4           1HG      LYS   4  -0.812   5.306   7.767
   18    HG3  LYS   4           2HG      LYS   4  -0.692   5.327   6.009
   19    HD2  LYS   4           1HD      LYS   4  -3.260   5.334   5.990
   20    HD3  LYS   4           2HD      LYS   4  -3.158   5.710   7.711
   21    HE2  LYS   4           1HE      LYS   4  -3.297   7.820   6.617
   22    HE3  LYS   4           2HE      LYS   4  -1.598   7.628   7.050
   23    HZ1  LYS   4           3HZ      LYS   4  -2.641   8.069   4.531
   24    HZ2  LYS   4           1HZ      LYS   4  -2.120   6.455   4.526
   25    HZ3  LYS   4           2HZ      LYS   4  -1.032   7.698   4.924
   26    H    GLU   5           H        GLU   5   0.620   4.165   5.672
   27    HA   GLU   5           HA       GLU   5   2.142   2.764   3.761
   28    HB2  GLU   5           1HB      GLU   5   2.817   4.929   4.698
   29    HB3  GLU   5           2HB      GLU   5   3.057   4.177   6.273
   30    HG2  GLU   5           1HG      GLU   5   4.811   2.732   5.353
   31    HG3  GLU   5           2HG      GLU   5   4.535   3.391   3.744
   32    H    GLY   6           H        GLY   6   3.038   0.815   3.770
   33    HA2  GLY   6           1HA      GLY   6   4.063  -1.109   4.545
   34    HA3  GLY   6           2HA      GLY   6   3.964  -0.483   6.178
   35    H    GLU   7           H        GLU   7   0.948  -0.160   4.875
   36    HA   GLU   7           HA       GLU   7  -0.012  -2.476   6.360
   37    HB2  GLU   7           1HB      GLU   7  -1.552  -0.313   4.902
   38    HB3  GLU   7           2HB      GLU   7  -2.239  -1.524   5.979
   39    HG2  GLU   7           1HG      GLU   7  -0.136   0.504   6.799
   40    HG3  GLU   7           2HG      GLU   7  -1.858   0.660   7.128
   41    H    VAL   8           H        VAL   8  -1.413  -4.061   5.462
   42    HA   VAL   8           HA       VAL   8  -0.541  -5.101   3.010
   43    HB   VAL   8           HB       VAL   8  -3.025  -5.685   4.632
   44   HG11  VAL   8          1HG1      VAL   8  -2.892  -7.880   3.269
   45   HG12  VAL   8          2HG1      VAL   8  -1.905  -6.961   2.134
   46   HG13  VAL   8          3HG1      VAL   8  -3.565  -6.464   2.462
   47   HG21  VAL   8          3HG2      VAL   8  -0.406  -7.184   4.309
   48   HG22  VAL   8          1HG2      VAL   8  -1.739  -7.628   5.374
   49   HG23  VAL   8          2HG2      VAL   8  -0.813  -6.160   5.687
   50    H    CYS   9           H        CYS   9  -1.080  -4.672   0.943
   51    HA   CYS   9           HA       CYS   9  -3.703  -3.430   0.409
   52    HB2  CYS   9           2HB      CYS   9  -2.715  -1.788  -1.071
   53    HB3  CYS   9           1HB      CYS   9  -2.004  -1.640   0.531
   54    H    SER  10           H        SER  10  -4.684  -4.760  -0.897
   55    HA   SER  10           HA       SER  10  -3.704  -5.450  -3.462
   56    HB2  SER  10           1HB      SER  10  -2.275  -6.991  -2.213
   57    HB3  SER  10           2HB      SER  10  -3.684  -7.703  -1.441
   58    HG   SER  10           HG       SER  10  -3.163  -7.605  -4.236
   59    H    TRP  11           H        TRP  11  -5.114  -8.173  -3.152
   60    HA   TRP  11           HA       TRP  11  -7.615  -7.393  -4.169
   61    HB2  TRP  11           2HB      TRP  11  -8.207  -9.700  -4.072
   62    HB3  TRP  11           1HB      TRP  11  -6.477  -9.654  -4.405
   63    HD1  TRP  11           1HD      TRP  11  -4.804 -10.299  -2.385
   64    HE1  TRP  11           1HE      TRP  11  -5.189 -11.674  -0.246
   65    HE3  TRP  11           3HE      TRP  11  -9.916 -10.327  -2.248
   66    HZ2  TRP  11           2HZ      TRP  11  -7.365 -12.661   1.320
   67    HZ3  TRP  11           3HZ      TRP  11 -11.115 -11.497  -0.418
   68    HH2  TRP  11           2HH      TRP  11  -9.845 -12.664   1.366
   69    H    GLY  12           H        GLY  12  -6.600  -8.297  -0.893
   70    HA2  GLY  12           1HA      GLY  12  -9.187  -8.319   0.264
   71    HA3  GLY  12           2HA      GLY  12  -7.673  -8.128   1.138
   72    H    LYS  13           H        LYS  13  -6.693  -5.790   0.112
   73    HA   LYS  13           HA       LYS  13  -8.767  -3.741   0.424
   74    HB2  LYS  13           1HB      LYS  13  -6.385  -4.066   2.255
   75    HB3  LYS  13           2HB      LYS  13  -7.311  -2.572   2.128
   76    HG2  LYS  13           1HG      LYS  13  -9.361  -3.777   2.783
   77    HG3  LYS  13           2HG      LYS  13  -8.450  -5.281   2.893
   78    HD2  LYS  13           1HD      LYS  13  -7.036  -4.307   4.653
   79    HD3  LYS  13           2HD      LYS  13  -7.943  -2.796   4.550
   80    HE2  LYS  13           1HE      LYS  13 -10.010  -3.996   5.175
   81    HE3  LYS  13           2HE      LYS  13  -9.103  -5.504   5.278
   82    HZ1  LYS  13           3HZ      LYS  13  -8.943  -4.883   7.425
   83    HZ2  LYS  13           1HZ      LYS  13  -9.140  -3.232   7.093
   84    HZ3  LYS  13           2HZ      LYS  13  -7.630  -3.971   6.848
   85    H    LYS  14           H        LYS  14  -7.864  -1.523   0.011
   86    HA   LYS  14           HA       LYS  14  -5.633  -1.625  -1.931
   87    HB2  LYS  14           1HB      LYS  14  -8.092   0.143  -1.877
   88    HB3  LYS  14           2HB      LYS  14  -6.759   0.309  -3.018
   89    HG2  LYS  14           1HG      LYS  14  -7.163  -1.986  -3.836
   90    HG3  LYS  14           2HG      LYS  14  -8.496  -2.159  -2.692
   91    HD2  LYS  14           1HD      LYS  14  -9.669  -0.273  -3.764
   92    HD3  LYS  14           2HD      LYS  14  -8.338  -0.095  -4.909
   93    HE2  LYS  14           1HE      LYS  14  -8.737  -2.364  -5.755
   94    HE3  LYS  14           2HE      LYS  14 -10.046  -2.582  -4.593
   95    HZ1  LYS  14           3HZ      LYS  14 -11.441  -1.379  -5.827
   96    HZ2  LYS  14           1HZ      LYS  14 -10.343  -1.629  -7.096
   97    HZ3  LYS  14           2HZ      LYS  14 -10.277  -0.195  -6.188
   98    H    CYS  15           H        CYS  15  -4.072  -0.111  -1.807
   99    HA   CYS  15           HA       CYS  15  -3.529   1.044   0.711
  100    HB2  CYS  15           2HB      CYS  15  -1.930   0.405  -1.250
  101    HB3  CYS  15           1HB      CYS  15  -2.300   2.019  -1.842
  102    H    CYS  16           H        CYS  16  -3.980   3.031   1.533
  103    HA   CYS  16           HA       CYS  16  -6.058   4.601   0.626
  104    HB2  CYS  16           2HB      CYS  16  -4.282   4.663   2.767
  105    HB3  CYS  16           1HB      CYS  16  -4.030   6.208   1.951
  106    H    ASP  17           H        ASP  17  -2.662   5.624   0.435
  107    HA   ASP  17           HA       ASP  17  -3.374   7.271  -1.903
  108    HB2  ASP  17           1HB      ASP  17  -1.076   7.366   0.051
  109    HB3  ASP  17           2HB      ASP  17  -1.074   8.287  -1.451
  110    H    LEU  18           H        LEU  18  -3.294   5.841  -3.595
  111    HA   LEU  18           HA       LEU  18  -1.080   4.008  -3.915
  112    HB2  LEU  18           1HB      LEU  18  -3.426   4.741  -5.682
  113    HB3  LEU  18           2HB      LEU  18  -2.216   3.534  -6.119
  114    HG   LEU  18           HG       LEU  18  -3.565   3.330  -3.448
  115   HD11  LEU  18          1HD1      LEU  18  -4.723   2.355  -6.080
  116   HD12  LEU  18          2HD1      LEU  18  -5.407   3.630  -5.073
  117   HD13  LEU  18          3HD1      LEU  18  -5.357   1.970  -4.479
  118   HD21  LEU  18          3HD2      LEU  18  -3.186   0.928  -3.846
  119   HD22  LEU  18          1HD2      LEU  18  -1.677   1.811  -4.074
  120   HD23  LEU  18          2HD2      LEU  18  -2.606   1.277  -5.474
  121    H    ASP  19           H        ASP  19  -1.602   7.269  -4.547
  122    HA   ASP  19           HA       ASP  19   0.098   7.393  -6.907
  123    HB2  ASP  19           1HB      ASP  19  -0.298   9.805  -6.787
  124    HB3  ASP  19           2HB      ASP  19  -1.820   8.922  -6.693
  125    H    ASN  20           H        ASN  20   0.645   6.994  -3.693
  126    HA   ASN  20           HA       ASN  20   3.301   8.275  -3.875
  127    HB2  ASN  20           1HB      ASN  20   1.484   8.188  -1.459
  128    HB3  ASN  20           2HB      ASN  20   3.140   8.775  -1.447
  129   HD21  ASN  20          1HD2      ASN  20   0.196  11.244  -2.498
  130   HD22  ASN  20          2HD2      ASN  20  -0.058   9.752  -1.741
  131    H    PHE  21           H        PHE  21   1.313   5.648  -2.668
  132    HA   PHE  21           HA       PHE  21   3.792   4.185  -1.993
  133    HB2  PHE  21           2HB      PHE  21   1.012   3.812  -0.853
  134    HB3  PHE  21           1HB      PHE  21   2.445   2.880  -0.412
  135    HD1  PHE  21           1HD      PHE  21   0.946   6.273  -0.399
  136    HD2  PHE  21           2HD      PHE  21   4.103   3.774   1.129
  137    HE1  PHE  21           1HE      PHE  21   1.525   8.008   1.265
  138    HE2  PHE  21           2HE      PHE  21   4.659   5.514   2.779
  139    HZ   PHE  21           HZ       PHE  21   3.389   7.633   2.847
  140    H    TYR  22           H        TYR  22   3.979   2.052  -2.713
  141    HA   TYR  22           HA       TYR  22   2.000   1.237  -4.763
  142    HB2  TYR  22           2HB      TYR  22   3.796   0.298  -6.043
  143    HB3  TYR  22           1HB      TYR  22   4.329   1.901  -5.557
  144    HD1  TYR  22           1HD      TYR  22   4.713  -1.721  -4.905
  145    HD2  TYR  22           2HD      TYR  22   6.066   2.241  -4.009
  146    HE1  TYR  22           1HE      TYR  22   6.726  -2.623  -3.904
  147    HE2  TYR  22           2HE      TYR  22   8.067   1.315  -2.956
  148    HH   TYR  22           HH       TYR  22   9.427  -0.805  -3.066
  149    H    CYS  23           H        CYS  23   1.851  -1.110  -5.101
  150    HA   CYS  23           HA       CYS  23   2.050  -2.511  -2.536
  151    HB2  CYS  23           2HB      CYS  23   0.321  -3.029  -4.951
  152    HB3  CYS  23           1HB      CYS  23   0.413  -4.086  -3.538
  153    HA   PRO  24           HA       PRO  24   5.642  -4.541  -4.557
  154    HB2  PRO  24           2HB      PRO  24   5.283  -6.245  -2.129
  155    HB3  PRO  24           1HB      PRO  24   6.749  -5.492  -2.769
  156    HG2  PRO  24           2HG      PRO  24   5.508  -4.511  -0.659
  157    HG3  PRO  24           1HG      PRO  24   6.288  -3.471  -1.841
  158    HD2  PRO  24           2HD      PRO  24   3.413  -3.963  -1.360
  159    HD3  PRO  24           1HD      PRO  24   4.233  -2.517  -1.973
  160    H    MET  25           H        MET  25   5.963  -6.497  -5.629
  161    HA   MET  25           HA       MET  25   3.530  -7.955  -6.254
  162    HB2  MET  25           1HB      MET  25   6.367  -8.300  -7.257
  163    HB3  MET  25           2HB      MET  25   4.953  -9.136  -7.899
  164    HG2  MET  25           1HG      MET  25   3.934  -6.973  -8.493
  165    HG3  MET  25           2HG      MET  25   5.333  -6.128  -7.833
  166    HE1  MET  25           3HE      MET  25   5.672  -5.617 -11.664
  167    HE2  MET  25           1HE      MET  25   5.734  -4.839 -10.077
  168    HE3  MET  25           2HE      MET  25   4.249  -5.609 -10.625
  169    H    GLU  26           H        GLU  26   3.307  -8.801  -4.009
  170    HA   GLU  26           HA       GLU  26   4.629 -11.401  -3.799
  171    HB2  GLU  26           1HB      GLU  26   4.552  -9.321  -1.604
  172    HB3  GLU  26           2HB      GLU  26   4.950 -11.018  -1.338
  173    HG2  GLU  26           1HG      GLU  26   6.821 -10.827  -2.944
  174    HG3  GLU  26           2HG      GLU  26   6.431  -9.125  -3.189
  175    H    PHE  27           H        PHE  27   3.593 -12.527  -1.770
  176    HA   PHE  27           HA       PHE  27   0.893 -13.006  -2.367
  177    HB2  PHE  27           2HB      PHE  27   2.283 -14.656  -1.204
  178    HB3  PHE  27           1HB      PHE  27   2.390 -13.596   0.201
  179    HD1  PHE  27           1HD      PHE  27  -0.161 -15.197  -2.033
  180    HD2  PHE  27           2HD      PHE  27   0.810 -13.822   1.919
  181    HE1  PHE  27           1HE      PHE  27  -2.306 -16.114  -1.187
  182    HE2  PHE  27           2HE      PHE  27  -1.334 -14.738   2.763
  183    HZ   PHE  27           HZ       PHE  27  -2.891 -15.883   1.210
  184    H    ILE  28           H        ILE  28   2.376 -11.089   0.228
  185    HA   ILE  28           HA       ILE  28  -0.216  -9.722   0.608
  186    HB   ILE  28           HB       ILE  28   0.611  -9.431   3.025
  187   HG12  ILE  28          1HG1      ILE  28   2.173 -11.920   2.289
  188   HG13  ILE  28          2HG1      ILE  28   2.916 -10.329   2.447
  189   HG21  ILE  28          1HG2      ILE  28  -0.634 -11.754   1.669
  190   HG22  ILE  28          2HG2      ILE  28  -1.242 -10.763   2.993
  191   HG23  ILE  28          3HG2      ILE  28  -0.079 -12.047   3.319
  192   HD11  ILE  28          3HD1      ILE  28   2.725 -10.314   4.724
  193   HD12  ILE  28          1HD1      ILE  28   2.685 -12.066   4.515
  194   HD13  ILE  28          2HD1      ILE  28   1.180 -11.165   4.701
  195    HA   PRO  29           HA       PRO  29   3.077  -6.703  -0.736
  196    HB2  PRO  29           2HB      PRO  29   0.556  -5.344  -1.538
  197    HB3  PRO  29           1HB      PRO  29   2.059  -5.548  -2.450
  198    HG2  PRO  29           2HG      PRO  29  -0.102  -6.967  -3.031
  199    HG3  PRO  29           1HG      PRO  29   1.506  -7.707  -3.104
  200    HD2  PRO  29           2HD      PRO  29  -0.617  -8.024  -1.023
  201    HD3  PRO  29           1HD      PRO  29   0.544  -9.214  -1.643
  202    H    HIS  30           H        HIS  30   3.654  -4.769   0.254
  203    HA   HIS  30           HA       HIS  30   1.769  -3.721   2.299
  204    HB2  HIS  30           1HB      HIS  30   4.778  -3.999   2.548
  205    HB3  HIS  30           2HB      HIS  30   3.724  -3.227   3.724
  206    HD1  HIS  30           HD1      HIS  30   4.853  -6.565   2.547
  207    HD2  HIS  30           HD2      HIS  30   1.896  -5.018   5.045
  208    HE1  HIS  30           HE1      HIS  30   3.964  -8.520   3.892
  209    H    CYS  31           H        CYS  31   1.345  -1.607   2.170
  210    HA   CYS  31           HA       CYS  31   2.048  -0.010   0.030
  211    HB2  CYS  31           2HB      CYS  31   1.335   0.743   2.856
  212    HB3  CYS  31           1HB      CYS  31   1.461   1.922   1.560
  213    H    LYS  32           H        LYS  32   3.875   0.899  -0.603
  214    HA   LYS  32           HA       LYS  32   5.842   1.738   1.421
  215    HB2  LYS  32           1HB      LYS  32   6.463  -0.511   0.487
  216    HB3  LYS  32           2HB      LYS  32   6.568   0.236  -1.087
  217    HG2  LYS  32           1HG      LYS  32   8.789   0.384  -0.405
  218    HG3  LYS  32           2HG      LYS  32   8.178   1.939   0.161
  219    HD2  LYS  32           1HD      LYS  32   9.144   1.213   2.113
  220    HD3  LYS  32           2HD      LYS  32   7.556   0.470   2.308
  221    HE2  LYS  32           1HE      LYS  32   9.122  -1.277   2.732
  222    HE3  LYS  32           2HE      LYS  32   8.529  -1.568   1.097
  223    HZ1  LYS  32           3HZ      LYS  32  10.773   0.199   1.144
  224    HZ2  LYS  32           1HZ      LYS  32  10.538  -1.223   0.250
  225    HZ3  LYS  32           2HZ      LYS  32  11.139  -1.308   1.837
  226    H    LYS  33           H        LYS  33   6.547   3.722   1.086
  227    HA   LYS  33           HA       LYS  33   5.615   5.307  -1.069
  228    HB2  LYS  33           1HB      LYS  33   7.543   6.859  -0.099
  229    HB3  LYS  33           2HB      LYS  33   6.006   6.632   0.738
  230    HG2  LYS  33           1HG      LYS  33   6.943   4.987   2.206
  231    HG3  LYS  33           2HG      LYS  33   8.416   4.874   1.246
  232    HD2  LYS  33           1HD      LYS  33   8.965   6.209   3.153
  233    HD3  LYS  33           2HD      LYS  33   8.805   7.335   1.805
  234    HE2  LYS  33           1HE      LYS  33   6.580   7.967   2.508
  235    HE3  LYS  33           2HE      LYS  33   6.549   6.699   3.733
  236    HZ1  LYS  33           3HZ      LYS  33   7.721   9.312   3.829
  237    HZ2  LYS  33           1HZ      LYS  33   8.814   8.097   4.286
  238    HZ3  LYS  33           2HZ      LYS  33   7.330   8.251   5.100
  239    H    TYR  34           H        TYR  34   6.563   5.977  -2.912
  240    HA   TYR  34           HA       TYR  34   9.351   5.442  -3.494
  241    HB2  TYR  34           2HB      TYR  34   8.976   3.997  -5.328
  242    HB3  TYR  34           1HB      TYR  34   8.067   3.323  -3.990
  243    HD1  TYR  34           1HD      TYR  34   7.855   3.638  -7.331
  244    HD2  TYR  34           2HD      TYR  34   5.558   4.816  -3.887
  245    HE1  TYR  34           1HE      TYR  34   5.808   3.787  -8.712
  246    HE2  TYR  34           2HE      TYR  34   3.549   4.951  -5.274
  247    HH   TYR  34           HH       TYR  34   3.080   5.379  -7.769
  248    H    LYS  35           H        LYS  35   9.917   6.250  -5.655
  249    HA   LYS  35           HA       LYS  35   9.703   8.785  -6.227
  250    HB2  LYS  35           1HB      LYS  35   9.335   8.196  -8.746
  251    HB3  LYS  35           2HB      LYS  35  10.796   7.660  -7.919
  252    HG2  LYS  35           1HG      LYS  35   8.459   5.849  -7.738
  253    HG3  LYS  35           2HG      LYS  35   9.196   5.998  -9.330
  254    HD2  LYS  35           1HD      LYS  35  10.964   5.569  -6.935
  255    HD3  LYS  35           2HD      LYS  35  10.107   4.195  -7.635
  256    HE2  LYS  35           1HE      LYS  35  11.076   4.722  -9.849
  257    HE3  LYS  35           2HE      LYS  35  11.959   6.072  -9.137
  258    HZ1  LYS  35           3HZ      LYS  35  12.435   3.215  -8.915
  259    HZ2  LYS  35           1HZ      LYS  35  12.680   4.124  -7.503
  260    HZ3  LYS  35           2HZ      LYS  35  13.537   4.508  -8.918
  261    HA   PRO  36           HA       PRO  36   5.090   9.074  -5.963
  262    HB2  PRO  36           2HB      PRO  36   5.878  11.884  -5.354
  263    HB3  PRO  36           1HB      PRO  36   4.757  10.818  -4.486
  264    HG2  PRO  36           2HG      PRO  36   7.153  11.380  -3.500
  265    HG3  PRO  36           1HG      PRO  36   6.451   9.761  -3.333
  266    HD2  PRO  36           2HD      PRO  36   8.582  10.710  -5.213
  267    HD3  PRO  36           1HD      PRO  36   8.450   9.168  -4.338
  268    H    TYR  37           H        TYR  37   3.600  10.097  -7.357
  269    HA   TYR  37           HA       TYR  37   4.820  11.281  -9.764
  270    HB2  TYR  37           2HB      TYR  37   2.145   9.944  -9.286
  271    HB3  TYR  37           1HB      TYR  37   2.596  10.723 -10.804
  272    HD1  TYR  37           1HD      TYR  37   3.654   8.087  -8.390
  273    HD2  TYR  37           2HD      TYR  37   3.931   9.595 -12.403
  274    HE1  TYR  37           1HE      TYR  37   4.854   6.035  -9.077
  275    HE2  TYR  37           2HE      TYR  37   5.137   7.540 -13.092
  276    HH   TYR  37           HH       TYR  37   5.866   5.540 -12.468
  277    H    VAL  38           H        VAL  38   4.189  13.261 -10.539
  278    HA   VAL  38           HA       VAL  38   2.235  14.781  -8.919
  279    HB   VAL  38           HB       VAL  38   4.771  15.927 -10.086
  280   HG11  VAL  38          1HG1      VAL  38   2.839  17.470  -9.725
  281   HG12  VAL  38          2HG1      VAL  38   4.200  17.838  -8.666
  282   HG13  VAL  38          3HG1      VAL  38   2.798  16.977  -8.032
  283   HG21  VAL  38          3HG2      VAL  38   5.575  14.513  -8.385
  284   HG22  VAL  38          1HG2      VAL  38   4.134  14.731  -7.394
  285   HG23  VAL  38          2HG2      VAL  38   5.317  16.033  -7.528
  286    HA   PRO  39           HA       PRO  39   1.257  14.988 -13.470
  287    HB2  PRO  39           2HB      PRO  39  -1.340  14.186 -13.277
  288    HB3  PRO  39           1HB      PRO  39   0.012  13.048 -13.427
  289    HG2  PRO  39           2HG      PRO  39  -1.537  13.842 -11.021
  290    HG3  PRO  39           1HG      PRO  39  -0.887  12.260 -11.476
  291    HD2  PRO  39           2HD      PRO  39   0.283  13.932  -9.642
  292    HD3  PRO  39           1HD      PRO  39   1.172  12.700 -10.564
  293    H    VAL  40           H        VAL  40  -0.211  16.460 -14.563
  294    HA   VAL  40           HA       VAL  40  -0.617  18.891 -13.144
  295    HB   VAL  40           HB       VAL  40  -1.579  17.956 -15.855
  296   HG11  VAL  40          1HG1      VAL  40  -3.045  19.693 -15.583
  297   HG12  VAL  40          2HG1      VAL  40  -1.627  20.662 -15.980
  298   HG13  VAL  40          3HG1      VAL  40  -2.092  20.430 -14.295
  299   HG21  VAL  40          3HG2      VAL  40   0.417  18.694 -16.643
  300   HG22  VAL  40          1HG2      VAL  40   0.957  18.608 -14.966
  301   HG23  VAL  40          2HG2      VAL  40   0.378  20.136 -15.629
  302    H    THR  41           H        THR  41  -2.295  19.555 -11.974
  303    HA   THR  41           HA       THR  41  -4.876  18.136 -12.256
  304    HB   THR  41           HB       THR  41  -3.598  19.152  -9.704
  305    HG1  THR  41           1HG      THR  41  -2.790  17.232  -9.692
  306   HG21  THR  41          3HG2      THR  41  -5.852  19.401  -9.260
  307   HG22  THR  41          1HG2      THR  41  -5.655  17.699  -8.851
  308   HG23  THR  41          2HG2      THR  41  -6.327  18.157 -10.415
  309    H    THR  42           H        THR  42  -6.594  19.390 -12.610
  310    HA   THR  42           HA       THR  42  -6.616  22.169 -11.722
  311    HB   THR  42           HB       THR  42  -7.359  21.818 -14.571
  312    HG1  THR  42           1HG      THR  42  -5.386  20.700 -14.432
  313   HG21  THR  42          3HG2      THR  42  -6.631  24.074 -14.716
  314   HG22  THR  42          1HG2      THR  42  -5.673  23.940 -13.242
  315   HG23  THR  42          2HG2      THR  42  -7.434  23.954 -13.151
  Start of MODEL    9
    1    HA   ASP   1           HA       ASP   1 -10.543   2.652   6.441
    2    HB2  ASP   1           1HB      ASP   1 -12.197   0.436   5.216
    3    HB3  ASP   1           2HB      ASP   1 -10.667   0.127   6.034
    4    H    CYS   2           H        CYS   2  -8.489   2.313   5.694
    5    HA   CYS   2           HA       CYS   2  -8.047   1.457   2.941
    6    HB2  CYS   2           2HB      CYS   2  -6.757   3.396   2.316
    7    HB3  CYS   2           1HB      CYS   2  -8.354   3.945   2.828
    8    H    ALA   3           H        ALA   3  -5.688   1.194   2.491
    9    HA   ALA   3           HA       ALA   3  -4.377   0.138   4.878
   10    HB1  ALA   3           3HB      ALA   3  -2.816  -0.166   2.491
   11    HB2  ALA   3           1HB      ALA   3  -4.485  -0.619   2.153
   12    HB3  ALA   3           2HB      ALA   3  -3.605  -1.409   3.459
   13    H    LYS   4           H        LYS   4  -3.064   1.413   5.998
   14    HA   LYS   4           HA       LYS   4  -1.993   3.862   4.940
   15    HB2  LYS   4           1HB      LYS   4  -2.564   2.982   7.460
   16    HB3  LYS   4           2HB      LYS   4  -0.818   2.774   7.421
   17    HG2  LYS   4           1HG      LYS   4  -1.021   4.980   8.158
   18    HG3  LYS   4           2HG      LYS   4  -0.821   5.204   6.422
   19    HD2  LYS   4           1HD      LYS   4  -3.291   5.315   6.167
   20    HD3  LYS   4           2HD      LYS   4  -3.465   5.127   7.911
   21    HE2  LYS   4           1HE      LYS   4  -2.137   7.200   8.244
   22    HE3  LYS   4           2HE      LYS   4  -2.049   7.401   6.494
   23    HZ1  LYS   4           3HZ      LYS   4  -4.135   8.121   8.241
   24    HZ2  LYS   4           1HZ      LYS   4  -4.715   6.970   7.139
   25    HZ3  LYS   4           2HZ      LYS   4  -4.003   8.404   6.571
   26    H    GLU   5           H        GLU   5   0.538   4.053   5.899
   27    HA   GLU   5           HA       GLU   5   2.067   2.744   3.909
   28    HB2  GLU   5           1HB      GLU   5   2.863   4.832   4.695
   29    HB3  GLU   5           2HB      GLU   5   2.834   4.298   6.375
   30    HG2  GLU   5           1HG      GLU   5   4.687   2.853   6.063
   31    HG3  GLU   5           2HG      GLU   5   4.555   2.918   4.310
   32    H    GLY   6           H        GLY   6   3.001   0.833   3.859
   33    HA2  GLY   6           1HA      GLY   6   4.057  -1.092   4.575
   34    HA3  GLY   6           2HA      GLY   6   3.950  -0.515   6.226
   35    H    GLU   7           H        GLU   7   0.933  -0.198   4.906
   36    HA   GLU   7           HA       GLU   7  -0.017  -2.538   6.347
   37    HB2  GLU   7           1HB      GLU   7  -1.551  -0.396   4.855
   38    HB3  GLU   7           2HB      GLU   7  -2.260  -1.646   5.872
   39    HG2  GLU   7           1HG      GLU   7  -0.206   0.351   6.854
   40    HG3  GLU   7           2HG      GLU   7  -1.942   0.557   7.052
   41    H    VAL   8           H        VAL   8  -1.357  -4.150   5.421
   42    HA   VAL   8           HA       VAL   8  -0.400  -5.175   2.986
   43    HB   VAL   8           HB       VAL   8  -2.871  -5.841   4.595
   44   HG11  VAL   8          1HG1      VAL   8  -1.729  -7.048   2.080
   45   HG12  VAL   8          2HG1      VAL   8  -3.406  -6.639   2.444
   46   HG13  VAL   8          3HG1      VAL   8  -2.650  -8.032   3.218
   47   HG21  VAL   8          3HG2      VAL   8  -1.535  -7.750   5.335
   48   HG22  VAL   8          1HG2      VAL   8  -0.639  -6.264   5.645
   49   HG23  VAL   8          2HG2      VAL   8  -0.217  -7.278   4.265
   50    H    CYS   9           H        CYS   9  -1.064  -4.978   0.898
   51    HA   CYS   9           HA       CYS   9  -3.648  -3.635   0.391
   52    HB2  CYS   9           2HB      CYS   9  -2.665  -2.100  -1.189
   53    HB3  CYS   9           1HB      CYS   9  -1.799  -1.933   0.336
   54    H    SER  10           H        SER  10  -4.276  -3.829  -1.939
   55    HA   SER  10           HA       SER  10  -4.514  -5.008  -3.915
   56    HB2  SER  10           1HB      SER  10  -1.850  -5.208  -3.510
   57    HB3  SER  10           2HB      SER  10  -2.309  -6.900  -3.395
   58    HG   SER  10           HG       SER  10  -1.875  -6.266  -5.551
   59    H    TRP  11           H        TRP  11  -3.837  -6.697  -0.920
   60    HA   TRP  11           HA       TRP  11  -5.015  -9.188  -1.677
   61    HB2  TRP  11           2HB      TRP  11  -3.708  -8.105   0.611
   62    HB3  TRP  11           1HB      TRP  11  -5.239  -8.781   1.143
   63    HD1  TRP  11           1HD      TRP  11  -1.873  -9.842   0.839
   64    HE1  TRP  11           1HE      TRP  11  -1.660 -12.378   0.406
   65    HE3  TRP  11           3HE      TRP  11  -6.644 -10.874  -0.608
   66    HZ2  TRP  11           2HZ      TRP  11  -3.313 -14.560  -0.445
   67    HZ3  TRP  11           3HZ      TRP  11  -7.307 -13.187  -1.226
   68    HH2  TRP  11           2HH      TRP  11  -5.647 -15.028  -1.146
   69    H    GLY  12           H        GLY  12  -6.577  -6.725  -2.236
   70    HA2  GLY  12           1HA      GLY  12  -8.978  -6.780  -2.487
   71    HA3  GLY  12           2HA      GLY  12  -9.085  -7.571  -0.920
   72    H    LYS  13           H        LYS  13  -6.757  -5.253  -0.652
   73    HA   LYS  13           HA       LYS  13  -8.685  -3.207   0.280
   74    HB2  LYS  13           1HB      LYS  13  -6.028  -3.999   1.503
   75    HB3  LYS  13           2HB      LYS  13  -7.019  -2.636   2.023
   76    HG2  LYS  13           1HG      LYS  13  -8.824  -4.089   2.671
   77    HG3  LYS  13           2HG      LYS  13  -8.050  -5.481   1.918
   78    HD2  LYS  13           1HD      LYS  13  -7.663  -5.660   4.288
   79    HD3  LYS  13           2HD      LYS  13  -6.136  -5.182   3.548
   80    HE2  LYS  13           1HE      LYS  13  -6.447  -2.882   4.225
   81    HE3  LYS  13           2HE      LYS  13  -8.093  -3.212   4.767
   82    HZ1  LYS  13           3HZ      LYS  13  -6.602  -5.032   6.111
   83    HZ2  LYS  13           1HZ      LYS  13  -7.159  -3.560   6.743
   84    HZ3  LYS  13           2HZ      LYS  13  -5.592  -3.667   6.097
   85    H    LYS  14           H        LYS  14  -8.197  -1.075  -0.123
   86    HA   LYS  14           HA       LYS  14  -6.089  -0.627  -2.140
   87    HB2  LYS  14           1HB      LYS  14  -8.543   0.986  -1.398
   88    HB3  LYS  14           2HB      LYS  14  -7.342   1.489  -2.589
   89    HG2  LYS  14           1HG      LYS  14  -7.775  -0.542  -3.907
   90    HG3  LYS  14           2HG      LYS  14  -8.960  -1.073  -2.713
   91    HD2  LYS  14           1HD      LYS  14 -10.339   0.904  -3.161
   92    HD3  LYS  14           2HD      LYS  14  -9.139   1.501  -4.308
   93    HE2  LYS  14           1HE      LYS  14 -10.975   0.378  -5.498
   94    HE3  LYS  14           2HE      LYS  14  -9.472  -0.523  -5.698
   95    HZ1  LYS  14           3HZ      LYS  14 -11.907  -1.342  -4.490
   96    HZ2  LYS  14           1HZ      LYS  14 -10.622  -1.497  -3.395
   97    HZ3  LYS  14           2HZ      LYS  14 -10.548  -2.272  -4.906
   98    H    CYS  15           H        CYS  15  -4.409   0.650  -1.758
   99    HA   CYS  15           HA       CYS  15  -3.823   1.468   0.914
  100    HB2  CYS  15           2HB      CYS  15  -2.225   0.746  -1.003
  101    HB3  CYS  15           1HB      CYS  15  -2.359   2.419  -1.532
  102    H    CYS  16           H        CYS  16  -4.259   3.359   1.881
  103    HA   CYS  16           HA       CYS  16  -6.061   5.211   1.083
  104    HB2  CYS  16           2HB      CYS  16  -4.079   5.064   3.119
  105    HB3  CYS  16           1HB      CYS  16  -4.027   6.686   2.427
  106    H    ASP  17           H        ASP  17  -2.661   5.172   0.197
  107    HA   ASP  17           HA       ASP  17  -3.255   7.202  -1.862
  108    HB2  ASP  17           1HB      ASP  17  -0.982   7.200   0.114
  109    HB3  ASP  17           2HB      ASP  17  -0.873   8.062  -1.419
  110    H    LEU  18           H        LEU  18  -3.376   5.471  -3.356
  111    HA   LEU  18           HA       LEU  18  -1.246   3.613  -3.738
  112    HB2  LEU  18           1HB      LEU  18  -3.584   4.471  -5.444
  113    HB3  LEU  18           2HB      LEU  18  -2.416   3.272  -5.993
  114    HG   LEU  18           HG       LEU  18  -3.779   2.994  -3.311
  115   HD11  LEU  18          1HD1      LEU  18  -4.782   2.040  -6.013
  116   HD12  LEU  18          2HD1      LEU  18  -5.576   3.213  -4.961
  117   HD13  LEU  18          3HD1      LEU  18  -5.438   1.529  -4.458
  118   HD21  LEU  18          3HD2      LEU  18  -2.765   0.954  -3.281
  119   HD22  LEU  18          1HD2      LEU  18  -1.764   1.556  -4.601
  120   HD23  LEU  18          2HD2      LEU  18  -3.215   0.627  -4.950
  121    H    ASP  19           H        ASP  19  -1.757   6.881  -4.674
  122    HA   ASP  19           HA       ASP  19  -0.037   6.885  -6.973
  123    HB2  ASP  19           1HB      ASP  19  -1.123   9.096  -5.218
  124    HB3  ASP  19           2HB      ASP  19  -0.141   9.384  -6.653
  125    H    ASN  20           H        ASN  20   0.358   7.543  -3.526
  126    HA   ASN  20           HA       ASN  20   3.173   8.252  -3.936
  127    HB2  ASN  20           1HB      ASN  20   1.470   8.247  -1.448
  128    HB3  ASN  20           2HB      ASN  20   3.137   8.783  -1.521
  129   HD21  ASN  20          1HD2      ASN  20   0.406  11.472  -2.185
  130   HD22  ASN  20          2HD2      ASN  20   0.285  10.119  -1.180
  131    H    PHE  21           H        PHE  21   1.197   5.616  -2.940
  132    HA   PHE  21           HA       PHE  21   3.608   4.133  -2.105
  133    HB2  PHE  21           2HB      PHE  21   0.755   3.837  -1.149
  134    HB3  PHE  21           1HB      PHE  21   2.054   2.715  -0.753
  135    HD1  PHE  21           1HD      PHE  21   1.042   6.293  -0.516
  136    HD2  PHE  21           2HD      PHE  21   3.579   3.188   1.000
  137    HE1  PHE  21           1HE      PHE  21   1.728   7.768   1.349
  138    HE2  PHE  21           2HE      PHE  21   4.277   4.671   2.854
  139    HZ   PHE  21           HZ       PHE  21   3.353   6.958   3.033
  140    H    TYR  22           H        TYR  22   3.650   1.871  -2.645
  141    HA   TYR  22           HA       TYR  22   1.853   1.116  -4.866
  142    HB2  TYR  22           2HB      TYR  22   3.694   0.268  -6.131
  143    HB3  TYR  22           1HB      TYR  22   4.149   1.881  -5.632
  144    HD1  TYR  22           1HD      TYR  22   4.590  -1.731  -4.797
  145    HD2  TYR  22           2HD      TYR  22   5.995   2.271  -4.267
  146    HE1  TYR  22           1HE      TYR  22   6.654  -2.576  -3.845
  147    HE2  TYR  22           2HE      TYR  22   8.051   1.419  -3.259
  148    HH   TYR  22           HH       TYR  22   9.292  -0.396  -2.844
  149    H    CYS  23           H        CYS  23   1.808  -1.230  -5.261
  150    HA   CYS  23           HA       CYS  23   1.965  -2.693  -2.730
  151    HB2  CYS  23           2HB      CYS  23   0.368  -3.140  -5.236
  152    HB3  CYS  23           1HB      CYS  23   0.477  -4.330  -3.943
  153    HA   PRO  24           HA       PRO  24   5.705  -4.587  -4.615
  154    HB2  PRO  24           2HB      PRO  24   5.374  -6.287  -2.193
  155    HB3  PRO  24           1HB      PRO  24   6.811  -5.453  -2.789
  156    HG2  PRO  24           2HG      PRO  24   5.454  -4.560  -0.706
  157    HG3  PRO  24           1HG      PRO  24   6.224  -3.474  -1.843
  158    HD2  PRO  24           2HD      PRO  24   3.346  -4.105  -1.495
  159    HD3  PRO  24           1HD      PRO  24   4.122  -2.621  -2.061
  160    H    MET  25           H        MET  25   6.146  -6.579  -5.592
  161    HA   MET  25           HA       MET  25   3.794  -8.213  -6.157
  162    HB2  MET  25           1HB      MET  25   6.607  -8.211  -7.275
  163    HB3  MET  25           2HB      MET  25   5.354  -9.345  -7.783
  164    HG2  MET  25           1HG      MET  25   3.898  -7.355  -8.334
  165    HG3  MET  25           2HG      MET  25   5.295  -6.326  -8.029
  166    HE1  MET  25           3HE      MET  25   7.828  -7.906  -9.245
  167    HE2  MET  25           1HE      MET  25   7.320  -6.215  -9.181
  168    HE3  MET  25           2HE      MET  25   7.762  -6.947 -10.720
  169    H    GLU  26           H        GLU  26   3.587  -9.170  -4.037
  170    HA   GLU  26           HA       GLU  26   5.167 -11.592  -3.781
  171    HB2  GLU  26           1HB      GLU  26   5.728 -11.178  -1.426
  172    HB3  GLU  26           2HB      GLU  26   6.463  -9.960  -2.470
  173    HG2  GLU  26           1HG      GLU  26   4.531  -8.447  -1.985
  174    HG3  GLU  26           2HG      GLU  26   3.921  -9.645  -0.847
  175    H    PHE  27           H        PHE  27   4.332 -12.703  -1.620
  176    HA   PHE  27           HA       PHE  27   1.649 -13.396  -2.057
  177    HB2  PHE  27           2HB      PHE  27   3.237 -14.875  -0.899
  178    HB3  PHE  27           1HB      PHE  27   3.299 -13.750   0.458
  179    HD1  PHE  27           1HD      PHE  27   0.884 -15.742  -1.586
  180    HD2  PHE  27           2HD      PHE  27   1.756 -13.959   2.223
  181    HE1  PHE  27           1HE      PHE  27  -1.144 -16.800  -0.629
  182    HE2  PHE  27           2HE      PHE  27  -0.276 -15.011   3.180
  183    HZ   PHE  27           HZ       PHE  27  -1.727 -16.432   1.753
  184    H    ILE  28           H        ILE  28   3.108 -11.279   0.399
  185    HA   ILE  28           HA       ILE  28   0.435 -10.118   0.873
  186    HB   ILE  28           HB       ILE  28   1.378  -9.635   3.220
  187   HG12  ILE  28          1HG1      ILE  28   3.124 -12.000   2.491
  188   HG13  ILE  28          2HG1      ILE  28   3.721 -10.341   2.524
  189   HG21  ILE  28          1HG2      ILE  28   0.294 -12.140   2.065
  190   HG22  ILE  28          2HG2      ILE  28  -0.326 -11.147   3.384
  191   HG23  ILE  28          3HG2      ILE  28   0.984 -12.287   3.682
  192   HD11  ILE  28          3HD1      ILE  28   2.517 -11.873   4.848
  193   HD12  ILE  28          1HD1      ILE  28   2.963 -10.168   4.904
  194   HD13  ILE  28          2HD1      ILE  28   4.205 -11.397   4.666
  195    HA   PRO  29           HA       PRO  29   3.295  -6.802  -0.741
  196    HB2  PRO  29           2HB      PRO  29   0.618  -5.746  -1.488
  197    HB3  PRO  29           1HB      PRO  29   2.098  -5.835  -2.456
  198    HG2  PRO  29           2HG      PRO  29   0.067  -7.482  -2.894
  199    HG3  PRO  29           1HG      PRO  29   1.743  -8.059  -3.008
  200    HD2  PRO  29           2HD      PRO  29  -0.259  -8.490  -0.814
  201    HD3  PRO  29           1HD      PRO  29   0.969  -9.604  -1.453
  202    H    HIS  30           H        HIS  30   3.660  -4.768   0.144
  203    HA   HIS  30           HA       HIS  30   1.680  -3.815   2.132
  204    HB2  HIS  30           1HB      HIS  30   4.684  -3.849   2.470
  205    HB3  HIS  30           2HB      HIS  30   3.541  -3.104   3.574
  206    HD1  HIS  30           HD1      HIS  30   4.881  -6.415   2.512
  207    HD2  HIS  30           HD2      HIS  30   1.890  -4.952   5.020
  208    HE1  HIS  30           HE1      HIS  30   4.132  -8.364   3.945
  209    H    CYS  31           H        CYS  31   1.539  -1.574   2.385
  210    HA   CYS  31           HA       CYS  31   2.000  -0.045   0.034
  211    HB2  CYS  31           2HB      CYS  31   1.257   0.699   2.853
