*HEADER    ANTIMICROBIAL PROTEIN                   28-MAY-07   2JQ2              
*TITLE     NMR STRUCTURE OF THE ANTICOCCIDIAL PEPTIDE PW2 IN DPC                 
*TITLE    2 MICELLES                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PW2;                                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS SYNTHESIZED AFTER BEING               
*SOURCE   4 SELECTED BY PHAGE DISPLAY USING EIMERIA SP CELLS AS A                
*SOURCE   5 TARGET.                                                              
*KEYWDS    PW2, DPC, MEMBRANE, ANTIMICROBIAL, ANTIMICROBIAL PROTEIN              
*EXPDTA    NMR, 18 STRUCTURES                                                    
*AUTHOR    F.C.ALMEIDA, L.W.TINOCO, F.GOMES-NETO, A.P.VALENTE                    
*REVDAT   1   16-OCT-07 2JQ2    0                                                


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assign (resid 7 and name HD1) (resid 7 and name HA) 2.62 0.82 1.40
assign (resid 9 and name HN) (resid 7 and name HA) 2.62 0.82 0.78
assign (resid 8 and name HE3) (resid 8 and name HZ3) 2.59 0.79 0.81
assign (resid 4 and name HB2) (resid 4 and name HG#) 2.56 0.76 0.84
assign (resid 8 and name HZ2) (resid 8 and name HH2) 2.56 0.76 0.84
assign (resid 8 and name HD1) (resid 8 and name HE1) 2.55 0.75 0.85
assign (resid 7 and name HZ3) (resid 7 and name HE3) 2.53 0.73 0.87
assign (resid 7 and name HD1) (resid 7 and name HE1) 2.53 0.73 0.87
assign (resid 4 and name HG#) (resid 4 and name HB1) 2.53 0.73 0.87
assign (resid 8 and name HZ3) (resid 8 and name HE3) 2.51 0.71 0.89
assign (resid 7 and name HE3) (resid 7 and name HZ3) 2.51 0.71 0.89
assign (resid 4 and name HB1) (resid 4 and name HG#) 2.46 0.66 0.94
assign (resid 8 and name HH2) (resid 8 and name HZ2) 2.44 0.64 0.96
assign (resid 7 and name HZ2) (resid 7 and name HH2) 2.44 0.64 0.96
assign (resid 2 and name HB2) (resid 2 and name HG2) 2.41 0.61 0.99
assign (resid 11 and name HN) (resid 11 and name HA) 2.40 0.60 1.00
assign (resid 5 and name HB#) (resid 5 and name HG#) 2.38 0.58 1.02
assign (resid 2 and name HG2) (resid 2 and name HB2) 2.37 0.57 1.03
assign (resid 5 and name HG#) (resid 5 and name HB#) 2.37 0.57 1.03
assign (resid 10 and name HB#) (resid 10 and name HG2) 2.37 0.57 1.03
assign (resid 7 and name HH2) (resid 7 and name HZ2) 2.36 0.56 1.04
assign (resid 9 and name HG2) (resid 9 and name HB#) 2.34 0.54 1.06
assign (resid 10 and name HG2) (resid 10 and name HB#) 2.34 0.54 1.06
assign (resid 8 and name HH2) (resid 8 and name HZ3) 2.34 0.54 1.06
assign (resid 9 and name HB#) (resid 9 and name HG2) 2.32 0.52 1.08
assign (resid 6 and name HD#) (resid 6 and name HE#) 2.02 0.22 1.38
assign (resid 5 and name HE21) (resid 5 and name HE22) 1.96 0.16 1.44
assign (resid 6 and name HE#) (resid 6 and name HD#) 1.95 0.15 1.45
assign (resid 5 and name HE22) (resid 5 and name HE21) 1.95 0.15 1.45

  !!    l3
 assign (resid  2  and name c ) (resid  3  and name n ) 
        (resid  3  and name ca) (resid  3  and name c )   1.0  -60.0 30.0 2
  !!    k4
 assign (resid  3  and name c ) (resid  4  and name n ) 