  212    HB3  CYS  31           1HB      CYS  31   1.415   1.903   1.586
  213    H    LYS  32           H        LYS  32   3.910   0.692  -0.672
  214    HA   LYS  32           HA       LYS  32   5.885   1.622   1.349
  215    HB2  LYS  32           1HB      LYS  32   6.458   0.295  -1.291
  216    HB3  LYS  32           2HB      LYS  32   7.672   0.905  -0.184
  217    HG2  LYS  32           1HG      LYS  32   5.692  -1.302   0.392
  218    HG3  LYS  32           2HG      LYS  32   7.388  -1.536   0.008
  219    HD2  LYS  32           1HD      LYS  32   7.848   0.058   2.017
  220    HD3  LYS  32           2HD      LYS  32   6.187  -0.309   2.489
  221    HE2  LYS  32           1HE      LYS  32   6.700  -2.705   2.495
  222    HE3  LYS  32           2HE      LYS  32   8.355  -2.363   2.006
  223    HZ1  LYS  32           3HZ      LYS  32   7.487  -0.876   4.314
  224    HZ2  LYS  32           1HZ      LYS  32   8.916  -1.757   4.064
  225    HZ3  LYS  32           2HZ      LYS  32   7.502  -2.559   4.555
  226    H    LYS  33           H        LYS  33   6.443   3.695   1.171
  227    HA   LYS  33           HA       LYS  33   5.368   5.340  -0.883
  228    HB2  LYS  33           1HB      LYS  33   5.814   6.128   1.427
  229    HB3  LYS  33           2HB      LYS  33   7.542   6.013   1.103
  230    HG2  LYS  33           1HG      LYS  33   7.418   7.688  -0.613
  231    HG3  LYS  33           2HG      LYS  33   5.653   7.660  -0.593
  232    HD2  LYS  33           1HD      LYS  33   6.875   8.210   2.033
  233    HD3  LYS  33           2HD      LYS  33   7.192   9.448   0.816
  234    HE2  LYS  33           1HE      LYS  33   4.821   9.709   0.381
  235    HE3  LYS  33           2HE      LYS  33   4.435   8.353   1.435
  236    HZ1  LYS  33           3HZ      LYS  33   6.030  10.256   2.799
  237    HZ2  LYS  33           1HZ      LYS  33   4.483   9.682   3.192
  238    HZ3  LYS  33           2HZ      LYS  33   4.653  11.009   2.146
  239    H    TYR  34           H        TYR  34   6.142   5.928  -2.776
  240    HA   TYR  34           HA       TYR  34   8.999   5.796  -3.340
  241    HB2  TYR  34           2HB      TYR  34   8.808   4.343  -5.155
  242    HB3  TYR  34           1HB      TYR  34   7.829   3.615  -3.910
  243    HD1  TYR  34           1HD      TYR  34   7.887   4.108  -7.277
  244    HD2  TYR  34           2HD      TYR  34   5.283   4.820  -3.932
  245    HE1  TYR  34           1HE      TYR  34   5.926   4.117  -8.785
  246    HE2  TYR  34           2HE      TYR  34   3.339   4.826  -5.438
  247    HH   TYR  34           HH       TYR  34   2.809   5.175  -7.769
  248    H    LYS  35           H        LYS  35   6.063   7.323  -3.549
  249    HA   LYS  35           HA       LYS  35   7.071   9.111  -5.674
  250    HB2  LYS  35           1HB      LYS  35   4.627   7.596  -5.621
  251    HB3  LYS  35           2HB      LYS  35   4.267   9.318  -5.685
  252    HG2  LYS  35           1HG      LYS  35   4.510   8.414  -7.934
  253    HG3  LYS  35           2HG      LYS  35   5.796   9.569  -7.600
  254    HD2  LYS  35           1HD      LYS  35   7.428   7.954  -7.610
  255    HD3  LYS  35           2HD      LYS  35   6.363   6.730  -6.923
  256    HE2  LYS  35           1HE      LYS  35   6.297   7.748  -9.783
  257    HE3  LYS  35           2HE      LYS  35   6.937   6.192  -9.262
  258    HZ1  LYS  35           3HZ      LYS  35   4.897   5.401  -9.519
  259    HZ2  LYS  35           1HZ      LYS  35   4.246   6.950  -9.762
  260    HZ3  LYS  35           2HZ      LYS  35   4.414   6.339  -8.187
  261    HA   PRO  36           HA       PRO  36   6.158  11.559  -1.841
  262    HB2  PRO  36           2HB      PRO  36   8.638  12.598  -1.469
  263    HB3  PRO  36           1HB      PRO  36   8.180  10.995  -0.855
  264    HG2  PRO  36           2HG      PRO  36   9.789  11.721  -3.244
  265    HG3  PRO  36           1HG      PRO  36   9.976  10.367  -2.118
  266    HD2  PRO  36           2HD      PRO  36   8.794  10.178  -4.620
  267    HD3  PRO  36           1HD      PRO  36   8.532   9.033  -3.290
  268    H    TYR  37           H        TYR  37   6.683  14.003  -1.541
  269    HA   TYR  37           HA       TYR  37   6.441  15.318  -4.179
  270    HB2  TYR  37           2HB      TYR  37   5.411  16.097  -1.445
  271    HB3  TYR  37           1HB      TYR  37   5.274  17.108  -2.885
  272    HD1  TYR  37           1HD      TYR  37   4.345  13.816  -1.429
  273    HD2  TYR  37           2HD      TYR  37   3.624  16.675  -4.553
  274    HE1  TYR  37           1HE      TYR  37   2.315  12.567  -2.107
  275    HE2  TYR  37           2HE      TYR  37   1.601  15.416  -5.240
  276    HH   TYR  37           HH       TYR  37  -0.065  13.725  -3.838
  277    H    VAL  38           H        VAL  38   7.757  17.043  -4.673
  278    HA   VAL  38           HA       VAL  38  10.237  17.206  -3.348
  279    HB   VAL  38           HB       VAL  38   9.018  19.155  -5.307
  280   HG11  VAL  38          1HG1      VAL  38  11.440  19.607  -5.805
  281   HG12  VAL  38          2HG1      VAL  38  11.861  18.611  -4.413
  282   HG13  VAL  38          3HG1      VAL  38  10.947  20.101  -4.185
  283   HG21  VAL  38          3HG2      VAL  38  10.975  17.449  -6.475
  284   HG22  VAL  38          1HG2      VAL  38   9.251  17.515  -6.838
  285   HG23  VAL  38          2HG2      VAL  38   9.851  16.415  -5.595
  286    HA   PRO  39           HA       PRO  39   8.782  20.143  -0.221
  287    HB2  PRO  39           2HB      PRO  39  11.068  20.367   1.220
  288    HB3  PRO  39           1HB      PRO  39  10.021  18.936   1.309
  289    HG2  PRO  39           2HG      PRO  39  12.569  19.328  -0.178
  290    HG3  PRO  39           1HG      PRO  39  11.988  17.913   0.716
  291    HD2  PRO  39           2HD      PRO  39  11.865  18.149  -2.021
  292    HD3  PRO  39           1HD      PRO  39  10.766  17.122  -1.061
  293    H    VAL  40           H        VAL  40   9.304  22.344   0.494
  294    HA   VAL  40           HA       VAL  40  11.077  23.804  -1.371
  295    HB   VAL  40           HB       VAL  40   9.430  25.659  -1.338
  296   HG11  VAL  40          1HG1      VAL  40   7.596  23.666  -2.285
  297   HG12  VAL  40          2HG1      VAL  40   9.238  23.152  -2.679
  298   HG13  VAL  40          3HG1      VAL  40   8.649  24.721  -3.227
  299   HG21  VAL  40          3HG2      VAL  40   8.318  25.206   0.772
  300   HG22  VAL  40          1HG2      VAL  40   7.788  23.623   0.203
  301   HG23  VAL  40          2HG2      VAL  40   7.118  25.088  -0.514
  302    H    THR  41           H        THR  41  11.926  25.808  -0.547
  303    HA   THR  41           HA       THR  41  12.819  25.626   2.142
  304    HB   THR  41           HB       THR  41  14.059  26.740   0.264
  305    HG1  THR  41           1HG      THR  41  14.712  27.190   2.327
  306   HG21  THR  41          3HG2      THR  41  11.914  27.948  -0.505
  307   HG22  THR  41          1HG2      THR  41  13.415  28.874  -0.526
  308   HG23  THR  41          2HG2      THR  41  12.256  29.101   0.784
  309    H    THR  42           H        THR  42  10.235  27.409   0.560
  310    HA   THR  42           HA       THR  42   9.609  28.931   2.956
  311    HB   THR  42           HB       THR  42   7.624  28.870   0.785
  312    HG1  THR  42           1HG      THR  42   9.355  30.349  -0.293
  313   HG21  THR  42          3HG2      THR  42   7.624  31.217   1.157
  314   HG22  THR  42          1HG2      THR  42   9.230  31.179   1.885
  315   HG23  THR  42          2HG2      THR  42   7.852  30.499   2.752
  Start of MODEL   10
    1    HA   ASP   1           HA       ASP   1 -12.079   2.778   5.423
    2    HB2  ASP   1           1HB      ASP   1 -10.327   5.184   5.520
    3    HB3  ASP   1           2HB      ASP   1 -12.071   5.075   5.293
    4    H    CYS   2           H        CYS   2  -8.593   2.988   5.731
    5    HA   CYS   2           HA       CYS   2  -8.263   1.895   3.055
    6    HB2  CYS   2           2HB      CYS   2  -6.710   3.664   2.344
    7    HB3  CYS   2           1HB      CYS   2  -8.331   4.303   2.604
    8    H    ALA   3           H        ALA   3  -5.966   1.340   2.609
    9    HA   ALA   3           HA       ALA   3  -4.743   0.274   5.012
   10    HB1  ALA   3           3HB      ALA   3  -4.753  -0.371   2.231
   11    HB2  ALA   3           1HB      ALA   3  -4.073  -1.299   3.567
   12    HB3  ALA   3           2HB      ALA   3  -3.082  -0.103   2.729
   13    H    LYS   4           H        LYS   4  -3.101   1.153   6.101
   14    HA   LYS   4           HA       LYS   4  -1.955   3.667   5.175
   15    HB2  LYS   4           1HB      LYS   4  -1.597   2.120   7.756
   16    HB3  LYS   4           2HB      LYS   4  -0.882   3.695   7.422
   17    HG2  LYS   4           1HG      LYS   4  -3.137   4.649   7.089
   18    HG3  LYS   4           2HG      LYS   4  -3.850   3.072   7.440
   19    HD2  LYS   4           1HD      LYS   4  -2.830   3.108   9.689
   20    HD3  LYS   4           2HD      LYS   4  -2.121   4.686   9.341
   21    HE2  LYS   4           1HE      LYS   4  -4.373   5.638   9.031
   22    HE3  LYS   4           2HE      LYS   4  -5.089   4.062   9.367
   23    HZ1  LYS   4           3HZ      LYS   4  -4.122   4.104  11.562
   24    HZ2  LYS   4           1HZ      LYS   4  -5.064   5.495  11.325
   25    HZ3  LYS   4           2HZ      LYS   4  -3.370   5.595  11.242
   26    H    GLU   5           H        GLU   5   0.530   3.834   5.900
   27    HA   GLU   5           HA       GLU   5   1.990   2.342   4.023
   28    HB2  GLU   5           1HB      GLU   5   2.734   4.521   4.909
   29    HB3  GLU   5           2HB      GLU   5   3.029   3.775   6.478
   30    HG2  GLU   5           1HG      GLU   5   4.710   2.298   5.515
   31    HG3  GLU   5           2HG      GLU   5   4.362   2.901   3.897
   32    H    GLY   6           H        GLY   6   2.964   0.438   4.070
   33    HA2  GLY   6           1HA      GLY   6   4.044  -1.426   4.949
   34    HA3  GLY   6           2HA      GLY   6   3.659  -0.879   6.562
   35    H    GLU   7           H        GLU   7   0.801  -0.570   5.050
   36    HA   GLU   7           HA       GLU   7  -0.107  -3.148   6.099
   37    HB2  GLU   7           1HB      GLU   7  -1.703  -0.798   5.050
   38    HB3  GLU   7           2HB      GLU   7  -2.371  -2.241   5.814
   39    HG2  GLU   7           1HG      GLU   7  -0.992  -1.733   7.848
   40    HG3  GLU   7           2HG      GLU   7  -0.509  -0.219   7.087
   41    H    VAL   8           H        VAL   8  -1.289  -4.645   4.892
   42    HA   VAL   8           HA       VAL   8  -0.397  -4.991   2.236
   43    HB   VAL   8           HB       VAL   8  -2.593  -6.381   3.766
   44   HG11  VAL   8          1HG1      VAL   8  -3.182  -7.151   1.711
   45   HG12  VAL   8          2HG1      VAL   8  -1.709  -8.115   1.821
   46   HG13  VAL   8          3HG1      VAL   8  -1.692  -6.575   0.966
   47   HG21  VAL   8          3HG2      VAL   8  -0.880  -8.165   3.977
   48   HG22  VAL   8          1HG2      VAL   8  -0.337  -6.658   4.714
   49   HG23  VAL   8          2HG2      VAL   8   0.278  -7.139   3.134
   50    H    CYS   9           H        CYS   9  -1.238  -4.479   0.302
   51    HA   CYS   9           HA       CYS   9  -4.003  -3.404   0.279
   52    HB2  CYS   9           2HB      CYS   9  -3.407  -1.373  -0.506
   53    HB3  CYS   9           1HB      CYS   9  -1.839  -1.745   0.196
   54    H    SER  10           H        SER  10  -4.216  -2.780  -2.376
   55    HA   SER  10           HA       SER  10  -4.617  -3.681  -4.438
   56    HB2  SER  10           1HB      SER  10  -2.133  -3.868  -4.473
   57    HB3  SER  10           2HB      SER  10  -2.272  -5.504  -3.851
   58    HG   SER  10           HG       SER  10  -3.551  -4.558  -6.201
   59    H    TRP  11           H        TRP  11  -3.370  -6.821  -3.668
   60    HA   TRP  11           HA       TRP  11  -5.754  -8.133  -4.297
   61    HB2  TRP  11           2HB      TRP  11  -4.703 -10.134  -3.599
   62    HB3  TRP  11           1HB      TRP  11  -3.385  -9.112  -4.172
   63    HD1  TRP  11           1HD      TRP  11  -1.735  -8.083  -2.339
   64    HE1  TRP  11           1HE      TRP  11  -1.289  -8.716   0.117
   65    HE3  TRP  11           3HE      TRP  11  -5.786 -11.037  -1.464
   66    HZ2  TRP  11           2HZ      TRP  11  -2.500 -10.288   2.188
   67    HZ3  TRP  11           3HZ      TRP  11  -6.125 -12.097   0.750
   68    HH2  TRP  11           2HH      TRP  11  -4.486 -11.727   2.576
   69    H    GLY  12           H        GLY  12  -4.572  -6.814  -1.283
   70    HA2  GLY  12           1HA      GLY  12  -6.740  -8.081   0.244
   71    HA3  GLY  12           2HA      GLY  12  -5.407  -7.147   0.911
   72    H    LYS  13           H        LYS  13  -5.443  -4.815   0.598
   73    HA   LYS  13           HA       LYS  13  -8.182  -3.737   0.294
   74    HB2  LYS  13           1HB      LYS  13  -6.047  -3.009   2.307
   75    HB3  LYS  13           2HB      LYS  13  -7.488  -2.036   2.020
   76    HG2  LYS  13           1HG      LYS  13  -8.913  -3.980   2.578
   77    HG3  LYS  13           2HG      LYS  13  -7.468  -4.947   2.876
   78    HD2  LYS  13           1HD      LYS  13  -6.796  -3.400   4.677
   79    HD3  LYS  13           2HD      LYS  13  -8.235  -2.425   4.378
   80    HE2  LYS  13           1HE      LYS  13  -9.665  -4.358   4.933
   81    HE3  LYS  13           2HE      LYS  13  -8.231  -5.340   5.222
   82    HZ1  LYS  13           3HZ      LYS  13  -8.134  -4.552   7.272
   83    HZ2  LYS  13           1HZ      LYS  13  -9.532  -3.629   7.003
   84    HZ3  LYS  13           2HZ      LYS  13  -8.001  -2.961   6.687
   85    H    LYS  14           H        LYS  14  -7.826  -1.126   0.314
   86    HA   LYS  14           HA       LYS  14  -6.018  -0.618  -1.973
   87    HB2  LYS  14           1HB      LYS  14  -8.499   0.850  -1.039
   88    HB3  LYS  14           2HB      LYS  14  -7.480   1.351  -2.388
   89    HG2  LYS  14           1HG      LYS  14  -7.912  -0.790  -3.525
   90    HG3  LYS  14           2HG      LYS  14  -8.923  -1.307  -2.176
   91    HD2  LYS  14           1HD      LYS  14 -10.445   0.591  -2.585
   92    HD3  LYS  14           2HD      LYS  14  -9.436   1.107  -3.938
   93    HE2  LYS  14           1HE      LYS  14  -9.859  -1.035  -5.080
   94    HE3  LYS  14           2HE      LYS  14 -10.857  -1.565  -3.726
   95    HZ1  LYS  14           3HZ      LYS  14 -11.657   0.998  -4.663
   96    HZ2  LYS  14           1HZ      LYS  14 -12.575  -0.420  -4.499
   97    HZ3  LYS  14           2HZ      LYS  14 -11.688  -0.142  -5.923
   98    H    CYS  15           H        CYS  15  -4.326   0.611  -1.691
   99    HA   CYS  15           HA       CYS  15  -3.606   1.618   0.854
  100    HB2  CYS  15           2HB      CYS  15  -2.188   0.943  -1.279
  101    HB3  CYS  15           1HB      CYS  15  -2.347   2.658  -1.634
  102    H    CYS  16           H        CYS  16  -3.914   3.561   1.761
  103    HA   CYS  16           HA       CYS  16  -5.890   5.308   0.947
  104    HB2  CYS  16           2HB      CYS  16  -4.191   5.062   3.120
  105    HB3  CYS  16           1HB      CYS  16  -3.780   6.640   2.450
  106    H    ASP  17           H        ASP  17  -2.572   5.168  -0.063
  107    HA   ASP  17           HA       ASP  17  -3.096   7.378  -1.936
  108    HB2  ASP  17           1HB      ASP  17  -0.805   7.177   0.009
  109    HB3  ASP  17           2HB      ASP  17  -0.664   8.109  -1.481
  110    H    LEU  18           H        LEU  18  -3.373   5.464  -3.326
  111    HA   LEU  18           HA       LEU  18  -1.264   3.669  -3.904
  112    HB2  LEU  18           1HB      LEU  18  -3.670   4.568  -5.498
  113    HB3  LEU  18           2HB      LEU  18  -2.563   3.323  -6.064
  114    HG   LEU  18           HG       LEU  18  -3.864   3.141  -3.337
  115   HD11  LEU  18          1HD1      LEU  18  -4.934   2.069  -5.967
  116   HD12  LEU  18          2HD1      LEU  18  -5.656   3.374  -5.024
  117   HD13  LEU  18          3HD1      LEU  18  -5.608   1.736  -4.371
  118   HD21  LEU  18          3HD2      LEU  18  -2.060   1.557  -3.644
  119   HD22  LEU  18          1HD2      LEU  18  -2.603   1.164  -5.272
  120   HD23  LEU  18          2HD2      LEU  18  -3.553   0.661  -3.878
  121    H    ASP  19           H        ASP  19  -1.797   6.949  -4.770
  122    HA   ASP  19           HA       ASP  19  -0.250   6.963  -7.185
  123    HB2  ASP  19           1HB      ASP  19  -1.171   9.150  -5.313
  124    HB3  ASP  19           2HB      ASP  19  -0.264   9.465  -6.791
  125    H    ASN  20           H        ASN  20   0.433   7.606  -3.768
  126    HA   ASN  20           HA       ASN  20   3.264   8.092  -4.443
  127    HB2  ASN  20           1HB      ASN  20   1.770   8.525  -1.848
  128    HB3  ASN  20           2HB      ASN  20   3.456   8.917  -2.126
  129   HD21  ASN  20          1HD2      ASN  20   0.842  11.706  -2.888
  130   HD22  ASN  20          2HD2      ASN  20   0.714  10.480  -1.730
  131    H    PHE  21           H        PHE  21   1.152   5.719  -3.168
  132    HA   PHE  21           HA       PHE  21   3.476   4.188  -2.180
  133    HB2  PHE  21           2HB      PHE  21   0.602   4.073  -1.262
  134    HB3  PHE  21           1HB      PHE  21   1.843   2.928  -0.775
  135    HD1  PHE  21           1HD      PHE  21   1.224   6.615  -0.938
  136    HD2  PHE  21           2HD      PHE  21   3.137   3.375   1.126
  137    HE1  PHE  21           1HE      PHE  21   1.940   8.180   0.843
  138    HE2  PHE  21           2HE      PHE  21   3.866   4.946   2.902
  139    HZ   PHE  21           HZ       PHE  21   3.265   7.344   2.762
  140    H    TYR  22           H        TYR  22   3.580   1.978  -2.672
  141    HA   TYR  22           HA       TYR  22   1.772   1.095  -4.841
  142    HB2  TYR  22           2HB      TYR  22   3.608   0.233  -6.071
  143    HB3  TYR  22           1HB      TYR  22   4.091   1.846  -5.588
  144    HD1  TYR  22           1HD      TYR  22   4.625  -1.776  -4.983
  145    HD2  TYR  22           2HD      TYR  22   5.781   2.222  -3.959
  146    HE1  TYR  22           1HE      TYR  22   6.687  -2.609  -3.995
  147    HE2  TYR  22           2HE      TYR  22   7.831   1.379  -2.947
  148    HH   TYR  22           HH       TYR  22   8.613  -0.836  -1.917
  149    H    CYS  23           H        CYS  23   1.699  -1.238  -5.106
  150    HA   CYS  23           HA       CYS  23   1.966  -2.599  -2.524
  151    HB2  CYS  23           2HB      CYS  23  -0.137  -2.504  -4.427
  152    HB3  CYS  23           1HB      CYS  23   0.458  -4.164  -4.340
  153    HA   PRO  24           HA       PRO  24   5.548  -4.496  -4.698
  154    HB2  PRO  24           2HB      PRO  24   5.414  -6.193  -2.251
  155    HB3  PRO  24           1HB      PRO  24   6.801  -5.367  -2.968
  156    HG2  PRO  24           2HG      PRO  24   5.565  -4.478  -0.775
  157    HG3  PRO  24           1HG      PRO  24   6.346  -3.401  -1.920
  158    HD2  PRO  24           2HD      PRO  24   3.484  -3.843  -1.404
  159    HD3  PRO  24           1HD      PRO  24   4.283  -2.438  -2.125
  160    H    MET  25           H        MET  25   6.131  -7.029  -4.750
  161    HA   MET  25           HA       MET  25   3.652  -8.543  -5.292
  162    HB2  MET  25           1HB      MET  25   4.736  -9.486  -7.310
  163    HB3  MET  25           2HB      MET  25   4.497  -7.741  -7.431
  164    HG2  MET  25           1HG      MET  25   6.847  -7.393  -6.702
  165    HG3  MET  25           2HG      MET  25   7.077  -9.141  -6.664
  166    HE1  MET  25           3HE      MET  25   9.108  -8.060  -9.782
  167    HE2  MET  25           1HE      MET  25   9.113  -8.932  -8.243
  168    HE3  MET  25           2HE      MET  25   8.898  -7.184  -8.269
  169    H    GLU  26           H        GLU  26   5.158  -8.758  -2.928
  170    HA   GLU  26           HA       GLU  26   6.548 -11.351  -3.272
  171    HB2  GLU  26           1HB      GLU  26   7.906  -9.468  -2.333
  172    HB3  GLU  26           2HB      GLU  26   6.791  -9.406  -0.969
  173    HG2  GLU  26           1HG      GLU  26   7.324 -11.731  -0.395
  174    HG3  GLU  26           2HG      GLU  26   8.397 -11.843  -1.789
  175    H    PHE  27           H        PHE  27   4.318 -12.268  -3.304
  176    HA   PHE  27           HA       PHE  27   2.655 -13.491  -2.307
  177    HB2  PHE  27           2HB      PHE  27   4.770 -14.187  -0.969
  178    HB3  PHE  27           1HB      PHE  27   4.080 -13.197   0.314
  179    HD1  PHE  27           1HD      PHE  27   3.312 -16.018  -2.005
  180    HD2  PHE  27           2HD      PHE  27   2.313 -14.024   1.665
  181    HE1  PHE  27           1HE      PHE  27   1.765 -17.866  -1.421
  182    HE2  PHE  27           2HE      PHE  27   0.767 -15.870   2.250
  183    HZ   PHE  27           HZ       PHE  27   0.491 -17.792   0.706
  184    H    ILE  28           H        ILE  28   3.660 -11.300   0.326
  185    HA   ILE  28           HA       ILE  28   0.897 -10.256   0.412
  186    HB   ILE  28           HB       ILE  28   1.512  -9.787   2.874
  187   HG12  ILE  28          1HG1      ILE  28   3.420 -12.076   2.318
  188   HG13  ILE  28          2HG1      ILE  28   3.953 -10.403   2.465
  189   HG21  ILE  28          1HG2      ILE  28   0.720 -12.311   1.520
  190   HG22  ILE  28          2HG2      ILE  28  -0.161 -11.342   2.700
  191   HG23  ILE  28          3HG2      ILE  28   1.118 -12.432   3.235
  192   HD11  ILE  28          3HD1      ILE  28   2.916 -10.303   4.728
  193   HD12  ILE  28          1HD1      ILE  28   4.187 -11.522   4.624
  194   HD13  ILE  28          2HD1      ILE  28   2.493 -12.009   4.582
  195    HA   PRO  29           HA       PRO  29   3.663  -6.725  -0.802
  196    HB2  PRO  29           2HB      PRO  29   0.957  -5.714  -1.521
  197    HB3  PRO  29           1HB      PRO  29   2.452  -5.682  -2.467
  198    HG2  PRO  29           2HG      PRO  29   0.483  -7.359  -3.041
  199    HG3  PRO  29           1HG      PRO  29   2.178  -7.861  -3.195
  200    HD2  PRO  29           2HD      PRO  29   0.188  -8.568  -1.082
  201    HD3  PRO  29           1HD      PRO  29   1.502  -9.548  -1.770
  202    H    HIS  30           H        HIS  30   3.855  -4.655   0.127
  203    HA   HIS  30           HA       HIS  30   1.807  -3.918   2.116
  204    HB2  HIS  30           1HB      HIS  30   4.788  -3.922   2.620
  205    HB3  HIS  30           2HB      HIS  30   3.581  -3.197   3.670
  206    HD1  HIS  30           HD1      HIS  30   5.252  -6.360   3.055
  207    HD2  HIS  30           HD2      HIS  30   1.552  -5.167   4.555
  208    HE1  HIS  30           HE1      HIS  30   4.310  -8.357   4.296
  209    H    CYS  31           H        CYS  31   1.336  -1.783   2.243
  210    HA   CYS  31           HA       CYS  31   1.830  -0.095   0.094
  211    HB2  CYS  31           2HB      CYS  31   0.959   0.368   2.923
  212    HB3  CYS  31           1HB      CYS  31   1.268   1.745   1.876
  213    H    LYS  32           H        LYS  32   3.681   0.774  -0.578
  214    HA   LYS  32           HA       LYS  32   5.600   1.714   1.452
  215    HB2  LYS  32           1HB      LYS  32   6.442  -0.391   0.567
  216    HB3  LYS  32           2HB      LYS  32   6.227   0.181  -1.070
  217    HG2  LYS  32           1HG      LYS  32   8.591   0.353  -0.398
  218    HG3  LYS  32           2HG      LYS  32   7.921   1.954  -0.682
  219    HD2  LYS  32           1HD      LYS  32   7.705   2.379   1.677
  220    HD3  LYS  32           2HD      LYS  32   8.050   0.694   2.074
  221    HE2  LYS  32           1HE      LYS  32  10.335   0.970   1.174
  222    HE3  LYS  32           2HE      LYS  32   9.971   2.650   0.774
  223    HZ1  LYS  32           3HZ      LYS  32  10.600   3.169   2.821
  224    HZ2  LYS  32           1HZ      LYS  32  10.745   1.537   3.265
  225    HZ3  LYS  32           2HZ      LYS  32   9.249   2.328   3.415
  226    H    LYS  33           H        LYS  33   6.204   3.776   1.177
  227    HA   LYS  33           HA       LYS  33   5.158   5.281  -1.013
  228    HB2  LYS  33           1HB      LYS  33   5.674   6.036   1.443
  229    HB3  LYS  33           2HB      LYS  33   7.289   6.337   0.811
  230    HG2  LYS  33           1HG      LYS  33   6.411   7.845  -0.876
  231    HG3  LYS  33           2HG      LYS  33   4.752   7.458  -0.421
  232    HD2  LYS  33           1HD      LYS  33   5.329   8.308   1.914
  233    HD3  LYS  33           2HD      LYS  33   6.814   8.951   1.207
  234    HE2  LYS  33           1HE      LYS  33   4.015   9.587   0.224
  235    HE3  LYS  33           2HE      LYS  33   4.986  10.644   1.255
  236    HZ1  LYS  33           3HZ      LYS  33   6.222  11.296  -0.466
  237    HZ2  LYS  33           1HZ      LYS  33   5.006  10.644  -1.452
  238    HZ3  LYS  33           2HZ      LYS  33   6.383   9.719  -1.081
  239    H    TYR  34           H        TYR  34   6.086   5.887  -2.866
  240    HA   TYR  34           HA       TYR  34   8.982   5.646  -3.196
  241    HB2  TYR  34           2HB      TYR  34   8.863   4.265  -5.090
  242    HB3  TYR  34           1HB      TYR  34   7.803   3.508  -3.918
  243    HD1  TYR  34           1HD      TYR  34   8.072   4.497  -7.256
  244    HD2  TYR  34           2HD      TYR  34   5.259   4.494  -3.998
  245    HE1  TYR  34           1HE      TYR  34   6.200   4.655  -8.862
  246    HE2  TYR  34           2HE      TYR  34   3.397   4.611  -5.611
  247    HH   TYR  34           HH       TYR  34   3.844   5.426  -8.876
  248    H    LYS  35           H        LYS  35   9.136   6.111  -5.879
  249    HA   LYS  35           HA       LYS  35   8.105   8.858  -6.037
  250    HB2  LYS  35           1HB      LYS  35  10.382   7.512  -7.496
  251    HB3  LYS  35           2HB      LYS  35   9.932   9.208  -7.649
  252    HG2  LYS  35           1HG      LYS  35  11.542   9.426  -6.015
  253    HG3  LYS  35           2HG      LYS  35  10.152   9.119  -4.980
  254    HD2  LYS  35           1HD      LYS  35  11.548   7.517  -4.119
  255    HD3  LYS  35           2HD      LYS  35  10.904   6.556  -5.452
  256    HE2  LYS  35           1HE      LYS  35  13.467   8.189  -5.485
  257    HE3  LYS  35           2HE      LYS  35  13.354   6.428  -5.433
  258    HZ1  LYS  35           3HZ      LYS  35  13.695   6.970  -7.669
  259    HZ2  LYS  35           1HZ      LYS  35  12.581   8.248  -7.633
  260    HZ3  LYS  35           2HZ      LYS  35  12.031   6.642  -7.558
  261    HA   PRO  36           HA       PRO  36   5.623   6.871  -9.338
  262    HB2  PRO  36           2HB      PRO  36   3.592   8.657  -9.420
  263    HB3  PRO  36           1HB      PRO  36   3.720   7.426  -8.148
  264    HG2  PRO  36           2HG      PRO  36   4.399  10.318  -8.058
  265    HG3  PRO  36           1HG      PRO  36   3.638   9.296  -6.829
  266    HD2  PRO  36           2HD      PRO  36   6.306  10.008  -6.824
  267    HD3  PRO  36           1HD      PRO  36   5.656   8.577  -5.997
  268    H    TYR  37           H        TYR  37   5.037   7.474 -11.523
  269    HA   TYR  37           HA       TYR  37   6.374   9.925 -12.498
  270    HB2  TYR  37           2HB      TYR  37   6.361   7.189 -13.792
  271    HB3  TYR  37           1HB      TYR  37   7.054   8.649 -14.495
  272    HD1  TYR  37           1HD      TYR  37   7.421   6.072 -11.903
  273    HD2  TYR  37           2HD      TYR  37   9.073   9.675 -13.554
  274    HE1  TYR  37           1HE      TYR  37   9.526   5.678 -10.655
  275    HE2  TYR  37           2HE      TYR  37  11.178   9.283 -12.304
  276    HH   TYR  37           HH       TYR  37  12.391   7.318 -11.321
  277    H    VAL  38           H        VAL  38   5.384  10.995 -14.195
  278    HA   VAL  38           HA       VAL  38   2.761   9.960 -15.083
  279    HB   VAL  38           HB       VAL  38   2.364  11.651 -13.369
  280   HG11  VAL  38          1HG1      VAL  38   3.615  13.518 -13.164
  281   HG12  VAL  38          2HG1      VAL  38   3.421  13.922 -14.871
  282   HG13  VAL  38          3HG1      VAL  38   4.693  12.809 -14.365
  283   HG21  VAL  38          3HG2      VAL  38   1.343  11.648 -15.958
  284   HG22  VAL  38          1HG2      VAL  38   1.760  13.338 -15.680
  285   HG23  VAL  38          2HG2      VAL  38   0.657  12.511 -14.580
  286    HA   PRO  39           HA       PRO  39   5.518  11.423 -18.579
  287    HB2  PRO  39           2HB      PRO  39   5.557   9.105 -20.004
  288    HB3  PRO  39           1HB      PRO  39   6.704   9.449 -18.696
  289    HG2  PRO  39           2HG      PRO  39   4.244   7.771 -18.662
  290    HG3  PRO  39           1HG      PRO  39   5.822   7.478 -17.911
  291    HD2  PRO  39           2HD      PRO  39   3.655   8.411 -16.524
  292    HD3  PRO  39           1HD      PRO  39   5.331   8.768 -16.061
  293    H    VAL  40           H        VAL  40   4.872  11.926 -20.718
  294    HA   VAL  40           HA       VAL  40   2.009  12.009 -21.104
  295    HB   VAL  40           HB       VAL  40   4.303  12.981 -22.824
  296   HG11  VAL  40          1HG1      VAL  40   1.327  12.991 -23.169
  297   HG12  VAL  40          2HG1      VAL  40   2.595  12.798 -24.381
  298   HG13  VAL  40          3HG1      VAL  40   2.244  14.395 -23.720
  299   HG21  VAL  40          3HG2      VAL  40   3.572  13.980 -20.441
  300   HG22  VAL  40          1HG2      VAL  40   2.354  14.771 -21.439
  301   HG23  VAL  40          2HG2      VAL  40   4.068  15.023 -21.774
  302    H    THR  41           H        THR  41   0.821  10.640 -22.269
  303    HA   THR  41           HA       THR  41   2.223   8.647 -23.943
  304    HB   THR  41           HB       THR  41  -0.487   8.499 -22.604
  305    HG1  THR  41           1HG      THR  41   0.740   7.934 -21.006
  306   HG21  THR  41          3HG2      THR  41   0.130   5.964 -23.320
  307   HG22  THR  41          1HG2      THR  41   0.899   6.844 -24.639
  308   HG23  THR  41          2HG2      THR  41  -0.826   7.044 -24.335
  309    H    THR  42           H        THR  42   1.904   8.689 -26.069
  310    HA   THR  42           HA       THR  42   0.157  10.658 -27.242
  311    HB   THR  42           HB       THR  42   2.132  10.381 -28.458
  312    HG1  THR  42           1HG      THR  42   1.443   9.141 -30.362
  313   HG21  THR  42          3HG2      THR  42   2.797   7.967 -29.178
  314   HG22  THR  42          1HG2      THR  42   1.730   7.456 -27.872
  315   HG23  THR  42          2HG2      THR  42   3.128   8.474 -27.521
  Start of MODEL   11
    1    HA   ASP   1           HA       ASP   1 -11.824   1.767   5.653
    2    HB2  ASP   1           1HB      ASP   1 -12.124   4.057   4.814
    3    HB3  ASP   1           2HB      ASP   1 -12.289   4.015   6.569
    4    H    CYS   2           H        CYS   2  -8.478   2.522   5.869
    5    HA   CYS   2           HA       CYS   2  -8.060   1.536   3.156
    6    HB2  CYS   2           2HB      CYS   2  -6.702   3.421   2.461
    7    HB3  CYS   2           1HB      CYS   2  -8.303   4.008   2.907
    8    H    ALA   3           H        ALA   3  -5.718   1.149   2.724
    9    HA   ALA   3           HA       ALA   3  -4.432   0.195   5.175
   10    HB1  ALA   3           3HB      ALA   3  -3.497  -1.403   3.866
   11    HB2  ALA   3           1HB      ALA   3  -3.076  -0.250   2.599
   12    HB3  ALA   3           2HB      ALA   3  -4.709  -0.912   2.682
   13    H    LYS   4           H        LYS   4  -2.983   1.433   6.184
   14    HA   LYS   4           HA       LYS   4  -1.838   3.769   4.922
   15    HB2  LYS   4           1HB      LYS   4  -1.348   2.544   7.649
   16    HB3  LYS   4           2HB      LYS   4  -0.734   4.106   7.108
   17    HG2  LYS   4           1HG      LYS   4  -3.042   4.899   6.758
   18    HG3  LYS   4           2HG      LYS   4  -3.660   3.339   7.304
   19    HD2  LYS   4           1HD      LYS   4  -2.596   3.671   9.498
   20    HD3  LYS   4           2HD      LYS   4  -1.956   5.223   8.960
   21    HE2  LYS   4           1HE      LYS   4  -4.002   5.580  10.257
   22    HE3  LYS   4           2HE      LYS   4  -4.280   6.017   8.571
   23    HZ1  LYS   4           3HZ      LYS   4  -5.787   4.294  10.023
   24    HZ2  LYS   4           1HZ      LYS   4  -4.800   3.250   9.121
   25    HZ3  LYS   4           2HZ      LYS   4  -5.766   4.398   8.327
   26    H    GLU   5           H        GLU   5   0.684   4.010   5.714
   27    HA   GLU   5           HA       GLU   5   2.131   2.436   3.906
   28    HB2  GLU   5           1HB      GLU   5   2.894   4.639   4.707
   29    HB3  GLU   5           2HB      GLU   5   3.194   3.949   6.303
   30    HG2  GLU   5           1HG      GLU   5   4.434   2.708   3.853
   31    HG3  GLU   5           2HG      GLU   5   5.174   4.112   4.605
   32    H    GLY   6           H        GLY   6   3.203   0.581   4.040
   33    HA2  GLY   6           1HA      GLY   6   4.162  -1.323   4.921
   34    HA3  GLY   6           2HA      GLY   6   3.942  -0.665   6.529
   35    H    GLU   7           H        GLU   7   1.020  -0.444   4.939
   36    HA   GLU   7           HA       GLU   7   0.022  -2.773   6.415
   37    HB2  GLU   7           1HB      GLU   7  -1.545  -0.642   4.938
   38    HB3  GLU   7           2HB      GLU   7  -2.193  -1.855   6.043
   39    HG2  GLU   7           1HG      GLU   7  -0.175   0.273   6.801
   40    HG3  GLU   7           2HG      GLU   7  -1.898   0.336   7.159
   41    H    VAL   8           H        VAL   8  -1.360  -4.330   5.449
   42    HA   VAL   8           HA       VAL   8  -0.444  -5.303   2.975
   43    HB   VAL   8           HB       VAL   8  -2.907  -5.971   4.588
   44   HG11  VAL   8          1HG1      VAL   8  -2.506  -8.146   3.039
   45   HG12  VAL   8          2HG1      VAL   8  -1.961  -6.894   1.922
   46   HG13  VAL   8          3HG1      VAL   8  -3.597  -6.840   2.579
   47   HG21  VAL   8          3HG2      VAL   8  -1.616  -7.871   5.315
   48   HG22  VAL   8          1HG2      VAL   8  -0.588  -6.451   5.513
   49   HG23  VAL   8          2HG2      VAL   8  -0.349  -7.531   4.138
   50    H    CYS   9           H        CYS   9  -1.123  -5.046   0.909
   51    HA   CYS   9           HA       CYS   9  -3.673  -3.627   0.447
   52    HB2  CYS   9           2HB      CYS   9  -2.644  -2.095  -1.132
   53    HB3  CYS   9           1HB      CYS   9  -1.843  -1.937   0.431
   54    H    SER  10           H        SER  10  -4.259  -3.703  -1.906
   55    HA   SER  10           HA       SER  10  -4.563  -4.806  -3.908
   56    HB2  SER  10           1HB      SER  10  -2.302  -6.684  -3.343
   57    HB3  SER  10           2HB      SER  10  -2.864  -6.030  -4.876
   58    HG   SER  10           HG       SER  10  -2.073  -3.987  -4.179
   59    H    TRP  11           H        TRP  11  -4.000  -6.577  -0.962
   60    HA   TRP  11           HA       TRP  11  -5.206  -9.028  -1.812
   61    HB2  TRP  11           2HB      TRP  11  -3.959  -7.974   0.561
   62    HB3  TRP  11           1HB      TRP  11  -5.448  -8.797   0.999
   63    HD1  TRP  11           1HD      TRP  11  -2.020  -9.591   0.795
   64    HE1  TRP  11           1HE      TRP  11  -1.595 -12.064   0.192
   65    HE3  TRP  11           3HE      TRP  11  -6.613 -10.841  -1.017
   66    HZ2  TRP  11           2HZ      TRP  11  -3.025 -14.282  -0.919
   67    HZ3  TRP  11           3HZ      TRP  11  -7.062 -13.140  -1.844
   68    HH2  TRP  11           2HH      TRP  11  -5.275 -14.857  -1.799
   69    H    GLY  12           H        GLY  12  -6.783  -6.810  -2.575
   70    HA2  GLY  12           1HA      GLY  12  -9.156  -6.756  -2.765
   71    HA3  GLY  12           2HA      GLY  12  -9.278  -7.494  -1.170
   72    H    LYS  13           H        LYS  13  -6.953  -5.288  -0.746
   73    HA   LYS  13           HA       LYS  13  -8.858  -3.153   0.019
   74    HB2  LYS  13           1HB      LYS  13  -6.559  -4.388   1.436
   75    HB3  LYS  13           2HB      LYS  13  -6.739  -2.641   1.598
   76    HG2  LYS  13           1HG      LYS  13  -7.968  -3.876   3.375
   77    HG3  LYS  13           2HG      LYS  13  -9.050  -2.921   2.360
   78    HD2  LYS  13           1HD      LYS  13  -9.950  -4.785   1.320
   79    HD3  LYS  13           2HD      LYS  13  -8.501  -5.757   1.576
   80    HE2  LYS  13           1HE      LYS  13 -10.346  -6.522   3.029
   81    HE3  LYS  13           2HE      LYS  13  -9.006  -5.891   3.987
   82    HZ1  LYS  13           3HZ      LYS  13 -11.689  -4.929   3.761
   83    HZ2  LYS  13           1HZ      LYS  13 -10.551  -3.705   3.477
   84    HZ3  LYS  13           2HZ      LYS  13 -10.508  -4.580   4.932
   85    H    LYS  14           H        LYS  14  -8.125  -0.973  -0.161
   86    HA   LYS  14           HA       LYS  14  -6.046  -0.610  -2.236
   87    HB2  LYS  14           1HB      LYS  14  -8.475   1.064  -1.542
   88    HB3  LYS  14           2HB      LYS  14  -7.239   1.541  -2.706
   89    HG2  LYS  14           1HG      LYS  14  -7.695  -0.500  -4.026
   90    HG3  LYS  14           2HG      LYS  14  -8.942  -0.963  -2.868
   91    HD2  LYS  14           1HD      LYS  14 -10.194   1.098  -3.373
   92    HD3  LYS  14           2HD      LYS  14  -8.945   1.582  -4.519
   93    HE2  LYS  14           1HE      LYS  14  -9.393  -0.442  -5.863
   94    HE3  LYS  14           2HE      LYS  14 -10.644  -0.925  -4.719
   95    HZ1  LYS  14           3HZ      LYS  14 -11.596   0.207  -6.620
   96    HZ2  LYS  14           1HZ      LYS  14 -10.630   1.571  -6.328
   97    HZ3  LYS  14           2HZ      LYS  14 -11.830   1.126  -5.210
   98    H    CYS  15           H        CYS  15  -4.419   0.778  -1.925
   99    HA   CYS  15           HA       CYS  15  -3.744   1.493   0.763
  100    HB2  CYS  15           2HB      CYS  15  -2.223   0.891  -1.274
  101    HB3  CYS  15           1HB      CYS  15  -2.385   2.598  -1.665
  102    H    CYS  16           H        CYS  16  -4.178   3.341   1.812
  103    HA   CYS  16           HA       CYS  16  -6.027   5.192   1.119
  104    HB2  CYS  16           2HB      CYS  16  -4.097   4.945   3.146
  105    HB3  CYS  16           1HB      CYS  16  -3.891   6.564   2.479
  106    H    ASP  17           H        ASP  17  -2.705   5.105   0.032
  107    HA   ASP  17           HA       ASP  17  -3.335   7.284  -1.850
  108    HB2  ASP  17           1HB      ASP  17  -1.144   7.185   0.164
  109    HB3  ASP  17           2HB      ASP  17  -0.764   7.845  -1.425
  110    H    LEU  18           H        LEU  18  -3.458   5.928  -3.612
  111    HA   LEU  18           HA       LEU  18  -1.370   3.975  -4.112
  112    HB2  LEU  18           1HB      LEU  18  -3.845   4.821  -5.624
  113    HB3  LEU  18           2HB      LEU  18  -2.699   3.647  -6.269
  114    HG   LEU  18           HG       LEU  18  -3.891   3.314  -3.507
  115   HD11  LEU  18          1HD1      LEU  18  -5.003   2.286  -6.135
  116   HD12  LEU  18          2HD1      LEU  18  -5.751   3.519  -5.120
  117   HD13  LEU  18          3HD1      LEU  18  -5.601   1.863  -4.530
  118   HD21  LEU  18          3HD2      LEU  18  -1.935   1.910  -4.947
  119   HD22  LEU  18          1HD2      LEU  18  -3.396   0.950  -5.153
  120   HD23  LEU  18          2HD2      LEU  18  -2.809   1.319  -3.536
  121    H    ASP  19           H        ASP  19  -1.738   7.266  -4.603
  122    HA   ASP  19           HA       ASP  19  -0.175   7.338  -7.076
  123    HB2  ASP  19           1HB      ASP  19  -0.549   9.756  -6.982
  124    HB3  ASP  19           2HB      ASP  19  -2.073   8.882  -6.829
  125    H    ASN  20           H        ASN  20   0.563   6.833  -3.959
  126    HA   ASN  20           HA       ASN  20   3.203   8.101  -4.267
  127    HB2  ASN  20           1HB      ASN  20   1.503   8.246  -1.775
  128    HB3  ASN  20           2HB      ASN  20   3.165   8.785  -1.893
  129   HD21  ASN  20          1HD2      ASN  20   0.239  11.258  -2.937
  130   HD22  ASN  20          2HD2      ASN  20   0.009   9.845  -2.033
  131    H    PHE  21           H        PHE  21   1.206   5.538  -3.132
  132    HA   PHE  21           HA       PHE  21   3.602   4.101  -2.180
  133    HB2  PHE  21           2HB      PHE  21   0.727   3.840  -1.289
  134    HB3  PHE  21           1HB      PHE  21   2.034   2.776  -0.775
  135    HD1  PHE  21           1HD      PHE  21   0.921   6.333  -0.803
  136    HD2  PHE  21           2HD      PHE  21   3.526   3.414   0.957
  137    HE1  PHE  21           1HE      PHE  21   1.524   7.949   0.970
  138    HE2  PHE  21           2HE      PHE  21   4.137   5.032   2.729
  139    HZ   PHE  21           HZ       PHE  21   3.136   7.298   2.739
  140    H    TYR  22           H        TYR  22   3.712   1.847  -2.657
  141    HA   TYR  22           HA       TYR  22   1.965   0.978  -4.881
  142    HB2  TYR  22           2HB      TYR  22   3.836   0.106  -6.063
  143    HB3  TYR  22           1HB      TYR  22   4.290   1.737  -5.587
  144    HD1  TYR  22           1HD      TYR  22   4.808  -1.873  -4.873
  145    HD2  TYR  22           2HD      TYR  22   5.935   2.161  -3.955
  146    HE1  TYR  22           1HE      TYR  22   6.857  -2.664  -3.832
  147    HE2  TYR  22           2HE      TYR  22   7.967   1.357  -2.884
  148    HH   TYR  22           HH       TYR  22   8.482  -1.981  -2.199
  149    H    CYS  23           H        CYS  23   1.917  -1.362  -5.162
  150    HA   CYS  23           HA       CYS  23   2.113  -2.725  -2.577
  151    HB2  CYS  23           2HB      CYS  23   0.477  -3.308  -5.037
  152    HB3  CYS  23           1HB      CYS  23   0.591  -4.395  -3.656
  153    HA   PRO  24           HA       PRO  24   5.841  -4.630  -4.476
  154    HB2  PRO  24           2HB      PRO  24   5.479  -6.314  -2.030
  155    HB3  PRO  24           1HB      PRO  24   6.942  -5.542  -2.657
  156    HG2  PRO  24           2HG      PRO  24   5.682  -4.533  -0.582
  157    HG3  PRO  24           1HG      PRO  24   6.395  -3.491  -1.805
  158    HD2  PRO  24           2HD      PRO  24   3.520  -4.141  -1.336
  159    HD3  PRO  24           1HD      PRO  24   4.260  -2.643  -1.927
  160    H    MET  25           H        MET  25   6.214  -6.514  -5.582
  161    HA   MET  25           HA       MET  25   3.907  -8.153  -6.176
  162    HB2  MET  25           1HB      MET  25   5.569  -9.326  -7.714
  163    HB3  MET  25           2HB      MET  25   5.256  -7.625  -8.050
  164    HG2  MET  25           1HG      MET  25   7.309  -6.976  -6.895
  165    HG3  MET  25           2HG      MET  25   7.599  -8.647  -6.417
  166    HE1  MET  25           3HE      MET  25   7.984  -6.584 -10.414
  167    HE2  MET  25           1HE      MET  25   6.917  -6.209  -9.056
  168    HE3  MET  25           2HE      MET  25   6.424  -7.387 -10.268
  169    H    GLU  26           H        GLU  26   3.950  -8.807  -3.763
  170    HA   GLU  26           HA       GLU  26   5.369 -11.373  -3.583
  171    HB2  GLU  26           1HB      GLU  26   5.143  -9.266  -1.427
  172    HB3  GLU  26           2HB      GLU  26   5.667 -10.925  -1.135
  173    HG2  GLU  26           1HG      GLU  26   7.524 -10.638  -2.716
  174    HG3  GLU  26           2HG      GLU  26   6.987  -8.996  -3.065
  175    H    PHE  27           H        PHE  27   4.425 -12.546  -1.537
  176    HA   PHE  27           HA       PHE  27   1.771 -13.236  -2.126
  177    HB2  PHE  27           2HB      PHE  27   3.358 -14.727  -0.941
  178    HB3  PHE  27           1HB      PHE  27   3.264 -13.678   0.475
  179    HD1  PHE  27           1HD      PHE  27   1.090 -15.606  -1.882
  180    HD2  PHE  27           2HD      PHE  27   1.599 -14.062   2.094
  181    HE1  PHE  27           1HE      PHE  27  -0.967 -16.786  -1.164
  182    HE2  PHE  27           2HE      PHE  27  -0.462 -15.245   2.814
  183    HZ   PHE  27           HZ       PHE  27  -1.744 -16.605   1.185
  184    H    ILE  28           H        ILE  28   3.123 -11.133   0.384
  185    HA   ILE  28           HA       ILE  28   0.419 -10.021   0.823
  186    HB   ILE  28           HB       ILE  28   1.297  -9.575   3.199
  187   HG12  ILE  28          1HG1      ILE  28   3.104 -11.896   2.479
  188   HG13  ILE  28          2HG1      ILE  28   3.673 -10.230   2.541
  189   HG21  ILE  28          1HG2      ILE  28  -0.382 -11.120   3.284
  190   HG22  ILE  28          2HG2      ILE  28   0.945 -12.241   3.597
  191   HG23  ILE  28          3HG2      ILE  28   0.296 -12.073   1.965
  192   HD11  ILE  28          3HD1      ILE  28   2.456 -11.813   4.819
  193   HD12  ILE  28          1HD1      ILE  28   2.833 -10.094   4.902
  194   HD13  ILE  28          2HD1      ILE  28   4.127 -11.271   4.685
  195    HA   PRO  29           HA       PRO  29   3.343  -6.720  -0.732
  196    HB2  PRO  29           2HB      PRO  29   0.662  -5.649  -1.486
  197    HB3  PRO  29           1HB      PRO  29   2.153  -5.723  -2.443
  198    HG2  PRO  29           2HG      PRO  29   0.139  -7.372  -2.923
  199    HG3  PRO  29           1HG      PRO  29   1.812  -7.944  -3.017
  200    HD2  PRO  29           2HD      PRO  29  -0.216  -8.408  -0.864
  201    HD3  PRO  29           1HD      PRO  29   1.038  -9.503  -1.492
  202    H    HIS  30           H        HIS  30   3.830  -4.823   0.332
  203    HA   HIS  30           HA       HIS  30   1.816  -3.834   2.275
  204    HB2  HIS  30           1HB      HIS  30   4.818  -3.889   2.644
  205    HB3  HIS  30           2HB      HIS  30   3.649  -3.190   3.753
  206    HD1  HIS  30           HD1      HIS  30   5.125  -6.439   2.748
  207    HD2  HIS  30           HD2      HIS  30   1.877  -5.093   4.986
  208    HE1  HIS  30           HE1      HIS  30   4.303  -8.431   4.083
  209    H    CYS  31           H        CYS  31   1.341  -1.728   2.214
  210    HA   CYS  31           HA       CYS  31   1.940  -0.117   0.031
  211    HB2  CYS  31           2HB      CYS  31   1.034   0.505   2.823
  212    HB3  CYS  31           1HB      CYS  31   1.330   1.799   1.673
  213    H    LYS  32           H        LYS  32   3.815   0.704  -0.618
  214    HA   LYS  32           HA       LYS  32   5.711   1.699   1.429
  215    HB2  LYS  32           1HB      LYS  32   6.529  -0.443   0.579
  216    HB3  LYS  32           2HB      LYS  32   6.367   0.134  -1.062
  217    HG2  LYS  32           1HG      LYS  32   8.708   0.292  -0.332
  218    HG3  LYS  32           2HG      LYS  32   8.055   1.901  -0.612
  219    HD2  LYS  32           1HD      LYS  32   7.908   2.386   1.677
  220    HD3  LYS  32           2HD      LYS  32   7.915   0.683   2.136
  221    HE2  LYS  32           1HE      LYS  32  10.079   1.709   2.674
  222    HE3  LYS  32           2HE      LYS  32  10.283   0.516   1.393
  223    HZ1  LYS  32           3HZ      LYS  32   9.665   2.952   0.192
  224    HZ2  LYS  32           1HZ      LYS  32  11.130   2.101   0.126
  225    HZ3  LYS  32           2HZ      LYS  32  10.877   3.259   1.341
  226    H    LYS  33           H        LYS  33   6.311   3.731   1.116
  227    HA   LYS  33           HA       LYS  33   5.289   5.273  -1.033
  228    HB2  LYS  33           1HB      LYS  33   5.811   6.082   1.299
  229    HB3  LYS  33           2HB      LYS  33   7.511   6.068   0.845
  230    HG2  LYS  33           1HG      LYS  33   7.052   7.600  -1.014
  231    HG3  LYS  33           2HG      LYS  33   5.338   7.608  -0.607
  232    HD2  LYS  33           1HD      LYS  33   7.469   8.445   1.374
  233    HD3  LYS  33           2HD      LYS  33   6.735   9.585   0.249
  234    HE2  LYS  33           1HE      LYS  33   4.471   8.870   1.158
  235    HE3  LYS  33           2HE      LYS  33   5.340   7.990   2.416
  236    HZ1  LYS  33           3HZ      LYS  33   6.558  10.278   2.666
  237    HZ2  LYS  33           1HZ      LYS  33   5.076   9.990   3.441
  238    HZ3  LYS  33           2HZ      LYS  33   5.117  10.879   1.995
  239    H    TYR  34           H        TYR  34   6.181   5.929  -2.904
  240    HA   TYR  34           HA       TYR  34   9.022   5.671  -3.415
  241    HB2  TYR  34           2HB      TYR  34   8.886   4.097  -5.135
  242    HB3  TYR  34           1HB      TYR  34   7.870   3.424  -3.875
  243    HD1  TYR  34           1HD      TYR  34   8.025   3.854  -7.267
  244    HD2  TYR  34           2HD      TYR  34   5.299   4.600  -4.018
  245    HE1  TYR  34           1HE      TYR  34   6.123   3.825  -8.843
  246    HE2  TYR  34           2HE      TYR  34   3.408   4.555  -5.600
  247    HH   TYR  34           HH       TYR  34   3.570   3.324  -8.653
  248    H    LYS  35           H        LYS  35   9.103   5.964  -6.081
  249    HA   LYS  35           HA       LYS  35   7.793   8.550  -6.470
  250    HB2  LYS  35           1HB      LYS  35   9.506   8.640  -8.428
  251    HB3  LYS  35           2HB      LYS  35  10.055   8.901  -6.774
  252    HG2  LYS  35           1HG      LYS  35  10.034   6.096  -7.810
  253    HG3  LYS  35           2HG      LYS  35  11.296   7.180  -8.392
  254    HD2  LYS  35           1HD      LYS  35  11.913   7.690  -6.042
  255    HD3  LYS  35           2HD      LYS  35  10.701   6.540  -5.482
  256    HE2  LYS  35           1HE      LYS  35  11.836   4.735  -6.720
  257    HE3  LYS  35           2HE      LYS  35  13.062   5.885  -7.261
  258    HZ1  LYS  35           3HZ      LYS  35  12.458   5.132  -4.457
  259    HZ2  LYS  35           1HZ      LYS  35  13.556   6.341  -4.913
  260    HZ3  LYS  35           2HZ      LYS  35  13.853   4.721  -5.336
  261    HA   PRO  36           HA       PRO  36   5.345   6.130  -9.465
  262    HB2  PRO  36           2HB      PRO  36   3.424   7.981  -9.974
  263    HB3  PRO  36           1HB      PRO  36   3.438   7.004  -8.492
  264    HG2  PRO  36           2HG      PRO  36   4.293   9.823  -8.911
  265    HG3  PRO  36           1HG      PRO  36   3.430   9.095  -7.550
  266    HD2  PRO  36           2HD      PRO  36   6.125   9.648  -7.521
  267    HD3  PRO  36           1HD      PRO  36   5.373   8.391  -6.517
  268    H    TYR  37           H        TYR  37   5.053   6.161 -11.732
  269    HA   TYR  37           HA       TYR  37   5.857   8.489 -13.270
  270    HB2  TYR  37           2HB      TYR  37   7.641   7.308 -14.459
  271    HB3  TYR  37           1HB      TYR  37   8.009   7.401 -12.737
  272    HD1  TYR  37           1HD      TYR  37   7.268   5.194 -15.549
  273    HD2  TYR  37           2HD      TYR  37   7.622   5.420 -11.274
  274    HE1  TYR  37           1HE      TYR  37   7.419   2.720 -15.429
  275    HE2  TYR  37           2HE      TYR  37   7.770   2.952 -11.153
  276    HH   TYR  37           HH       TYR  37   7.253   1.012 -12.415
  277    H    VAL  38           H        VAL  38   5.509   8.159 -15.601
  278    HA   VAL  38           HA       VAL  38   3.358   6.200 -16.046
  279    HB   VAL  38           HB       VAL  38   2.716   7.664 -17.950
  280   HG11  VAL  38          1HG1      VAL  38   2.651   9.746 -16.016
  281   HG12  VAL  38          2HG1      VAL  38   2.546   8.221 -15.136
  282   HG13  VAL  38          3HG1      VAL  38   1.375   8.593 -16.403
  283   HG21  VAL  38          3HG2      VAL  38   4.978   9.374 -16.867
  284   HG22  VAL  38          1HG2      VAL  38   3.783   9.929 -18.039
  285   HG23  VAL  38          2HG2      VAL  38   4.899   8.630 -18.463
  286    HA   PRO  39           HA       PRO  39   5.976   3.970 -18.850
  287    HB2  PRO  39           2HB      PRO  39   4.117   2.943 -20.586
  288    HB3  PRO  39           1HB      PRO  39   4.397   2.303 -18.954
  289    HG2  PRO  39           2HG      PRO  39   2.267   4.148 -19.922
  290    HG3  PRO  39           1HG      PRO  39   2.156   2.792 -18.787
  291    HD2  PRO  39           2HD      PRO  39   2.243   5.373 -17.937
  292    HD3  PRO  39           1HD      PRO  39   2.950   4.042 -16.997
  293    H    VAL  40           H        VAL  40   3.774   6.379 -20.025
  294    HA   VAL  40           HA       VAL  40   5.643   7.043 -22.183
  295    HB   VAL  40           HB       VAL  40   3.920   5.524 -23.160
  296   HG11  VAL  40          1HG1      VAL  40   1.677   5.891 -22.935
  297   HG12  VAL  40          2HG1      VAL  40   1.857   7.645 -22.977
  298   HG13  VAL  40          3HG1      VAL  40   2.178   6.761 -21.485
  299   HG21  VAL  40          3HG2      VAL  40   4.694   8.157 -24.036
  300   HG22  VAL  40          1HG2      VAL  40   3.054   7.818 -24.590
  301   HG23  VAL  40          2HG2      VAL  40   4.372   6.723 -25.011
  302    H    THR  41           H        THR  41   5.748   9.205 -22.618
  303    HA   THR  41           HA       THR  41   4.651  11.014 -20.700
  304    HB   THR  41           HB       THR  41   5.715  12.758 -22.084
  305    HG1  THR  41           1HG      THR  41   6.346  12.344 -24.067
  306   HG21  THR  41          3HG2      THR  41   7.051  10.351 -21.074
  307   HG22  THR  41          1HG2      THR  41   7.447  12.050 -20.812
  308   HG23  THR  41          2HG2      THR  41   8.003  11.229 -22.271
  309    H    THR  42           H        THR  42   3.667   9.900 -23.851
  310    HA   THR  42           HA       THR  42   1.156  11.366 -23.578
  311    HB   THR  42           HB       THR  42   2.970  11.679 -25.983
  312    HG1  THR  42           1HG      THR  42   1.972  13.445 -24.006
  313   HG21  THR  42          3HG2      THR  42   0.932  13.343 -26.475
  314   HG22  THR  42          1HG2      THR  42   0.055  12.129 -25.543
  315   HG23  THR  42          2HG2      THR  42   0.912  11.664 -27.012
  Start of MODEL   12
    1    HA   ASP   1           HA       ASP   1 -12.019   1.324   5.061
    2    HB2  ASP   1           1HB      ASP   1 -10.269   1.162   6.762
    3    HB3  ASP   1           2HB      ASP   1 -11.525  -0.032   7.085
    4    H    CYS   2           H        CYS   2  -8.911   1.053   5.538
    5    HA   CYS   2           HA       CYS   2  -7.968   0.923   2.782
    6    HB2  CYS   2           2HB      CYS   2  -8.672   3.230   2.896
    7    HB3  CYS   2           1HB      CYS   2  -7.808   3.454   4.415
    8    H    ALA   3           H        ALA   3  -5.687   0.889   2.589
    9    HA   ALA   3           HA       ALA   3  -4.355   0.063   5.095
   10    HB1  ALA   3           3HB      ALA   3  -2.809  -0.589   2.786
   11    HB2  ALA   3           1HB      ALA   3  -4.474  -1.096   2.498
   12    HB3  ALA   3           2HB      ALA   3  -3.606  -1.684   3.917
   13    H    LYS   4           H        LYS   4  -3.102   1.568   5.961
   14    HA   LYS   4           HA       LYS   4  -2.096   3.819   4.450
   15    HB2  LYS   4           1HB      LYS   4  -2.779   3.525   7.039
   16    HB3  LYS   4           2HB      LYS   4  -1.049   3.212   7.173
   17    HG2  LYS   4           1HG      LYS   4  -1.074   5.517   7.406
   18    HG3  LYS   4           2HG      LYS   4  -0.869   5.382   5.659
   19    HD2  LYS   4           1HD      LYS   4  -3.385   5.502   5.445
   20    HD3  LYS   4           2HD      LYS   4  -3.448   5.878   7.168
   21    HE2  LYS   4           1HE      LYS   4  -1.897   7.466   5.102
   22    HE3  LYS   4           2HE      LYS   4  -3.462   7.933   5.769
   23    HZ1  LYS   4           3HZ      LYS   4  -0.861   8.201   6.903
   24    HZ2  LYS   4           1HZ      LYS   4  -1.907   7.374   7.950
   25    HZ3  LYS   4           2HZ      LYS   4  -2.324   8.919   7.381
   26    H    GLU   5           H        GLU   5   0.435   4.155   5.659
   27    HA   GLU   5           HA       GLU   5   2.095   2.701   3.899
   28    HB2  GLU   5           1HB      GLU   5   2.746   4.880   4.754
   29    HB3  GLU   5           2HB      GLU   5   2.797   4.247   6.400
   30    HG2  GLU   5           1HG      GLU   5   4.638   2.795   5.872
   31    HG3  GLU   5           2HG      GLU   5   4.494   3.132   4.150
   32    H    GLY   6           H        GLY   6   3.121   0.827   4.054
   33    HA2  GLY   6           1HA      GLY   6   4.010  -1.108   4.925
   34    HA3  GLY   6           2HA      GLY   6   3.855  -0.412   6.526
   35    H    GLU   7           H        GLU   7   0.987  -0.388   4.651
   36    HA   GLU   7           HA       GLU   7  -0.091  -2.561   6.332
   37    HB2  GLU   7           1HB      GLU   7  -1.564  -0.435   4.764
   38    HB3  GLU   7           2HB      GLU   7  -2.289  -1.615   5.853
   39    HG2  GLU   7           1HG      GLU   7  -0.212   0.428   6.681
   40    HG3  GLU   7           2HG      GLU   7  -1.945   0.606   6.942
   41    H    VAL   8           H        VAL   8  -1.397  -4.181   5.415
   42    HA   VAL   8           HA       VAL   8  -0.439  -5.278   3.035
   43    HB   VAL   8           HB       VAL   8  -3.004  -5.803   4.537
   44   HG11  VAL   8          1HG1      VAL   8  -1.823  -7.027   2.065
   45   HG12  VAL   8          2HG1      VAL   8  -3.512  -6.685   2.443
   46   HG13  VAL   8          3HG1      VAL   8  -2.699  -8.055   3.200
   47   HG21  VAL   8          3HG2      VAL   8  -1.824  -7.550   5.588
   48   HG22  VAL   8          1HG2      VAL   8  -0.636  -6.247   5.528
   49   HG23  VAL   8          2HG2      VAL   8  -0.562  -7.561   4.355
   50    H    CYS   9           H        CYS   9  -1.015  -5.160   0.934
   51    HA   CYS   9           HA       CYS   9  -3.462  -3.643   0.251
   52    HB2  CYS   9           2HB      CYS   9  -2.210  -2.467  -1.519
   53    HB3  CYS   9           1HB      CYS   9  -1.574  -2.094   0.086
   54    H    SER  10           H        SER  10  -4.009  -3.908  -2.097
   55    HA   SER  10           HA       SER  10  -4.604  -5.235  -3.860
   56    HB2  SER  10           1HB      SER  10  -1.892  -6.437  -3.316
   57    HB3  SER  10           2HB      SER  10  -2.928  -6.955  -4.637
   58    HG   SER  10           HG       SER  10  -3.002  -4.512  -5.015
   59    H    TRP  11           H        TRP  11  -3.760  -6.712  -0.839
   60    HA   TRP  11           HA       TRP  11  -4.894  -9.282  -1.436
   61    HB2  TRP  11           2HB      TRP  11  -3.315  -8.164   0.614
   62    HB3  TRP  11           1HB      TRP  11  -4.794  -8.701   1.391
   63    HD1  TRP  11           1HD      TRP  11  -1.570 -10.005   0.823
   64    HE1  TRP  11           1HE      TRP  11  -1.563 -12.570   0.532
   65    HE3  TRP  11           3HE      TRP  11  -6.512 -10.786  -0.122
   66    HZ2  TRP  11           2HZ      TRP  11  -3.423 -14.677  -0.034
   67    HZ3  TRP  11           3HZ      TRP  11  -7.379 -13.073  -0.537
   68    HH2  TRP  11           2HH      TRP  11  -5.839 -15.019  -0.494
   69    H    GLY  12           H        GLY  12  -6.618  -7.171  -2.140
   70    HA2  GLY  12           1HA      GLY  12  -8.985  -7.113  -2.096
   71    HA3  GLY  12           2HA      GLY  12  -8.956  -7.866  -0.505
   72    H    LYS  13           H        LYS  13  -6.672  -5.421  -0.654
   73    HA   LYS  13           HA       LYS  13  -8.562  -3.404   0.404
   74    HB2  LYS  13           1HB      LYS  13  -5.838  -4.126   1.509
   75    HB3  LYS  13           2HB      LYS  13  -6.810  -2.753   2.039
   76    HG2  LYS  13           1HG      LYS  13  -8.633  -4.298   2.684
   77    HG3  LYS  13           2HG      LYS  13  -7.642  -5.667   2.181
   78    HD2  LYS  13           1HD      LYS  13  -5.933  -5.054   3.849
   79    HD3  LYS  13           2HD      LYS  13  -6.912  -3.675   4.351
   80    HE2  LYS  13           1HE      LYS  13  -7.280  -5.538   5.892
   81    HE3  LYS  13           2HE      LYS  13  -8.749  -5.245   4.962
   82    HZ1  LYS  13           3HZ      LYS  13  -6.726  -7.214   4.087
   83    HZ2  LYS  13           1HZ      LYS  13  -8.351  -7.089   3.616
   84    HZ3  LYS  13           2HZ      LYS  13  -7.960  -7.633   5.178
   85    H    LYS  14           H        LYS  14  -8.028  -1.237   0.001
   86    HA   LYS  14           HA       LYS  14  -6.012  -0.852  -2.128
   87    HB2  LYS  14           1HB      LYS  14  -8.491   0.754  -1.455
   88    HB3  LYS  14           2HB      LYS  14  -7.331   1.162  -2.719
   89    HG2  LYS  14           1HG      LYS  14  -7.780  -0.982  -3.842
   90    HG3  LYS  14           2HG      LYS  14  -8.931  -1.412  -2.577
   91    HD2  LYS  14           1HD      LYS  14 -10.305   0.559  -3.162
   92    HD3  LYS  14           2HD      LYS  14  -9.157   0.976  -4.436
   93    HE2  LYS  14           1HE      LYS  14  -9.607  -1.180  -5.551
   94    HE3  LYS  14           2HE      LYS  14 -10.754  -1.599  -4.277
   95    HZ1  LYS  14           3HZ      LYS  14 -11.352   0.961  -5.296
   96    HZ2  LYS  14           1HZ      LYS  14 -12.316  -0.435  -5.300
   97    HZ3  LYS  14           2HZ      LYS  14 -11.245  -0.141  -6.585
   98    H    CYS  15           H        CYS  15  -4.413   0.533  -1.855
   99    HA   CYS  15           HA       CYS  15  -3.788   1.447   0.766
  100    HB2  CYS  15           2HB      CYS  15  -2.255   0.773  -1.255
  101    HB3  CYS  15           1HB      CYS  15  -2.428   2.467  -1.688
  102    H    CYS  16           H        CYS  16  -3.869   3.495   1.624
  103    HA   CYS  16           HA       CYS  16  -5.901   5.223   0.811
  104    HB2  CYS  16           2HB      CYS  16  -3.497   5.629   2.584
  105    HB3  CYS  16           1HB      CYS  16  -4.759   6.838   2.400
  106    H    ASP  17           H        ASP  17  -2.417   5.404   0.220
  107    HA   ASP  17           HA       ASP  17  -2.943   7.531  -1.777
  108    HB2  ASP  17           1HB      ASP  17  -0.663   7.231   0.172
  109    HB3  ASP  17           2HB      ASP  17  -0.541   8.245  -1.264
  110    H    LEU  18           H        LEU  18  -3.196   5.764  -3.301
  111    HA   LEU  18           HA       LEU  18  -1.079   3.937  -3.856
  112    HB2  LEU  18           1HB      LEU  18  -3.427   4.868  -5.531
  113    HB3  LEU  18           2HB      LEU  18  -2.362   3.533  -5.967
  114    HG   LEU  18           HG       LEU  18  -3.739   3.552  -3.284
  115   HD11  LEU  18          1HD1      LEU  18  -4.889   2.873  -5.987
  116   HD12  LEU  18          2HD1      LEU  18  -5.629   3.786  -4.670
  117   HD13  LEU  18          3HD1      LEU  18  -5.449   2.037  -4.538
  118   HD21  LEU  18          3HD2      LEU  18  -3.480   1.148  -3.458
  119   HD22  LEU  18          1HD2      LEU  18  -1.926   1.859  -3.869
  120   HD23  LEU  18          2HD2      LEU  18  -2.986   1.272  -5.145
  121    H    ASP  19           H        ASP  19  -1.523   7.241  -4.520
  122    HA   ASP  19           HA       ASP  19  -0.062   7.377  -6.990
  123    HB2  ASP  19           1HB      ASP  19  -0.851   9.458  -4.943
  124    HB3  ASP  19           2HB      ASP  19   0.008   9.843  -6.433
  125    H    ASN  20           H        ASN  20   0.739   7.748  -3.564
  126    HA   ASN  20           HA       ASN  20   3.570   8.196  -4.283
  127    HB2  ASN  20           1HB      ASN  20   2.135   8.543  -1.645
  128    HB3  ASN  20           2HB      ASN  20   3.829   8.885  -1.925
  129   HD21  ASN  20          1HD2      ASN  20   1.217  11.750  -2.613
  130   HD22  ASN  20          2HD2      ASN  20   0.979  10.429  -1.581
  131    H    PHE  21           H        PHE  21   1.405   5.878  -2.911
  132    HA   PHE  21           HA       PHE  21   3.718   4.225  -2.104
  133    HB2  PHE  21           2HB      PHE  21   0.857   4.144  -1.128
  134    HB3  PHE  21           1HB      PHE  21   2.114   3.004  -0.660
  135    HD1  PHE  21           1HD      PHE  21   1.385   6.664  -0.764
  136    HD2  PHE  21           2HD      PHE  21   3.516   3.486   1.166
  137    HE1  PHE  21           1HE      PHE  21   2.116   8.238   1.002
  138    HE2  PHE  21           2HE      PHE  21   4.258   5.066   2.934
  139    HZ   PHE  21           HZ       PHE  21   3.558   7.437   2.851
  140    H    TYR  22           H        TYR  22   3.851   2.145  -2.834
  141    HA   TYR  22           HA       TYR  22   1.925   1.404  -4.954
  142    HB2  TYR  22           2HB      TYR  22   3.702   0.383  -6.150
  143    HB3  TYR  22           1HB      TYR  22   4.309   1.949  -5.643
  144    HD1  TYR  22           1HD      TYR  22   4.496  -1.698  -5.049
  145    HD2  TYR  22           2HD      TYR  22   6.004   2.162  -3.983
  146    HE1  TYR  22           1HE      TYR  22   6.459  -2.738  -4.048
  147    HE2  TYR  22           2HE      TYR  22   7.959   1.130  -2.956
  148    HH   TYR  22           HH       TYR  22   8.347  -2.428  -2.890
  149    H    CYS  23           H        CYS  23   1.673  -0.922  -5.276
  150    HA   CYS  23           HA       CYS  23   1.712  -2.315  -2.699
  151    HB2  CYS  23           2HB      CYS  23  -0.489  -1.912  -3.875
  152    HB3  CYS  23           1HB      CYS  23   0.074  -3.030  -5.118
  153    HA   PRO  24           HA       PRO  24   5.143  -4.576  -4.731
  154    HB2  PRO  24           2HB      PRO  24   4.757  -6.257  -2.303
  155    HB3  PRO  24           1HB      PRO  24   6.245  -5.580  -2.975
  156    HG2  PRO  24           2HG      PRO  24   5.106  -4.547  -0.825
  157    HG3  PRO  24           1HG      PRO  24   5.917  -3.538  -2.010
  158    HD2  PRO  24           2HD      PRO  24   3.013  -3.870  -1.483
  159    HD3  PRO  24           1HD      PRO  24   3.904  -2.471  -2.102
  160    H    MET  25           H        MET  25   5.479  -6.794  -5.460
  161    HA   MET  25           HA       MET  25   2.926  -8.219  -5.904
  162    HB2  MET  25           1HB      MET  25   5.489  -8.186  -7.511
  163    HB3  MET  25           2HB      MET  25   4.110  -9.227  -7.862
  164    HG2  MET  25           1HG      MET  25   2.669  -7.252  -8.129
  165    HG3  MET  25           2HG      MET  25   4.031  -6.199  -7.748
  166    HE1  MET  25           3HE      MET  25   3.891  -4.966 -10.780
  167    HE2  MET  25           1HE      MET  25   2.592  -5.465  -9.688
  168    HE3  MET  25           2HE      MET  25   2.651  -6.087 -11.335
  169    H    GLU  26           H        GLU  26   3.647  -8.917  -3.535
  170    HA   GLU  26           HA       GLU  26   5.102 -11.470  -3.816
  171    HB2  GLU  26           1HB      GLU  26   5.206  -9.496  -1.525
  172    HB3  GLU  26           2HB      GLU  26   5.865 -11.132  -1.456
  173    HG2  GLU  26           1HG      GLU  26   7.346 -10.634  -3.351
  174    HG3  GLU  26           2HG      GLU  26   6.676  -9.006  -3.460
  175    H    PHE  27           H        PHE  27   4.643 -12.570  -1.425
  176    HA   PHE  27           HA       PHE  27   2.010 -13.545  -1.608
  177    HB2  PHE  27           2HB      PHE  27   3.860 -14.800  -0.555
  178    HB3  PHE  27           1HB      PHE  27   3.874 -13.642   0.776
  179    HD1  PHE  27           1HD      PHE  27   1.547 -15.903  -1.089
  180    HD2  PHE  27           2HD      PHE  27   2.517 -14.035   2.654
  181    HE1  PHE  27           1HE      PHE  27  -0.275 -17.171   0.015
  182    HE2  PHE  27           2HE      PHE  27   0.693 -15.301   3.758
  183    HZ   PHE  27           HZ       PHE  27  -0.703 -16.869   2.438
  184    H    ILE  28           H        ILE  28   3.472 -11.214   0.649
  185    HA   ILE  28           HA       ILE  28   0.764 -10.201   1.249
  186    HB   ILE  28           HB       ILE  28   1.733  -9.706   3.579
  187   HG12  ILE  28          1HG1      ILE  28   3.592 -11.964   2.773
  188   HG13  ILE  28          2HG1      ILE  28   4.095 -10.278   2.840
  189   HG21  ILE  28          1HG2      ILE  28   0.081 -11.299   3.699
  190   HG22  ILE  28          2HG2      ILE  28   1.451 -12.343   4.078
  191   HG23  ILE  28          3HG2      ILE  28   0.807 -12.296   2.438
  192   HD11  ILE  28          3HD1      ILE  28   3.915 -12.163   4.989
  193   HD12  ILE  28          1HD1      ILE  28   2.757 -10.870   5.292
  194   HD13  ILE  28          2HD1      ILE  28   4.460 -10.486   5.050
  195    HA   PRO  29           HA       PRO  29   3.574  -6.837  -0.396
  196    HB2  PRO  29           2HB      PRO  29   0.880  -5.948  -1.282
  197    HB3  PRO  29           1HB      PRO  29   2.404  -5.973  -2.179
  198    HG2  PRO  29           2HG      PRO  29   0.508  -7.732  -2.678
  199    HG3  PRO  29           1HG      PRO  29   2.210  -8.236  -2.661
  200    HD2  PRO  29           2HD      PRO  29   0.092  -8.650  -0.567
  201    HD3  PRO  29           1HD      PRO  29   1.377  -9.754  -1.100
  202    H    HIS  30           H        HIS  30   3.865  -4.812   0.490
  203    HA   HIS  30           HA       HIS  30   1.719  -3.802   2.246
  204    HB2  HIS  30           1HB      HIS  30   4.660  -3.883   2.947
  205    HB3  HIS  30           2HB      HIS  30   3.412  -3.054   3.872
  206    HD1  HIS  30           HD1      HIS  30   4.705  -6.474   3.073
  207    HD2  HIS  30           HD2      HIS  30   1.588  -4.757   5.248
  208    HE1  HIS  30           HE1      HIS  30   3.728  -8.323   4.505
  209    H    CYS  31           H        CYS  31   1.330  -1.672   2.152
  210    HA   CYS  31           HA       CYS  31   2.033  -0.175  -0.073
  211    HB2  CYS  31           2HB      CYS  31   1.140   0.648   2.680
  212    HB3  CYS  31           1HB      CYS  31   1.387   1.824   1.400
  213    H    LYS  32           H        LYS  32   3.826   0.869  -0.688
  214    HA   LYS  32           HA       LYS  32   5.741   1.729   1.390
  215    HB2  LYS  32           1HB      LYS  32   6.544  -0.411   0.586
  216    HB3  LYS  32           2HB      LYS  32   6.391   0.114  -1.071
  217    HG2  LYS  32           1HG      LYS  32   8.736   0.251  -0.314
  218    HG3  LYS  32           2HG      LYS  32   8.113   1.848  -0.698
  219    HD2  LYS  32           1HD      LYS  32   7.935   2.469   1.563
  220    HD3  LYS  32           2HD      LYS  32   7.941   0.795   2.121
  221    HE2  LYS  32           1HE      LYS  32  10.297   2.194   0.822
  222    HE3  LYS  32           2HE      LYS  32  10.103   1.962   2.560
  223    HZ1  LYS  32           3HZ      LYS  32  10.672  -0.012   0.470
  224    HZ2  LYS  32           1HZ      LYS  32   9.769  -0.511   1.817
  225    HZ3  LYS  32           2HZ      LYS  32  11.325   0.132   2.031
  226    H    LYS  33           H        LYS  33   6.448   3.747   1.090
  227    HA   LYS  33           HA       LYS  33   5.517   5.310  -1.093
  228    HB2  LYS  33           1HB      LYS  33   5.890   6.271   1.135
  229    HB3  LYS  33           2HB      LYS  33   7.619   5.973   0.969
  230    HG2  LYS  33           1HG      LYS  33   7.752   7.479  -0.935
  231    HG3  LYS  33           2HG      LYS  33   6.000   7.684  -0.937
  232    HD2  LYS  33           1HD      LYS  33   7.398   8.283   1.618
  233    HD3  LYS  33           2HD      LYS  33   7.670   9.414   0.292
  234    HE2  LYS  33           1HE      LYS  33   5.238   9.683   0.009
  235    HE3  LYS  33           2HE      LYS  33   4.953   8.541   1.321
  236    HZ1  LYS  33           3HZ      LYS  33   6.760  10.669   2.009
  237    HZ2  LYS  33           1HZ      LYS  33   5.413  10.078   2.851
  238    HZ3  LYS  33           2HZ      LYS  33   5.202  11.216   1.608
  239    H    TYR  34           H        TYR  34   6.443   5.841  -2.977
  240    HA   TYR  34           HA       TYR  34   9.302   5.425  -3.390
  241    HB2  TYR  34           2HB      TYR  34   9.056   4.005  -5.246
  242    HB3  TYR  34           1HB      TYR  34   8.009   3.327  -4.018
  243    HD1  TYR  34           1HD      TYR  34   8.189   4.172  -7.387
  244    HD2  TYR  34           2HD      TYR  34   5.504   4.482  -4.031
  245    HE1  TYR  34           1HE      TYR  34   6.272   4.387  -8.932
  246    HE2  TYR  34           2HE      TYR  34   3.595   4.663  -5.590
  247    HH   TYR  34           HH       TYR  34   3.771   3.904  -8.830
  248    H    LYS  35           H        LYS  35   9.495   5.874  -6.021
  249    HA   LYS  35           HA       LYS  35   8.624   8.647  -6.222
  250    HB2  LYS  35           1HB      LYS  35  10.607   7.030  -7.819
  251    HB3  LYS  35           2HB      LYS  35  10.258   8.734  -8.099
  252    HG2  LYS  35           1HG      LYS  35  12.247   8.548  -6.698
  253    HG3  LYS  35           2HG      LYS  35  10.925   9.222  -5.749
  254    HD2  LYS  35           1HD      LYS  35  10.714   7.337  -4.439
  255    HD3  LYS  35           2HD      LYS  35  11.258   6.240  -5.711
  256    HE2  LYS  35           1HE      LYS  35  13.564   7.064  -5.432
  257    HE3  LYS  35           2HE      LYS  35  13.020   8.194  -4.192
  258    HZ1  LYS  35           3HZ      LYS  35  12.129   6.147  -3.015
  259    HZ2  LYS  35           1HZ      LYS  35  13.812   6.353  -3.026
  260    HZ3  LYS  35           2HZ      LYS  35  13.088   5.240  -4.084
  261    HA   PRO  36           HA       PRO  36   5.543   6.990  -9.151
  262    HB2  PRO  36           2HB      PRO  36   4.046   9.233  -9.446
  263    HB3  PRO  36           1HB      PRO  36   3.939   8.200  -8.007
  264    HG2  PRO  36           2HG      PRO  36   5.370  10.783  -8.381
  265    HG3  PRO  36           1HG      PRO  36   4.446  10.192  -6.990
  266    HD2  PRO  36           2HD      PRO  36   7.189  10.144  -7.135
  267    HD3  PRO  36           1HD      PRO  36   6.235   9.030  -6.125
  268    H    TYR  37           H        TYR  37   5.040   7.280 -11.377
  269    HA   TYR  37           HA       TYR  37   6.400   9.410 -12.835
  270    HB2  TYR  37           2HB      TYR  37   7.506   7.772 -14.337
  271    HB3  TYR  37           1HB      TYR  37   8.110   7.684 -12.685
  272    HD1  TYR  37           1HD      TYR  37   6.055   6.003 -15.251
  273    HD2  TYR  37           2HD      TYR  37   7.590   5.799 -11.245
  274    HE1  TYR  37           1HE      TYR  37   5.421   3.607 -15.129
  275    HE2  TYR  37           2HE      TYR  37   6.955   3.407 -11.120
  276    HH   TYR  37           HH       TYR  37   6.487   1.507 -13.476
  277    H    VAL  38           H        VAL  38   5.541   9.802 -14.869
  278    HA   VAL  38           HA       VAL  38   2.963   8.493 -15.396
  279    HB   VAL  38           HB       VAL  38   3.717  10.834 -17.025
  280   HG11  VAL  38          1HG1      VAL  38   1.301  10.468 -15.261
  281   HG12  VAL  38          2HG1      VAL  38   1.446   9.600 -16.789
  282   HG13  VAL  38          3HG1      VAL  38   1.436  11.363 -16.773
  283   HG21  VAL  38          3HG2      VAL  38   4.738  11.601 -14.995
  284   HG22  VAL  38          1HG2      VAL  38   3.413  10.979 -14.016
  285   HG23  VAL  38          2HG2      VAL  38   3.153  12.367 -15.073
  286    HA   PRO  39           HA       PRO  39   5.230   8.070 -19.539