        (resid  4  and name ca) (resid  4  and name c )   1.0  -60.0 30.0 2
  !!    q5
 assign (resid  4  and name c ) (resid  5  and name n ) 
        (resid  5  and name ca) (resid  5  and name c )   1.0  -60.0 30.0 2
  !!    y6
 assign (resid  5  and name c ) (resid  6  and name n ) 
        (resid  6  and name ca) (resid  6  and name c )   1.0  -60.0 30.0 2
  !!    w7
 assign (resid  6  and name c ) (resid  7  and name n ) 
        (resid  7  and name ca) (resid  7  and name c )   1.0  -60.0 30.0 2
 




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   HIS   1           HA       HIS   1 -10.374   0.108  -3.642
    2    HD1  HIS   1           1HD      HIS   1 -13.901   0.389  -3.280
    3    HD2  HIS   1           2HD      HIS   1 -11.613   3.850  -3.503
    4    HE1  HIS   1           1HE      HIS   1 -15.170   1.936  -4.803
    5    HE2  HIS   1           2HE      HIS   1 -13.750   4.012  -4.951
    6    H1   HIS   1           1HT      HIS   1 -12.716  -0.932  -2.247
    7    H2   HIS   1           2HT      HIS   1 -11.629  -2.000  -3.037
    8    H3   HIS   1           3HT      HIS   1 -12.420  -0.763  -3.927
    9    HB2  HIS   1           2HB      HIS   1 -11.985   0.974  -1.228
   10    HB3  HIS   1           1HB      HIS   1 -10.652   1.877  -1.942
   11    HA   PRO   2           HA       PRO   2  -8.654  -2.983  -0.525
   12    HB2  PRO   2           2HB      PRO   2  -6.460  -3.496  -2.119
   13    HB3  PRO   2           1HB      PRO   2  -7.960  -4.427  -2.163
   14    HG2  PRO   2           2HG      PRO   2  -7.108  -2.133  -3.900
   15    HG3  PRO   2           1HG      PRO   2  -7.808  -3.695  -4.382
   16    HD2  PRO   2           2HD      PRO   2  -9.380  -1.580  -4.267
   17    HD3  PRO   2           1HD      PRO   2  -9.927  -3.119  -3.568
   18    H    LEU   3           H        LEU   3  -5.992  -3.083  -0.359
   19    HA   LEU   3           HA       LEU   3  -5.337  -0.449   0.669
   20    HG   LEU   3           HG       LEU   3  -4.717  -4.132   0.688
   21    HB2  LEU   3           2HB      LEU   3  -3.417  -1.618   1.742
   22    HB3  LEU   3           1HB      LEU   3  -4.995  -2.205   2.225
   23   HD11  LEU   3          1HD1      LEU   3  -2.316  -4.569  -0.040
   24   HD12  LEU   3          2HD1      LEU   3  -2.051  -2.844   0.210
   25   HD13  LEU   3          3HD1      LEU   3  -3.242  -3.391  -0.970
   26   HD21  LEU   3          3HD2      LEU   3  -4.214  -4.614   2.912
   27   HD22  LEU   3          1HD2      LEU   3  -2.744  -3.639   2.890
   28   HD23  LEU   3          2HD2      LEU   3  -2.796  -5.176   2.027
   29    H    LYS   4           H        LYS   4  -5.256  -1.014  -2.249
   30    HA   LYS   4           HA       LYS   4  -2.701  -1.346  -3.224
   31    HB2  LYS   4           2HB      LYS   4  -3.529  -0.357  -5.223
   32    HB3  LYS   4           1HB      LYS   4  -4.793  -1.309  -4.500
   33    HG2  LYS   4           2HG      LYS   4  -5.954   0.610  -3.748
   34    HG3  LYS   4           1HG      LYS   4  -4.596   1.660  -4.153
   35    HD2  LYS   4           2HD      LYS   4  -6.381   1.840  -5.816