  287    HB2  PRO  39           2HB      PRO  39   7.859   8.632 -19.755
  288    HB3  PRO  39           1HB      PRO  39   6.616   9.895 -19.840
  289    HG2  PRO  39           2HG      PRO  39   8.433   9.174 -17.607
  290    HG3  PRO  39           1HG      PRO  39   7.833  10.760 -18.115
  291    HD2  PRO  39           2HD      PRO  39   6.825   9.240 -16.002
  292    HD3  PRO  39           1HD      PRO  39   5.997  10.608 -16.769
  293    H    VAL  40           H        VAL  40   6.436   6.322 -20.518
  294    HA   VAL  40           HA       VAL  40   6.676   4.036 -18.894
  295    HB   VAL  40           HB       VAL  40   7.708   4.633 -21.675
  296   HG11  VAL  40          1HG1      VAL  40   9.077   2.848 -21.112
  297   HG12  VAL  40          2HG1      VAL  40   7.643   1.979 -21.658
  298   HG13  VAL  40          3HG1      VAL  40   7.931   2.205 -19.934
  299   HG21  VAL  40          3HG2      VAL  40   5.265   4.620 -21.439
  300   HG22  VAL  40          1HG2      VAL  40   5.336   3.064 -20.612
  301   HG23  VAL  40          2HG2      VAL  40   5.789   3.179 -22.312
  302    H    THR  41           H        THR  41   9.135   6.204 -20.260
  303    HA   THR  41           HA       THR  41  11.336   6.553 -19.710
  304    HB   THR  41           HB       THR  41  10.819   5.156 -17.094
  305    HG1  THR  41           1HG      THR  41   9.075   6.542 -17.463
  306   HG21  THR  41          3HG2      THR  41  12.372   6.853 -16.267
  307   HG22  THR  41          1HG2      THR  41  12.421   7.611 -17.858
  308   HG23  THR  41          2HG2      THR  41  13.093   5.997 -17.630
  309    H    THR  42           H        THR  42  11.280   4.618 -21.399
  310    HA   THR  42           HA       THR  42  11.880   2.009 -20.778
  311    HB   THR  42           HB       THR  42  13.089   3.711 -22.970
  312    HG1  THR  42           1HG      THR  42  11.401   2.342 -24.090
  313   HG21  THR  42          3HG2      THR  42  13.105   0.746 -22.426
  314   HG22  THR  42          1HG2      THR  42  14.461   1.792 -22.841
  315   HG23  THR  42          2HG2      THR  42  13.261   1.377 -24.065
  Start of MODEL   13
    1    HA   ASP   1           HA       ASP   1 -10.658   0.958   6.848
    2    HB2  ASP   1           1HB      ASP   1 -11.933  -1.198   6.845
    3    HB3  ASP   1           2HB      ASP   1 -11.517  -1.401   5.146
    4    H    CYS   2           H        CYS   2  -8.592   1.091   6.023
    5    HA   CYS   2           HA       CYS   2  -8.162   0.978   3.139
    6    HB2  CYS   2           2HB      CYS   2  -8.762   3.271   3.301
    7    HB3  CYS   2           1HB      CYS   2  -7.796   3.488   4.764
    8    H    ALA   3           H        ALA   3  -5.953   0.900   2.538
    9    HA   ALA   3           HA       ALA   3  -4.284  -0.240   4.631
   10    HB1  ALA   3           3HB      ALA   3  -3.647  -1.528   2.927
   11    HB2  ALA   3           1HB      ALA   3  -2.845  -0.133   2.220
   12    HB3  ALA   3           2HB      ALA   3  -4.509  -0.516   1.777
   13    H    LYS   4           H        LYS   4  -2.985   0.998   5.795
   14    HA   LYS   4           HA       LYS   4  -2.186   3.646   4.840
   15    HB2  LYS   4           1HB      LYS   4  -1.675   2.260   7.490
   16    HB3  LYS   4           2HB      LYS   4  -1.327   3.948   7.119
   17    HG2  LYS   4           1HG      LYS   4  -3.724   4.346   6.676
   18    HG3  LYS   4           2HG      LYS   4  -4.073   2.658   7.048
   19    HD2  LYS   4           1HD      LYS   4  -4.515   3.647   9.105
   20    HD3  LYS   4           2HD      LYS   4  -2.815   3.223   9.300
   21    HE2  LYS   4           1HE      LYS   4  -3.123   5.520  10.028
   22    HE3  LYS   4           2HE      LYS   4  -2.208   5.534   8.525
   23    HZ1  LYS   4           3HZ      LYS   4  -4.055   7.157   8.595
   24    HZ2  LYS   4           1HZ      LYS   4  -5.150   5.865   8.682
   25    HZ3  LYS   4           2HZ      LYS   4  -4.170   6.057   7.307
   26    H    GLU   5           H        GLU   5   0.217   4.166   5.706
   27    HA   GLU   5           HA       GLU   5   2.001   2.948   3.960
   28    HB2  GLU   5           1HB      GLU   5   2.547   5.071   4.903
   29    HB3  GLU   5           2HB      GLU   5   2.492   4.429   6.546
   30    HG2  GLU   5           1HG      GLU   5   4.466   3.131   6.212
   31    HG3  GLU   5           2HG      GLU   5   4.429   3.383   4.470
   32    H    GLY   6           H        GLY   6   3.044   1.091   3.920
   33    HA2  GLY   6           1HA      GLY   6   4.044  -0.868   4.580
   34    HA3  GLY   6           2HA      GLY   6   4.055  -0.254   6.224
   35    H    GLU   7           H        GLU   7   0.999  -0.203   4.701
   36    HA   GLU   7           HA       GLU   7   0.152  -2.460   6.385
   37    HB2  GLU   7           1HB      GLU   7  -0.993  -0.196   6.560
   38    HB3  GLU   7           2HB      GLU   7  -1.636  -0.497   4.943
   39    HG2  GLU   7           1HG      GLU   7  -2.811  -2.455   5.677
   40    HG3  GLU   7           2HG      GLU   7  -2.003  -2.426   7.244
   41    H    VAL   8           H        VAL   8  -0.864  -4.247   5.556
   42    HA   VAL   8           HA       VAL   8  -0.130  -5.139   3.047
   43    HB   VAL   8           HB       VAL   8  -2.442  -5.985   4.800
   44   HG11  VAL   8          1HG1      VAL   8  -3.157  -7.023   2.897
   45   HG12  VAL   8          2HG1      VAL   8  -1.861  -8.160   3.270
   46   HG13  VAL   8          3HG1      VAL   8  -1.591  -6.865   2.102
   47   HG21  VAL   8          3HG2      VAL   8   0.048  -6.205   5.515
   48   HG22  VAL   8          1HG2      VAL   8   0.141  -7.455   4.274
   49   HG23  VAL   8          2HG2      VAL   8  -0.973  -7.639   5.630
   50    H    CYS   9           H        CYS   9  -0.947  -4.971   1.002
   51    HA   CYS   9           HA       CYS   9  -3.622  -3.753   0.685
   52    HB2  CYS   9           2HB      CYS   9  -2.781  -2.240  -1.030
   53    HB3  CYS   9           1HB      CYS   9  -1.888  -1.973   0.467
   54    H    SER  10           H        SER  10  -4.305  -3.878  -1.669
   55    HA   SER  10           HA       SER  10  -4.574  -5.030  -3.665
   56    HB2  SER  10           1HB      SER  10  -2.523  -7.074  -2.947
   57    HB3  SER  10           2HB      SER  10  -2.934  -6.382  -4.508
   58    HG   SER  10           HG       SER  10  -2.113  -4.407  -2.958
   59    H    TRP  11           H        TRP  11  -4.283  -6.602  -0.585
   60    HA   TRP  11           HA       TRP  11  -5.616  -9.027  -1.306
   61    HB2  TRP  11           2HB      TRP  11  -4.396  -7.904   1.027
   62    HB3  TRP  11           1HB      TRP  11  -5.994  -8.480   1.468
   63    HD1  TRP  11           1HD      TRP  11  -2.682  -9.720   1.492
   64    HE1  TRP  11           1HE      TRP  11  -2.571 -12.278   1.173
   65    HE3  TRP  11           3HE      TRP  11  -7.359 -10.570  -0.337
   66    HZ2  TRP  11           2HZ      TRP  11  -4.254 -14.407   0.256
   67    HZ3  TRP  11           3HZ      TRP  11  -8.086 -12.871  -0.928
   68    HH2  TRP  11           2HH      TRP  11  -6.539 -14.789  -0.633
   69    H    GLY  12           H        GLY  12  -6.986  -6.783  -2.345
   70    HA2  GLY  12           1HA      GLY  12  -9.311  -6.512  -2.701
   71    HA3  GLY  12           2HA      GLY  12  -9.616  -7.222  -1.121
   72    H    LYS  13           H        LYS  13  -7.158  -5.127  -0.632
   73    HA   LYS  13           HA       LYS  13  -8.984  -2.906   0.078
   74    HB2  LYS  13           1HB      LYS  13  -6.446  -3.850   1.431
   75    HB3  LYS  13           2HB      LYS  13  -7.322  -2.387   1.871
   76    HG2  LYS  13           1HG      LYS  13  -9.339  -3.741   2.347
   77    HG3  LYS  13           2HG      LYS  13  -8.452  -5.203   1.919
   78    HD2  LYS  13           1HD      LYS  13  -6.825  -4.732   3.731
   79    HD3  LYS  13           2HD      LYS  13  -7.750  -3.298   4.175
   80    HE2  LYS  13           1HE      LYS  13  -8.851  -6.125   4.158
   81    HE3  LYS  13           2HE      LYS  13  -8.310  -5.265   5.599
   82    HZ1  LYS  13           3HZ      LYS  13 -10.433  -4.601   5.690
   83    HZ2  LYS  13           1HZ      LYS  13 -10.733  -4.944   4.057
   84    HZ3  LYS  13           2HZ      LYS  13  -9.979  -3.485   4.491
   85    H    LYS  14           H        LYS  14  -8.269  -0.779  -0.249
   86    HA   LYS  14           HA       LYS  14  -6.058  -0.531  -2.201
   87    HB2  LYS  14           1HB      LYS  14  -8.449   1.256  -1.685
   88    HB3  LYS  14           2HB      LYS  14  -7.171   1.589  -2.854
   89    HG2  LYS  14           1HG      LYS  14  -7.697  -0.511  -4.037
   90    HG3  LYS  14           2HG      LYS  14  -8.976  -0.848  -2.872
   91    HD2  LYS  14           1HD      LYS  14 -10.133   1.231  -3.534
   92    HD3  LYS  14           2HD      LYS  14  -8.858   1.565  -4.706
   93    HE2  LYS  14           1HE      LYS  14  -9.390  -0.533  -5.891
   94    HE3  LYS  14           2HE      LYS  14 -10.663  -0.873  -4.718
   95    HZ1  LYS  14           3HZ      LYS  14 -10.863   1.749  -5.856
   96    HZ2  LYS  14           1HZ      LYS  14 -12.043   0.540  -5.711
   97    HZ3  LYS  14           2HZ      LYS  14 -10.969   0.521  -7.027
   98    H    CYS  15           H        CYS  15  -4.354   0.701  -1.765
   99    HA   CYS  15           HA       CYS  15  -3.819   1.518   0.890
  100    HB2  CYS  15           2HB      CYS  15  -2.176   0.886  -0.999
  101    HB3  CYS  15           1HB      CYS  15  -2.379   2.551  -1.535
  102    H    CYS  16           H        CYS  16  -4.043   3.439   1.890
  103    HA   CYS  16           HA       CYS  16  -5.919   5.305   1.130
  104    HB2  CYS  16           2HB      CYS  16  -3.468   5.604   2.876
  105    HB3  CYS  16           1HB      CYS  16  -4.744   6.808   2.781
  106    H    ASP  17           H        ASP  17  -2.881   4.803  -0.258
  107    HA   ASP  17           HA       ASP  17  -3.245   7.041  -2.035
  108    HB2  ASP  17           1HB      ASP  17  -1.130   7.074   0.084
  109    HB3  ASP  17           2HB      ASP  17  -0.761   7.759  -1.496
  110    H    LEU  18           H        LEU  18  -3.337   5.356  -3.564
  111    HA   LEU  18           HA       LEU  18  -1.253   3.446  -3.910
  112    HB2  LEU  18           1HB      LEU  18  -3.454   4.450  -5.709
  113    HB3  LEU  18           2HB      LEU  18  -2.325   3.201  -6.215
  114    HG   LEU  18           HG       LEU  18  -3.932   3.010  -3.650
  115   HD11  LEU  18          1HD1      LEU  18  -5.545   3.146  -5.443
  116   HD12  LEU  18          2HD1      LEU  18  -5.406   1.452  -4.975
  117   HD13  LEU  18          3HD1      LEU  18  -4.604   2.031  -6.435
  118   HD21  LEU  18          3HD2      LEU  18  -2.183   1.154  -5.256
  119   HD22  LEU  18          1HD2      LEU  18  -3.518   0.485  -4.327
  120   HD23  LEU  18          2HD2      LEU  18  -2.247   1.389  -3.515
  121    H    ASP  19           H        ASP  19  -1.582   6.761  -4.777
  122    HA   ASP  19           HA       ASP  19   0.257   6.737  -6.982
  123    HB2  ASP  19           1HB      ASP  19  -1.484   8.487  -6.652
  124    HB3  ASP  19           2HB      ASP  19  -0.596   9.054  -5.237
  125    H    ASN  20           H        ASN  20   0.507   7.771  -3.569
  126    HA   ASN  20           HA       ASN  20   3.361   8.225  -3.823
  127    HB2  ASN  20           1HB      ASN  20   1.525   8.259  -1.423
  128    HB3  ASN  20           2HB      ASN  20   3.224   8.686  -1.373
  129   HD21  ASN  20          1HD2      ASN  20   0.522  11.397  -2.493
  130   HD22  ASN  20          2HD2      ASN  20   0.118   9.919  -1.777
  131    H    PHE  21           H        PHE  21   1.272   5.634  -2.861
  132    HA   PHE  21           HA       PHE  21   3.628   4.083  -1.999
  133    HB2  PHE  21           2HB      PHE  21   0.756   3.758  -1.113
  134    HB3  PHE  21           1HB      PHE  21   2.114   2.768  -0.591
  135    HD1  PHE  21           1HD      PHE  21   0.895   6.274  -0.692
  136    HD2  PHE  21           2HD      PHE  21   3.470   3.464   1.258
  137    HE1  PHE  21           1HE      PHE  21   1.331   7.927   1.088
  138    HE2  PHE  21           2HE      PHE  21   3.917   5.118   3.030
  139    HZ   PHE  21           HZ       PHE  21   2.844   7.347   2.957
  140    H    TYR  22           H        TYR  22   3.618   1.823  -2.546
  141    HA   TYR  22           HA       TYR  22   1.818   1.110  -4.778
  142    HB2  TYR  22           2HB      TYR  22   3.647   0.218  -6.035
  143    HB3  TYR  22           1HB      TYR  22   4.127   1.829  -5.542
  144    HD1  TYR  22           1HD      TYR  22   4.507  -1.787  -4.664
  145    HD2  TYR  22           2HD      TYR  22   5.982   2.199  -4.192
  146    HE1  TYR  22           1HE      TYR  22   6.550  -2.650  -3.703
  147    HE2  TYR  22           2HE      TYR  22   8.019   1.324  -3.182
  148    HH   TYR  22           HH       TYR  22   9.296  -0.586  -2.961
  149    H    CYS  23           H        CYS  23   1.718  -1.231  -5.169
  150    HA   CYS  23           HA       CYS  23   1.894  -2.688  -2.639
  151    HB2  CYS  23           2HB      CYS  23   0.231  -3.112  -5.110
  152    HB3  CYS  23           1HB      CYS  23   0.365  -4.309  -3.825
  153    HA   PRO  24           HA       PRO  24   5.600  -4.627  -4.554
  154    HB2  PRO  24           2HB      PRO  24   5.135  -6.413  -2.207
  155    HB3  PRO  24           1HB      PRO  24   6.630  -5.647  -2.758
  156    HG2  PRO  24           2HG      PRO  24   5.285  -4.738  -0.665
  157    HG3  PRO  24           1HG      PRO  24   6.152  -3.669  -1.749
  158    HD2  PRO  24           2HD      PRO  24   3.243  -4.088  -1.455
  159    HD3  PRO  24           1HD      PRO  24   4.122  -2.662  -2.021
  160    H    MET  25           H        MET  25   6.054  -6.671  -5.502
  161    HA   MET  25           HA       MET  25   3.667  -8.116  -6.342
  162    HB2  MET  25           1HB      MET  25   5.211  -9.246  -7.915
  163    HB3  MET  25           2HB      MET  25   5.283  -7.490  -8.047
  164    HG2  MET  25           1HG      MET  25   7.296  -7.446  -6.636
  165    HG3  MET  25           2HG      MET  25   7.221  -9.196  -6.454
  166    HE1  MET  25           3HE      MET  25   8.038 -10.844  -7.906
  167    HE2  MET  25           1HE      MET  25   8.370 -10.712  -9.637
  168    HE3  MET  25           2HE      MET  25   6.715 -10.601  -9.045
  169    H    GLU  26           H        GLU  26   4.226  -8.523  -3.633
  170    HA   GLU  26           HA       GLU  26   5.263 -11.278  -3.561
  171    HB2  GLU  26           1HB      GLU  26   5.056  -9.180  -1.389
  172    HB3  GLU  26           2HB      GLU  26   5.529 -10.857  -1.111
  173    HG2  GLU  26           1HG      GLU  26   7.426 -10.604  -2.642
  174    HG3  GLU  26           2HG      GLU  26   6.943  -8.946  -2.992
  175    H    PHE  27           H        PHE  27   4.208 -12.486  -1.654
  176    HA   PHE  27           HA       PHE  27   1.436 -12.785  -2.257
  177    HB2  PHE  27           2HB      PHE  27   1.688 -14.272  -0.035
  178    HB3  PHE  27           1HB      PHE  27   2.262 -14.815  -1.611
  179    HD1  PHE  27           1HD      PHE  27   3.226 -13.796   1.745
  180    HD2  PHE  27           2HD      PHE  27   4.676 -14.489  -2.237
  181    HE1  PHE  27           1HE      PHE  27   5.553 -13.881   2.604
  182    HE2  PHE  27           2HE      PHE  27   6.999 -14.578  -1.380
  183    HZ   PHE  27           HZ       PHE  27   7.439 -14.275   1.040
  184    H    ILE  28           H        ILE  28   3.117 -10.709  -0.174
  185    HA   ILE  28           HA       ILE  28   0.589  -9.878   1.060
  186    HB   ILE  28           HB       ILE  28   1.894  -9.520   3.212
  187   HG12  ILE  28          1HG1      ILE  28   3.756 -11.539   1.940
  188   HG13  ILE  28          2HG1      ILE  28   4.145  -9.837   2.110
  189   HG21  ILE  28          1HG2      ILE  28   1.632 -11.910   3.883
  190   HG22  ILE  28          2HG2      ILE  28   1.418 -12.331   2.182
  191   HG23  ILE  28          3HG2      ILE  28   0.239 -11.297   2.991
  192   HD11  ILE  28          3HD1      ILE  28   4.476 -11.891   4.040
  193   HD12  ILE  28          1HD1      ILE  28   3.206 -10.824   4.637
  194   HD13  ILE  28          2HD1      ILE  28   4.793 -10.167   4.237
  195    HA   PRO  29           HA       PRO  29   3.198  -6.470  -0.852
  196    HB2  PRO  29           2HB      PRO  29   0.473  -5.579  -1.628
  197    HB3  PRO  29           1HB      PRO  29   1.944  -5.678  -2.608
  198    HG2  PRO  29           2HG      PRO  29  -0.045  -7.410  -2.916
  199    HG3  PRO  29           1HG      PRO  29   1.649  -7.928  -3.048
  200    HD2  PRO  29           2HD      PRO  29  -0.275  -8.306  -0.770
  201    HD3  PRO  29           1HD      PRO  29   0.951  -9.427  -1.399
  202    H    HIS  30           H        HIS  30   3.619  -4.604   0.237
  203    HA   HIS  30           HA       HIS  30   1.518  -3.593   2.077
  204    HB2  HIS  30           1HB      HIS  30   4.501  -3.696   2.548
  205    HB3  HIS  30           2HB      HIS  30   3.349  -2.873   3.587
  206    HD1  HIS  30           HD1      HIS  30   4.450  -6.300   2.522
  207    HD2  HIS  30           HD2      HIS  30   1.744  -4.583   5.181
  208    HE1  HIS  30           HE1      HIS  30   3.624  -8.169   4.014
  209    H    CYS  31           H        CYS  31   1.476  -1.334   2.394
  210    HA   CYS  31           HA       CYS  31   1.995   0.196   0.051
  211    HB2  CYS  31           2HB      CYS  31   1.293   0.990   2.873
  212    HB3  CYS  31           1HB      CYS  31   1.416   2.147   1.560
  213    H    LYS  32           H        LYS  32   3.967   0.747  -0.634
  214    HA   LYS  32           HA       LYS  32   5.951   1.688   1.379
  215    HB2  LYS  32           1HB      LYS  32   6.436   0.218  -1.196
  216    HB3  LYS  32           2HB      LYS  32   7.705   0.856  -0.166
  217    HG2  LYS  32           1HG      LYS  32   5.676  -1.261   0.564
  218    HG3  LYS  32           2HG      LYS  32   7.373  -1.543   0.204
  219    HD2  LYS  32           1HD      LYS  32   7.734   0.283   2.110
  220    HD3  LYS  32           2HD      LYS  32   6.146  -0.279   2.629
  221    HE2  LYS  32           1HE      LYS  32   8.572  -2.039   2.164
  222    HE3  LYS  32           2HE      LYS  32   7.948  -1.551   3.739
  223    HZ1  LYS  32           3HZ      LYS  32   5.907  -2.660   2.103
  224    HZ2  LYS  32           1HZ      LYS  32   6.406  -3.121   3.656
  225    HZ3  LYS  32           2HZ      LYS  32   7.197  -3.748   2.289
  226    H    LYS  33           H        LYS  33   6.880   3.637   1.027
  227    HA   LYS  33           HA       LYS  33   5.809   5.379  -0.948
  228    HB2  LYS  33           1HB      LYS  33   8.151   5.641   0.938
  229    HB3  LYS  33           2HB      LYS  33   7.626   6.937  -0.139
  230    HG2  LYS  33           1HG      LYS  33   5.386   6.891   0.870
  231    HG3  LYS  33           2HG      LYS  33   5.886   5.565   1.920
  232    HD2  LYS  33           1HD      LYS  33   7.582   6.988   2.964
  233    HD3  LYS  33           2HD      LYS  33   7.153   8.317   1.885
  234    HE2  LYS  33           1HE      LYS  33   4.894   8.376   2.805
  235    HE3  LYS  33           2HE      LYS  33   5.254   7.001   3.848
  236    HZ1  LYS  33           3HZ      LYS  33   6.630   9.636   3.918
  237    HZ2  LYS  33           1HZ      LYS  33   6.962   8.323   4.936
  238    HZ3  LYS  33           2HZ      LYS  33   5.459   9.111   5.029
  239    H    TYR  34           H        TYR  34   6.564   6.066  -2.848
  240    HA   TYR  34           HA       TYR  34   9.246   5.569  -3.749
  241    HB2  TYR  34           2HB      TYR  34   8.795   4.065  -5.464
  242    HB3  TYR  34           1HB      TYR  34   7.933   3.424  -4.090
  243    HD1  TYR  34           1HD      TYR  34   7.641   3.837  -7.454
  244    HD2  TYR  34           2HD      TYR  34   5.424   4.772  -3.880
  245    HE1  TYR  34           1HE      TYR  34   5.551   3.930  -8.761
  246    HE2  TYR  34           2HE      TYR  34   3.345   4.857  -5.202
  247    HH   TYR  34           HH       TYR  34   3.143   3.719  -8.419
  248    H    LYS  35           H        LYS  35   9.382   6.177  -6.168
  249    HA   LYS  35           HA       LYS  35   7.797   8.635  -6.548
  250    HB2  LYS  35           1HB      LYS  35   9.799   9.186  -8.116
  251    HB3  LYS  35           2HB      LYS  35   9.983   9.365  -6.377
  252    HG2  LYS  35           1HG      LYS  35  10.668   6.731  -7.641
  253    HG3  LYS  35           2HG      LYS  35  11.806   8.066  -7.794
  254    HD2  LYS  35           1HD      LYS  35  11.738   8.323  -5.284
  255    HD3  LYS  35           2HD      LYS  35  10.776   6.845  -5.206
  256    HE2  LYS  35           1HE      LYS  35  12.569   5.601  -6.329
  257    HE3  LYS  35           2HE      LYS  35  13.535   7.073  -6.432
  258    HZ1  LYS  35           3HZ      LYS  35  12.666   5.650  -3.983
  259    HZ2  LYS  35           1HZ      LYS  35  13.338   7.207  -3.961
  260    HZ3  LYS  35           2HZ      LYS  35  14.256   5.896  -4.531
  261    HA   PRO  36           HA       PRO  36   6.542   6.006 -10.099
  262    HB2  PRO  36           2HB      PRO  36   4.086   7.092 -10.505
  263    HB3  PRO  36           1HB      PRO  36   4.396   5.896  -9.235
  264    HG2  PRO  36           2HG      PRO  36   4.104   8.843  -9.030
  265    HG3  PRO  36           1HG      PRO  36   3.557   7.571  -7.926
  266    HD2  PRO  36           2HD      PRO  36   5.824   9.104  -7.540
  267    HD3  PRO  36           1HD      PRO  36   5.564   7.503  -6.810
  268    H    TYR  37           H        TYR  37   6.387   6.407 -12.331
  269    HA   TYR  37           HA       TYR  37   6.484   9.193 -13.248
  270    HB2  TYR  37           2HB      TYR  37   8.445   8.626 -14.707
  271    HB3  TYR  37           1HB      TYR  37   8.821   8.660 -12.986
  272    HD1  TYR  37           1HD      TYR  37   8.280   6.488 -15.924
  273    HD2  TYR  37           2HD      TYR  37   9.312   6.628 -11.757
  274    HE1  TYR  37           1HE      TYR  37   9.057   4.135 -16.037
  275    HE2  TYR  37           2HE      TYR  37  10.086   4.278 -11.867
  276    HH   TYR  37           HH       TYR  37   9.312   2.176 -13.827
  277    H    VAL  38           H        VAL  38   4.863   6.504 -13.419
  278    HA   VAL  38           HA       VAL  38   4.887   5.752 -16.145
  279    HB   VAL  38           HB       VAL  38   2.620   4.758 -15.591
  280   HG11  VAL  38          1HG1      VAL  38   4.709   3.490 -15.321
  281   HG12  VAL  38          2HG1      VAL  38   3.581   3.096 -14.024
  282   HG13  VAL  38          3HG1      VAL  38   4.936   4.185 -13.717
  283   HG21  VAL  38          3HG2      VAL  38   2.779   6.641 -13.490
  284   HG22  VAL  38          1HG2      VAL  38   2.947   5.060 -12.729
  285   HG23  VAL  38          2HG2      VAL  38   1.535   5.414 -13.724
  286    HA   PRO  39           HA       PRO  39   2.575   9.085 -17.955
  287    HB2  PRO  39           2HB      PRO  39   1.430   7.827 -20.090
  288    HB3  PRO  39           1HB      PRO  39   3.159   8.227 -20.020
  289    HG2  PRO  39           2HG      PRO  39   1.797   5.628 -19.480
  290    HG3  PRO  39           1HG      PRO  39   3.294   5.955 -20.372
  291    HD2  PRO  39           2HD      PRO  39   3.307   5.053 -17.805
  292    HD3  PRO  39           1HD      PRO  39   4.570   6.127 -18.444
  293    H    VAL  40           H        VAL  40   0.406   9.858 -18.355
  294    HA   VAL  40           HA       VAL  40  -1.736   8.159 -17.220
  295    HB   VAL  40           HB       VAL  40  -1.042   9.830 -15.551
  296   HG11  VAL  40          1HG1      VAL  40  -0.589  11.441 -17.761
  297   HG12  VAL  40          2HG1      VAL  40  -0.583  11.984 -16.083
  298   HG13  VAL  40          3HG1      VAL  40  -2.046  12.138 -17.055
  299   HG21  VAL  40          3HG2      VAL  40  -3.665  10.670 -16.815
  300   HG22  VAL  40          1HG2      VAL  40  -3.229  10.720 -15.106
  301   HG23  VAL  40          2HG2      VAL  40  -3.477   9.169 -15.909
  302    H    THR  41           H        THR  41  -3.626   8.152 -18.307
  303    HA   THR  41           HA       THR  41  -3.699   9.444 -20.903
  304    HB   THR  41           HB       THR  41  -4.486   7.101 -20.541
  305    HG1  THR  41           1HG      THR  41  -5.685   7.511 -22.192
  306   HG21  THR  41          3HG2      THR  41  -6.249   6.575 -19.165
  307   HG22  THR  41          1HG2      THR  41  -7.026   8.143 -19.384
  308   HG23  THR  41          2HG2      THR  41  -5.647   7.987 -18.295
  309    H    THR  42           H        THR  42  -5.171   9.832 -17.752
  310    HA   THR  42           HA       THR  42  -7.277  11.577 -18.565
  311    HB   THR  42           HB       THR  42  -7.635  11.959 -16.243
  312    HG1  THR  42           1HG      THR  42  -5.291  12.383 -15.936
  313   HG21  THR  42          3HG2      THR  42  -7.865   9.563 -17.169
  314   HG22  THR  42          1HG2      THR  42  -7.820   9.751 -15.417
  315   HG23  THR  42          2HG2      THR  42  -6.380   9.217 -16.282
  Start of MODEL   14
    1    HA   ASP   1           HA       ASP   1 -10.439   3.955   6.090
    2    HB2  ASP   1           1HB      ASP   1 -12.220   2.511   6.789
    3    HB3  ASP   1           2HB      ASP   1 -12.391   1.834   5.170
    4    H    CYS   2           H        CYS   2  -8.481   3.094   5.504
    5    HA   CYS   2           HA       CYS   2  -8.120   1.718   2.986
    6    HB2  CYS   2           2HB      CYS   2  -6.482   3.368   2.115
    7    HB3  CYS   2           1HB      CYS   2  -8.128   3.993   2.150
    8    H    ALA   3           H        ALA   3  -5.813   1.119   2.634
    9    HA   ALA   3           HA       ALA   3  -4.647   0.349   5.178
   10    HB1  ALA   3           3HB      ALA   3  -4.788  -0.846   2.692
   11    HB2  ALA   3           1HB      ALA   3  -3.742  -1.360   4.017
   12    HB3  ALA   3           2HB      ALA   3  -3.116  -0.285   2.765
   13    H    LYS   4           H        LYS   4  -3.072   1.429   6.179
   14    HA   LYS   4           HA       LYS   4  -1.870   3.757   4.944
   15    HB2  LYS   4           1HB      LYS   4  -1.516   2.486   7.666
   16    HB3  LYS   4           2HB      LYS   4  -0.713   3.971   7.158
   17    HG2  LYS   4           1HG      LYS   4  -2.909   5.017   6.740
   18    HG3  LYS   4           2HG      LYS   4  -3.711   3.535   7.264
   19    HD2  LYS   4           1HD      LYS   4  -2.736   3.750   9.493
   20    HD3  LYS   4           2HD      LYS   4  -1.829   5.174   8.985
   21    HE2  LYS   4           1HE      LYS   4  -3.845   5.868  10.190
   22    HE3  LYS   4           2HE      LYS   4  -3.971   6.335   8.495
   23    HZ1  LYS   4           3HZ      LYS   4  -5.060   3.771   9.482
   24    HZ2  LYS   4           1HZ      LYS   4  -5.440   4.600   8.051
   25    HZ3  LYS   4           2HZ      LYS   4  -5.967   5.205   9.547
   26    H    GLU   5           H        GLU   5   0.650   3.898   5.811
   27    HA   GLU   5           HA       GLU   5   2.089   2.304   3.986
   28    HB2  GLU   5           1HB      GLU   5   2.886   4.495   4.759
   29    HB3  GLU   5           2HB      GLU   5   3.122   3.844   6.381
   30    HG2  GLU   5           1HG      GLU   5   4.420   2.514   4.008
   31    HG3  GLU   5           2HG      GLU   5   5.160   3.929   4.743
   32    H    GLY   6           H        GLY   6   3.208   0.458   4.172
   33    HA2  GLY   6           1HA      GLY   6   4.143  -1.434   5.113
   34    HA3  GLY   6           2HA      GLY   6   3.851  -0.756   6.698
   35    H    GLU   7           H        GLU   7   1.026  -0.605   4.902
   36    HA   GLU   7           HA       GLU   7  -0.005  -2.972   6.327
   37    HB2  GLU   7           1HB      GLU   7  -1.550  -0.721   5.028
   38    HB3  GLU   7           2HB      GLU   7  -2.214  -2.007   6.031
   39    HG2  GLU   7           1HG      GLU   7  -0.576  -1.209   7.849
   40    HG3  GLU   7           2HG      GLU   7  -0.376   0.237   6.861
   41    H    VAL   8           H        VAL   8  -1.310  -4.504   5.277
   42    HA   VAL   8           HA       VAL   8  -0.425  -5.273   2.731
   43    HB   VAL   8           HB       VAL   8  -2.857  -6.129   4.302
   44   HG11  VAL   8          1HG1      VAL   8  -2.449  -8.199   2.690
   45   HG12  VAL   8          2HG1      VAL   8  -1.765  -6.958   1.639
   46   HG13  VAL   8          3HG1      VAL   8  -3.441  -6.836   2.170
   47   HG21  VAL   8          3HG2      VAL   8  -1.422  -8.138   4.725
   48   HG22  VAL   8          1HG2      VAL   8  -0.739  -6.657   5.396
   49   HG23  VAL   8          2HG2      VAL   8  -0.097  -7.324   3.894
   50    H    CYS   9           H        CYS   9  -1.171  -4.966   0.700
   51    HA   CYS   9           HA       CYS   9  -3.766  -3.609   0.343
   52    HB2  CYS   9           2HB      CYS   9  -2.810  -1.936  -1.147
   53    HB3  CYS   9           1HB      CYS   9  -2.039  -1.830   0.435
   54    H    SER  10           H        SER  10  -4.413  -3.589  -1.984
   55    HA   SER  10           HA       SER  10  -4.633  -4.560  -4.073
   56    HB2  SER  10           1HB      SER  10  -1.970  -4.724  -3.719
   57    HB3  SER  10           2HB      SER  10  -2.371  -6.435  -3.743
   58    HG   SER  10           HG       SER  10  -3.289  -4.564  -5.666
   59    H    TRP  11           H        TRP  11  -3.846  -6.574  -1.306
   60    HA   TRP  11           HA       TRP  11  -4.999  -8.979  -2.297
   61    HB2  TRP  11           2HB      TRP  11  -3.690  -8.112   0.079
   62    HB3  TRP  11           1HB      TRP  11  -5.200  -8.878   0.554
   63    HD1  TRP  11           1HD      TRP  11  -1.790  -9.783   0.003
   64    HE1  TRP  11           1HE      TRP  11  -1.529 -12.264  -0.653
   65    HE3  TRP  11           3HE      TRP  11  -6.608 -10.860  -1.250
   66    HZ2  TRP  11           2HZ      TRP  11  -3.161 -14.425  -1.587
   67    HZ3  TRP  11           3HZ      TRP  11  -7.236 -13.136  -2.018
   68    HH2  TRP  11           2HH      TRP  11  -5.517 -14.916  -2.189
   69    H    GLY  12           H        GLY  12  -6.642  -6.536  -2.604
   70    HA2  GLY  12           1HA      GLY  12  -9.048  -6.668  -2.819
   71    HA3  GLY  12           2HA      GLY  12  -9.093  -7.556  -1.301
   72    H    LYS  13           H        LYS  13  -6.839  -5.099  -1.098
   73    HA   LYS  13           HA       LYS  13  -8.799  -3.206   0.058
   74    HB2  LYS  13           1HB      LYS  13  -6.076  -3.953   1.149
   75    HB3  LYS  13           2HB      LYS  13  -7.099  -2.665   1.783
   76    HG2  LYS  13           1HG      LYS  13  -8.883  -4.316   2.247
   77    HG3  LYS  13           2HG      LYS  13  -7.842  -5.603   1.636
   78    HD2  LYS  13           1HD      LYS  13  -6.163  -5.053   3.378
   79    HD3  LYS  13           2HD      LYS  13  -7.247  -3.813   4.010
   80    HE2  LYS  13           1HE      LYS  13  -7.919  -6.763   3.803
   81    HE3  LYS  13           2HE      LYS  13  -7.436  -5.937   5.283
   82    HZ1  LYS  13           3HZ      LYS  13  -9.845  -5.380   3.640
   83    HZ2  LYS  13           1HZ      LYS  13  -9.351  -4.435   4.959
   84    HZ3  LYS  13           2HZ      LYS  13  -9.806  -6.055   5.199
   85    H    LYS  14           H        LYS  14  -8.280  -1.001  -0.101
   86    HA   LYS  14           HA       LYS  14  -6.333  -0.379  -2.232
   87    HB2  LYS  14           1HB      LYS  14  -8.712   1.186  -1.206
   88    HB3  LYS  14           2HB      LYS  14  -7.621   1.731  -2.482
   89    HG2  LYS  14           1HG      LYS  14  -8.185  -0.405  -3.732
   90    HG3  LYS  14           2HG      LYS  14  -9.448  -0.686  -2.533
   91    HD2  LYS  14           1HD      LYS  14  -9.254   1.856  -4.170
   92    HD3  LYS  14           2HD      LYS  14 -10.223   0.468  -4.658
   93    HE2  LYS  14           1HE      LYS  14 -11.428   0.631  -2.447
   94    HE3  LYS  14           2HE      LYS  14 -10.564   2.139  -2.151
   95    HZ1  LYS  14           3HZ      LYS  14 -12.464   1.554  -4.346
   96    HZ2  LYS  14           1HZ      LYS  14 -11.464   2.924  -4.329
   97    HZ3  LYS  14           2HZ      LYS  14 -12.628   2.708  -3.109
   98    H    CYS  15           H        CYS  15  -4.612   0.813  -1.824
   99    HA   CYS  15           HA       CYS  15  -3.873   1.450   0.849
  100    HB2  CYS  15           2HB      CYS  15  -2.401   0.931  -1.245
  101    HB3  CYS  15           1HB      CYS  15  -2.570   2.655  -1.559
  102    H    CYS  16           H        CYS  16  -3.564   3.500   1.778
  103    HA   CYS  16           HA       CYS  16  -5.625   5.364   1.401
  104    HB2  CYS  16           2HB      CYS  16  -2.937   5.637   2.760
  105    HB3  CYS  16           1HB      CYS  16  -4.247   6.808   2.902
  106    H    ASP  17           H        ASP  17  -2.548   5.015  -0.137
  107    HA   ASP  17           HA       ASP  17  -3.212   7.197  -1.944
  108    HB2  ASP  17           1HB      ASP  17  -1.059   7.362   0.085
  109    HB3  ASP  17           2HB      ASP  17  -0.643   7.884  -1.545
  110    H    LEU  18           H        LEU  18  -3.370   5.420  -3.414
  111    HA   LEU  18           HA       LEU  18  -1.237   3.627  -3.948
  112    HB2  LEU  18           1HB      LEU  18  -3.618   4.531  -5.567
  113    HB3  LEU  18           2HB      LEU  18  -2.482   3.321  -6.156
  114    HG   LEU  18           HG       LEU  18  -3.854   3.078  -3.465
  115   HD11  LEU  18          1HD1      LEU  18  -5.536   3.219  -5.305
  116   HD12  LEU  18          2HD1      LEU  18  -5.507   1.640  -4.519
  117   HD13  LEU  18          3HD1      LEU  18  -4.740   1.855  -6.093
  118   HD21  LEU  18          3HD2      LEU  18  -2.087   1.525  -3.512
  119   HD22  LEU  18          1HD2      LEU  18  -2.229   1.262  -5.248
  120   HD23  LEU  18          2HD2      LEU  18  -3.421   0.573  -4.151
  121    H    ASP  19           H        ASP  19  -1.775   6.917  -4.785
  122    HA   ASP  19           HA       ASP  19  -0.147   6.968  -7.144
  123    HB2  ASP  19           1HB      ASP  19  -1.153   9.128  -5.288
  124    HB3  ASP  19           2HB      ASP  19  -0.194   9.462  -6.730
  125    H    ASN  20           H        ASN  20   0.393   7.559  -3.700
  126    HA   ASN  20           HA       ASN  20   3.227   8.157  -4.228
  127    HB2  ASN  20           1HB      ASN  20   1.612   8.302  -1.678
  128    HB3  ASN  20           2HB      ASN  20   3.291   8.771  -1.830
  129   HD21  ASN  20          1HD2      ASN  20   0.666  11.561  -2.431
  130   HD22  ASN  20          2HD2      ASN  20   0.567  10.254  -1.362
  131    H    PHE  21           H        PHE  21   1.133   5.706  -2.948
  132    HA   PHE  21           HA       PHE  21   3.491   4.133  -2.131
  133    HB2  PHE  21           2HB      PHE  21   0.626   3.977  -1.191
  134    HB3  PHE  21           1HB      PHE  21   1.870   2.809  -0.765
  135    HD1  PHE  21           1HD      PHE  21   1.019   6.434  -0.617
  136    HD2  PHE  21           2HD      PHE  21   3.416   3.245   0.983
  137    HE1  PHE  21           1HE      PHE  21   1.771   7.921   1.211
  138    HE2  PHE  21           2HE      PHE  21   4.168   4.738   2.810
  139    HZ   PHE  21           HZ       PHE  21   3.347   7.073   2.932
  140    H    TYR  22           H        TYR  22   3.472   1.864  -2.599
  141    HA   TYR  22           HA       TYR  22   1.690   1.088  -4.822
  142    HB2  TYR  22           2HB      TYR  22   3.524   0.253  -6.093
  143    HB3  TYR  22           1HB      TYR  22   3.993   1.865  -5.583
  144    HD1  TYR  22           1HD      TYR  22   4.549  -1.759  -5.016
  145    HD2  TYR  22           2HD      TYR  22   5.696   2.235  -3.968
  146    HE1  TYR  22           1HE      TYR  22   6.614  -2.584  -4.033
  147    HE2  TYR  22           2HE      TYR  22   7.738   1.400  -2.962
  148    HH   TYR  22           HH       TYR  22   8.230  -1.880  -2.272
  149    H    CYS  23           H        CYS  23   1.667  -1.267  -5.179
  150    HA   CYS  23           HA       CYS  23   1.887  -2.688  -2.628
  151    HB2  CYS  23           2HB      CYS  23   0.241  -3.262  -5.080
  152    HB3  CYS  23           1HB      CYS  23   0.338  -4.319  -3.675
  153    HA   PRO  24           HA       PRO  24   5.586  -4.533  -4.646
  154    HB2  PRO  24           2HB      PRO  24   5.328  -6.203  -2.179
  155    HB3  PRO  24           1HB      PRO  24   6.758  -5.410  -2.855
  156    HG2  PRO  24           2HG      PRO  24   5.537  -4.418  -0.743
  157    HG3  PRO  24           1HG      PRO  24   6.198  -3.366  -1.986
  158    HD2  PRO  24           2HD      PRO  24   3.355  -4.062  -1.433
  159    HD3  PRO  24           1HD      PRO  24   4.053  -2.562  -2.051
  160    H    MET  25           H        MET  25   5.989  -6.476  -5.707
  161    HA   MET  25           HA       MET  25   3.636  -8.175  -6.101
  162    HB2  MET  25           1HB      MET  25   4.972  -7.285  -8.037
  163    HB3  MET  25           2HB      MET  25   6.309  -8.310  -7.511
  164    HG2  MET  25           1HG      MET  25   4.864 -10.303  -7.725
  165    HG3  MET  25           2HG      MET  25   3.530  -9.275  -8.247
  166    HE1  MET  25           3HE      MET  25   6.885 -10.729  -8.781
  167    HE2  MET  25           1HE      MET  25   7.507  -9.166  -9.324
  168    HE3  MET  25           2HE      MET  25   7.315 -10.486 -10.472
  169    H    GLU  26           H        GLU  26   3.974  -8.954  -3.801
  170    HA   GLU  26           HA       GLU  26   5.604 -11.385  -3.874
  171    HB2  GLU  26           1HB      GLU  26   5.639  -9.259  -1.728
  172    HB3  GLU  26           2HB      GLU  26   6.162 -10.913  -1.423
  173    HG2  GLU  26           1HG      GLU  26   8.153  -9.769  -1.993
  174    HG3  GLU  26           2HG      GLU  26   7.712 -10.612  -3.474
  175    H    PHE  27           H        PHE  27   5.070 -12.563  -1.623
  176    HA   PHE  27           HA       PHE  27   2.448 -13.515  -1.863
  177    HB2  PHE  27           2HB      PHE  27   4.270 -14.808  -0.817
  178    HB3  PHE  27           1HB      PHE  27   4.280 -13.683   0.543
  179    HD1  PHE  27           1HD      PHE  27   2.019 -15.957  -1.378
  180    HD2  PHE  27           2HD      PHE  27   2.838 -14.036   2.377
  181    HE1  PHE  27           1HE      PHE  27   0.175 -17.235  -0.324
  182    HE2  PHE  27           2HE      PHE  27   0.992 -15.316   3.431
  183    HZ   PHE  27           HZ       PHE  27  -0.340 -16.913   2.081
  184    H    ILE  28           H        ILE  28   3.853 -11.242   0.485
  185    HA   ILE  28           HA       ILE  28   1.115 -10.326   1.115
  186    HB   ILE  28           HB       ILE  28   2.133  -9.793   3.419
  187   HG12  ILE  28          1HG1      ILE  28   4.016 -12.007   2.550
  188   HG13  ILE  28          2HG1      ILE  28   4.483 -10.310   2.628
  189   HG21  ILE  28          1HG2      ILE  28   1.199 -12.368   2.279
  190   HG22  ILE  28          2HG2      ILE  28   0.522 -11.410   3.594
  191   HG23  ILE  28          3HG2      ILE  28   1.916 -12.452   3.887
  192   HD11  ILE  28          3HD1      ILE  28   4.861 -10.498   4.836
  193   HD12  ILE  28          1HD1      ILE  28   4.443 -12.208   4.749
  194   HD13  ILE  28          2HD1      ILE  28   3.194 -11.012   5.093
  195    HA   PRO  29           HA       PRO  29   3.645  -6.800  -0.604
  196    HB2  PRO  29           2HB      PRO  29   0.847  -5.981  -1.238
  197    HB3  PRO  29           1HB      PRO  29   2.292  -5.937  -2.266
  198    HG2  PRO  29           2HG      PRO  29   0.419  -7.763  -2.644
  199    HG3  PRO  29           1HG      PRO  29   2.131  -8.195  -2.788
  200    HD2  PRO  29           2HD      PRO  29   0.235  -8.762  -0.529
  201    HD3  PRO  29           1HD      PRO  29   1.518  -9.786  -1.210
  202    H    HIS  30           H        HIS  30   3.807  -4.665   0.181
  203    HA   HIS  30           HA       HIS  30   1.839  -3.853   2.219
  204    HB2  HIS  30           1HB      HIS  30   4.835  -3.774   2.626
  205    HB3  HIS  30           2HB      HIS  30   3.627  -3.098   3.704
  206    HD1  HIS  30           HD1      HIS  30   5.324  -6.257   2.895
  207    HD2  HIS  30           HD2      HIS  30   1.823  -5.093   4.836
  208    HE1  HIS  30           HE1      HIS  30   4.549  -8.263   4.234
  209    H    CYS  31           H        CYS  31   1.391  -1.707   2.274
  210    HA   CYS  31           HA       CYS  31   1.909  -0.121   0.019
  211    HB2  CYS  31           2HB      CYS  31   0.916   0.459   2.786
  212    HB3  CYS  31           1HB      CYS  31   1.226   1.783   1.671
  213    H    LYS  32           H        LYS  32   3.762   0.770  -0.618
  214    HA   LYS  32           HA       LYS  32   5.587   1.851   1.450
  215    HB2  LYS  32           1HB      LYS  32   6.393  -0.350   0.560
  216    HB3  LYS  32           2HB      LYS  32   6.460   0.376  -1.026
  217    HG2  LYS  32           1HG      LYS  32   8.653   0.671  -0.314
  218    HG3  LYS  32           2HG      LYS  32   7.936   2.206   0.161
  219    HD2  LYS  32           1HD      LYS  32   7.582   1.366   2.444
  220    HD3  LYS  32           2HD      LYS  32   8.254  -0.198   1.981
  221    HE2  LYS  32           1HE      LYS  32   9.973   1.148   3.101
  222    HE3  LYS  32           2HE      LYS  32  10.401   0.916   1.405
  223    HZ1  LYS  32           3HZ      LYS  32   9.987   3.077   0.903
  224    HZ2  LYS  32           1HZ      LYS  32  10.440   3.279   2.526
  225    HZ3  LYS  32           2HZ      LYS  32   8.795   3.257   2.099
  226    H    LYS  33           H        LYS  33   6.160   3.887   1.117
  227    HA   LYS  33           HA       LYS  33   5.174   5.369  -1.080
  228    HB2  LYS  33           1HB      LYS  33   5.562   6.357   1.146
  229    HB3  LYS  33           2HB      LYS  33   7.297   6.163   0.911
  230    HG2  LYS  33           1HG      LYS  33   7.263   7.646  -1.006
  231    HG3  LYS  33           2HG      LYS  33   5.504   7.743  -0.951
  232    HD2  LYS  33           1HD      LYS  33   7.033   8.492   1.510
  233    HD3  LYS  33           2HD      LYS  33   7.019   9.630   0.162
  234    HE2  LYS  33           1HE      LYS  33   4.548   9.577   0.141
  235    HE3  LYS  33           2HE      LYS  33   4.563   8.446   1.493
  236    HZ1  LYS  33           3HZ      LYS  33   5.500  11.256   1.465
  237    HZ2  LYS  33           1HZ      LYS  33   5.872  10.180   2.721
  238    HZ3  LYS  33           2HZ      LYS  33   4.253  10.583   2.401
  239    H    TYR  34           H        TYR  34   6.073   5.959  -2.970
  240    HA   TYR  34           HA       TYR  34   8.937   5.587  -3.407
  241    HB2  TYR  34           2HB      TYR  34   8.703   4.187  -5.279
  242    HB3  TYR  34           1HB      TYR  34   7.664   3.475  -4.053
  243    HD1  TYR  34           1HD      TYR  34   7.829   4.517  -7.411
  244    HD2  TYR  34           2HD      TYR  34   5.155   4.469  -4.042
  245    HE1  TYR  34           1HE      TYR  34   5.893   4.719  -8.935
  246    HE2  TYR  34           2HE      TYR  34   3.227   4.637  -5.573
  247    HH   TYR  34           HH       TYR  34   3.687   5.077  -9.070
  248    H    LYS  35           H        LYS  35   9.166   6.101  -6.011
  249    HA   LYS  35           HA       LYS  35   8.154   8.826  -6.189
  250    HB2  LYS  35           1HB      LYS  35   9.849   8.870  -8.167
  251    HB3  LYS  35           2HB      LYS  35  10.433   8.910  -6.503
  252    HG2  LYS  35           1HG      LYS  35  10.038   6.230  -7.749
  253    HG3  LYS  35           2HG      LYS  35  11.414   7.183  -8.300
  254    HD2  LYS  35           1HD      LYS  35  12.146   7.445  -5.940
  255    HD3  LYS  35           2HD      LYS  35  10.814   6.408  -5.422
  256    HE2  LYS  35           1HE      LYS  35  11.689   4.561  -6.757
  257    HE3  LYS  35           2HE      LYS  35  12.986   5.589  -7.368
  258    HZ1  LYS  35           3HZ      LYS  35  13.534   5.946  -4.919
  259    HZ2  LYS  35           1HZ      LYS  35  13.950   4.454  -5.608
  260    HZ3  LYS  35           2HZ      LYS  35  12.568   4.581  -4.627
  261    HA   PRO  36           HA       PRO  36   5.397   7.010  -9.332
  262    HB2  PRO  36           2HB      PRO  36   3.642   9.076  -9.508
  263    HB3  PRO  36           1HB      PRO  36   3.608   7.899  -8.181
  264    HG2  PRO  36           2HG      PRO  36   4.664  10.674  -8.226
  265    HG3  PRO  36           1HG      PRO  36   3.829   9.802  -6.930
  266    HD2  PRO  36           2HD      PRO  36   6.569  10.182  -7.048
  267    HD3  PRO  36           1HD      PRO  36   5.780   8.889  -6.123
  268    H    TYR  37           H        TYR  37   7.596   9.473  -9.541
  269    HA   TYR  37           HA       TYR  37   8.609  10.557 -11.293
  270    HB2  TYR  37           2HB      TYR  37   6.910   8.889 -13.153
  271    HB3  TYR  37           1HB      TYR  37   8.488   9.603 -13.468
  272    HD1  TYR  37           1HD      TYR  37   6.780   6.664 -12.423
  273    HD2  TYR  37           2HD      TYR  37  10.434   8.857 -11.880
  274    HE1  TYR  37           1HE      TYR  37   7.885   4.612 -11.579
  275    HE2  TYR  37           2HE      TYR  37  11.539   6.804 -11.038
  276    HH   TYR  37           HH       TYR  37  11.325   4.640 -10.623
  277    H    VAL  38           H        VAL  38   8.122  12.023 -13.179
  278    HA   VAL  38           HA       VAL  38   5.372  13.104 -13.018
  279    HB   VAL  38           HB       VAL  38   6.308  15.371 -13.123
  280   HG11  VAL  38          1HG1      VAL  38   7.454  13.695 -10.870
  281   HG12  VAL  38          2HG1      VAL  38   5.809  14.323 -10.934
  282   HG13  VAL  38          3HG1      VAL  38   7.172  15.434 -10.821
  283   HG21  VAL  38          3HG2      VAL  38   8.961  15.036 -12.326
  284   HG22  VAL  38          1HG2      VAL  38   8.420  15.549 -13.924
  285   HG23  VAL  38          2HG2      VAL  38   8.755  13.845 -13.611
  286    HA   PRO  39           HA       PRO  39   6.811  12.392 -17.404
  287    HB2  PRO  39           2HB      PRO  39   4.703  10.854 -18.198
  288    HB3  PRO  39           1HB      PRO  39   6.160  10.185 -17.439
  289    HG2  PRO  39           2HG      PRO  39   3.490  10.746 -16.250
  290    HG3  PRO  39           1HG      PRO  39   4.593   9.388 -15.966
  291    HD2  PRO  39           2HD      PRO  39   4.348  11.517 -14.258
  292    HD3  PRO  39           1HD      PRO  39   5.830  10.547 -14.399
  293    H    VAL  40           H        VAL  40   5.974  13.364 -19.296
  294    HA   VAL  40           HA       VAL  40   4.281  15.604 -18.882
  295    HB   VAL  40           HB       VAL  40   4.438  15.895 -21.331
  296   HG11  VAL  40          1HG1      VAL  40   6.301  16.846 -20.333
  297   HG12  VAL  40          2HG1      VAL  40   7.084  15.638 -21.351
  298   HG13  VAL  40          3HG1      VAL  40   6.836  15.318 -19.635
  299   HG21  VAL  40          3HG2      VAL  40   5.090  13.046 -21.151
  300   HG22  VAL  40          1HG2      VAL  40   6.251  13.947 -22.126
  301   HG23  VAL  40          2HG2      VAL  40   4.536  13.983 -22.538
  302    H    THR  41           H        THR  41   3.640  12.313 -19.552
  303    HA   THR  41           HA       THR  41   1.133  12.686 -20.912
  304    HB   THR  41           HB       THR  41   0.853  10.285 -20.610
  305    HG1  THR  41           1HG      THR  41   2.553  10.783 -18.539
  306   HG21  THR  41          3HG2      THR  41   3.788  10.792 -21.114
  307   HG22  THR  41          1HG2      THR  41   2.541  11.249 -22.274
  308   HG23  THR  41          2HG2      THR  41   2.761   9.555 -21.837
  309    H    THR  42           H        THR  42  -0.941  11.936 -19.998
  310    HA   THR  42           HA       THR  42  -1.202  12.808 -17.189
  311    HB   THR  42           HB       THR  42  -3.175  12.748 -19.478
  312    HG1  THR  42           1HG      THR  42  -1.685  14.647 -18.105
  313   HG21  THR  42          3HG2      THR  42  -4.555  12.167 -17.690
  314   HG22  THR  42          1HG2      THR  42  -4.608  13.929 -17.619
  315   HG23  THR  42          2HG2      THR  42  -3.565  13.033 -16.514
  Start of MODEL   15
    1    HA   ASP   1           HA       ASP   1 -11.587   1.422   5.891
    2    HB2  ASP   1           1HB      ASP   1 -11.982   3.768   4.470
    3    HB3  ASP   1           2HB      ASP   1 -13.014   3.172   5.768
    4    H    CYS   2           H        CYS   2  -8.501   2.342   5.784
    5    HA   CYS   2           HA       CYS   2  -8.158   1.426   3.047
    6    HB2  CYS   2           2HB      CYS   2  -6.845   3.346   2.339
    7    HB3  CYS   2           1HB      CYS   2  -8.464   3.875   2.791
    8    H    ALA   3           H        ALA   3  -5.807   1.164   2.521
    9    HA   ALA   3           HA       ALA   3  -4.450   0.030   4.821
   10    HB1  ALA   3           3HB      ALA   3  -3.535  -1.333   3.294
   11    HB2  ALA   3           1HB      ALA   3  -2.884   0.036   2.392
   12    HB3  ALA   3           2HB      ALA   3  -4.525  -0.530   2.072
   13    H    LYS   4           H        LYS   4  -2.807   0.928   5.913
   14    HA   LYS   4           HA       LYS   4  -1.878   3.580   5.073
   15    HB2  LYS   4           1HB      LYS   4  -1.490   2.054   7.661
   16    HB3  LYS   4           2HB      LYS   4  -0.907   3.688   7.353
   17    HG2  LYS   4           1HG      LYS   4  -3.226   4.437   6.935
   18    HG3  LYS   4           2HG      LYS   4  -3.805   2.804   7.262
   19    HD2  LYS   4           1HD      LYS   4  -2.879   2.927   9.547
   20    HD3  LYS   4           2HD      LYS   4  -2.308   4.564   9.224
   21    HE2  LYS   4           1HE      LYS   4  -4.610   5.321   8.846
   22    HE3  LYS   4           2HE      LYS   4  -5.207   3.682   9.108
   23    HZ1  LYS   4           3HZ      LYS   4  -4.582   3.741  11.346
   24    HZ2  LYS   4           1HZ      LYS   4  -5.292   5.257  11.067
   25    HZ3  LYS   4           2HZ      LYS   4  -3.601   5.113  11.140
   26    H    GLU   5           H        GLU   5   0.510   4.021   5.586
   27    HA   GLU   5           HA       GLU   5   2.146   2.608   3.860
   28    HB2  GLU   5           1HB      GLU   5   2.742   4.816   4.712
   29    HB3  GLU   5           2HB      GLU   5   2.940   4.161   6.337
   30    HG2  GLU   5           1HG      GLU   5   4.802   2.794   5.637
   31    HG3  GLU   5           2HG      GLU   5   4.528   3.194   3.944
   32    H    GLY   6           H        GLY   6   3.106   0.685   3.924
   33    HA2  GLY   6           1HA      GLY   6   4.206  -1.167   4.776
   34    HA3  GLY   6           2HA      GLY   6   4.061  -0.490   6.378
   35    H    GLU   7           H        GLU   7   1.070  -0.333   4.979
   36    HA   GLU   7           HA       GLU   7   0.157  -2.651   6.518
   37    HB2  GLU   7           1HB      GLU   7  -0.926  -0.335   6.645
   38    HB3  GLU   7           2HB      GLU   7  -1.576  -0.677   5.041
   39    HG2  GLU   7           1HG      GLU   7  -2.695  -2.673   5.862
   40    HG3  GLU   7           2HG      GLU   7  -1.973  -2.459   7.455
   41    H    VAL   8           H        VAL   8  -1.158  -4.289   5.632
   42    HA   VAL   8           HA       VAL   8  -0.367  -5.282   3.149
   43    HB   VAL   8           HB       VAL   8  -2.790  -5.902   4.838
   44   HG11  VAL   8          1HG1      VAL   8  -2.543  -8.107   3.370
   45   HG12  VAL   8          2HG1      VAL   8  -1.864  -6.975   2.200
   46   HG13  VAL   8          3HG1      VAL   8  -3.505  -6.743   2.802
   47   HG21  VAL   8          3HG2      VAL   8  -0.114  -7.270   4.412
   48   HG22  VAL   8          1HG2      VAL   8  -1.438  -7.942   5.360
   49   HG23  VAL   8          2HG2      VAL   8  -0.649  -6.453   5.880
   50    H    CYS   9           H        CYS   9  -1.073  -5.035   1.096
   51    HA   CYS   9           HA       CYS   9  -3.635  -3.623   0.660
   52    HB2  CYS   9           2HB      CYS   9  -2.625  -2.133  -0.964
   53    HB3  CYS   9           1HB      CYS   9  -1.776  -1.961   0.571
   54    H    SER  10           H        SER  10  -4.264  -3.728  -1.694
   55    HA   SER  10           HA       SER  10  -4.634  -4.895  -3.645
   56    HB2  SER  10           1HB      SER  10  -2.249  -6.631  -3.078
   57    HB3  SER  10           2HB      SER  10  -2.919  -6.137  -4.618
   58    HG   SER  10           HG       SER  10  -2.327  -3.937  -3.933
   59    H    TRP  11           H        TRP  11  -3.880  -6.620  -0.697
   60    HA   TRP  11           HA       TRP  11  -5.061  -9.110  -1.431
   61    HB2  TRP  11           2HB      TRP  11  -3.730  -8.007   0.840
   62    HB3  TRP  11           1HB      TRP  11  -5.224  -8.728   1.393
   63    HD1  TRP  11           1HD      TRP  11  -1.806  -9.645   0.784
   64    HE1  TRP  11           1HE      TRP  11  -1.545 -12.182   0.408
   65    HE3  TRP  11           3HE      TRP  11  -6.678 -10.913  -0.037
   66    HZ2  TRP  11           2HZ      TRP  11  -3.188 -14.451  -0.166
   67    HZ3  TRP  11           3HZ      TRP  11  -7.306 -13.274  -0.497
   68    HH2  TRP  11           2HH      TRP  11  -5.566 -15.041  -0.562
   69    H    GLY  12           H        GLY  12  -6.764  -7.014  -2.211
   70    HA2  GLY  12           1HA      GLY  12  -9.145  -7.043  -2.283
   71    HA3  GLY  12           2HA      GLY  12  -9.163  -7.718  -0.657
   72    H    LYS  13           H        LYS  13  -6.895  -5.284  -0.764
   73    HA   LYS  13           HA       LYS  13  -8.838  -3.201   0.021
   74    HB2  LYS  13           1HB      LYS  13  -6.295  -3.949   1.483
   75    HB3  LYS  13           2HB      LYS  13  -7.290  -2.539   1.846
   76    HG2  LYS  13           1HG      LYS  13  -9.216  -4.015   2.306
   77    HG3  LYS  13           2HG      LYS  13  -8.218  -5.426   1.952
   78    HD2  LYS  13           1HD      LYS  13  -6.680  -4.773   3.790
   79    HD3  LYS  13           2HD      LYS  13  -7.737  -3.412   4.168
   80    HE2  LYS  13           1HE      LYS  13  -8.586  -6.323   4.200
   81    HE3  LYS  13           2HE      LYS  13  -8.181  -5.376   5.631
   82    HZ1  LYS  13           3HZ      LYS  13 -10.513  -5.188   3.871
   83    HZ2  LYS  13           1HZ      LYS  13  -9.942  -3.759   4.582
   84    HZ3  LYS  13           2HZ      LYS  13 -10.417  -5.063   5.563
   85    H    LYS  14           H        LYS  14  -8.182  -1.055  -0.365
   86    HA   LYS  14           HA       LYS  14  -5.975  -0.804  -2.308
   87    HB2  LYS  14           1HB      LYS  14  -7.094   1.267  -2.992
   88    HB3  LYS  14           2HB      LYS  14  -8.203  -0.095  -3.098
   89    HG2  LYS  14           1HG      LYS  14  -9.133   0.511  -0.884
   90    HG3  LYS  14           2HG      LYS  14  -8.049   1.899  -0.814
   91    HD2  LYS  14           1HD      LYS  14  -9.069   2.823  -2.850
   92    HD3  LYS  14           2HD      LYS  14 -10.151   1.433  -2.944
   93    HE2  LYS  14           1HE      LYS  14 -11.112   2.025  -0.752
   94    HE3  LYS  14           2HE      LYS  14 -10.027   3.410  -0.647
   95    HZ1  LYS  14           3HZ      LYS  14 -11.127   4.513  -2.316
   96    HZ2  LYS  14           1HZ      LYS  14 -12.416   3.718  -1.553
   97    HZ3  LYS  14           2HZ      LYS  14 -11.769   3.095  -2.996
   98    H    CYS  15           H        CYS  15  -4.351   0.662  -2.028
   99    HA   CYS  15           HA       CYS  15  -3.727   1.415   0.663
  100    HB2  CYS  15           2HB      CYS  15  -2.134   0.854  -1.327
  101    HB3  CYS  15           1HB      CYS  15  -2.353   2.549  -1.737
  102    H    CYS  16           H        CYS  16  -4.263   3.219   1.717
  103    HA   CYS  16           HA       CYS  16  -6.102   5.067   1.002
  104    HB2  CYS  16           2HB      CYS  16  -4.252   4.814   3.085
  105    HB3  CYS  16           1HB      CYS  16  -3.984   6.424   2.429
  106    H    ASP  17           H        ASP  17  -2.707   5.116   0.124
  107    HA   ASP  17           HA       ASP  17  -3.312   7.268  -1.805
  108    HB2  ASP  17           1HB      ASP  17  -0.958   7.078   0.072
  109    HB3  ASP  17           2HB      ASP  17  -0.948   8.097  -1.367
  110    H    LEU  18           H        LEU  18  -3.336   6.020  -3.619
  111    HA   LEU  18           HA       LEU  18  -1.216   4.072  -4.080
  112    HB2  LEU  18           1HB      LEU  18  -3.672   4.864  -5.660
  113    HB3  LEU  18           2HB      LEU  18  -2.505   3.673  -6.218
  114    HG   LEU  18           HG       LEU  18  -3.728   3.424  -3.474
  115   HD11  LEU  18          1HD1      LEU  18  -5.365   1.813  -4.667
  116   HD12  LEU  18          2HD1      LEU  18  -4.950   2.695  -6.139
  117   HD13  LEU  18          3HD1      LEU  18  -5.696   3.541  -4.784
  118   HD21  LEU  18          3HD2      LEU  18  -3.358   0.971  -4.072
  119   HD22  LEU  18          1HD2      LEU  18  -1.891   1.920  -3.911
  120   HD23  LEU  18          2HD2      LEU  18  -2.509   1.523  -5.507
  121    H    ASP  19           H        ASP  19  -1.593   7.341  -4.494
  122    HA   ASP  19           HA       ASP  19  -0.108   7.489  -7.013
  123    HB2  ASP  19           1HB      ASP  19  -0.471   9.897  -6.844
  124    HB3  ASP  19           2HB      ASP  19  -1.994   9.044  -6.610
  125    H    ASN  20           H        ASN  20   0.668   6.967  -3.878
  126    HA   ASN  20           HA       ASN  20   3.344   8.145  -4.235
  127    HB2  ASN  20           1HB      ASN  20   1.681   8.328  -1.719
  128    HB3  ASN  20           2HB      ASN  20   3.356   8.804  -1.847
  129   HD21  ASN  20          1HD2      ASN  20   0.542  11.427  -2.834
  130   HD22  ASN  20          2HD2      ASN  20   0.263  10.044  -1.903
  131    H    PHE  21           H        PHE  21   1.299   5.620  -3.096
  132    HA   PHE  21           HA       PHE  21   3.671   4.116  -2.185
  133    HB2  PHE  21           2HB      PHE  21   0.798   3.832  -1.291
  134    HB3  PHE  21           1HB      PHE  21   2.132   2.818  -0.762
  135    HD1  PHE  21           1HD      PHE  21   1.040   6.384  -0.917
  136    HD2  PHE  21           2HD      PHE  21   3.484   3.466   1.053
  137    HE1  PHE  21           1HE      PHE  21   1.608   8.049   0.823
  138    HE2  PHE  21           2HE      PHE  21   4.062   5.136   2.793
  139    HZ   PHE  21           HZ       PHE  21   3.128   7.424   2.679
  140    H    TYR  22           H        TYR  22   3.666   1.821  -2.625
  141    HA   TYR  22           HA       TYR  22   1.889   1.011  -4.842
  142    HB2  TYR  22           2HB      TYR  22   3.726   0.128  -6.096
  143    HB3  TYR  22           1HB      TYR  22   4.193   1.755  -5.641
  144    HD1  TYR  22           1HD      TYR  22   4.709  -1.844  -4.926
  145    HD2  TYR  22           2HD      TYR  22   5.945   2.160  -4.037
  146    HE1  TYR  22           1HE      TYR  22   6.706  -2.689  -3.831
  147    HE2  TYR  22           2HE      TYR  22   7.940   1.307  -2.924
  148    HH   TYR  22           HH       TYR  22   8.301  -1.919  -2.016
  149    H    CYS  23           H        CYS  23   1.839  -1.350  -5.150
  150    HA   CYS  23           HA       CYS  23   2.050  -2.707  -2.587
  151    HB2  CYS  23           2HB      CYS  23   0.334  -3.248  -4.957
  152    HB3  CYS  23           1HB      CYS  23   0.500  -4.370  -3.612
  153    HA   PRO  24           HA       PRO  24   5.697  -4.677  -4.492
  154    HB2  PRO  24           2HB      PRO  24   5.311  -6.382  -2.067
  155    HB3  PRO  24           1HB      PRO  24   6.773  -5.599  -2.668
  156    HG2  PRO  24           2HG      PRO  24   5.474  -4.625  -0.590
  157    HG3  PRO  24           1HG      PRO  24   6.243  -3.576  -1.767
  158    HD2  PRO  24           2HD      PRO  24   3.358  -4.171  -1.366
  159    HD3  PRO  24           1HD      PRO  24   4.149  -2.691  -1.939
  160    H    MET  25           H        MET  25   5.990  -6.544  -5.674
  161    HA   MET  25           HA       MET  25   3.621  -8.086  -6.277
  162    HB2  MET  25           1HB      MET  25   6.462  -8.195  -7.302
  163    HB3  MET  25           2HB      MET  25   5.189  -9.277  -7.869
  164    HG2  MET  25           1HG      MET  25   3.820  -7.241  -8.444
  165    HG3  MET  25           2HG      MET  25   5.226  -6.253  -8.059
  166    HE1  MET  25           3HE      MET  25   7.784  -6.808 -10.593
  167    HE2  MET  25           1HE      MET  25   7.782  -8.034  -9.319
  168    HE3  MET  25           2HE      MET  25   7.343  -6.370  -8.948
  169    H    GLU  26           H        GLU  26   3.616  -8.808  -3.887
  170    HA   GLU  26           HA       GLU  26   4.914 -11.438  -3.767
  171    HB2  GLU  26           1HB      GLU  26   4.892  -9.353  -1.576
  172    HB3  GLU  26           2HB      GLU  26   5.308 -11.047  -1.317
  173    HG2  GLU  26           1HG      GLU  26   7.151 -10.879  -2.909
  174    HG3  GLU  26           2HG      GLU  26   6.702  -9.218  -3.290
  175    H    PHE  27           H        PHE  27   3.939 -12.675  -1.826
  176    HA   PHE  27           HA       PHE  27   1.120 -12.864  -2.250
  177    HB2  PHE  27           2HB      PHE  27   1.505 -14.407  -0.073
  178    HB3  PHE  27           1HB      PHE  27   1.860 -14.947  -1.715
  179    HD1  PHE  27           1HD      PHE  27   3.241 -14.088   1.525
  180    HD2  PHE  27           2HD      PHE  27   4.208 -14.699  -2.614
  181    HE1  PHE  27           1HE      PHE  27   5.639 -14.315   2.118
  182    HE2  PHE  27           2HE      PHE  27   6.604 -14.935  -2.022
  183    HZ   PHE  27           HZ       PHE  27   7.320 -14.744   0.344
  184    H    ILE  28           H        ILE  28   3.001 -10.872  -0.296
  185    HA   ILE  28           HA       ILE  28   0.624 -10.027   1.180
  186    HB   ILE  28           HB       ILE  28   2.090  -9.799   3.242
  187   HG12  ILE  28          1HG1      ILE  28   3.741 -11.867   1.780
  188   HG13  ILE  28          2HG1      ILE  28   4.228 -10.192   1.954
  189   HG21  ILE  28          1HG2      ILE  28   1.646 -12.096   3.933
  190   HG22  ILE  28          2HG2      ILE  28   1.521 -12.603   2.249
  191   HG23  ILE  28          3HG2      ILE  28   0.308 -11.525   2.938
  192   HD11  ILE  28          3HD1      ILE  28   4.615 -12.296   3.810
  193   HD12  ILE  28          1HD1      ILE  28   3.429 -11.202   4.523
  194   HD13  ILE  28          2HD1      ILE  28   5.003 -10.587   4.022
  195    HA   PRO  29           HA       PRO  29   3.246  -6.641  -0.721
  196    HB2  PRO  29           2HB      PRO  29   0.533  -5.661  -1.435
  197    HB3  PRO  29           1HB      PRO  29   1.984  -5.805  -2.440
  198    HG2  PRO  29           2HG      PRO  29  -0.075  -7.474  -2.725
  199    HG3  PRO  29           1HG      PRO  29   1.599  -8.044  -2.895
  200    HD2  PRO  29           2HD      PRO  29  -0.278  -8.365  -0.564
  201    HD3  PRO  29           1HD      PRO  29   0.870  -9.528  -1.256
  202    H    HIS  30           H        HIS  30   3.705  -4.742   0.307
  203    HA   HIS  30           HA       HIS  30   1.749  -3.763   2.316
  204    HB2  HIS  30           1HB      HIS  30   4.756  -3.905   2.600
  205    HB3  HIS  30           2HB      HIS  30   3.664  -3.146   3.743
  206    HD1  HIS  30           HD1      HIS  30   4.874  -6.470   2.595
  207    HD2  HIS  30           HD2      HIS  30   1.965  -4.977   5.176
  208    HE1  HIS  30           HE1      HIS  30   4.082  -8.430   3.991
  209    H    CYS  31           H        CYS  31   1.292  -1.643   2.236
  210    HA   CYS  31           HA       CYS  31   1.917  -0.049   0.052
  211    HB2  CYS  31           2HB      CYS  31   1.037   0.619   2.845
  212    HB3  CYS  31           1HB      CYS  31   1.305   1.882   1.661
  213    H    LYS  32           H        LYS  32   3.823   0.663  -0.615
  214    HA   LYS  32           HA       LYS  32   5.732   1.631   1.416
  215    HB2  LYS  32           1HB      LYS  32   6.559  -0.476   0.531
  216    HB3  LYS  32           2HB      LYS  32   6.340   0.092  -1.095
  217    HG2  LYS  32           1HG      LYS  32   8.699   0.308  -0.463
  218    HG3  LYS  32           2HG      LYS  32   8.008   1.906  -0.662
  219    HD2  LYS  32           1HD      LYS  32   7.831   2.259   1.680
  220    HD3  LYS  32           2HD      LYS  32   8.078   0.544   2.029
  221    HE2  LYS  32           1HE      LYS  32  10.383   0.716   1.216
  222    HE3  LYS  32           2HE      LYS  32  10.127   2.410   0.795
  223    HZ1  LYS  32           3HZ      LYS  32  11.159   2.406   2.889
  224    HZ2  LYS  32           1HZ      LYS  32  10.153   1.180   3.489
  225    HZ3  LYS  32           2HZ      LYS  32   9.522   2.732   3.203
  226    H    LYS  33           H        LYS  33   6.302   3.694   1.161
  227    HA   LYS  33           HA       LYS  33   5.310   5.271  -0.972
  228    HB2  LYS  33           1HB      LYS  33   5.749   6.184   1.274
  229    HB3  LYS  33           2HB      LYS  33   7.472   5.935   1.030
  230    HG2  LYS  33           1HG      LYS  33   7.536   7.523  -0.765
  231    HG3  LYS  33           2HG      LYS  33   5.775   7.607  -0.835
  232    HD2  LYS  33           1HD      LYS  33   6.932   8.228   1.812
  233    HD3  LYS  33           2HD      LYS  33   7.341   9.381   0.542
  234    HE2  LYS  33           1HE      LYS  33   4.500   8.449   0.934
  235    HE3  LYS  33           2HE      LYS  33   5.156   9.790   1.873
  236    HZ1  LYS  33           3HZ      LYS  33   5.733  10.903  -0.194
  237    HZ2  LYS  33           1HZ      LYS  33   4.071  10.576  -0.130
  238    HZ3  LYS  33           2HZ      LYS  33   5.088   9.613  -1.090
  239    H    TYR  34           H        TYR  34   6.218   5.908  -2.859
  240    HA   TYR  34           HA       TYR  34   9.063   5.593  -3.326
  241    HB2  TYR  34           2HB      TYR  34   8.908   4.093  -5.120
  242    HB3  TYR  34           1HB      TYR  34   7.889   3.409  -3.885
  243    HD1  TYR  34           1HD      TYR  34   8.032   4.037  -7.275
  244    HD2  TYR  34           2HD      TYR  34   5.357   4.544  -3.948
  245    HE1  TYR  34           1HE      TYR  34   6.103   4.141  -8.822
  246    HE2  TYR  34           2HE      TYR  34   3.444   4.629  -5.492
  247    HH   TYR  34           HH       TYR  34   3.158   3.591  -8.137
  248    H    LYS  35           H        LYS  35   9.401   6.137  -5.839
  249    HA   LYS  35           HA       LYS  35   7.912   8.610  -6.277
  250    HB2  LYS  35           1HB      LYS  35  10.688   7.959  -7.173
  251    HB3  LYS  35           2HB      LYS  35   9.849   9.487  -7.405
  252    HG2  LYS  35           1HG      LYS  35  10.932  10.021  -5.445
  253    HG3  LYS  35           2HG      LYS  35   9.510   9.251  -4.751
  254    HD2  LYS  35           1HD      LYS  35  11.409   8.245  -3.682
  255    HD3  LYS  35           2HD      LYS  35  10.786   7.041  -4.811
  256    HE2  LYS  35           1HE      LYS  35  12.662   8.738  -6.195
  257    HE3  LYS  35           2HE      LYS  35  13.406   8.145  -4.714
  258    HZ1  LYS  35           3HZ      LYS  35  13.787   6.555  -6.411
  259    HZ2  LYS  35           1HZ      LYS  35  12.155   6.543  -6.871
  260    HZ3  LYS  35           2HZ      LYS  35  12.616   5.895  -5.370
  261    HA   PRO  36           HA       PRO  36   6.678   6.174  -9.918
  262    HB2  PRO  36           2HB      PRO  36   4.492   7.682 -10.542
  263    HB3  PRO  36           1HB      PRO  36   4.480   6.456  -9.260
  264    HG2  PRO  36           2HG      PRO  36   4.680   9.412  -9.056
  265    HG3  PRO  36           1HG      PRO  36   3.852   8.256  -7.999
  266    HD2  PRO  36           2HD      PRO  36   6.289   9.406  -7.467
  267    HD3  PRO  36           1HD      PRO  36   5.726   7.873  -6.747
  268    H    TYR  37           H        TYR  37   6.724   6.534 -12.178
  269    HA   TYR  37           HA       TYR  37   7.576   9.223 -13.048
  270    HB2  TYR  37           2HB      TYR  37   8.864   6.609 -13.864
  271    HB3  TYR  37           1HB      TYR  37   9.269   8.202 -14.505
  272    HD1  TYR  37           1HD      TYR  37   9.535   5.941 -11.631
  273    HD2  TYR  37           2HD      TYR  37  10.365   9.898 -13.085
  274    HE1  TYR  37           1HE      TYR  37  11.075   6.316  -9.730
  275    HE2  TYR  37           2HE      TYR  37  11.910  10.273 -11.182
  276    HH   TYR  37           HH       TYR  37  12.744   9.442  -9.301
  277    H    VAL  38           H        VAL  38   7.548   9.350 -15.514
  278    HA   VAL  38           HA       VAL  38   5.363   7.717 -16.642
  279    HB   VAL  38           HB       VAL  38   4.368   9.828 -15.961
  280   HG11  VAL  38          1HG1      VAL  38   6.919  10.851 -16.800
  281   HG12  VAL  38          2HG1      VAL  38   5.626  11.693 -15.948
  282   HG13  VAL  38          3HG1      VAL  38   5.648  11.667 -17.710
  283   HG21  VAL  38          3HG2      VAL  38   4.170   8.701 -18.428
  284   HG22  VAL  38          1HG2      VAL  38   4.697  10.327 -18.869
  285   HG23  VAL  38          2HG2      VAL  38   3.224  10.103 -17.924
  286    HA   PRO  39           HA       PRO  39   9.169   7.840 -19.344
  287    HB2  PRO  39           2HB      PRO  39   8.223   5.062 -19.825
  288    HB3  PRO  39           1HB      PRO  39   9.854   5.652 -19.453
  289    HG2  PRO  39           2HG      PRO  39   8.424   4.350 -17.636
  290    HG3  PRO  39           1HG      PRO  39   9.460   5.719 -17.185
  291    HD2  PRO  39           2HD      PRO  39   6.470   5.650 -17.511
  292    HD3  PRO  39           1HD      PRO  39   7.460   6.487 -16.299
  293    H    VAL  40           H        VAL  40   9.217   8.014 -21.598
  294    HA   VAL  40           HA       VAL  40   6.578   7.900 -22.928
  295    HB   VAL  40           HB       VAL  40   9.027   9.539 -23.618
  296   HG11  VAL  40          1HG1      VAL  40   7.832   9.028 -25.639
  297   HG12  VAL  40          2HG1      VAL  40   7.360  10.663 -25.173
  298   HG13  VAL  40          3HG1      VAL  40   6.275   9.310 -24.859
  299   HG21  VAL  40          3HG2      VAL  40   7.650  11.441 -22.886
  300   HG22  VAL  40          1HG2      VAL  40   7.832  10.282 -21.570
  301   HG23  VAL  40          2HG2      VAL  40   6.328  10.345 -22.487
  302    H    THR  41           H        THR  41   6.293   6.350 -24.381
  303    HA   THR  41           HA       THR  41   8.412   5.581 -26.198
  304    HB   THR  41           HB       THR  41   8.855   4.191 -24.169
  305    HG1  THR  41           1HG      THR  41   8.393   2.131 -25.521
  306   HG21  THR  41          3HG2      THR  41   6.128   4.041 -23.984
  307   HG22  THR  41          1HG2      THR  41   7.242   2.947 -23.165
  308   HG23  THR  41          2HG2      THR  41   6.516   2.477 -24.702
  309    H    THR  42           H        THR  42   7.640   4.071 -27.859
  310    HA   THR  42           HA       THR  42   5.047   4.777 -28.781
  311    HB   THR  42           HB       THR  42   6.244   4.230 -30.623
  312    HG1  THR  42           1HG      THR  42   5.477   1.670 -29.680
  313   HG21  THR  42          3HG2      THR  42   8.337   3.909 -29.541
  314   HG22  THR  42          1HG2      THR  42   8.087   2.454 -30.504
  315   HG23  THR  42          2HG2      THR  42   7.793   2.421 -28.765
  Start of MODEL   16
    1    HA   ASP   1           HA       ASP   1 -10.959   2.777   6.483
    2    HB2  ASP   1           1HB      ASP   1 -11.752   5.320   6.287
    3    HB3  ASP   1           2HB      ASP   1 -11.268   5.084   4.609
    4    H    CYS   2           H        CYS   2  -8.025   3.115   5.802
    5    HA   CYS   2           HA       CYS   2  -8.108   1.650   3.311
    6    HB2  CYS   2           2HB      CYS   2  -6.409   3.254   2.270
    7    HB3  CYS   2           1HB      CYS   2  -8.090   3.765   2.264
    8    H    ALA   3           H        ALA   3  -5.867   0.997   2.622
    9    HA   ALA   3           HA       ALA   3  -4.432   0.040   4.923
   10    HB1  ALA   3           3HB      ALA   3  -3.726  -1.508   3.451
   11    HB2  ALA   3           1HB      ALA   3  -2.977  -0.268   2.451
   12    HB3  ALA   3           2HB      ALA   3  -4.670  -0.690   2.209
   13    H    LYS   4           H        LYS   4  -3.278   1.477   6.055
   14    HA   LYS   4           HA       LYS   4  -2.001   3.778   4.940
   15    HB2  LYS   4           1HB      LYS   4  -1.827   2.406   7.625
   16    HB3  LYS   4           2HB      LYS   4  -0.892   3.847   7.226
   17    HG2  LYS   4           1HG      LYS   4  -2.870   5.143   6.858
   18    HG3  LYS   4           2HG      LYS   4  -3.894   3.710   6.893
   19    HD2  LYS   4           1HD      LYS   4  -4.138   4.812   9.023
   20    HD3  LYS   4           2HD      LYS   4  -3.175   3.360   9.287
   21    HE2  LYS   4           1HE      LYS   4  -1.129   4.644   9.359
   22    HE3  LYS   4           2HE      LYS   4  -1.972   6.109   8.852
   23    HZ1  LYS   4           3HZ      LYS   4  -3.062   4.815  11.197
   24    HZ2  LYS   4           1HZ      LYS   4  -2.758   6.458  10.904
   25    HZ3  LYS   4           2HZ      LYS   4  -1.494   5.437  11.398
   26    H    GLU   5           H        GLU   5   0.469   4.044   5.711
   27    HA   GLU   5           HA       GLU   5   2.014   2.515   3.957
   28    HB2  GLU   5           1HB      GLU   5   2.738   4.693   4.795
   29    HB3  GLU   5           2HB      GLU   5   2.895   4.031   6.422
   30    HG2  GLU   5           1HG      GLU   5   4.659   2.540   5.718
   31    HG3  GLU   5           2HG      GLU   5   4.417   2.970   4.029
   32    H    GLY   6           H        GLY   6   2.865   0.557   4.052
   33    HA2  GLY   6           1HA      GLY   6   3.933  -1.290   5.008
   34    HA3  GLY   6           2HA      GLY   6   3.515  -0.702   6.599
   35    H    GLU   7           H        GLU   7   0.706  -0.368   5.045
   36    HA   GLU   7           HA       GLU   7  -0.348  -2.827   6.182
   37    HB2  GLU   7           1HB      GLU   7  -1.792  -0.608   4.713
   38    HB3  GLU   7           2HB      GLU   7  -2.539  -1.899   5.651
   39    HG2  GLU   7           1HG      GLU   7  -0.594   0.135   6.777
   40    HG3  GLU   7           2HG      GLU   7  -2.346   0.225   6.942
   41    H    VAL   8           H        VAL   8  -1.544  -4.388   5.044
   42    HA   VAL   8           HA       VAL   8  -0.479  -5.025   2.477
   43    HB   VAL   8           HB       VAL   8  -2.701  -6.286   4.085
   44   HG11  VAL   8          1HG1      VAL   8  -1.403  -7.068   1.467
   45   HG12  VAL   8          2HG1      VAL   8  -3.122  -6.869   1.807