   36    HD3  LYS   4           1HD      LYS   4  -4.911   1.173  -6.525
   37    HE2  LYS   4           2HE      LYS   4  -6.814  -0.054  -7.337
   38    HE3  LYS   4           1HE      LYS   4  -5.863  -1.092  -6.278
   39    HZ1  LYS   4           3HZ      LYS   4  -7.491  -0.338  -4.479
   40    HZ2  LYS   4           1HZ      LYS   4  -8.042  -1.454  -5.625
   41    HZ3  LYS   4           2HZ      LYS   4  -8.476   0.175  -5.754
   42    H    GLN   5           H        GLN   5  -4.205   1.391  -1.759
   43    HA   GLN   5           HA       GLN   5  -2.086   3.198  -2.572
   44    HB2  GLN   5           2HB      GLN   5  -4.381   4.047  -2.389
   45    HB3  GLN   5           1HB      GLN   5  -4.411   3.620  -0.683
   46    HG2  GLN   5           2HG      GLN   5  -4.026   5.982  -0.939
   47    HG3  GLN   5           1HG      GLN   5  -2.595   5.204  -0.265
   48   HE21  GLN   5          1HE2      GLN   5  -3.591   7.457  -2.394
   49   HE22  GLN   5          2HE2      GLN   5  -2.239   7.450  -3.496
   50    H    TYR   6           H        TYR   6  -2.239   0.761  -0.414
   51    HA   TYR   6           HA       TYR   6  -0.915   2.179   1.775
   52    HD1  TYR   6           1HD      TYR   6  -3.838   0.997   0.854
   53    HD2  TYR   6           2HD      TYR   6  -2.206   0.278   4.715
   54    HE1  TYR   6           1HE      TYR   6  -5.966   1.684   1.872
   55    HE2  TYR   6           2HE      TYR   6  -4.331   0.961   5.745
   56    HH   TYR   6           HH       TYR   6  -6.666   1.172   5.187
   57    HB2  TYR   6           2HB      TYR   6  -1.745  -0.704   1.479
   58    HB3  TYR   6           1HB      TYR   6  -0.877  -0.081   2.877
   59    H    TRP   7           H        TRP   7   0.045   0.695  -1.071
   60    HA   TRP   7           HA       TRP   7   2.483  -0.439  -0.211
   61    HD1  TRP   7           HD       TRP   7  -0.941  -0.651  -2.059
   62    HE1  TRP   7           1HE      TRP   7  -1.718  -3.105  -2.209
   63    HE3  TRP   7           3HE      TRP   7   3.557  -2.794  -2.543
   64    HZ2  TRP   7           2HZ      TRP   7  -0.504  -5.669  -2.486
   65    HZ3  TRP   7           3HZ      TRP   7   3.744  -5.263  -2.742
   66    HH2  TRP   7           HH       TRP   7   1.738  -6.667  -2.707
   67    HB2  TRP   7           2HB      TRP   7   1.564   0.421  -2.957
   68    HB3  TRP   7           1HB      TRP   7   2.924  -0.645  -2.608
   69    H    TRP   8           H        TRP   8   2.566   1.836   0.994
   70    HA   TRP   8           HA       TRP   8   3.631   4.049  -0.386
   71    HD1  TRP   8           HD       TRP   8   3.733   6.554   0.445
   72    HE1  TRP   8           1HE      TRP   8   5.404   8.206   1.499
   73    HE3  TRP   8           3HE      TRP   8   5.533   3.598   4.206
   74    HZ2  TRP   8           2HZ      TRP   8   7.246   8.245   3.641
   75    HZ3  TRP   8           3HZ      TRP   8   7.248   4.514   5.710
   76    HH2  TRP   8           HH       TRP   8   8.087   6.786   5.431
   77    HB2  TRP   8           2HB      TRP   8   2.583   4.217   1.814
   78    HB3  TRP   8           1HB      TRP   8   3.875   3.256   2.519