   46   HG13  VAL   8          3HG1      VAL   8  -2.240  -8.235   2.490
   47   HG21  VAL   8          3HG2      VAL   8  -0.510  -6.494   5.131
   48   HG22  VAL   8          1HG2      VAL   8   0.208  -7.004   3.603
   49   HG23  VAL   8          2HG2      VAL   8  -0.949  -8.050   4.426
   50    H    CYS   9           H        CYS   9  -1.270  -4.707   0.484
   51    HA   CYS   9           HA       CYS   9  -4.053  -3.730   0.241
   52    HB2  CYS   9           2HB      CYS   9  -3.473  -1.737  -0.617
   53    HB3  CYS   9           1HB      CYS   9  -1.863  -2.050   0.026
   54    H    SER  10           H        SER  10  -4.677  -3.658  -2.169
   55    HA   SER  10           HA       SER  10  -4.886  -4.687  -4.226
   56    HB2  SER  10           1HB      SER  10  -2.221  -4.784  -3.852
   57    HB3  SER  10           2HB      SER  10  -2.586  -6.503  -3.866
   58    HG   SER  10           HG       SER  10  -2.848  -4.569  -5.864
   59    H    TRP  11           H        TRP  11  -4.048  -6.622  -1.422
   60    HA   TRP  11           HA       TRP  11  -5.171  -9.067  -2.384
   61    HB2  TRP  11           2HB      TRP  11  -3.841  -8.146  -0.014
   62    HB3  TRP  11           1HB      TRP  11  -5.284  -9.041   0.444
   63    HD1  TRP  11           1HD      TRP  11  -1.837  -9.705  -0.056
   64    HE1  TRP  11           1HE      TRP  11  -1.396 -12.121  -0.843
   65    HE3  TRP  11           3HE      TRP  11  -6.527 -10.988  -1.575
   66    HZ2  TRP  11           2HZ      TRP  11  -2.852 -14.314  -1.977
   67    HZ3  TRP  11           3HZ      TRP  11  -6.979 -13.247  -2.507
   68    HH2  TRP  11           2HH      TRP  11  -5.148 -14.908  -2.710
   69    H    GLY  12           H        GLY  12  -6.786  -6.493  -2.430
   70    HA2  GLY  12           1HA      GLY  12  -9.239  -6.770  -2.620
   71    HA3  GLY  12           2HA      GLY  12  -9.185  -7.544  -1.043
   72    H    LYS  13           H        LYS  13  -6.930  -5.166  -0.931
   73    HA   LYS  13           HA       LYS  13  -8.847  -3.106  -0.017
   74    HB2  LYS  13           1HB      LYS  13  -6.281  -3.940   1.351
   75    HB3  LYS  13           2HB      LYS  13  -7.302  -2.589   1.843
   76    HG2  LYS  13           1HG      LYS  13  -9.213  -4.243   2.053
   77    HG3  LYS  13           2HG      LYS  13  -8.031  -5.529   1.827
   78    HD2  LYS  13           1HD      LYS  13  -7.802  -3.424   3.993
   79    HD3  LYS  13           2HD      LYS  13  -8.565  -4.991   4.244
   80    HE2  LYS  13           1HE      LYS  13  -6.408  -6.066   3.473
   81    HE3  LYS  13           2HE      LYS  13  -5.676  -4.462   3.500
   82    HZ1  LYS  13           3HZ      LYS  13  -6.813  -5.971   5.774
   83    HZ2  LYS  13           1HZ      LYS  13  -6.471  -4.312   5.859
   84    HZ3  LYS  13           2HZ      LYS  13  -5.218  -5.423   5.574
   85    H    LYS  14           H        LYS  14  -8.196  -0.962  -0.279
   86    HA   LYS  14           HA       LYS  14  -5.967  -0.583  -2.186
   87    HB2  LYS  14           1HB      LYS  14  -8.400   1.134  -1.622
   88    HB3  LYS  14           2HB      LYS  14  -7.128   1.524  -2.779
   89    HG2  LYS  14           1HG      LYS  14  -7.614  -0.550  -4.024
   90    HG3  LYS  14           2HG      LYS  14  -8.889  -0.943  -2.870
   91    HD2  LYS  14           1HD      LYS  14 -10.079   1.136  -3.471
   92    HD3  LYS  14           2HD      LYS  14  -8.810   1.524  -4.634
   93    HE2  LYS  14           1HE      LYS  14  -9.308  -0.548  -5.877
   94    HE3  LYS  14           2HE      LYS  14 -10.572  -0.945  -4.715
   95    HZ1  LYS  14           3HZ      LYS  14 -10.497   1.269  -6.666
   96    HZ2  LYS  14           1HZ      LYS  14 -11.513   1.333  -5.311
   97    HZ3  LYS  14           2HZ      LYS  14 -11.696   0.086  -6.448
   98    H    CYS  15           H        CYS  15  -4.300   0.671  -1.689
   99    HA   CYS  15           HA       CYS  15  -3.780   1.396   0.991
  100    HB2  CYS  15           2HB      CYS  15  -2.157   0.940  -1.000
  101    HB3  CYS  15           1HB      CYS  15  -2.388   2.650  -1.343
  102    H    CYS  16           H        CYS  16  -3.492   3.524   1.864
  103    HA   CYS  16           HA       CYS  16  -5.651   5.261   1.440
  104    HB2  CYS  16           2HB      CYS  16  -2.976   5.685   2.784
  105    HB3  CYS  16           1HB      CYS  16  -4.295   6.851   2.849
  106    H    ASP  17           H        ASP  17  -2.331   5.361   0.260
  107    HA   ASP  17           HA       ASP  17  -3.180   7.386  -1.716
  108    HB2  ASP  17           1HB      ASP  17  -0.706   7.417   0.009
  109    HB3  ASP  17           2HB      ASP  17  -0.826   8.345  -1.485
  110    H    LEU  18           H        LEU  18  -3.395   5.609  -3.182
  111    HA   LEU  18           HA       LEU  18  -1.257   3.832  -3.791
  112    HB2  LEU  18           1HB      LEU  18  -3.759   4.651  -5.258
  113    HB3  LEU  18           2HB      LEU  18  -2.618   3.498  -5.940
  114    HG   LEU  18           HG       LEU  18  -3.773   3.165  -3.160
  115   HD11  LEU  18          1HD1      LEU  18  -5.111   1.342  -4.691
  116   HD12  LEU  18          2HD1      LEU  18  -5.019   2.713  -5.800
  117   HD13  LEU  18          3HD1      LEU  18  -5.772   2.907  -4.216
  118   HD21  LEU  18          3HD2      LEU  18  -3.324   0.689  -3.934
  119   HD22  LEU  18          1HD2      LEU  18  -1.971   1.670  -3.388
  120   HD23  LEU  18          2HD2      LEU  18  -2.248   1.434  -5.108
  121    H    ASP  19           H        ASP  19  -1.794   7.107  -4.500
  122    HA   ASP  19           HA       ASP  19  -0.352   7.194  -6.992
  123    HB2  ASP  19           1HB      ASP  19  -1.132   9.390  -5.063
  124    HB3  ASP  19           2HB      ASP  19  -0.473   9.645  -6.679
  125    H    ASN  20           H        ASN  20   0.418   7.572  -3.585
  126    HA   ASN  20           HA       ASN  20   3.217   8.189  -4.304
  127    HB2  ASN  20           1HB      ASN  20   1.772   8.574  -1.678
  128    HB3  ASN  20           2HB      ASN  20   3.449   8.981  -1.984
  129   HD21  ASN  20          1HD2      ASN  20   0.814  11.759  -2.655
  130   HD22  ASN  20          2HD2      ASN  20   0.743  10.534  -1.491
  131    H    PHE  21           H        PHE  21   1.183   5.715  -3.223
  132    HA   PHE  21           HA       PHE  21   3.501   4.173  -2.241
  133    HB2  PHE  21           2HB      PHE  21   0.659   4.091  -1.228
  134    HB3  PHE  21           1HB      PHE  21   1.903   2.927  -0.788
  135    HD1  PHE  21           1HD      PHE  21   1.293   6.609  -0.896
  136    HD2  PHE  21           2HD      PHE  21   3.293   3.362   1.059
  137    HE1  PHE  21           1HE      PHE  21   2.064   8.160   0.872
  138    HE2  PHE  21           2HE      PHE  21   4.082   4.915   2.821
  139    HZ   PHE  21           HZ       PHE  21   3.468   7.312   2.733
  140    H    TYR  22           H        TYR  22   3.382   1.872  -2.585
  141    HA   TYR  22           HA       TYR  22   1.525   1.023  -4.703
  142    HB2  TYR  22           2HB      TYR  22   3.335   0.042  -5.987
  143    HB3  TYR  22           1HB      TYR  22   3.661   1.759  -5.756
  144    HD1  TYR  22           1HD      TYR  22   4.511  -1.651  -4.533
  145    HD2  TYR  22           2HD      TYR  22   5.543   2.515  -4.564
  146    HE1  TYR  22           1HE      TYR  22   6.701  -2.182  -3.652
  147    HE2  TYR  22           2HE      TYR  22   7.734   1.966  -3.624
  148    HH   TYR  22           HH       TYR  22   8.996   0.344  -2.683
  149    H    CYS  23           H        CYS  23   1.586  -1.352  -5.037
  150    HA   CYS  23           HA       CYS  23   1.923  -2.696  -2.456
  151    HB2  CYS  23           2HB      CYS  23  -0.096  -2.805  -4.456
  152    HB3  CYS  23           1HB      CYS  23   0.641  -4.405  -4.308
  153    HA   PRO  24           HA       PRO  24   5.752  -4.360  -4.365
  154    HB2  PRO  24           2HB      PRO  24   5.500  -6.097  -1.943
  155    HB3  PRO  24           1HB      PRO  24   6.908  -5.218  -2.554
  156    HG2  PRO  24           2HG      PRO  24   5.581  -4.324  -0.474
  157    HG3  PRO  24           1HG      PRO  24   6.213  -3.222  -1.687
  158    HD2  PRO  24           2HD      PRO  24   3.399  -4.096  -1.230
  159    HD3  PRO  24           1HD      PRO  24   4.029  -2.536  -1.779
  160    H    MET  25           H        MET  25   6.231  -6.214  -5.520
  161    HA   MET  25           HA       MET  25   4.007  -8.027  -6.008
  162    HB2  MET  25           1HB      MET  25   5.564  -7.006  -7.793
  163    HB3  MET  25           2HB      MET  25   6.735  -8.220  -7.273
  164    HG2  MET  25           1HG      MET  25   5.510  -9.171  -9.112
  165    HG3  MET  25           2HG      MET  25   4.940  -9.968  -7.648
  166    HE1  MET  25           3HE      MET  25   1.821  -9.813  -9.911
  167    HE2  MET  25           1HE      MET  25   2.508 -10.758  -8.583
  168    HE3  MET  25           2HE      MET  25   3.485 -10.385 -10.002
  169    H    GLU  26           H        GLU  26   4.299  -8.772  -3.655
  170    HA   GLU  26           HA       GLU  26   6.006 -11.165  -3.680
  171    HB2  GLU  26           1HB      GLU  26   5.705  -9.225  -1.374
  172    HB3  GLU  26           2HB      GLU  26   6.528 -10.785  -1.292
  173    HG2  GLU  26           1HG      GLU  26   8.098 -10.049  -3.049
  174    HG3  GLU  26           2HG      GLU  26   7.285  -8.487  -3.119
  175    H    PHE  27           H        PHE  27   5.355 -12.443  -1.541
  176    HA   PHE  27           HA       PHE  27   2.760 -13.428  -1.959
  177    HB2  PHE  27           2HB      PHE  27   4.551 -14.750  -0.892
  178    HB3  PHE  27           1HB      PHE  27   4.476 -13.697   0.520
  179    HD1  PHE  27           1HD      PHE  27   2.318 -15.866  -1.628
  180    HD2  PHE  27           2HD      PHE  27   2.986 -14.194   2.272
  181    HE1  PHE  27           1HE      PHE  27   0.447 -17.221  -0.730
  182    HE2  PHE  27           2HE      PHE  27   1.110 -15.550   3.171
  183    HZ   PHE  27           HZ       PHE  27  -0.157 -17.063   1.670
  184    H    ILE  28           H        ILE  28   4.031 -11.212   0.507
  185    HA   ILE  28           HA       ILE  28   1.249 -10.410   1.117
  186    HB   ILE  28           HB       ILE  28   2.242  -9.865   3.435
  187   HG12  ILE  28          1HG1      ILE  28   4.207 -11.996   2.539
  188   HG13  ILE  28          2HG1      ILE  28   4.610 -10.283   2.633
  189   HG21  ILE  28          1HG2      ILE  28   0.697 -11.549   3.586
  190   HG22  ILE  28          2HG2      ILE  28   2.129 -12.537   3.866
  191   HG23  ILE  28          3HG2      ILE  28   1.410 -12.461   2.259
  192   HD11  ILE  28          3HD1      ILE  28   4.997 -10.476   4.840
  193   HD12  ILE  28          1HD1      ILE  28   4.645 -12.199   4.736
  194   HD13  ILE  28          2HD1      ILE  28   3.353 -11.057   5.096
  195    HA   PRO  29           HA       PRO  29   3.653  -6.748  -0.511
  196    HB2  PRO  29           2HB      PRO  29   0.851  -6.009  -1.180
  197    HB3  PRO  29           1HB      PRO  29   2.306  -5.919  -2.187
  198    HG2  PRO  29           2HG      PRO  29   0.458  -7.784  -2.585
  199    HG3  PRO  29           1HG      PRO  29   2.182  -8.160  -2.767
  200    HD2  PRO  29           2HD      PRO  29   0.327  -8.864  -0.522
  201    HD3  PRO  29           1HD      PRO  29   1.666  -9.800  -1.218
  202    H    HIS  30           H        HIS  30   3.761  -4.670   0.361
  203    HA   HIS  30           HA       HIS  30   1.673  -3.898   2.283
  204    HB2  HIS  30           1HB      HIS  30   4.636  -3.913   2.898
  205    HB3  HIS  30           2HB      HIS  30   3.390  -3.179   3.898
  206    HD1  HIS  30           HD1      HIS  30   4.997  -6.406   3.216
  207    HD2  HIS  30           HD2      HIS  30   1.402  -5.093   4.865
  208    HE1  HIS  30           HE1      HIS  30   4.025  -8.379   4.474
  209    H    CYS  31           H        CYS  31   1.194  -1.749   2.267
  210    HA   CYS  31           HA       CYS  31   1.714  -0.118   0.141
  211    HB2  CYS  31           2HB      CYS  31   1.160   0.543   3.023
  212    HB3  CYS  31           1HB      CYS  31   1.349   1.812   1.822
  213    H    LYS  32           H        LYS  32   3.538   0.641  -0.695
  214    HA   LYS  32           HA       LYS  32   5.685   1.515   1.126
  215    HB2  LYS  32           1HB      LYS  32   6.254  -0.729   0.278
  216    HB3  LYS  32           2HB      LYS  32   6.035  -0.161  -1.364
  217    HG2  LYS  32           1HG      LYS  32   8.424  -0.181  -0.737
  218    HG3  LYS  32           2HG      LYS  32   7.876   1.448  -1.089
  219    HD2  LYS  32           1HD      LYS  32   7.913   2.098   1.157
  220    HD3  LYS  32           2HD      LYS  32   7.771   0.441   1.744
  221    HE2  LYS  32           1HE      LYS  32  10.048   1.326   2.105
  222    HE3  LYS  32           2HE      LYS  32  10.068  -0.026   0.973
  223    HZ1  LYS  32           3HZ      LYS  32   9.742   1.958  -0.725
  224    HZ2  LYS  32           1HZ      LYS  32  11.279   1.448  -0.217
  225    HZ3  LYS  32           2HZ      LYS  32  10.559   2.810   0.498
  226    H    LYS  33           H        LYS  33   6.662   3.389   0.558
  227    HA   LYS  33           HA       LYS  33   5.509   4.979  -1.498
  228    HB2  LYS  33           1HB      LYS  33   7.371   5.345   0.690
  229    HB3  LYS  33           2HB      LYS  33   7.907   6.195  -0.761
  230    HG2  LYS  33           1HG      LYS  33   5.877   7.434  -0.913
  231    HG3  LYS  33           2HG      LYS  33   5.064   6.389   0.252
  232    HD2  LYS  33           1HD      LYS  33   6.373   7.225   2.064
  233    HD3  LYS  33           2HD      LYS  33   7.479   8.053   0.972
  234    HE2  LYS  33           1HE      LYS  33   5.747   9.600   0.289
  235    HE3  LYS  33           2HE      LYS  33   4.529   8.704   1.196
  236    HZ1  LYS  33           3HZ      LYS  33   5.150  10.507   2.548
  237    HZ2  LYS  33           1HZ      LYS  33   6.805  10.282   2.251
  238    HZ3  LYS  33           2HZ      LYS  33   5.956   9.164   3.209
  239    H    TYR  34           H        TYR  34   6.138   5.401  -3.532
  240    HA   TYR  34           HA       TYR  34   7.686   3.645  -5.005
  241    HB2  TYR  34           2HB      TYR  34   7.175   6.553  -5.506
  242    HB3  TYR  34           1HB      TYR  34   7.868   5.458  -6.693
  243    HD1  TYR  34           1HD      TYR  34   4.835   6.413  -4.859
  244    HD2  TYR  34           2HD      TYR  34   6.543   3.608  -7.625
  245    HE1  TYR  34           1HE      TYR  34   2.572   5.629  -5.457
  246    HE2  TYR  34           2HE      TYR  34   4.270   2.824  -8.230
  247    HH   TYR  34           HH       TYR  34   2.036   3.410  -8.121
  248    H    LYS  35           H        LYS  35   8.936   6.860  -5.131
  249    HA   LYS  35           HA       LYS  35  11.557   5.904  -4.151
  250    HB2  LYS  35           1HB      LYS  35  10.962   7.706  -6.500
  251    HB3  LYS  35           2HB      LYS  35  12.571   7.355  -5.875
  252    HG2  LYS  35           1HG      LYS  35  12.563   5.187  -6.645
  253    HG3  LYS  35           2HG      LYS  35  10.819   5.023  -6.484
  254    HD2  LYS  35           1HD      LYS  35  11.444   5.066  -8.849
  255    HD3  LYS  35           2HD      LYS  35  10.503   6.504  -8.439
  256    HE2  LYS  35           1HE      LYS  35  12.551   7.826  -8.255
  257    HE3  LYS  35           2HE      LYS  35  13.536   6.393  -8.544
  258    HZ1  LYS  35           3HZ      LYS  35  13.308   6.691 -10.709
  259    HZ2  LYS  35           1HZ      LYS  35  12.426   8.112 -10.428
  260    HZ3  LYS  35           2HZ      LYS  35  11.615   6.627 -10.581
  261    HA   PRO  36           HA       PRO  36  10.398   9.762  -1.865
  262    HB2  PRO  36           2HB      PRO  36  10.964   8.878   0.630
  263    HB3  PRO  36           1HB      PRO  36   9.421   8.553  -0.177
  264    HG2  PRO  36           2HG      PRO  36  11.758   6.768   0.221
  265    HG3  PRO  36           1HG      PRO  36  10.030   6.391   0.259
  266    HD2  PRO  36           2HD      PRO  36  11.708   5.898  -1.893
  267    HD3  PRO  36           1HD      PRO  36   9.939   6.032  -2.007
  268    H    TYR  37           H        TYR  37  11.786  11.385  -1.329
  269    HA   TYR  37           HA       TYR  37  13.759  12.520  -0.995
  270    HB2  TYR  37           2HB      TYR  37  15.112  10.055   0.002
  271    HB3  TYR  37           1HB      TYR  37  15.155  11.696   0.644
  272    HD1  TYR  37           1HD      TYR  37  14.461   8.823   1.926
  273    HD2  TYR  37           2HD      TYR  37  12.171  12.245   0.691
  274    HE1  TYR  37           1HE      TYR  37  12.666   8.206   3.521
  275    HE2  TYR  37           2HE      TYR  37  10.383  11.621   2.273
  276    HH   TYR  37           HH       TYR  37  10.056  10.342   4.265
  277    H    VAL  38           H        VAL  38  13.379  11.697  -3.551
  278    HA   VAL  38           HA       VAL  38  15.474  10.099  -4.575
  279    HB   VAL  38           HB       VAL  38  14.812  11.162  -6.789
  280   HG11  VAL  38          1HG1      VAL  38  12.228  10.320  -6.068
  281   HG12  VAL  38          2HG1      VAL  38  13.318   9.432  -5.003
  282   HG13  VAL  38          3HG1      VAL  38  13.515   9.323  -6.748
  283   HG21  VAL  38          3HG2      VAL  38  12.323  12.221  -5.754
  284   HG22  VAL  38          1HG2      VAL  38  13.512  13.006  -6.794
  285   HG23  VAL  38          2HG2      VAL  38  13.692  13.077  -5.042
  286    HA   PRO  39           HA       PRO  39  19.052  12.726  -4.673
  287    HB2  PRO  39           2HB      PRO  39  19.134  12.224  -7.624
  288    HB3  PRO  39           1HB      PRO  39  20.422  12.054  -6.415
  289    HG2  PRO  39           2HG      PRO  39  19.167   9.937  -7.417
  290    HG3  PRO  39           1HG      PRO  39  19.688   9.996  -5.725
  291    HD2  PRO  39           2HD      PRO  39  16.938  10.187  -6.850
  292    HD3  PRO  39           1HD      PRO  39  17.493   9.603  -5.265
  293    H    VAL  40           H        VAL  40  19.406  14.894  -4.937
  294    HA   VAL  40           HA       VAL  40  18.875  17.092  -5.388
  295    HB   VAL  40           HB       VAL  40  18.532  15.973  -8.180
  296   HG11  VAL  40          1HG1      VAL  40  18.160  18.115  -8.761
  297   HG12  VAL  40          2HG1      VAL  40  19.740  18.546  -8.105
  298   HG13  VAL  40          3HG1      VAL  40  18.310  18.617  -7.077
  299   HG21  VAL  40          3HG2      VAL  40  20.982  16.762  -8.321
  300   HG22  VAL  40          1HG2      VAL  40  20.677  15.267  -7.437
  301   HG23  VAL  40          2HG2      VAL  40  20.955  16.771  -6.558
  302    H    THR  41           H        THR  41  16.929  17.141  -4.175
  303    HA   THR  41           HA       THR  41  14.399  16.365  -5.098
  304    HB   THR  41           HB       THR  41  14.838  16.956  -2.756
  305    HG1  THR  41           1HG      THR  41  12.892  18.326  -4.235
  306   HG21  THR  41          3HG2      THR  41  15.366  19.136  -2.045
  307   HG22  THR  41          1HG2      THR  41  14.853  19.856  -3.571
  308   HG23  THR  41          2HG2      THR  41  16.353  18.931  -3.492
  309    H    THR  42           H        THR  42  12.748  17.446  -6.153
  310    HA   THR  42           HA       THR  42  13.504  19.267  -8.188
  311    HB   THR  42           HB       THR  42  11.264  19.183  -8.886
  312    HG1  THR  42           1HG      THR  42   9.639  19.210  -7.530
  313   HG21  THR  42          3HG2      THR  42  12.503  16.918  -8.593
  314   HG22  THR  42          1HG2      THR  42  10.767  16.886  -8.902
  315   HG23  THR  42          2HG2      THR  42  11.377  16.649  -7.265
  Start of MODEL   17
    1    HA   ASP   1           HA       ASP   1 -10.776   3.063   5.465
    2    HB2  ASP   1           1HB      ASP   1 -10.737   0.611   5.698
    3    HB3  ASP   1           2HB      ASP   1 -12.368   1.238   5.933
    4    H    CYS   2           H        CYS   2  -8.635   2.412   5.068
    5    HA   CYS   2           HA       CYS   2  -7.882   1.384   2.462
    6    HB2  CYS   2           2HB      CYS   2  -6.439   3.292   1.901
    7    HB3  CYS   2           1HB      CYS   2  -8.131   3.781   1.985
    8    H    ALA   3           H        ALA   3  -5.485   1.106   2.303
    9    HA   ALA   3           HA       ALA   3  -4.432   0.344   4.940
   10    HB1  ALA   3           3HB      ALA   3  -2.690  -0.506   2.881
   11    HB2  ALA   3           1HB      ALA   3  -4.331  -0.810   2.310
   12    HB3  ALA   3           2HB      ALA   3  -3.788  -1.497   3.840
   13    H    LYS   4           H        LYS   4  -2.730   1.320   5.840
   14    HA   LYS   4           HA       LYS   4  -1.545   3.611   4.453
   15    HB2  LYS   4           1HB      LYS   4  -1.338   2.715   7.338
   16    HB3  LYS   4           2HB      LYS   4  -0.641   4.193   6.677
   17    HG2  LYS   4           1HG      LYS   4  -2.902   4.949   6.005
   18    HG3  LYS   4           2HG      LYS   4  -3.589   3.489   6.720
   19    HD2  LYS   4           1HD      LYS   4  -2.618   4.137   8.917
   20    HD3  LYS   4           2HD      LYS   4  -2.026   5.632   8.191
   21    HE2  LYS   4           1HE      LYS   4  -4.936   4.785   8.316
   22    HE3  LYS   4           2HE      LYS   4  -4.178   5.986   9.362
   23    HZ1  LYS   4           3HZ      LYS   4  -5.073   7.277   7.703
   24    HZ2  LYS   4           1HZ      LYS   4  -4.763   6.139   6.484
   25    HZ3  LYS   4           2HZ      LYS   4  -3.487   7.056   7.131
   26    H    GLU   5           H        GLU   5   0.892   3.807   5.704
   27    HA   GLU   5           HA       GLU   5   2.508   2.116   4.139
   28    HB2  GLU   5           1HB      GLU   5   3.239   4.327   4.929
   29    HB3  GLU   5           2HB      GLU   5   3.285   3.710   6.584
   30    HG2  GLU   5           1HG      GLU   5   4.999   2.086   5.974
   31    HG3  GLU   5           2HG      GLU   5   4.894   2.566   4.280
   32    H    GLY   6           H        GLY   6   3.204   0.125   4.397
   33    HA2  GLY   6           1HA      GLY   6   4.043  -1.740   5.539
   34    HA3  GLY   6           2HA      GLY   6   3.600  -0.991   7.060
   35    H    GLU   7           H        GLU   7   0.901  -0.565   5.340
   36    HA   GLU   7           HA       GLU   7  -0.391  -2.878   6.546
   37    HB2  GLU   7           1HB      GLU   7  -1.567  -0.570   4.979
   38    HB3  GLU   7           2HB      GLU   7  -2.482  -1.786   5.872
   39    HG2  GLU   7           1HG      GLU   7  -0.429   0.070   7.111
   40    HG3  GLU   7           2HG      GLU   7  -2.171   0.324   7.172
   41    H    VAL   8           H        VAL   8  -1.536  -4.447   5.441
   42    HA   VAL   8           HA       VAL   8  -0.453  -5.349   3.019
   43    HB   VAL   8           HB       VAL   8  -3.034  -6.084   4.398
   44   HG11  VAL   8          1HG1      VAL   8  -3.457  -6.910   2.283
   45   HG12  VAL   8          2HG1      VAL   8  -2.486  -8.239   2.919
   46   HG13  VAL   8          3HG1      VAL   8  -1.746  -7.028   1.871
   47   HG21  VAL   8          3HG2      VAL   8  -1.803  -7.857   5.362
   48   HG22  VAL   8          1HG2      VAL   8  -0.707  -6.480   5.475
   49   HG23  VAL   8          2HG2      VAL   8  -0.481  -7.685   4.207
   50    H    CYS   9           H        CYS   9  -1.108  -5.258   0.899
   51    HA   CYS   9           HA       CYS   9  -3.537  -3.688   0.292
   52    HB2  CYS   9           2HB      CYS   9  -2.295  -2.490  -1.476
   53    HB3  CYS   9           1HB      CYS   9  -1.646  -2.147   0.129
   54    H    SER  10           H        SER  10  -4.159  -3.921  -2.027
   55    HA   SER  10           HA       SER  10  -4.777  -5.209  -3.813
   56    HB2  SER  10           1HB      SER  10  -2.062  -6.438  -3.348
   57    HB3  SER  10           2HB      SER  10  -3.124  -6.900  -4.669
   58    HG   SER  10           HG       SER  10  -3.119  -4.337  -4.770
   59    H    TRP  11           H        TRP  11  -3.723  -6.835  -0.904
   60    HA   TRP  11           HA       TRP  11  -4.969  -9.340  -1.522
   61    HB2  TRP  11           2HB      TRP  11  -3.192  -8.374   0.430
   62    HB3  TRP  11           1HB      TRP  11  -4.622  -8.871   1.319
   63    HD1  TRP  11           1HD      TRP  11  -1.560 -10.232  -0.169
   64    HE1  TRP  11           1HE      TRP  11  -1.681 -12.805  -0.303
   65    HE3  TRP  11           3HE      TRP  11  -6.528 -10.916   0.729
   66    HZ2  TRP  11           2HZ      TRP  11  -3.639 -14.883  -0.057
   67    HZ3  TRP  11           3HZ      TRP  11  -7.503 -13.198   0.778
   68    HH2  TRP  11           2HH      TRP  11  -6.065 -15.181   0.385
   69    H    GLY  12           H        GLY  12  -6.762  -7.387  -2.106
   70    HA2  GLY  12           1HA      GLY  12  -9.109  -7.331  -1.837
   71    HA3  GLY  12           2HA      GLY  12  -8.922  -7.992  -0.216
   72    H    LYS  13           H        LYS  13  -6.645  -5.644  -0.466
   73    HA   LYS  13           HA       LYS  13  -8.471  -3.507   0.463
   74    HB2  LYS  13           1HB      LYS  13  -5.786  -4.275   1.628
   75    HB3  LYS  13           2HB      LYS  13  -6.724  -2.855   2.093
   76    HG2  LYS  13           1HG      LYS  13  -8.594  -4.308   2.784
   77    HG3  LYS  13           2HG      LYS  13  -7.658  -5.732   2.324
   78    HD2  LYS  13           1HD      LYS  13  -5.923  -5.122   3.977
   79    HD3  LYS  13           2HD      LYS  13  -6.871  -3.710   4.446
   80    HE2  LYS  13           1HE      LYS  13  -8.729  -5.180   5.137
   81    HE3  LYS  13           2HE      LYS  13  -7.787  -6.595   4.663
   82    HZ1  LYS  13           3HZ      LYS  13  -7.149  -6.531   6.802
   83    HZ2  LYS  13           1HZ      LYS  13  -7.522  -4.887   6.992
   84    HZ3  LYS  13           2HZ      LYS  13  -6.060  -5.346   6.258
   85    H    LYS  14           H        LYS  14  -7.922  -1.408  -0.109
   86    HA   LYS  14           HA       LYS  14  -5.801  -1.152  -2.157
   87    HB2  LYS  14           1HB      LYS  14  -8.170   0.669  -1.698
   88    HB3  LYS  14           2HB      LYS  14  -7.097   0.635  -3.091
   89    HG2  LYS  14           1HG      LYS  14  -8.919  -1.649  -2.281
   90    HG3  LYS  14           2HG      LYS  14  -9.301  -0.465  -3.525
   91    HD2  LYS  14           1HD      LYS  14  -7.165  -1.154  -4.705
   92    HD3  LYS  14           2HD      LYS  14  -7.033  -2.475  -3.543
   93    HE2  LYS  14           1HE      LYS  14  -9.252  -3.305  -4.221
   94    HE3  LYS  14           2HE      LYS  14  -9.380  -1.997  -5.396
   95    HZ1  LYS  14           3HZ      LYS  14  -8.495  -3.540  -6.751
   96    HZ2  LYS  14           1HZ      LYS  14  -7.791  -4.427  -5.488
   97    HZ3  LYS  14           2HZ      LYS  14  -7.026  -3.025  -6.070
   98    H    CYS  15           H        CYS  15  -4.279   0.295  -1.970
   99    HA   CYS  15           HA       CYS  15  -3.650   1.344   0.578
  100    HB2  CYS  15           2HB      CYS  15  -2.510   1.415  -2.149
  101    HB3  CYS  15           1HB      CYS  15  -2.034   2.703  -1.063
  102    H    CYS  16           H        CYS  16  -3.666   3.450   1.335
  103    HA   CYS  16           HA       CYS  16  -5.846   5.073   0.512
  104    HB2  CYS  16           2HB      CYS  16  -4.204   4.859   2.754
  105    HB3  CYS  16           1HB      CYS  16  -3.873   6.469   2.115
  106    H    ASP  17           H        ASP  17  -2.367   5.797   0.541
  107    HA   ASP  17           HA       ASP  17  -2.811   7.867  -1.492
  108    HB2  ASP  17           1HB      ASP  17  -0.475   7.222   0.310
  109    HB3  ASP  17           2HB      ASP  17  -0.378   8.405  -0.994
  110    H    LEU  18           H        LEU  18  -3.273   5.936  -2.962
  111    HA   LEU  18           HA       LEU  18  -1.216   4.213  -3.822
  112    HB2  LEU  18           1HB      LEU  18  -3.784   5.192  -5.039
  113    HB3  LEU  18           2HB      LEU  18  -2.681   4.187  -5.976
  114    HG   LEU  18           HG       LEU  18  -3.446   3.324  -3.196
  115   HD11  LEU  18          1HD1      LEU  18  -5.386   2.109  -4.119
  116   HD12  LEU  18          2HD1      LEU  18  -5.100   2.845  -5.698
  117   HD13  LEU  18          3HD1      LEU  18  -5.584   3.849  -4.330
  118   HD21  LEU  18          3HD2      LEU  18  -1.736   2.015  -4.327
  119   HD22  LEU  18          1HD2      LEU  18  -2.720   1.906  -5.786
  120   HD23  LEU  18          2HD2      LEU  18  -3.222   1.070  -4.322
  121    H    ASP  19           H        ASP  19  -1.696   7.559  -4.302
  122    HA   ASP  19           HA       ASP  19  -0.349   7.805  -6.827
  123    HB2  ASP  19           1HB      ASP  19  -1.054   9.789  -4.661
  124    HB3  ASP  19           2HB      ASP  19  -0.240  10.246  -6.157
  125    H    ASN  20           H        ASN  20   0.613   8.075  -3.423
  126    HA   ASN  20           HA       ASN  20   3.409   8.466  -4.290
  127    HB2  ASN  20           1HB      ASN  20   2.149   8.925  -1.580
  128    HB3  ASN  20           2HB      ASN  20   3.831   9.215  -1.987
  129   HD21  ASN  20          1HD2      ASN  20   1.261  12.129  -2.582
  130   HD22  ASN  20          2HD2      ASN  20   1.072  10.859  -1.478
  131    H    PHE  21           H        PHE  21   1.295   6.096  -3.269
  132    HA   PHE  21           HA       PHE  21   3.533   4.402  -2.362
  133    HB2  PHE  21           2HB      PHE  21   0.719   4.432  -1.263
  134    HB3  PHE  21           1HB      PHE  21   1.929   3.213  -0.885
  135    HD1  PHE  21           1HD      PHE  21   1.523   6.940  -0.918
  136    HD2  PHE  21           2HD      PHE  21   3.306   3.529   0.988
  137    HE1  PHE  21           1HE      PHE  21   2.404   8.406   0.873
  138    HE2  PHE  21           2HE      PHE  21   4.198   4.997   2.771
  139    HZ   PHE  21           HZ       PHE  21   3.747   7.437   2.717
  140    H    TYR  22           H        TYR  22   3.360   2.177  -2.849
  141    HA   TYR  22           HA       TYR  22   1.377   1.490  -4.929
  142    HB2  TYR  22           2HB      TYR  22   3.100   0.311  -6.183
  143    HB3  TYR  22           1HB      TYR  22   3.560   2.000  -5.992
  144    HD1  TYR  22           1HD      TYR  22   4.177  -1.458  -4.739
  145    HD2  TYR  22           2HD      TYR  22   5.482   2.633  -4.789
  146    HE1  TYR  22           1HE      TYR  22   6.339  -2.137  -3.865
  147    HE2  TYR  22           2HE      TYR  22   7.642   1.940  -3.870
  148    HH   TYR  22           HH       TYR  22   8.892  -0.887  -4.014
  149    H    CYS  23           H        CYS  23   1.344  -0.934  -5.301
  150    HA   CYS  23           HA       CYS  23   1.427  -2.233  -2.689
  151    HB2  CYS  23           2HB      CYS  23  -0.737  -2.096  -4.004
  152    HB3  CYS  23           1HB      CYS  23  -0.003  -3.235  -5.131
  153    HA   PRO  24           HA       PRO  24   5.124  -4.176  -4.548
  154    HB2  PRO  24           2HB      PRO  24   5.090  -5.756  -2.042
  155    HB3  PRO  24           1HB      PRO  24   6.396  -4.790  -2.747
  156    HG2  PRO  24           2HG      PRO  24   5.033  -3.995  -0.598
  157    HG3  PRO  24           1HG      PRO  24   5.657  -2.854  -1.789
  158    HD2  PRO  24           2HD      PRO  24   2.863  -3.780  -1.340
  159    HD3  PRO  24           1HD      PRO  24   3.471  -2.211  -1.897
  160    H    MET  25           H        MET  25   5.871  -6.662  -4.329
  161    HA   MET  25           HA       MET  25   3.551  -8.431  -4.681
  162    HB2  MET  25           1HB      MET  25   4.138  -7.593  -6.927
  163    HB3  MET  25           2HB      MET  25   5.784  -8.188  -6.706
  164    HG2  MET  25           1HG      MET  25   4.994 -10.474  -6.516
  165    HG3  MET  25           2HG      MET  25   3.316  -9.937  -6.543
  166    HE1  MET  25           3HE      MET  25   6.438  -8.697  -8.906
  167    HE2  MET  25           1HE      MET  25   6.359 -10.143  -9.920
  168    HE3  MET  25           2HE      MET  25   6.602 -10.295  -8.184
  169    H    GLU  26           H        GLU  26   4.078  -9.570  -2.814
  170    HA   GLU  26           HA       GLU  26   6.151 -11.550  -3.097
  171    HB2  GLU  26           1HB      GLU  26   7.368  -9.485  -2.227
  172    HB3  GLU  26           2HB      GLU  26   6.430  -9.675  -0.745
  173    HG2  GLU  26           1HG      GLU  26   7.329 -11.945  -0.447
  174    HG3  GLU  26           2HG      GLU  26   8.226 -11.800  -1.955
  175    H    PHE  27           H        PHE  27   3.618 -12.149  -2.963
  176    HA   PHE  27           HA       PHE  27   2.116 -13.496  -1.874
  177    HB2  PHE  27           2HB      PHE  27   4.361 -14.433  -0.961
  178    HB3  PHE  27           1HB      PHE  27   3.927 -13.574   0.513
  179    HD1  PHE  27           1HD      PHE  27   2.643 -16.057  -1.960
  180    HD2  PHE  27           2HD      PHE  27   2.359 -14.489   2.029
  181    HE1  PHE  27           1HE      PHE  27   1.096 -17.895  -1.348
  182    HE2  PHE  27           2HE      PHE  27   0.811 -16.329   2.642
  183    HZ   PHE  27           HZ       PHE  27   0.178 -18.031   0.952
  184    H    ILE  28           H        ILE  28   3.639 -11.092   0.263
  185    HA   ILE  28           HA       ILE  28   0.952 -10.272   1.134
  186    HB   ILE  28           HB       ILE  28   2.053  -9.846   3.412
  187   HG12  ILE  28          1HG1      ILE  28   3.971 -11.952   2.376
  188   HG13  ILE  28          2HG1      ILE  28   4.386 -10.243   2.489
  189   HG21  ILE  28          1HG2      ILE  28   1.999 -12.564   3.709
  190   HG22  ILE  28          2HG2      ILE  28   1.111 -12.371   2.200
  191   HG23  ILE  28          3HG2      ILE  28   0.559 -11.549   3.658
  192   HD11  ILE  28          3HD1      ILE  28   4.857 -10.477   4.676
  193   HD12  ILE  28          1HD1      ILE  28   4.514 -12.200   4.546
  194   HD13  ILE  28          2HD1      ILE  28   3.228 -11.078   4.984
  195    HA   PRO  29           HA       PRO  29   3.546  -6.716  -0.507
  196    HB2  PRO  29           2HB      PRO  29   0.783  -5.970  -1.305
  197    HB3  PRO  29           1HB      PRO  29   2.287  -5.859  -2.234
  198    HG2  PRO  29           2HG      PRO  29   0.495  -7.722  -2.766
  199    HG3  PRO  29           1HG      PRO  29   2.225  -8.124  -2.787
  200    HD2  PRO  29           2HD      PRO  29   0.168  -8.721  -0.677
  201    HD3  PRO  29           1HD      PRO  29   1.502  -9.740  -1.269
  202    H    HIS  30           H        HIS  30   3.740  -4.727   0.471
  203    HA   HIS  30           HA       HIS  30   1.551  -3.856   2.240
  204    HB2  HIS  30           1HB      HIS  30   4.485  -3.833   2.994
  205    HB3  HIS  30           2HB      HIS  30   3.173  -3.135   3.936
  206    HD1  HIS  30           HD1      HIS  30   4.727  -6.405   3.016
  207    HD2  HIS  30           HD2      HIS  30   1.419  -5.050   5.163
  208    HE1  HIS  30           HE1      HIS  30   3.856  -8.390   4.325
  209    H    CYS  31           H        CYS  31   1.055  -1.739   2.082
  210    HA   CYS  31           HA       CYS  31   1.681  -0.191  -0.060
  211    HB2  CYS  31           2HB      CYS  31   0.307   0.257   2.311
  212    HB3  CYS  31           1HB      CYS  31   1.577   1.454   2.327
  213    H    LYS  32           H        LYS  32   3.448   0.733  -0.838
  214    HA   LYS  32           HA       LYS  32   5.592   1.505   1.012
  215    HB2  LYS  32           1HB      LYS  32   6.157  -0.713   0.107
  216    HB3  LYS  32           2HB      LYS  32   5.953  -0.100  -1.520
  217    HG2  LYS  32           1HG      LYS  32   8.328  -0.143  -0.973
  218    HG3  LYS  32           2HG      LYS  32   7.809   1.526  -1.127
  219    HD2  LYS  32           1HD      LYS  32   7.737   1.825   1.264
  220    HD3  LYS  32           2HD      LYS  32   7.946   0.096   1.544
  221    HE2  LYS  32           1HE      LYS  32  10.205   0.231   0.545
  222    HE3  LYS  32           2HE      LYS  32   9.974   1.957   0.270
  223    HZ1  LYS  32           3HZ      LYS  32  11.218   1.421   2.331
  224    HZ2  LYS  32           1HZ      LYS  32   9.825   0.672   2.943
  225    HZ3  LYS  32           2HZ      LYS  32   9.814   2.337   2.603
  226    H    LYS  33           H        LYS  33   6.767   3.309   0.408
  227    HA   LYS  33           HA       LYS  33   5.588   5.021  -1.557
  228    HB2  LYS  33           1HB      LYS  33   8.117   5.283   0.066
  229    HB3  LYS  33           2HB      LYS  33   7.489   6.539  -0.997
  230    HG2  LYS  33           1HG      LYS  33   5.317   6.390   0.297
  231    HG3  LYS  33           2HG      LYS  33   6.166   5.372   1.460
  232    HD2  LYS  33           1HD      LYS  33   6.466   7.464   2.429
  233    HD3  LYS  33           2HD      LYS  33   7.913   7.364   1.424
  234    HE2  LYS  33           1HE      LYS  33   6.773   8.621  -0.366
  235    HE3  LYS  33           2HE      LYS  33   5.309   8.701   0.615
  236    HZ1  LYS  33           3HZ      LYS  33   7.653   9.606   2.001
  237    HZ2  LYS  33           1HZ      LYS  33   6.141  10.354   1.828
  238    HZ3  LYS  33           2HZ      LYS  33   7.316  10.524   0.612
  239    H    TYR  34           H        TYR  34   6.294   5.584  -3.552
  240    HA   TYR  34           HA       TYR  34   7.693   3.755  -5.135
  241    HB2  TYR  34           2HB      TYR  34   7.226   6.688  -5.478
  242    HB3  TYR  34           1HB      TYR  34   7.908   5.670  -6.743
  243    HD1  TYR  34           1HD      TYR  34   4.918   6.581  -4.861
  244    HD2  TYR  34           2HD      TYR  34   6.544   3.857  -7.747
  245    HE1  TYR  34           1HE      TYR  34   2.629   5.880  -5.479
  246    HE2  TYR  34           2HE      TYR  34   4.251   3.156  -8.378
  247    HH   TYR  34           HH       TYR  34   2.013   3.862  -8.255
  248    H    LYS  35           H        LYS  35   9.234   6.551  -5.913
  249    HA   LYS  35           HA       LYS  35  11.603   6.019  -4.255
  250    HB2  LYS  35           1HB      LYS  35  13.008   6.253  -6.356
  251    HB3  LYS  35           2HB      LYS  35  12.101   4.750  -6.204
  252    HG2  LYS  35           1HG      LYS  35  10.731   7.017  -7.571
  253    HG3  LYS  35           2HG      LYS  35  12.046   6.235  -8.447
  254    HD2  LYS  35           1HD      LYS  35   9.965   4.519  -7.126
  255    HD3  LYS  35           2HD      LYS  35   9.577   5.308  -8.654
  256    HE2  LYS  35           1HE      LYS  35  11.550   4.287  -9.704
  257    HE3  LYS  35           2HE      LYS  35  11.988   3.527  -8.174
  258    HZ1  LYS  35           3HZ      LYS  35   9.505   2.680  -8.389
  259    HZ2  LYS  35           1HZ      LYS  35  10.811   1.840  -9.073
  260    HZ3  LYS  35           2HZ      LYS  35   9.855   2.857 -10.043
  261    HA   PRO  36           HA       PRO  36  10.626  10.552  -5.063
  262    HB2  PRO  36           2HB      PRO  36  10.076  11.266  -2.487
  263    HB3  PRO  36           1HB      PRO  36   8.839  10.654  -3.604
  264    HG2  PRO  36           2HG      PRO  36  10.308   9.226  -1.440
  265    HG3  PRO  36           1HG      PRO  36   8.601   9.124  -1.904
  266    HD2  PRO  36           2HD      PRO  36  10.453   7.251  -2.645
  267    HD3  PRO  36           1HD      PRO  36   9.013   7.625  -3.617
  268    H    TYR  37           H        TYR  37  12.105  12.203  -4.743
  269    HA   TYR  37           HA       TYR  37  14.497  11.513  -3.146
  270    HB2  TYR  37           2HB      TYR  37  14.252  13.276  -5.592
  271    HB3  TYR  37           1HB      TYR  37  15.744  12.948  -4.709
  272    HD1  TYR  37           1HD      TYR  37  13.100  11.473  -6.831
  273    HD2  TYR  37           2HD      TYR  37  16.878  10.815  -4.895
  274    HE1  TYR  37           1HE      TYR  37  13.403   9.388  -8.135
  275    HE2  TYR  37           2HE      TYR  37  17.181   8.727  -6.200
  276    HH   TYR  37           HH       TYR  37  15.053   7.880  -8.831
  277    H    VAL  38           H        VAL  38  11.813  13.406  -3.083
  278    HA   VAL  38           HA       VAL  38  13.167  15.453  -1.435
  279    HB   VAL  38           HB       VAL  38  11.575  17.126  -2.275
  280   HG11  VAL  38          1HG1      VAL  38  13.129  15.642  -4.417
  281   HG12  VAL  38          2HG1      VAL  38  13.739  16.940  -3.390
  282   HG13  VAL  38          3HG1      VAL  38  12.494  17.279  -4.592
  283   HG21  VAL  38          3HG2      VAL  38  10.646  15.883  -4.643
  284   HG22  VAL  38          1HG2      VAL  38   9.681  16.405  -3.263
  285   HG23  VAL  38          2HG2      VAL  38  10.300  14.757  -3.329
  286    HA   PRO  39           HA       PRO  39   9.582  13.368   0.743
  287    HB2  PRO  39           2HB      PRO  39  10.976  12.356   2.851
  288    HB3  PRO  39           1HB      PRO  39  10.789  11.486   1.316
  289    HG2  PRO  39           2HG      PRO  39  13.105  13.060   2.329
  290    HG3  PRO  39           1HG      PRO  39  13.080  11.530   1.437
  291    HD2  PRO  39           2HD      PRO  39  13.604  13.953   0.261
  292    HD3  PRO  39           1HD      PRO  39  12.905  12.573  -0.613
  293    H    VAL  40           H        VAL  40   8.521  14.148   2.603
  294    HA   VAL  40           HA       VAL  40   9.889  16.199   4.200
  295    HB   VAL  40           HB       VAL  40   8.790  17.426   2.383
  296   HG11  VAL  40          1HG1      VAL  40   6.682  16.978   1.649
  297   HG12  VAL  40          2HG1      VAL  40   6.064  16.728   3.283
  298   HG13  VAL  40          3HG1      VAL  40   6.919  15.427   2.454
  299   HG21  VAL  40          3HG2      VAL  40   6.909  17.930   4.626
  300   HG22  VAL  40          1HG2      VAL  40   7.985  19.048   3.790
  301   HG23  VAL  40          2HG2      VAL  40   8.623  17.980   5.039
  302    H    THR  41           H        THR  41   9.209  16.303   6.295
  303    HA   THR  41           HA       THR  41   7.297  14.243   7.140
  304    HB   THR  41           HB       THR  41   8.208  14.616   9.386
  305    HG1  THR  41           1HG      THR  41   9.479  16.271   9.804
  306   HG21  THR  41          3HG2      THR  41  10.371  13.698   8.996
  307   HG22  THR  41          1HG2      THR  41  10.510  14.501   7.433
  308   HG23  THR  41          2HG2      THR  41   9.382  13.162   7.640
  309    H    THR  42           H        THR  42   7.282  17.481   6.377
  310    HA   THR  42           HA       THR  42   5.945  19.280   6.943
  311    HB   THR  42           HB       THR  42   3.746  17.333   7.513
  312    HG1  THR  42           1HG      THR  42   5.259  16.658   5.722
  313   HG21  THR  42          3HG2      THR  42   2.415  18.937   6.422
  314   HG22  THR  42          1HG2      THR  42   3.793  19.634   5.571
  315   HG23  THR  42          2HG2      THR  42   3.590  19.916   7.300
  Start of MODEL   18
    1    HA   ASP   1           HA       ASP   1 -11.420   2.828   5.976
    2    HB2  ASP   1           1HB      ASP   1 -11.584   5.612   5.843
    3    HB3  ASP   1           2HB      ASP   1 -11.334   5.116   4.170
    4    H    CYS   2           H        CYS   2  -8.287   3.259   5.610
    5    HA   CYS   2           HA       CYS   2  -8.169   1.754   3.139
    6    HB2  CYS   2           2HB      CYS   2  -6.502   3.364   2.135
    7    HB3  CYS   2           1HB      CYS   2  -8.171   3.923   2.137
    8    H    ALA   3           H        ALA   3  -5.934   1.056   2.643
    9    HA   ALA   3           HA       ALA   3  -4.602   0.242   5.056
   10    HB1  ALA   3           3HB      ALA   3  -2.948  -0.315   2.843
   11    HB2  ALA   3           1HB      ALA   3  -4.606  -0.500   2.263
   12    HB3  ALA   3           2HB      ALA   3  -4.050  -1.425   3.659
   13    H    LYS   4           H        LYS   4  -3.033   1.286   6.089
   14    HA   LYS   4           HA       LYS   4  -1.885   3.709   4.944
   15    HB2  LYS   4           1HB      LYS   4  -1.527   2.391   7.650
   16    HB3  LYS   4           2HB      LYS   4  -0.843   3.949   7.187
   17    HG2  LYS   4           1HG      LYS   4  -3.122   4.812   6.752
   18    HG3  LYS   4           2HG      LYS   4  -3.795   3.260   7.252
   19    HD2  LYS   4           1HD      LYS   4  -2.753   3.541   9.484
   20    HD3  LYS   4           2HD      LYS   4  -2.137   5.117   8.984
   21    HE2  LYS   4           1HE      LYS   4  -5.067   4.344   9.055
   22    HE3  LYS   4           2HE      LYS   4  -4.249   5.328  10.267
   23    HZ1  LYS   4           3HZ      LYS   4  -5.064   6.942   8.906
   24    HZ2  LYS   4           1HZ      LYS   4  -4.965   5.989   7.506
   25    HZ3  LYS   4           2HZ      LYS   4  -3.560   6.688   8.157
   26    H    GLU   5           H        GLU   5   0.595   3.970   5.590
   27    HA   GLU   5           HA       GLU   5   2.084   2.345   3.893
   28    HB2  GLU   5           1HB      GLU   5   2.858   4.539   4.635
   29    HB3  GLU   5           2HB      GLU   5   3.037   3.935   6.284
   30    HG2  GLU   5           1HG      GLU   5   4.760   2.382   5.593
   31    HG3  GLU   5           2HG      GLU   5   4.498   2.774   3.895
   32    H    GLY   6           H        GLY   6   3.035   0.426   4.053
   33    HA2  GLY   6           1HA      GLY   6   4.025  -1.440   5.013
   34    HA3  GLY   6           2HA      GLY   6   3.741  -0.755   6.599
   35    H    GLU   7           H        GLU   7   0.879  -0.509   4.981
   36    HA   GLU   7           HA       GLU   7  -0.166  -2.880   6.358
   37    HB2  GLU   7           1HB      GLU   7  -1.135  -0.383   6.326
   38    HB3  GLU   7           2HB      GLU   7  -1.983  -1.015   4.913
   39    HG2  GLU   7           1HG      GLU   7  -1.980  -2.237   7.692
   40    HG3  GLU   7           2HG      GLU   7  -3.312  -1.345   6.960
   41    H    VAL   8           H        VAL   8  -1.336  -4.489   5.318
   42    HA   VAL   8           HA       VAL   8  -0.474  -5.314   2.814
   43    HB   VAL   8           HB       VAL   8  -2.973  -6.010   4.357
   44   HG11  VAL   8          1HG1      VAL   8  -3.591  -6.646   2.197
   45   HG12  VAL   8          2HG1      VAL   8  -2.768  -8.098   2.767
   46   HG13  VAL   8          3HG1      VAL   8  -1.927  -6.967   1.707
   47   HG21  VAL   8          3HG2      VAL   8  -0.756  -7.927   3.870
   48   HG22  VAL   8          1HG2      VAL   8  -1.710  -7.659   5.328
   49   HG23  VAL   8          2HG2      VAL   8  -0.379  -6.573   4.933
   50    H    CYS   9           H        CYS   9  -1.196  -5.077   0.732
   51    HA   CYS   9           HA       CYS   9  -3.645  -3.471   0.310
   52    HB2  CYS   9           2HB      CYS   9  -2.554  -2.061  -1.318
   53    HB3  CYS   9           1HB      CYS   9  -1.624  -1.979   0.181
   54    H    SER  10           H        SER  10  -4.277  -3.533  -2.043
   55    HA   SER  10           HA       SER  10  -4.924  -4.714  -3.892
   56    HB2  SER  10           1HB      SER  10  -2.239  -6.046  -3.501
   57    HB3  SER  10           2HB      SER  10  -3.294  -6.326  -4.875
   58    HG   SER  10           HG       SER  10  -3.205  -4.038  -5.240
   59    H    TRP  11           H        TRP  11  -3.975  -6.462  -1.039
   60    HA   TRP  11           HA       TRP  11  -5.196  -8.948  -1.790
   61    HB2  TRP  11           2HB      TRP  11  -3.490  -8.020   0.254
   62    HB3  TRP  11           1HB      TRP  11  -4.930  -8.612   1.067
   63    HD1  TRP  11           1HD      TRP  11  -1.750  -9.807  -0.174
   64    HE1  TRP  11           1HE      TRP  11  -1.775 -12.359  -0.542
   65    HE3  TRP  11           3HE      TRP  11  -6.767 -10.659   0.008
   66    HZ2  TRP  11           2HZ      TRP  11  -3.683 -14.485  -0.733
   67    HZ3  TRP  11           3HZ      TRP  11  -7.672 -12.954  -0.266
   68    HH2  TRP  11           2HH      TRP  11  -6.136 -14.866  -0.637
   69    H    GLY  12           H        GLY  12  -6.933  -6.800  -2.238
   70    HA2  GLY  12           1HA      GLY  12  -9.292  -6.738  -2.026
   71    HA3  GLY  12           2HA      GLY  12  -9.156  -7.598  -0.497
   72    H    LYS  13           H        LYS  13  -6.888  -5.112  -0.705
   73    HA   LYS  13           HA       LYS  13  -8.682  -3.161   0.588
   74    HB2  LYS  13           1HB      LYS  13  -7.313  -4.568   2.251
   75    HB3  LYS  13           2HB      LYS  13  -5.905  -3.705   1.631
   76    HG2  LYS  13           1HG      LYS  13  -6.504  -2.301   3.377
   77    HG3  LYS  13           2HG      LYS  13  -7.427  -1.577   2.061
   78    HD2  LYS  13           1HD      LYS  13  -9.098  -1.787   3.653
   79    HD3  LYS  13           2HD      LYS  13  -9.262  -3.339   2.832
   80    HE2  LYS  13           1HE      LYS  13  -7.810  -4.393   4.530
   81    HE3  LYS  13           2HE      LYS  13  -7.649  -2.841   5.352
   82    HZ1  LYS  13           3HZ      LYS  13  -9.849  -2.856   6.002
   83    HZ2  LYS  13           1HZ      LYS  13  -9.427  -4.493   6.153
   84    HZ3  LYS  13           2HZ      LYS  13 -10.316  -3.966   4.804
   85    H    LYS  14           H        LYS  14  -8.374  -1.106  -0.049
   86    HA   LYS  14           HA       LYS  14  -6.287  -0.593  -2.042
   87    HB2  LYS  14           1HB      LYS  14  -8.673   1.054  -1.159
   88    HB3  LYS  14           2HB      LYS  14  -7.546   1.510  -2.437
   89    HG2  LYS  14           1HG      LYS  14  -8.119  -0.555  -3.675
   90    HG3  LYS  14           2HG      LYS  14  -9.266  -0.987  -2.407
   91    HD2  LYS  14           1HD      LYS  14 -10.516   1.110  -2.840
   92    HD3  LYS  14           2HD      LYS  14  -9.392   1.500  -4.139
   93    HE2  LYS  14           1HE      LYS  14 -11.121  -0.989  -4.032
   94    HE3  LYS  14           2HE      LYS  14 -11.467   0.443  -5.002
   95    HZ1  LYS  14           3HZ      LYS  14  -9.384   0.123  -6.167
   96    HZ2  LYS  14           1HZ      LYS  14 -10.348  -1.265  -6.296
   97    HZ3  LYS  14           2HZ      LYS  14  -9.032  -1.245  -5.222
   98    H    CYS  15           H        CYS  15  -4.621   0.742  -1.750
   99    HA   CYS  15           HA       CYS  15  -3.859   1.445   0.904
  100    HB2  CYS  15           2HB      CYS  15  -2.373   0.865  -1.135
  101    HB3  CYS  15           1HB      CYS  15  -2.593   2.553  -1.577
  102    H    CYS  16           H        CYS  16  -3.573   3.512   1.784
  103    HA   CYS  16           HA       CYS  16  -5.645   5.351   1.361
  104    HB2  CYS  16           2HB      CYS  16  -2.975   5.621   2.751
  105    HB3  CYS  16           1HB      CYS  16  -4.231   6.850   2.820
  106    H    ASP  17           H        ASP  17  -2.310   5.324   0.219
  107    HA   ASP  17           HA       ASP  17  -3.036   7.445  -1.709
  108    HB2  ASP  17           1HB      ASP  17  -0.584   7.265   0.035
  109    HB3  ASP  17           2HB      ASP  17  -0.605   8.217  -1.448
  110    H    LEU  18           H        LEU  18  -3.373   5.678  -3.189
  111    HA   LEU  18           HA       LEU  18  -1.360   3.803  -3.861
  112    HB2  LEU  18           1HB      LEU  18  -3.740   4.868  -5.394
  113    HB3  LEU  18           2HB      LEU  18  -2.717   3.562  -5.988
  114    HG   LEU  18           HG       LEU  18  -3.958   3.420  -3.240
  115   HD11  LEU  18          1HD1      LEU  18  -5.772   3.837  -4.881
  116   HD12  LEU  18          2HD1      LEU  18  -5.847   2.203  -4.220
  117   HD13  LEU  18          3HD1      LEU  18  -5.197   2.471  -5.837
  118   HD21  LEU  18          3HD2      LEU  18  -3.826   0.957  -3.771
  119   HD22  LEU  18          1HD2      LEU  18  -2.251   1.734  -3.718
  120   HD23  LEU  18          2HD2      LEU  18  -2.997   1.371  -5.270
  121    H    ASP  19           H        ASP  19  -1.793   7.127  -4.636
  122    HA   ASP  19           HA       ASP  19  -0.243   7.131  -7.050
  123    HB2  ASP  19           1HB      ASP  19  -1.129   9.322  -5.168
  124    HB3  ASP  19           2HB      ASP  19  -0.213   9.626  -6.643
  125    H    ASN  20           H        ASN  20   0.437   7.635  -3.621
  126    HA   ASN  20           HA       ASN  20   3.267   8.140  -4.269
  127    HB2  ASN  20           1HB      ASN  20   1.774   8.516  -1.667
  128    HB3  ASN  20           2HB      ASN  20   3.458   8.924  -1.947
  129   HD21  ASN  20          1HD2      ASN  20   0.704  11.615  -2.762
  130   HD22  ASN  20          2HD2      ASN  20   0.520  10.317  -1.693
  131    H    PHE  21           H        PHE  21   1.223   5.639  -3.404
  132    HA   PHE  21           HA       PHE  21   3.496   4.054  -2.409
  133    HB2  PHE  21           2HB      PHE  21   0.679   4.004  -1.319
  134    HB3  PHE  21           1HB      PHE  21   1.913   2.811  -0.936
  135    HD1  PHE  21           1HD      PHE  21   1.376   6.509  -0.967
  136    HD2  PHE  21           2HD      PHE  21   3.352   3.185   0.880
  137    HE1  PHE  21           1HE      PHE  21   2.250   8.017   0.785
  138    HE2  PHE  21           2HE      PHE  21   4.239   4.693   2.633
  139    HZ   PHE  21           HZ       PHE  21   3.690   7.109   2.589
  140    H    TYR  22           H        TYR  22   3.396   1.808  -2.847
  141    HA   TYR  22           HA       TYR  22   1.486   1.023  -4.951
  142    HB2  TYR  22           2HB      TYR  22   3.343  -0.084  -6.147
  143    HB3  TYR  22           1HB      TYR  22   3.575   1.658  -6.043
  144    HD1  TYR  22           1HD      TYR  22   4.693  -1.622  -4.801
  145    HD2  TYR  22           2HD      TYR  22   5.287   2.636  -4.666
  146    HE1  TYR  22           1HE      TYR  22   6.905  -1.961  -3.838
  147    HE2  TYR  22           2HE      TYR  22   7.479   2.268  -3.652
  148    HH   TYR  22           HH       TYR  22   9.219   0.515  -3.591
  149    H    CYS  23           H        CYS  23   1.937  -1.467  -5.409
  150    HA   CYS  23           HA       CYS  23   1.839  -2.785  -2.785
  151    HB2  CYS  23           2HB      CYS  23   0.483  -3.370  -5.392
  152    HB3  CYS  23           1HB      CYS  23   0.613  -4.587  -4.124
  153    HA   PRO  24           HA       PRO  24   5.911  -4.329  -4.315
  154    HB2  PRO  24           2HB      PRO  24   5.685  -5.657  -1.646
  155    HB3  PRO  24           1HB      PRO  24   7.051  -4.779  -2.353
  156    HG2  PRO  24           2HG      PRO  24   5.581  -3.667  -0.476
  157    HG3  PRO  24           1HG      PRO  24   6.163  -2.726  -1.847
  158    HD2  PRO  24           2HD      PRO  24   3.413  -3.777  -1.334
  159    HD3  PRO  24           1HD      PRO  24   3.921  -2.260  -2.081
  160    H    MET  25           H        MET  25   6.444  -6.260  -5.239
  161    HA   MET  25           HA       MET  25   4.372  -8.330  -5.260
  162    HB2  MET  25           1HB      MET  25   6.773  -7.724  -6.960
  163    HB3  MET  25           2HB      MET  25   6.018  -9.317  -7.021
  164    HG2  MET  25           1HG      MET  25   4.462  -6.744  -7.365
  165    HG3  MET  25           2HG      MET  25   5.137  -7.647  -8.721
  166    HE1  MET  25           3HE      MET  25   2.922  -7.160  -9.350
  167    HE2  MET  25           1HE      MET  25   1.475  -7.487  -8.385
  168    HE3  MET  25           2HE      MET  25   1.971  -8.613  -9.644
  169    H    GLU  26           H        GLU  26   4.790  -9.038  -3.051
  170    HA   GLU  26           HA       GLU  26   6.936 -11.042  -2.979
  171    HB2  GLU  26           1HB      GLU  26   6.471  -8.907  -0.894
  172    HB3  GLU  26           2HB      GLU  26   7.401 -10.375  -0.586
  173    HG2  GLU  26           1HG      GLU  26   8.952  -9.810  -2.394
  174    HG3  GLU  26           2HG      GLU  26   8.000  -8.380  -2.788
  175    H    PHE  27           H        PHE  27   4.193 -11.461  -3.433
  176    HA   PHE  27           HA       PHE  27   2.561 -12.939  -2.784
  177    HB2  PHE  27           2HB      PHE  27   4.682 -14.074  -1.747
  178    HB3  PHE  27           1HB      PHE  27   4.010 -13.492  -0.227
  179    HD1  PHE  27           1HD      PHE  27   3.076 -15.371  -3.320
  180    HD2  PHE  27           2HD      PHE  27   2.307 -14.704   0.853
  181    HE1  PHE  27           1HE      PHE  27   1.465 -17.254  -3.318
  182    HE2  PHE  27           2HE      PHE  27   0.694 -16.587   0.855
  183    HZ   PHE  27           HZ       PHE  27   0.273 -17.862  -1.228
  184    H    ILE  28           H        ILE  28   3.842 -10.787  -0.304
  185    HA   ILE  28           HA       ILE  28   1.079 -10.187   0.533
  186    HB   ILE  28           HB       ILE  28   2.132  -9.789   2.844
  187   HG12  ILE  28          1HG1      ILE  28   4.173 -11.728   1.714
  188   HG13  ILE  28          2HG1      ILE  28   4.492 -10.014   1.969
  189   HG21  ILE  28          1HG2      ILE  28   0.557 -11.589   2.429
  190   HG22  ILE  28          2HG2      ILE  28   1.887 -12.224   3.400
  191   HG23  ILE  28          3HG2      ILE  28   1.815 -12.563   1.672
  192   HD11  ILE  28          3HD1      ILE  28   3.349 -11.034   4.375
  193   HD12  ILE  28          1HD1      ILE  28   4.988 -10.435   4.120
  194   HD13  ILE  28          2HD1      ILE  28   4.625 -12.144   3.879
  195    HA   PRO  29           HA       PRO  29   3.397  -6.419  -0.933
  196    HB2  PRO  29           2HB      PRO  29   0.614  -5.660  -1.624
  197    HB3  PRO  29           1HB      PRO  29   2.084  -5.574  -2.610
  198    HG2  PRO  29           2HG      PRO  29   0.199  -7.409  -3.051
  199    HG3  PRO  29           1HG      PRO  29   1.916  -7.791  -3.258
  200    HD2  PRO  29           2HD      PRO  29   0.077  -8.531  -1.009
  201    HD3  PRO  29           1HD      PRO  29   1.393  -9.470  -1.749
  202    H    HIS  30           H        HIS  30   3.661  -4.575   0.234
  203    HA   HIS  30           HA       HIS  30   1.520  -3.813   2.124
  204    HB2  HIS  30           1HB      HIS  30   4.491  -3.858   2.693
  205    HB3  HIS  30           2HB      HIS  30   3.263  -3.174   3.748
  206    HD1  HIS  30           HD1      HIS  30   4.643  -6.445   2.575
  207    HD2  HIS  30           HD2      HIS  30   1.536  -5.067   4.986
  208    HE1  HIS  30           HE1      HIS  30   3.774  -8.458   3.842
  209    H    CYS  31           H        CYS  31   0.944  -1.732   2.024
  210    HA   CYS  31           HA       CYS  31   1.483   0.022   0.041
  211    HB2  CYS  31           2HB      CYS  31   0.935   0.518   2.941
  212    HB3  CYS  31           1HB      CYS  31   1.120   1.860   1.824
  213    H    LYS  32           H        LYS  32   3.549   0.166  -0.716
  214    HA   LYS  32           HA       LYS  32   5.598   1.167   1.139
  215    HB2  LYS  32           1HB      LYS  32   6.099  -1.013   0.058
  216    HB3  LYS  32           2HB      LYS  32   5.953  -0.238  -1.509
  217    HG2  LYS  32           1HG      LYS  32   8.309  -0.411  -0.849
  218    HG3  LYS  32           2HG      LYS  32   7.820   1.275  -0.959
  219    HD2  LYS  32           1HD      LYS  32   7.769   1.548   1.384
  220    HD3  LYS  32           2HD      LYS  32   7.691  -0.191   1.679
  221    HE2  LYS  32           1HE      LYS  32  10.008  -0.421   0.871
  222    HE3  LYS  32           2HE      LYS  32  10.070   1.309   0.537
  223    HZ1  LYS  32           3HZ      LYS  32  10.458  -0.045   2.994
  224    HZ2  LYS  32           1HZ      LYS  32   9.178   1.058   3.138
  225    HZ3  LYS  32           2HZ      LYS  32  10.706   1.594   2.626
  226    H    LYS  33           H        LYS  33   6.440   3.131   0.815
  227    HA   LYS  33           HA       LYS  33   5.330   4.804  -1.228
  228    HB2  LYS  33           1HB      LYS  33   6.112   5.406   1.207
  229    HB3  LYS  33           2HB      LYS  33   7.688   5.599   0.446
  230    HG2  LYS  33           1HG      LYS  33   6.834   7.268  -1.074
  231    HG3  LYS  33           2HG      LYS  33   5.175   6.974  -0.551
  232    HD2  LYS  33           1HD      LYS  33   5.906   7.662   1.782
  233    HD3  LYS  33           2HD      LYS  33   7.420   8.209   1.055
  234    HE2  LYS  33           1HE      LYS  33   6.187   9.717  -0.434
  235    HE3  LYS  33           2HE      LYS  33   4.653   9.140   0.228
  236    HZ1  LYS  33           3HZ      LYS  33   4.864  10.472   1.978
  237    HZ2  LYS  33           1HZ      LYS  33   6.147  11.233   1.169
  238    HZ3  LYS  33           2HZ      LYS  33   6.464   9.981   2.273
  239    H    TYR  34           H        TYR  34   6.319   5.694  -3.003
  240    HA   TYR  34           HA       TYR  34   8.274   4.164  -4.370
  241    HB2  TYR  34           2HB      TYR  34   7.260   6.949  -4.804
  242    HB3  TYR  34           1HB      TYR  34   8.313   6.111  -5.937
  243    HD1  TYR  34           1HD      TYR  34   4.958   6.559  -4.702
  244    HD2  TYR  34           2HD      TYR  34   7.486   3.930  -6.964
  245    HE1  TYR  34           1HE      TYR  34   2.962   5.470  -5.654
  246    HE2  TYR  34           2HE      TYR  34   5.477   2.836  -7.929
  247    HH   TYR  34           HH       TYR  34   2.307   4.164  -7.531
  248    H    LYS  35           H        LYS  35  10.427   4.375  -4.605
  249    HA   LYS  35           HA       LYS  35  12.337   4.811  -3.044
  250    HB2  LYS  35           1HB      LYS  35  12.432   6.667  -5.409
  251    HB3  LYS  35           2HB      LYS  35  13.771   5.831  -4.623
  252    HG2  LYS  35           1HG      LYS  35  13.458   4.336  -6.330
  253    HG3  LYS  35           2HG      LYS  35  12.235   3.698  -5.230
  254    HD2  LYS  35           1HD      LYS  35  10.985   3.936  -7.176
  255    HD3  LYS  35           2HD      LYS  35  10.686   5.492  -6.402
  256    HE2  LYS  35           1HE      LYS  35  12.519   6.500  -7.727
  257    HE3  LYS  35           2HE      LYS  35  12.806   4.944  -8.502
  258    HZ1  LYS  35           3HZ      LYS  35  11.277   6.702  -9.619
  259    HZ2  LYS  35           1HZ      LYS  35  10.106   6.091  -8.555
  260    HZ3  LYS  35           2HZ      LYS  35  10.860   5.056  -9.671
  261    HA   PRO  36           HA       PRO  36  10.854   8.787  -1.218
  262    HB2  PRO  36           2HB      PRO  36  11.036   8.057   1.398
  263    HB3  PRO  36           1HB      PRO  36   9.623   7.688   0.390
  264    HG2  PRO  36           2HG      PRO  36  11.874   5.929   1.209
  265    HG3  PRO  36           1HG      PRO  36  10.151   5.556   1.042
  266    HD2  PRO  36           2HD      PRO  36  12.063   4.911  -0.831
  267    HD3  PRO  36           1HD      PRO  36  10.338   5.110  -1.213
  268    H    TYR  37           H        TYR  37  12.086  10.453  -0.389
  269    HA   TYR  37           HA       TYR  37  14.936   9.831   0.112
  270    HB2  TYR  37           2HB      TYR  37  13.702  12.356  -1.015
  271    HB3  TYR  37           1HB      TYR  37  15.424  12.073  -0.753
  272    HD1  TYR  37           1HD      TYR  37  12.475  11.136  -2.753
  273    HD2  TYR  37           2HD      TYR  37  16.695  10.563  -2.189
  274    HE1  TYR  37           1HE      TYR  37  12.616  10.023  -4.960
  275    HE2  TYR  37           2HE      TYR  37  16.837   9.448  -4.402
  276    HH   TYR  37           HH       TYR  37  15.194   8.174  -5.928
  277    H    VAL  38           H        VAL  38  12.209  10.522   1.721
  278    HA   VAL  38           HA       VAL  38  11.663  11.675   3.656
  279    HB   VAL  38           HB       VAL  38  14.505  11.012   4.427
  280   HG11  VAL  38          1HG1      VAL  38  13.707  11.032   6.625
  281   HG12  VAL  38          2HG1      VAL  38  12.040  10.750   6.127
  282   HG13  VAL  38          3HG1      VAL  38  12.772  12.336   5.898
  283   HG21  VAL  38          3HG2      VAL  38  12.135   9.251   3.901
  284   HG22  VAL  38          1HG2      VAL  38  13.211   8.842   5.237
  285   HG23  VAL  38          2HG2      VAL  38  13.844   8.942   3.595
  286    HA   PRO  39           HA       PRO  39  14.227  15.425   2.394
  287    HB2  PRO  39           2HB      PRO  39  12.192  16.868   1.278
  288    HB3  PRO  39           1HB      PRO  39  13.202  15.737   0.354
  289    HG2  PRO  39           2HG      PRO  39  10.464  15.358   1.470
  290    HG3  PRO  39           1HG      PRO  39  11.136  14.832  -0.084
  291    HD2  PRO  39           2HD      PRO  39  10.842  13.144   2.048
  292    HD3  PRO  39           1HD      PRO  39  12.114  12.939   0.822
  293    H    VAL  40           H        VAL  40  14.261  17.388   3.528
  294    HA   VAL  40           HA       VAL  40  12.951  17.449   6.031
  295    HB   VAL  40           HB       VAL  40  15.139  18.561   5.489
  296   HG11  VAL  40          1HG1      VAL  40  13.652  20.945   4.508
  297   HG12  VAL  40          2HG1      VAL  40  13.867  19.620   3.363
  298   HG13  VAL  40          3HG1      VAL  40  15.276  20.386   4.101
  299   HG21  VAL  40          3HG2      VAL  40  14.677  19.585   7.445
  300   HG22  VAL  40          1HG2      VAL  40  12.945  19.523   7.105
  301   HG23  VAL  40          2HG2      VAL  40  13.907  20.886   6.536
  302    H    THR  41           H        THR  41  12.170  18.808   2.905
  303    HA   THR  41           HA       THR  41  10.122  20.577   3.895
  304    HB   THR  41           HB       THR  41   9.597  20.936   1.536
  305    HG1  THR  41           1HG      THR  41   9.801  19.057   0.534
  306   HG21  THR  41          3HG2      THR  41  11.874  21.677   2.774
  307   HG22  THR  41          1HG2      THR  41  11.509  22.122   1.108
  308   HG23  THR  41          2HG2      THR  41  12.561  20.746   1.444
  309    H    THR  42           H        THR  42   7.841  20.367   3.198
  310    HA   THR  42           HA       THR  42   5.842  19.237   3.260
  311    HB   THR  42           HB       THR  42   7.157  16.825   2.067
  312    HG1  THR  42           1HG      THR  42   7.529  17.852   0.219
  313   HG21  THR  42          3HG2      THR  42   4.680  18.304   1.189
  314   HG22  THR  42          1HG2      THR  42   4.640  17.161   2.532
  315   HG23  THR  42          2HG2      THR  42   5.102  16.614   0.920
  Start of MODEL   19
    1    HA   ASP   1           HA       ASP   1 -10.430   1.201   6.534
    2    HB2  ASP   1           1HB      ASP   1 -11.201   2.899   4.717
    3    HB3  ASP   1           2HB      ASP   1 -12.214   2.680   6.143
    4    H    CYS   2           H        CYS   2  -9.745   1.490   4.067
    5    HA   CYS   2           HA       CYS   2  -7.956   1.387   2.620
    6    HB2  CYS   2           2HB      CYS   2  -7.059   3.427   2.155
    7    HB3  CYS   2           1HB      CYS   2  -8.308   3.983   3.263
    8    H    ALA   3           H        ALA   3  -5.451   1.524   2.537
    9    HA   ALA   3           HA       ALA   3  -4.406   0.231   4.978
   10    HB1  ALA   3           3HB      ALA   3  -3.939  -1.437   3.532
   11    HB2  ALA   3           1HB      ALA   3  -2.635  -0.393   2.967
   12    HB3  ALA   3           2HB      ALA   3  -4.184  -0.400   2.127
   13    H    LYS   4           H        LYS   4  -2.813   1.204   6.044
   14    HA   LYS   4           HA       LYS   4  -1.681   3.680   4.974
   15    HB2  LYS   4           1HB      LYS   4  -1.401   2.370   7.690
   16    HB3  LYS   4           2HB      LYS   4  -0.769   3.954   7.246
   17    HG2  LYS   4           1HG      LYS   4  -3.036   4.762   6.776
   18    HG3  LYS   4           2HG      LYS   4  -3.697   3.165   7.118
   19    HD2  LYS   4           1HD      LYS   4  -4.049   4.290   9.141
   20    HD3  LYS   4           2HD      LYS   4  -2.528   3.450   9.432
   21    HE2  LYS   4           1HE      LYS   4  -2.352   5.774  10.186
   22    HE3  LYS   4           2HE      LYS   4  -1.288   5.519   8.810
   23    HZ1  LYS   4           3HZ      LYS   4  -3.487   7.283   9.064
   24    HZ2  LYS   4           1HZ      LYS   4  -3.735   6.231   7.757
   25    HZ3  LYS   4           2HZ      LYS   4  -2.331   7.186   7.822
   26    H    GLU   5           H        GLU   5   0.717   4.052   5.395
   27    HA   GLU   5           HA       GLU   5   2.296   2.411   3.868
   28    HB2  GLU   5           1HB      GLU   5   2.962   4.654   4.661
   29    HB3  GLU   5           2HB      GLU   5   3.211   3.995   6.277
   30    HG2  GLU   5           1HG      GLU   5   4.937   2.479   5.419
   31    HG3  GLU   5           2HG      GLU   5   4.660   3.062   3.780
   32    H    GLY   6           H        GLY   6   3.189   0.466   4.072
   33    HA2  GLY   6           1HA      GLY   6   4.160  -1.393   5.069
   34    HA3  GLY   6           2HA      GLY   6   3.944  -0.638   6.636
   35    H    GLU   7           H        GLU   7   1.042  -0.445   5.025
   36    HA   GLU   7           HA       GLU   7   0.011  -2.741   6.547
   37    HB2  GLU   7           1HB      GLU   7  -1.000  -0.417   6.793
   38    HB3  GLU   7           2HB      GLU   7  -1.612  -0.610   5.151
   39    HG2  GLU   7           1HG      GLU   7  -2.893  -2.552   5.772
   40    HG3  GLU   7           2HG      GLU   7  -2.158  -2.588   7.374
   41    H    VAL   8           H        VAL   8  -1.198  -4.372   5.592
   42    HA   VAL   8           HA       VAL   8  -0.429  -5.246   3.074
   43    HB   VAL   8           HB       VAL   8  -2.910  -5.922   4.655
   44   HG11  VAL   8          1HG1      VAL   8  -1.689  -7.158   2.180
   45   HG12  VAL   8          2HG1      VAL   8  -3.346  -6.598   2.407
   46   HG13  VAL   8          3HG1      VAL   8  -2.783  -8.047   3.240
   47   HG21  VAL   8          3HG2      VAL   8  -0.254  -7.359   4.348
   48   HG22  VAL   8          1HG2      VAL   8  -1.605  -7.872   5.359
   49   HG23  VAL   8          2HG2      VAL   8  -0.721  -6.397   5.751
   50    H    CYS   9           H        CYS   9  -1.086  -4.855   1.009
   51    HA   CYS   9           HA       CYS   9  -3.621  -3.360   0.649
   52    HB2  CYS   9           2HB      CYS   9  -2.597  -1.951  -1.033
   53    HB3  CYS   9           1HB      CYS   9  -1.667  -1.818   0.459
   54    H    SER  10           H        SER  10  -3.272  -3.178  -2.189
   55    HA   SER  10           HA       SER  10  -3.719  -4.359  -4.100
   56    HB2  SER  10           1HB      SER  10  -1.500  -5.427  -3.473
   57    HB3  SER  10           2HB      SER  10  -2.427  -6.744  -2.773
   58    HG   SER  10           HG       SER  10  -2.885  -7.425  -4.709
   59    H    TRP  11           H        TRP  11  -3.922  -7.510  -3.328
   60    HA   TRP  11           HA       TRP  11  -6.670  -7.739  -3.705
   61    HB2  TRP  11           2HB      TRP  11  -6.437 -10.031  -3.075
   62    HB3  TRP  11           1HB      TRP  11  -4.927  -9.583  -3.864
   63    HD1  TRP  11           1HD      TRP  11  -2.756  -9.329  -2.338
   64    HE1  TRP  11           1HE      TRP  11  -2.218 -10.159   0.041
   65    HE3  TRP  11           3HE      TRP  11  -7.453 -10.505  -0.742
   66    HZ2  TRP  11           2HZ      TRP  11  -3.604 -11.189   2.327
   67    HZ3  TRP  11           3HZ      TRP  11  -7.823 -11.408   1.537
   68    HH2  TRP  11           2HH      TRP  11  -5.905 -11.752   3.072
   69    H    GLY  12           H        GLY  12  -4.810  -7.285  -0.745
   70    HA2  GLY  12           1HA      GLY  12  -6.831  -7.940   1.108
   71    HA3  GLY  12           2HA      GLY  12  -5.467  -6.871   1.420
   72    H    LYS  13           H        LYS  13  -5.981  -4.866  -0.467
   73    HA   LYS  13           HA       LYS  13  -8.600  -3.853  -0.504
   74    HB2  LYS  13           1HB      LYS  13  -7.713  -3.756   2.093
   75    HB3  LYS  13           2HB      LYS  13  -7.190  -2.189   1.490
   76    HG2  LYS  13           1HG      LYS  13  -9.466  -1.703   0.708
   77    HG3  LYS  13           2HG      LYS  13 -10.007  -3.290   1.255
   78    HD2  LYS  13           1HD      LYS  13  -9.376  -2.703   3.574
   79    HD3  LYS  13           2HD      LYS  13  -8.879  -1.101   3.024
   80    HE2  LYS  13           1HE      LYS  13 -11.174  -0.653   2.236
   81    HE3  LYS  13           2HE      LYS  13 -11.674  -2.257   2.772
   82    HZ1  LYS  13           3HZ      LYS  13 -11.646  -1.649   4.930
   83    HZ2  LYS  13           1HZ      LYS  13 -11.893  -0.099   4.287
   84    HZ3  LYS  13           2HZ      LYS  13 -10.332  -0.588   4.743
   85    H    LYS  14           H        LYS  14  -7.962  -1.087  -0.051
   86    HA   LYS  14           HA       LYS  14  -6.043  -0.615  -2.255
   87    HB2  LYS  14           1HB      LYS  14  -8.505   0.941  -1.427
   88    HB3  LYS  14           2HB      LYS  14  -7.341   1.494  -2.632
   89    HG2  LYS  14           1HG      LYS  14  -7.761  -0.529  -3.977
   90    HG3  LYS  14           2HG      LYS  14  -8.923  -1.090  -2.775
   91    HD2  LYS  14           1HD      LYS  14 -10.326   0.881  -3.175
   92    HD3  LYS  14           2HD      LYS  14  -9.148   1.501  -4.333
   93    HE2  LYS  14           1HE      LYS  14 -10.980   0.379  -5.520
   94    HE3  LYS  14           2HE      LYS  14  -9.479  -0.522  -5.730
   95    HZ1  LYS  14           3HZ      LYS  14 -10.473  -2.281  -4.864
   96    HZ2  LYS  14           1HZ      LYS  14 -11.899  -1.399  -4.608
   97    HZ3  LYS  14           2HZ      LYS  14 -10.702  -1.447  -3.403
   98    H    CYS  15           H        CYS  15  -4.370   0.680  -1.896
   99    HA   CYS  15           HA       CYS  15  -3.711   1.440   0.768
  100    HB2  CYS  15           2HB      CYS  15  -2.138   0.812  -1.173
  101    HB3  CYS  15           1HB      CYS  15  -2.360   2.475  -1.708
  102    H    CYS  16           H        CYS  16  -4.025   3.317   1.814
  103    HA   CYS  16           HA       CYS  16  -5.883   5.187   1.199
  104    HB2  CYS  16           2HB      CYS  16  -3.651   5.012   3.020
  105    HB3  CYS  16           1HB      CYS  16  -3.865   6.670   2.467
  106    H    ASP  17           H        ASP  17  -2.554   5.150   0.075
  107    HA   ASP  17           HA       ASP  17  -3.278   7.179  -1.928
  108    HB2  ASP  17           1HB      ASP  17  -0.925   7.288  -0.046
  109    HB3  ASP  17           2HB      ASP  17  -0.942   8.166  -1.574
  110    H    LEU  18           H        LEU  18  -3.360   5.495  -3.447
  111    HA   LEU  18           HA       LEU  18  -1.220   3.661  -3.866
  112    HB2  LEU  18           1HB      LEU  18  -3.542   4.542  -5.595
  113    HB3  LEU  18           2HB      LEU  18  -2.381   3.320  -6.110
  114    HG   LEU  18           HG       LEU  18  -3.795   3.077  -3.453
  115   HD11  LEU  18          1HD1      LEU  18  -5.710   3.105  -4.758
  116   HD12  LEU  18          2HD1      LEU  18  -5.250   1.413  -4.951
  117   HD13  LEU  18          3HD1      LEU  18  -4.853   2.585  -6.209
  118   HD21  LEU  18          3HD2      LEU  18  -1.782   1.603  -4.667
  119   HD22  LEU  18          1HD2      LEU  18  -3.231   0.710  -5.114
  120   HD23  LEU  18          2HD2      LEU  18  -2.860   0.992  -3.418