   79    H    ARG   9           H        ARG   9   5.054   1.124   0.791
   80    HA   ARG   9           HA       ARG   9   7.256   0.870  -0.525
   81    HE   ARG   9           HE       ARG   9   8.220   5.112   0.240
   82    HB2  ARG   9           2HB      ARG   9   9.152   1.995   0.601
   83    HB3  ARG   9           1HB      ARG   9   8.063   3.106  -0.207
   84    HG2  ARG   9           2HG      ARG   9   7.033   3.644   1.957
   85    HG3  ARG   9           1HG      ARG   9   8.156   2.541   2.752
   86    HD2  ARG   9           2HD      ARG   9   8.916   4.849   2.935
   87    HD3  ARG   9           1HD      ARG   9  10.038   3.885   1.978
   88   HH11  ARG   9          1HH1      ARG   9  10.825   5.977   2.398
   89   HH12  ARG   9          2HH1      ARG   9  11.269   7.388   1.498
   90   HH21  ARG   9          1HH2      ARG   9   8.804   6.968  -0.945
   91   HH22  ARG   9          2HH2      ARG   9  10.119   7.953  -0.399
   92    HA   PRO  10           HA       PRO  10   8.111  -1.113   3.722
   93    HB2  PRO  10           2HB      PRO  10   6.343  -0.862   5.696
   94    HB3  PRO  10           1HB      PRO  10   7.497   0.432   5.346
   95    HG2  PRO  10           2HG      PRO  10   4.612   0.212   4.599
   96    HG3  PRO  10           1HG      PRO  10   5.509   1.624   5.188
   97    HD2  PRO  10           2HD      PRO  10   4.927   1.103   2.537
   98    HD3  PRO  10           1HD      PRO  10   6.232   2.160   3.085
   99    H    SER  11           H        SER  11   4.988  -1.118   2.242
  100    HA   SER  11           HA       SER  11   3.870  -3.442   3.309
  101    HG   SER  11           HG       SER  11   4.190  -2.958  -0.250
  102    HB2  SER  11           2HB      SER  11   2.554  -3.555   1.223
  103    HB3  SER  11           1HB      SER  11   2.608  -1.914   1.866
  104    H    ILE  12           H        ILE  12   6.620  -3.048   1.322
  105    HA   ILE  12           HA       ILE  12   6.671  -5.366  -0.202
  106    HB   ILE  12           HB       ILE  12   9.018  -4.023   1.150
  107   HG12  ILE  12          2HG1      ILE  12   7.819  -3.615  -1.598
  108   HG13  ILE  12          1HG1      ILE  12   7.713  -2.485  -0.252
  109   HG21  ILE  12          1HG2      ILE  12  10.111  -5.833   0.395
  110   HG22  ILE  12          2HG2      ILE  12   9.964  -5.056  -1.182
  111   HG23  ILE  12          3HG2      ILE  12   8.803  -6.291  -0.695
  112   HD11  ILE  12          3HD1      ILE  12  10.292  -2.523  -0.327
  113   HD12  ILE  12          1HD1      ILE  12   9.410  -1.606  -1.546
  114   HD13  ILE  12          2HD1      ILE  12  10.070  -3.193  -1.943
  Start of MODEL    2
    1    HA   HIS   1           HA       HIS   1 -10.667  -0.032  -4.247
    2    HD1  HIS   1           1HD      HIS   1 -10.674   3.290  -5.445
    3    HD2  HIS   1           2HD      HIS   1  -8.761   0.358  -7.682
    4    HE1  HIS   1           1HE      HIS   1 -11.323   3.737  -7.832
    5    HE2  HIS   1           2HE      HIS   1 -10.216   1.902  -9.159
    6    H1   HIS   1           1HT      HIS   1 -10.289   2.759  -3.508
    7    H2   HIS   1           2HT      HIS   1 -11.339   1.768  -2.581