  121    H    ASP  19           H        ASP  19  -1.779   6.937  -4.801
  122    HA   ASP  19           HA       ASP  19  -0.034   6.968  -7.080
  123    HB2  ASP  19           1HB      ASP  19  -1.197   9.158  -5.353
  124    HB3  ASP  19           2HB      ASP  19  -0.173   9.473  -6.752
  125    H    ASN  20           H        ASN  20   0.333   7.638  -3.630
  126    HA   ASN  20           HA       ASN  20   3.149   8.361  -4.054
  127    HB2  ASN  20           1HB      ASN  20   1.453   8.460  -1.555
  128    HB3  ASN  20           2HB      ASN  20   3.111   9.019  -1.679
  129   HD21  ASN  20          1HD2      ASN  20   0.288  11.598  -2.489
  130   HD22  ASN  20          2HD2      ASN  20   0.167  10.274  -1.443
  131    H    PHE  21           H        PHE  21   1.227   5.680  -3.235
  132    HA   PHE  21           HA       PHE  21   3.616   4.229  -2.307
  133    HB2  PHE  21           2HB      PHE  21   0.824   3.971  -1.179
  134    HB3  PHE  21           1HB      PHE  21   2.167   2.898  -0.792
  135    HD1  PHE  21           1HD      PHE  21   1.130   6.467  -0.745
  136    HD2  PHE  21           2HD      PHE  21   3.738   3.489   0.905
  137    HE1  PHE  21           1HE      PHE  21   1.868   8.078   0.989
  138    HE2  PHE  21           2HE      PHE  21   4.487   5.099   2.631
  139    HZ   PHE  21           HZ       PHE  21   3.555   7.395   2.673
  140    H    TYR  22           H        TYR  22   3.545   1.927  -2.676
  141    HA   TYR  22           HA       TYR  22   1.688   1.103  -4.814
  142    HB2  TYR  22           2HB      TYR  22   3.527   0.032  -6.012
  143    HB3  TYR  22           1HB      TYR  22   3.860   1.752  -5.826
  144    HD1  TYR  22           1HD      TYR  22   4.640  -1.624  -4.453
  145    HD2  TYR  22           2HD      TYR  22   5.714   2.525  -4.625
  146    HE1  TYR  22           1HE      TYR  22   6.806  -2.135  -3.461
  147    HE2  TYR  22           2HE      TYR  22   7.870   2.003  -3.583
  148    HH   TYR  22           HH       TYR  22   9.378   0.159  -3.278
  149    H    CYS  23           H        CYS  23   1.784  -1.277  -5.171
  150    HA   CYS  23           HA       CYS  23   1.901  -2.644  -2.590
  151    HB2  CYS  23           2HB      CYS  23   0.407  -3.211  -5.127
  152    HB3  CYS  23           1HB      CYS  23   0.543  -4.391  -3.829
  153    HA   PRO  24           HA       PRO  24   5.829  -4.357  -4.241
  154    HB2  PRO  24           2HB      PRO  24   5.299  -6.089  -1.850
  155    HB3  PRO  24           1HB      PRO  24   6.806  -5.316  -2.363
  156    HG2  PRO  24           2HG      PRO  24   5.421  -4.297  -0.395
  157    HG3  PRO  24           1HG      PRO  24   6.166  -3.248  -1.595
  158    HD2  PRO  24           2HD      PRO  24   3.300  -3.993  -1.271
  159    HD3  PRO  24           1HD      PRO  24   4.020  -2.465  -1.810
  160    H    MET  25           H        MET  25   6.303  -6.152  -5.443
  161    HA   MET  25           HA       MET  25   4.134  -7.829  -6.295
  162    HB2  MET  25           1HB      MET  25   7.092  -8.112  -6.877
  163    HB3  MET  25           2HB      MET  25   5.765  -8.840  -7.784
  164    HG2  MET  25           1HG      MET  25   6.208  -5.860  -7.447
  165    HG3  MET  25           2HG      MET  25   6.629  -6.788  -8.887
  166    HE1  MET  25           3HE      MET  25   3.745  -4.258  -9.147
  167    HE2  MET  25           1HE      MET  25   4.363  -5.112 -10.569
  168    HE3  MET  25           2HE      MET  25   5.469  -4.585  -9.302
  169    H    GLU  26           H        GLU  26   3.754  -8.607  -3.988
  170    HA   GLU  26           HA       GLU  26   5.121 -11.171  -3.658
  171    HB2  GLU  26           1HB      GLU  26   4.750  -9.138  -1.444
  172    HB3  GLU  26           2HB      GLU  26   5.285 -10.804  -1.210
  173    HG2  GLU  26           1HG      GLU  26   7.223 -10.379  -2.693
  174    HG3  GLU  26           2HG      GLU  26   6.702  -8.704  -2.877
  175    H    PHE  27           H        PHE  27   3.938 -12.479  -1.960
  176    HA   PHE  27           HA       PHE  27   1.191 -12.659  -2.689
  177    HB2  PHE  27           2HB      PHE  27   1.321 -14.292  -0.554
  178    HB3  PHE  27           1HB      PHE  27   1.927 -14.751  -2.144
  179    HD1  PHE  27           1HD      PHE  27   2.806 -14.030   1.300
  180    HD2  PHE  27           2HD      PHE  27   4.377 -14.411  -2.680
  181    HE1  PHE  27           1HE      PHE  27   5.100 -14.246   2.223
  182    HE2  PHE  27           2HE      PHE  27   6.666 -14.635  -1.755
  183    HZ   PHE  27           HZ       PHE  27   7.029 -14.552   0.696
  184    H    ILE  28           H        ILE  28   2.856 -10.811  -0.375
  185    HA   ILE  28           HA       ILE  28   0.307  -9.940   0.782
  186    HB   ILE  28           HB       ILE  28   1.483  -9.821   3.029
  187   HG12  ILE  28          1HG1      ILE  28   3.332 -11.820   1.703
  188   HG13  ILE  28          2HG1      ILE  28   3.787 -10.161   2.057
  189   HG21  ILE  28          1HG2      ILE  28  -0.236 -11.518   2.421
  190   HG22  ILE  28          2HG2      ILE  28   0.967 -12.157   3.542
  191   HG23  ILE  28          3HG2      ILE  28   1.051 -12.570   1.829
  192   HD11  ILE  28          3HD1      ILE  28   3.091 -10.671   4.486
  193   HD12  ILE  28          1HD1      ILE  28   4.593 -11.391   3.906
  194   HD13  ILE  28          2HD1      ILE  28   3.128 -12.366   4.001
  195    HA   PRO  29           HA       PRO  29   3.168  -6.540  -0.727
  196    HB2  PRO  29           2HB      PRO  29   0.534  -5.462  -1.559
  197    HB3  PRO  29           1HB      PRO  29   2.044  -5.576  -2.476
  198    HG2  PRO  29           2HG      PRO  29  -0.013  -7.163  -2.989
  199    HG3  PRO  29           1HG      PRO  29   1.652  -7.769  -3.085
  200    HD2  PRO  29           2HD      PRO  29  -0.394  -8.182  -0.923
  201    HD3  PRO  29           1HD      PRO  29   0.794  -9.332  -1.575
  202    H    HIS  30           H        HIS  30   3.564  -4.664   0.397
  203    HA   HIS  30           HA       HIS  30   1.454  -3.744   2.260
  204    HB2  HIS  30           1HB      HIS  30   4.430  -3.863   2.799
  205    HB3  HIS  30           2HB      HIS  30   3.227  -3.130   3.857
  206    HD1  HIS  30           HD1      HIS  30   4.403  -6.470   2.589
  207    HD2  HIS  30           HD2      HIS  30   1.601  -4.957   5.277
  208    HE1  HIS  30           HE1      HIS  30   3.551  -8.446   3.922
  209    H    CYS  31           H        CYS  31   1.017  -1.609   2.232
  210    HA   CYS  31           HA       CYS  31   1.621   0.036   0.140
  211    HB2  CYS  31           2HB      CYS  31   1.012   0.658   3.019
  212    HB3  CYS  31           1HB      CYS  31   1.244   1.943   1.844
  213    H    LYS  32           H        LYS  32   3.492   0.750  -0.636
  214    HA   LYS  32           HA       LYS  32   5.583   1.584   1.258
  215    HB2  LYS  32           1HB      LYS  32   6.025  -0.734   0.346
  216    HB3  LYS  32           2HB      LYS  32   6.144  -0.002  -1.245
  217    HG2  LYS  32           1HG      LYS  32   8.375  -0.011  -0.575
  218    HG3  LYS  32           2HG      LYS  32   7.872   1.604  -0.090
  219    HD2  LYS  32           1HD      LYS  32   7.482   0.832   2.206
  220    HD3  LYS  32           2HD      LYS  32   7.902  -0.814   1.741
  221    HE2  LYS  32           1HE      LYS  32   9.773   1.557   1.504
  222    HE3  LYS  32           2HE      LYS  32   9.779   0.417   2.850
  223    HZ1  LYS  32           3HZ      LYS  32  11.299  -0.575   1.520
  224    HZ2  LYS  32           1HZ      LYS  32  10.633   0.037   0.085
  225    HZ3  LYS  32           2HZ      LYS  32   9.904  -1.287   0.860
  226    H    LYS  33           H        LYS  33   6.496   3.474   0.778
  227    HA   LYS  33           HA       LYS  33   5.472   5.087  -1.295
  228    HB2  LYS  33           1HB      LYS  33   6.465   5.847   0.912
  229    HB3  LYS  33           2HB      LYS  33   8.042   5.591   0.178
  230    HG2  LYS  33           1HG      LYS  33   7.588   7.197  -1.562
  231    HG3  LYS  33           2HG      LYS  33   5.905   7.346  -1.061
  232    HD2  LYS  33           1HD      LYS  33   8.094   7.952   0.905
  233    HD3  LYS  33           2HD      LYS  33   7.639   9.160  -0.296
  234    HE2  LYS  33           1HE      LYS  33   5.273   8.994   0.468
  235    HE3  LYS  33           2HE      LYS  33   5.770   7.855   1.714
  236    HZ1  LYS  33           3HZ      LYS  33   6.082  10.714   1.610
  237    HZ2  LYS  33           1HZ      LYS  33   7.493   9.891   2.071
  238    HZ3  LYS  33           2HZ      LYS  33   6.056   9.671   2.950
  239    H    TYR  34           H        TYR  34   6.295   5.705  -3.253
  240    HA   TYR  34           HA       TYR  34   7.828   3.863  -4.721
  241    HB2  TYR  34           2HB      TYR  34   7.157   6.729  -5.200
  242    HB3  TYR  34           1HB      TYR  34   8.017   5.754  -6.383
  243    HD1  TYR  34           1HD      TYR  34   4.835   6.313  -4.642
  244    HD2  TYR  34           2HD      TYR  34   6.893   3.899  -7.526
  245    HE1  TYR  34           1HE      TYR  34   2.673   5.389  -5.400
  246    HE2  TYR  34           2HE      TYR  34   4.726   2.972  -8.295
  247    HH   TYR  34           HH       TYR  34   1.950   4.250  -7.920
  248    H    LYS  35           H        LYS  35   8.742   6.912  -3.213
  249    HA   LYS  35           HA       LYS  35  11.568   6.103  -3.405
  250    HB2  LYS  35           1HB      LYS  35  10.414   8.829  -3.993
  251    HB3  LYS  35           2HB      LYS  35  12.131   8.495  -3.779
  252    HG2  LYS  35           1HG      LYS  35  12.203   7.076  -5.691
  253    HG3  LYS  35           2HG      LYS  35  10.446   6.988  -5.783
  254    HD2  LYS  35           1HD      LYS  35  11.316   8.499  -7.512
  255    HD3  LYS  35           2HD      LYS  35  10.356   9.393  -6.336
  256    HE2  LYS  35           1HE      LYS  35  12.544  10.494  -6.977
  257    HE3  LYS  35           2HE      LYS  35  12.339  10.237  -5.248
  258    HZ1  LYS  35           3HZ      LYS  35  13.661   8.226  -5.420
  259    HZ2  LYS  35           1HZ      LYS  35  14.536   9.554  -6.009
  260    HZ3  LYS  35           2HZ      LYS  35  13.834   8.452  -7.095
  261    HA   PRO  36           HA       PRO  36  10.283   7.035   0.980
  262    HB2  PRO  36           2HB      PRO  36  12.472   5.048   1.391
  263    HB3  PRO  36           1HB      PRO  36  10.867   5.128   2.142
  264    HG2  PRO  36           2HG      PRO  36  11.414   3.317   0.284
  265    HG3  PRO  36           1HG      PRO  36   9.830   4.110   0.351
  266    HD2  PRO  36           2HD      PRO  36  12.114   4.615  -1.529
  267    HD3  PRO  36           1HD      PRO  36  10.364   4.636  -1.853
  268    H    TYR  37           H        TYR  37  11.286   8.489   2.302
  269    HA   TYR  37           HA       TYR  37  14.157   8.893   2.242
  270    HB2  TYR  37           2HB      TYR  37  13.550  11.468   1.827
  271    HB3  TYR  37           1HB      TYR  37  13.958  10.372   0.509
  272    HD1  TYR  37           1HD      TYR  37  10.862  10.935   2.584
  273    HD2  TYR  37           2HD      TYR  37  12.591  10.724  -1.344
  274    HE1  TYR  37           1HE      TYR  37   8.630  11.288   1.584
  275    HE2  TYR  37           2HE      TYR  37  10.354  11.086  -2.342
  276    HH   TYR  37           HH       TYR  37   7.995  12.353  -1.158
  277    H    VAL  38           H        VAL  38  14.748  10.780   3.722
  278    HA   VAL  38           HA       VAL  38  12.756  11.159   5.858
  279    HB   VAL  38           HB       VAL  38  14.128   9.290   6.584
  280   HG11  VAL  38          1HG1      VAL  38  16.671  10.565   6.893
  281   HG12  VAL  38          2HG1      VAL  38  16.171  10.734   5.209
  282   HG13  VAL  38          3HG1      VAL  38  16.276   9.133   5.941
  283   HG21  VAL  38          3HG2      VAL  38  14.398  10.113   8.698
  284   HG22  VAL  38          1HG2      VAL  38  13.656  11.563   8.020
  285   HG23  VAL  38          2HG2      VAL  38  15.411  11.450   8.152
  286    HA   PRO  39           HA       PRO  39  14.963  15.074   4.458
  287    HB2  PRO  39           2HB      PRO  39  12.198  16.055   5.006
  288    HB3  PRO  39           1HB      PRO  39  13.284  16.439   3.655
  289    HG2  PRO  39           2HG      PRO  39  11.234  14.828   3.283
  290    HG3  PRO  39           1HG      PRO  39  12.803  14.468   2.537
  291    HD2  PRO  39           2HD      PRO  39  11.547  13.224   4.970
  292    HD3  PRO  39           1HD      PRO  39  12.465  12.451   3.656
  293    H    VAL  40           H        VAL  40  12.650  14.490   7.046
  294    HA   VAL  40           HA       VAL  40  14.427  15.790   8.961
  295    HB   VAL  40           HB       VAL  40  12.983  17.626   8.186
  296   HG11  VAL  40          1HG1      VAL  40  10.584  16.287   9.362
  297   HG12  VAL  40          2HG1      VAL  40  11.080  15.813   7.738
  298   HG13  VAL  40          3HG1      VAL  40  10.677  17.495   8.081
  299   HG21  VAL  40          3HG2      VAL  40  13.478  16.874  10.801
  300   HG22  VAL  40          1HG2      VAL  40  11.734  17.131  10.802
  301   HG23  VAL  40          2HG2      VAL  40  12.816  18.432  10.305
  302    H    THR  41           H        THR  41  14.197  15.025  11.044
  303    HA   THR  41           HA       THR  41  12.958  12.476  11.353
  304    HB   THR  41           HB       THR  41  13.702  12.653  13.696
  305    HG1  THR  41           1HG      THR  41  13.254  14.878  13.942
  306   HG21  THR  41          3HG2      THR  41  15.889  13.845  12.008
  307   HG22  THR  41          1HG2      THR  41  15.274  12.230  11.656
  308   HG23  THR  41          2HG2      THR  41  15.998  12.574  13.228
  309    H    THR  42           H        THR  42  11.961  15.748  11.958
  310    HA   THR  42           HA       THR  42  10.007  16.657  12.752
  311    HB   THR  42           HB       THR  42   8.269  14.382  12.611
  312    HG1  THR  42           1HG      THR  42   9.436  14.731  10.136
  313   HG21  THR  42          3HG2      THR  42   7.676  16.748  12.185
  314   HG22  THR  42          1HG2      THR  42   7.248  15.717  10.821
  315   HG23  THR  42          2HG2      THR  42   8.688  16.732  10.741
  Start of MODEL   20
    1    HA   ASP   1           HA       ASP   1 -11.894   3.201   5.433
    2    HB2  ASP   1           1HB      ASP   1  -9.661   2.537   7.365
    3    HB3  ASP   1           2HB      ASP   1  -9.796   4.100   6.561
    4    H    CYS   2           H        CYS   2  -8.536   2.517   5.814
    5    HA   CYS   2           HA       CYS   2  -8.166   1.543   3.103
    6    HB2  CYS   2           2HB      CYS   2  -6.814   3.410   2.363
    7    HB3  CYS   2           1HB      CYS   2  -8.413   4.001   2.816
    8    H    ALA   3           H        ALA   3  -5.771   1.307   2.617
    9    HA   ALA   3           HA       ALA   3  -4.480   0.231   5.004
   10    HB1  ALA   3           3HB      ALA   3  -4.494  -0.401   2.193
   11    HB2  ALA   3           1HB      ALA   3  -3.878  -1.357   3.541
   12    HB3  ALA   3           2HB      ALA   3  -2.838  -0.172   2.754
   13    H    LYS   4           H        LYS   4  -2.775   1.131   5.990
   14    HA   LYS   4           HA       LYS   4  -1.728   3.650   4.900
   15    HB2  LYS   4           1HB      LYS   4  -1.415   2.395   7.633
   16    HB3  LYS   4           2HB      LYS   4  -0.793   3.974   7.148
   17    HG2  LYS   4           1HG      LYS   4  -3.058   4.771   6.683
   18    HG3  LYS   4           2HG      LYS   4  -3.721   3.181   7.059
   19    HD2  LYS   4           1HD      LYS   4  -4.054   4.312   9.074
   20    HD3  LYS   4           2HD      LYS   4  -2.502   3.529   9.359
   21    HE2  LYS   4           1HE      LYS   4  -2.368   5.868  10.050
   22    HE3  LYS   4           2HE      LYS   4  -1.349   5.624   8.632
   23    HZ1  LYS   4           3HZ      LYS   4  -2.623   6.958   7.406
   24    HZ2  LYS   4           1HZ      LYS   4  -3.279   7.503   8.873
   25    HZ3  LYS   4           2HZ      LYS   4  -4.070   6.285   7.993
   26    H    GLU   5           H        GLU   5   0.674   4.041   5.358
   27    HA   GLU   5           HA       GLU   5   2.271   2.425   3.829
   28    HB2  GLU   5           1HB      GLU   5   2.917   4.660   4.655
   29    HB3  GLU   5           2HB      GLU   5   3.163   3.976   6.263
   30    HG2  GLU   5           1HG      GLU   5   4.903   2.490   5.406
   31    HG3  GLU   5           2HG      GLU   5   4.612   3.060   3.763
   32    H    GLY   6           H        GLY   6   3.131   0.462   4.013
   33    HA2  GLY   6           1HA      GLY   6   4.120  -1.395   5.006
   34    HA3  GLY   6           2HA      GLY   6   3.877  -0.659   6.580
   35    H    GLU   7           H        GLU   7   1.011  -0.449   4.926
   36    HA   GLU   7           HA       GLU   7  -0.072  -2.733   6.423
   37    HB2  GLU   7           1HB      GLU   7  -1.078  -0.395   6.589
   38    HB3  GLU   7           2HB      GLU   7  -1.645  -0.628   4.936
   39    HG2  GLU   7           1HG      GLU   7  -3.433  -1.296   6.396
   40    HG3  GLU   7           2HG      GLU   7  -2.747  -2.762   5.704
   41    H    VAL   8           H        VAL   8  -1.239  -4.383   5.468
   42    HA   VAL   8           HA       VAL   8  -0.441  -5.251   2.949
   43    HB   VAL   8           HB       VAL   8  -2.901  -5.992   4.539
   44   HG11  VAL   8          1HG1      VAL   8  -3.298  -6.677   2.273
   45   HG12  VAL   8          2HG1      VAL   8  -2.732  -8.109   3.128
   46   HG13  VAL   8          3HG1      VAL   8  -1.632  -7.220   2.076
   47   HG21  VAL   8          3HG2      VAL   8  -1.584  -7.690   5.486
   48   HG22  VAL   8          1HG2      VAL   8  -0.459  -6.335   5.415
   49   HG23  VAL   8          2HG2      VAL   8  -0.384  -7.610   4.198
   50    H    CYS   9           H        CYS   9  -1.132  -4.907   0.877
   51    HA   CYS   9           HA       CYS   9  -3.668  -3.398   0.545
   52    HB2  CYS   9           2HB      CYS   9  -2.629  -2.066  -1.210
   53    HB3  CYS   9           1HB      CYS   9  -1.700  -1.903   0.278
   54    H    SER  10           H        SER  10  -3.308  -3.310  -2.324
   55    HA   SER  10           HA       SER  10  -3.802  -4.542  -4.190
   56    HB2  SER  10           1HB      SER  10  -2.651  -6.952  -2.785
   57    HB3  SER  10           2HB      SER  10  -2.707  -6.614  -4.513
   58    HG   SER  10           HG       SER  10  -0.848  -5.707  -4.241
   59    H    TRP  11           H        TRP  11  -4.177  -7.639  -3.394
   60    HA   TRP  11           HA       TRP  11  -6.953  -7.698  -3.668
   61    HB2  TRP  11           2HB      TRP  11  -6.815 -10.022  -3.106
   62    HB3  TRP  11           1HB      TRP  11  -5.331  -9.624  -3.970
   63    HD1  TRP  11           1HD      TRP  11  -3.070  -9.495  -2.564
   64    HE1  TRP  11           1HE      TRP  11  -2.429 -10.435  -0.250
   65    HE3  TRP  11           3HE      TRP  11  -7.710 -10.566  -0.733
   66    HZ2  TRP  11           2HZ      TRP  11  -3.715 -11.504   2.071
   67    HZ3  TRP  11           3HZ      TRP  11  -7.978 -11.547   1.531
   68    HH2  TRP  11           2HH      TRP  11  -5.985 -12.018   2.933
   69    H    GLY  12           H        GLY  12  -4.923  -7.436  -0.806
   70    HA2  GLY  12           1HA      GLY  12  -6.875  -8.014   1.149
   71    HA3  GLY  12           2HA      GLY  12  -5.434  -7.035   1.403
   72    H    LYS  13           H        LYS  13  -5.961  -4.989  -0.456
   73    HA   LYS  13           HA       LYS  13  -8.487  -3.807  -0.332
   74    HB2  LYS  13           1HB      LYS  13  -7.129  -3.726   2.199
   75    HB3  LYS  13           2HB      LYS  13  -7.240  -2.091   1.548
   76    HG2  LYS  13           1HG      LYS  13  -9.664  -2.417   1.164
   77    HG3  LYS  13           2HG      LYS  13  -9.549  -4.030   1.866
   78    HD2  LYS  13           1HD      LYS  13 -10.008  -3.012   3.836
   79    HD3  LYS  13           2HD      LYS  13  -8.334  -2.458   3.780
   80    HE2  LYS  13           1HE      LYS  13  -9.675  -0.501   4.118
   81    HE3  LYS  13           2HE      LYS  13  -9.165  -0.467   2.431
   82    HZ1  LYS  13           3HZ      LYS  13 -11.544  -1.949   2.651
   83    HZ2  LYS  13           1HZ      LYS  13 -11.271  -0.507   1.802
   84    HZ3  LYS  13           2HZ      LYS  13 -11.762  -0.453   3.429
   85    H    LYS  14           H        LYS  14  -8.030  -1.154  -0.181
   86    HA   LYS  14           HA       LYS  14  -5.975  -0.707  -2.261
   87    HB2  LYS  14           1HB      LYS  14  -8.446   0.883  -1.522
   88    HB3  LYS  14           2HB      LYS  14  -7.282   1.358  -2.759
   89    HG2  LYS  14           1HG      LYS  14  -7.728  -0.749  -3.979
   90    HG3  LYS  14           2HG      LYS  14  -8.912  -1.202  -2.751
   91    HD2  LYS  14           1HD      LYS  14 -10.229   0.826  -3.275
   92    HD3  LYS  14           2HD      LYS  14  -9.051   1.263  -4.514
   93    HE2  LYS  14           1HE      LYS  14  -9.529  -0.829  -5.724
   94    HE3  LYS  14           2HE      LYS  14 -10.698  -1.284  -4.484
   95    HZ1  LYS  14           3HZ      LYS  14 -11.002   0.502  -6.688
   96    HZ2  LYS  14           1HZ      LYS  14 -11.417   1.249  -5.222
   97    HZ3  LYS  14           2HZ      LYS  14 -12.188  -0.192  -5.688
   98    H    CYS  15           H        CYS  15  -4.308   0.605  -1.905
   99    HA   CYS  15           HA       CYS  15  -3.706   1.444   0.748
  100    HB2  CYS  15           2HB      CYS  15  -2.100   0.833  -1.201
  101    HB3  CYS  15           1HB      CYS  15  -2.338   2.502  -1.706
  102    H    CYS  16           H        CYS  16  -4.176   3.301   1.753
  103    HA   CYS  16           HA       CYS  16  -6.041   5.123   1.008
  104    HB2  CYS  16           2HB      CYS  16  -4.165   4.917   3.081
  105    HB3  CYS  16           1HB      CYS  16  -3.923   6.522   2.392
  106    H    ASP  17           H        ASP  17  -2.649   5.168   0.122
  107    HA   ASP  17           HA       ASP  17  -3.278   7.224  -1.896
  108    HB2  ASP  17           1HB      ASP  17  -1.013   7.213   0.085
  109    HB3  ASP  17           2HB      ASP  17  -0.891   8.081  -1.441
  110    H    LEU  18           H        LEU  18  -3.371   5.573  -3.450
  111    HA   LEU  18           HA       LEU  18  -1.243   3.717  -3.862
  112    HB2  LEU  18           1HB      LEU  18  -3.559   4.628  -5.567
  113    HB3  LEU  18           2HB      LEU  18  -2.394   3.424  -6.123
  114    HG   LEU  18           HG       LEU  18  -3.766   3.121  -3.453
  115   HD11  LEU  18          1HD1      LEU  18  -5.378   1.598  -4.729
  116   HD12  LEU  18          2HD1      LEU  18  -4.816   2.394  -6.198
  117   HD13  LEU  18          3HD1      LEU  18  -5.626   3.330  -4.942
  118   HD21  LEU  18          3HD2      LEU  18  -2.790   1.061  -3.453
  119   HD22  LEU  18          1HD2      LEU  18  -1.771   1.672  -4.758
  120   HD23  LEU  18          2HD2      LEU  18  -3.238   0.768  -5.131
  121    H    ASP  19           H        ASP  19  -1.744   7.002  -4.727
  122    HA   ASP  19           HA       ASP  19   0.005   7.033  -7.006
  123    HB2  ASP  19           1HB      ASP  19  -1.130   9.229  -5.266
  124    HB3  ASP  19           2HB      ASP  19  -0.131   9.525  -6.687
  125    H    ASN  20           H        ASN  20   0.341   7.632  -3.549
  126    HA   ASN  20           HA       ASN  20   3.161   8.365  -3.927
  127    HB2  ASN  20           1HB      ASN  20   1.412   8.442  -1.463
  128    HB3  ASN  20           2HB      ASN  20   3.084   8.981  -1.531
  129   HD21  ASN  20          1HD2      ASN  20   0.380  11.650  -2.298
  130   HD22  ASN  20          2HD2      ASN  20   0.271  10.348  -1.220
  131    H    PHE  21           H        PHE  21   1.230   5.680  -3.211
  132    HA   PHE  21           HA       PHE  21   3.590   4.199  -2.263
  133    HB2  PHE  21           2HB      PHE  21   0.784   3.957  -1.160
  134    HB3  PHE  21           1HB      PHE  21   2.125   2.883  -0.761
  135    HD1  PHE  21           1HD      PHE  21   1.045   6.441  -0.681
  136    HD2  PHE  21           2HD      PHE  21   3.732   3.496   0.876
  137    HE1  PHE  21           1HE      PHE  21   1.785   8.044   1.057
  138    HE2  PHE  21           2HE      PHE  21   4.483   5.091   2.609
  139    HZ   PHE  21           HZ       PHE  21   3.514   7.371   2.701
  140    H    TYR  22           H        TYR  22   3.559   1.929  -2.734
  141    HA   TYR  22           HA       TYR  22   1.662   1.138  -4.853
  142    HB2  TYR  22           2HB      TYR  22   3.504   0.110  -6.103
  143    HB3  TYR  22           1HB      TYR  22   3.801   1.836  -5.890
  144    HD1  TYR  22           1HD      TYR  22   4.657  -1.540  -4.579
  145    HD2  TYR  22           2HD      TYR  22   5.645   2.635  -4.692
  146    HE1  TYR  22           1HE      TYR  22   6.813  -2.026  -3.605
  147    HE2  TYR  22           2HE      TYR  22   7.798   2.133  -3.650
  148    HH   TYR  22           HH       TYR  22   8.983   0.527  -2.516
  149    H    CYS  23           H        CYS  23   1.843  -1.279  -5.285
  150    HA   CYS  23           HA       CYS  23   1.952  -2.632  -2.687
  151    HB2  CYS  23           2HB      CYS  23   0.478  -3.271  -5.233
  152    HB3  CYS  23           1HB      CYS  23   0.642  -4.406  -3.890
  153    HA   PRO  24           HA       PRO  24   5.889  -4.314  -4.327
  154    HB2  PRO  24           2HB      PRO  24   5.514  -5.978  -1.869
  155    HB3  PRO  24           1HB      PRO  24   6.940  -5.084  -2.419
  156    HG2  PRO  24           2HG      PRO  24   5.456  -4.170  -0.454
  157    HG3  PRO  24           1HG      PRO  24   6.162  -3.086  -1.657
  158    HD2  PRO  24           2HD      PRO  24   3.352  -3.982  -1.343
  159    HD3  PRO  24           1HD      PRO  24   4.006  -2.431  -1.891
  160    H    MET  25           H        MET  25   6.402  -6.166  -5.431
  161    HA   MET  25           HA       MET  25   4.229  -7.941  -6.119
  162    HB2  MET  25           1HB      MET  25   7.134  -7.843  -6.943
  163    HB3  MET  25           2HB      MET  25   5.997  -9.054  -7.538
  164    HG2  MET  25           1HG      MET  25   4.572  -7.330  -8.486
  165    HG3  MET  25           2HG      MET  25   5.565  -6.064  -7.769
  166    HE1  MET  25           3HE      MET  25   5.135  -8.862 -10.162
  167    HE2  MET  25           1HE      MET  25   6.730  -9.475  -9.703
  168    HE3  MET  25           2HE      MET  25   6.471  -8.799 -11.309
  169    H    GLU  26           H        GLU  26   4.004  -8.684  -3.803
  170    HA   GLU  26           HA       GLU  26   5.583 -11.125  -3.431
  171    HB2  GLU  26           1HB      GLU  26   5.049  -9.022  -1.322
  172    HB3  GLU  26           2HB      GLU  26   5.667 -10.638  -0.978
  173    HG2  GLU  26           1HG      GLU  26   7.621 -10.218  -2.401
  174    HG3  GLU  26           2HG      GLU  26   6.997  -8.623  -2.814
  175    H    PHE  27           H        PHE  27   4.530 -12.347  -1.491
  176    HA   PHE  27           HA       PHE  27   1.953 -13.146  -2.262
  177    HB2  PHE  27           2HB      PHE  27   3.442 -14.610  -0.974
  178    HB3  PHE  27           1HB      PHE  27   3.320 -13.530   0.414
  179    HD1  PHE  27           1HD      PHE  27   1.215 -15.556  -1.927
  180    HD2  PHE  27           2HD      PHE  27   1.586 -13.813   1.980
  181    HE1  PHE  27           1HE      PHE  27  -0.862 -16.708  -1.215
  182    HE2  PHE  27           2HE      PHE  27  -0.491 -14.962   2.690
  183    HZ   PHE  27           HZ       PHE  27  -1.717 -16.410   1.094
  184    H    ILE  28           H        ILE  28   3.019 -11.034   0.382
  185    HA   ILE  28           HA       ILE  28   0.254 -10.001   0.579
  186    HB   ILE  28           HB       ILE  28   0.934  -9.530   3.020
  187   HG12  ILE  28          1HG1      ILE  28   2.782 -11.856   2.432
  188   HG13  ILE  28          2HG1      ILE  28   3.347 -10.192   2.570
  189   HG21  ILE  28          1HG2      ILE  28   0.043 -12.041   1.707
  190   HG22  ILE  28          2HG2      ILE  28  -0.771 -11.054   2.920
  191   HG23  ILE  28          3HG2      ILE  28   0.502 -12.176   3.406
  192   HD11  ILE  28          3HD1      ILE  28   2.078 -11.919   4.698
  193   HD12  ILE  28          1HD1      ILE  28   2.166 -10.166   4.865
  194   HD13  ILE  28          2HD1      ILE  28   3.647 -11.118   4.742
  195    HA   PRO  29           HA       PRO  29   3.211  -6.628  -0.706
  196    HB2  PRO  29           2HB      PRO  29   0.591  -5.591  -1.654
  197    HB3  PRO  29           1HB      PRO  29   2.150  -5.654  -2.498
  198    HG2  PRO  29           2HG      PRO  29   0.161  -7.305  -3.092
  199    HG3  PRO  29           1HG      PRO  29   1.846  -7.853  -3.134
  200    HD2  PRO  29           2HD      PRO  29  -0.285  -8.407  -1.108
  201    HD3  PRO  29           1HD      PRO  29   1.052  -9.441  -1.656
  202    H    HIS  30           H        HIS  30   3.597  -4.739   0.381
  203    HA   HIS  30           HA       HIS  30   1.466  -3.774   2.212
  204    HB2  HIS  30           1HB      HIS  30   4.443  -3.930   2.761
  205    HB3  HIS  30           2HB      HIS  30   3.262  -3.145   3.802
  206    HD1  HIS  30           HD1      HIS  30   4.455  -6.519   2.718
  207    HD2  HIS  30           HD2      HIS  30   1.494  -4.909   5.168
  208    HE1  HIS  30           HE1      HIS  30   3.538  -8.440   4.087
  209    H    CYS  31           H        CYS  31   1.041  -1.628   2.178
  210    HA   CYS  31           HA       CYS  31   1.655   0.010   0.086
  211    HB2  CYS  31           2HB      CYS  31   1.068   0.647   2.964
  212    HB3  CYS  31           1HB      CYS  31   1.292   1.927   1.777
  213    H    LYS  32           H        LYS  32   3.544   0.619  -0.710
  214    HA   LYS  32           HA       LYS  32   5.662   1.439   1.173
  215    HB2  LYS  32           1HB      LYS  32   6.158  -0.796   0.199
  216    HB3  LYS  32           2HB      LYS  32   6.062  -0.084  -1.405
  217    HG2  LYS  32           1HG      LYS  32   8.401  -0.228  -0.689
  218    HG3  LYS  32           2HG      LYS  32   7.922   1.461  -0.829
  219    HD2  LYS  32           1HD      LYS  32   7.924   1.797   1.468
  220    HD3  LYS  32           2HD      LYS  32   7.596   0.101   1.823
  221    HE2  LYS  32           1HE      LYS  32   9.908   0.715   2.419
  222    HE3  LYS  32           2HE      LYS  32   9.881  -0.487   1.128
  223    HZ1  LYS  32           3HZ      LYS  32  11.290   1.746   0.989
  224    HZ2  LYS  32           1HZ      LYS  32   9.843   2.302   0.305
  225    HZ3  LYS  32           2HZ      LYS  32  10.651   0.974  -0.381
  226    H    LYS  33           H        LYS  33   6.547   3.366   0.767
  227    HA   LYS  33           HA       LYS  33   5.477   5.049  -1.240
  228    HB2  LYS  33           1HB      LYS  33   6.404   5.777   0.977
  229    HB3  LYS  33           2HB      LYS  33   8.015   5.513   0.313
  230    HG2  LYS  33           1HG      LYS  33   7.657   7.152  -1.422
  231    HG3  LYS  33           2HG      LYS  33   5.953   7.314  -0.999
  232    HD2  LYS  33           1HD      LYS  33   8.100   7.879   1.042
  233    HD3  LYS  33           2HD      LYS  33   7.633   9.114  -0.124
  234    HE2  LYS  33           1HE      LYS  33   5.226   8.785   0.627
  235    HE3  LYS  33           2HE      LYS  33   5.841   7.756   1.919
  236    HZ1  LYS  33           3HZ      LYS  33   7.303   9.678   2.530
  237    HZ2  LYS  33           1HZ      LYS  33   5.646   9.893   2.815
  238    HZ3  LYS  33           2HZ      LYS  33   6.376  10.627   1.470
  239    H    TYR  34           H        TYR  34   6.207   5.683  -3.202
  240    HA   TYR  34           HA       TYR  34   7.875   4.000  -4.712
  241    HB2  TYR  34           2HB      TYR  34   7.151   6.866  -5.106
  242    HB3  TYR  34           1HB      TYR  34   7.999   5.912  -6.313
  243    HD1  TYR  34           1HD      TYR  34   4.830   6.442  -4.540
  244    HD2  TYR  34           2HD      TYR  34   6.870   4.079  -7.476
  245    HE1  TYR  34           1HE      TYR  34   2.664   5.524  -5.297
  246    HE2  TYR  34           2HE      TYR  34   4.702   3.160  -8.245
  247    HH   TYR  34           HH       TYR  34   2.505   3.170  -7.981
  248    H    LYS  35           H        LYS  35   9.734   5.529  -6.011
  249    HA   LYS  35           HA       LYS  35  11.630   6.395  -3.932
  250    HB2  LYS  35           1HB      LYS  35  13.423   5.164  -5.204
  251    HB3  LYS  35           2HB      LYS  35  12.273   4.137  -4.350
  252    HG2  LYS  35           1HG      LYS  35  11.664   4.874  -7.188
  253    HG3  LYS  35           2HG      LYS  35  12.911   3.664  -6.895
  254    HD2  LYS  35           1HD      LYS  35  11.279   2.377  -5.498
  255    HD3  LYS  35           2HD      LYS  35  10.026   3.540  -5.928
  256    HE2  LYS  35           1HE      LYS  35  10.361   3.013  -8.311
  257    HE3  LYS  35           2HE      LYS  35  11.596   1.831  -7.869
  258    HZ1  LYS  35           3HZ      LYS  35   9.840   0.776  -6.439
  259    HZ2  LYS  35           1HZ      LYS  35   9.596   0.640  -8.113
  260    HZ3  LYS  35           2HZ      LYS  35   8.707   1.777  -7.216
  261    HA   PRO  36           HA       PRO  36  11.439   9.115  -7.755
  262    HB2  PRO  36           2HB      PRO  36  10.602  11.395  -6.490
  263    HB3  PRO  36           1HB      PRO  36   9.484  10.193  -7.165
  264    HG2  PRO  36           2HG      PRO  36  10.329  10.622  -4.345
  265    HG3  PRO  36           1HG      PRO  36   8.742  10.180  -4.997
  266    HD2  PRO  36           2HD      PRO  36  10.460   8.377  -3.852
  267    HD3  PRO  36           1HD      PRO  36   9.255   7.935  -5.082
  268    H    TYR  37           H        TYR  37  13.054  10.569  -8.332
  269    HA   TYR  37           HA       TYR  37  15.031  11.212  -6.224
  270    HB2  TYR  37           2HB      TYR  37  15.477  10.770  -9.186
  271    HB3  TYR  37           1HB      TYR  37  16.723  11.163  -8.000
  272    HD1  TYR  37           1HD      TYR  37  14.321   8.590  -9.117
  273    HD2  TYR  37           2HD      TYR  37  17.521   9.517  -6.407
  274    HE1  TYR  37           1HE      TYR  37  14.536   6.189  -8.555
  275    HE2  TYR  37           2HE      TYR  37  17.740   7.111  -5.843
  276    HH   TYR  37           HH       TYR  37  15.397   4.810  -6.672
  277    H    VAL  38           H        VAL  38  12.629  12.595  -7.907
  278    HA   VAL  38           HA       VAL  38  14.008  15.210  -7.997
  279    HB   VAL  38           HB       VAL  38  12.673  15.794  -9.980
  280   HG11  VAL  38          1HG1      VAL  38  14.060  14.683 -11.518
  281   HG12  VAL  38          2HG1      VAL  38  14.045  13.183 -10.591
  282   HG13  VAL  38          3HG1      VAL  38  14.982  14.565 -10.017
  283   HG21  VAL  38          3HG2      VAL  38  10.807  14.568 -10.336
  284   HG22  VAL  38          1HG2      VAL  38  11.376  13.278  -9.278
  285   HG23  VAL  38          2HG2      VAL  38  11.868  13.310 -10.972
  286    HA   PRO  39           HA       PRO  39  10.035  15.204  -5.501
  287    HB2  PRO  39           2HB      PRO  39  11.141  16.001  -3.131
  288    HB3  PRO  39           1HB      PRO  39  10.973  14.299  -3.605
  289    HG2  PRO  39           2HG      PRO  39  13.361  16.072  -3.716
  290    HG3  PRO  39           1HG      PRO  39  13.244  14.364  -3.267
  291    HD2  PRO  39           2HD      PRO  39  14.120  15.204  -5.709
  292    HD3  PRO  39           1HD      PRO  39  13.309  13.644  -5.456
  293    H    VAL  40           H        VAL  40  12.626  17.373  -6.113
  294    HA   VAL  40           HA       VAL  40  11.593  19.750  -4.990
  295    HB   VAL  40           HB       VAL  40  13.936  19.434  -5.834
  296   HG11  VAL  40          1HG1      VAL  40  12.767  20.006  -8.561
  297   HG12  VAL  40          2HG1      VAL  40  13.071  18.358  -8.011
  298   HG13  VAL  40          3HG1      VAL  40  14.408  19.496  -8.158
  299   HG21  VAL  40          3HG2      VAL  40  12.475  21.767  -7.111
  300   HG22  VAL  40          1HG2      VAL  40  14.163  21.722  -6.597
  301   HG23  VAL  40          2HG2      VAL  40  12.873  21.681  -5.394
  302    H    THR  41           H        THR  41  10.908  18.057  -7.972
  303    HA   THR  41           HA       THR  41   9.622  20.142  -9.374
  304    HB   THR  41           HB       THR  41  10.341  17.825 -10.232
  305    HG1  THR  41           1HG      THR  41   8.970  18.102 -11.866
  306   HG21  THR  41          3HG2      THR  41   7.543  17.043  -9.447
  307   HG22  THR  41          1HG2      THR  41   8.901  16.728  -8.367
  308   HG23  THR  41          2HG2      THR  41   8.872  16.009  -9.978
  309    H    THR  42           H        THR  42   8.586  18.066  -6.773
  310    HA   THR  42           HA       THR  42   5.820  19.052  -7.022
  311    HB   THR  42           HB       THR  42   6.560  17.032  -4.967
  312    HG1  THR  42           1HG      THR  42   6.089  15.622  -7.044
  313   HG21  THR  42          3HG2      THR  42   4.227  18.021  -5.590
  314   HG22  THR  42          1HG2      THR  42   4.370  16.281  -5.337
  315   HG23  THR  42          2HG2      THR  42   4.322  16.933  -6.975