    8    H3   HIS   1           3HT      HIS   1 -11.621   1.983  -4.260
    9    HB2  HIS   1           2HB      HIS   1  -8.372   1.939  -4.379
   10    HB3  HIS   1           1HB      HIS   1  -8.340   0.301  -5.024
   11    HA   PRO   2           HA       PRO   2  -9.098  -1.930  -0.609
   12    HB2  PRO   2           2HB      PRO   2  -6.935  -3.347  -1.657
   13    HB3  PRO   2           1HB      PRO   2  -8.612  -3.901  -1.636
   14    HG2  PRO   2           2HG      PRO   2  -7.094  -2.530  -3.826
   15    HG3  PRO   2           1HG      PRO   2  -8.207  -3.911  -3.928
   16    HD2  PRO   2           2HD      PRO   2  -9.063  -1.516  -4.624
   17    HD3  PRO   2           1HD      PRO   2 -10.085  -2.558  -3.612
   18    H    LEU   3           H        LEU   3  -6.586  -2.666   0.058
   19    HA   LEU   3           HA       LEU   3  -5.352  -0.105   0.644
   20    HG   LEU   3           HG       LEU   3  -5.833  -3.688   1.527
   21    HB2  LEU   3           2HB      LEU   3  -3.926  -1.445   2.205
   22    HB3  LEU   3           1HB      LEU   3  -5.644  -1.437   2.566
   23   HD11  LEU   3          1HD1      LEU   3  -2.860  -3.362   1.242
   24   HD12  LEU   3          2HD1      LEU   3  -4.043  -3.763  -0.004
   25   HD13  LEU   3          3HD1      LEU   3  -3.653  -4.937   1.254
   26   HD21  LEU   3          3HD2      LEU   3  -3.702  -4.005   3.551
   27   HD22  LEU   3          1HD2      LEU   3  -5.311  -4.725   3.468
   28   HD23  LEU   3          2HD2      LEU   3  -5.116  -3.061   4.020
   29    H    LYS   4           H        LYS   4  -5.084  -1.129  -2.041
   30    HA   LYS   4           HA       LYS   4  -2.436  -2.175  -2.293
   31    HB2  LYS   4           2HB      LYS   4  -4.249  -0.976  -4.387
   32    HB3  LYS   4           1HB      LYS   4  -2.775  -1.869  -4.714
   33    HG2  LYS   4           2HG      LYS   4  -5.249  -2.947  -3.394
   34    HG3  LYS   4           1HG      LYS   4  -4.744  -3.250  -5.055
   35    HD2  LYS   4           2HD      LYS   4  -3.147  -4.020  -2.614
   36    HD3  LYS   4           1HD      LYS   4  -4.233  -5.109  -3.472
   37    HE2  LYS   4           2HE      LYS   4  -2.011  -5.550  -4.221
   38    HE3  LYS   4           1HE      LYS   4  -2.866  -4.735  -5.527
   39    HZ1  LYS   4           3HZ      LYS   4  -1.462  -2.941  -3.771
   40    HZ2  LYS   4           1HZ      LYS   4  -1.460  -3.022  -5.461
   41    HZ3  LYS   4           2HZ      LYS   4  -0.445  -4.032  -4.563
   42    H    GLN   5           H        GLN   5  -3.877   0.928  -2.167
   43    HA   GLN   5           HA       GLN   5  -1.496   2.259  -3.175
   44    HB2  GLN   5           2HB      GLN   5  -2.795   4.337  -2.715
   45    HB3  GLN   5           1HB      GLN   5  -3.585   3.234  -3.832
   46    HG2  GLN   5           2HG      GLN   5  -5.033   2.440  -2.042
   47    HG3  GLN   5           1HG      GLN   5  -4.229   3.526  -0.906
   48   HE21  GLN   5          1HE2      GLN   5  -5.339   5.278  -0.490
   49   HE22  GLN   5          2HE2      GLN   5  -6.392   6.119  -1.597
   50    H    TYR   6           H        TYR   6  -2.090   0.723  -0.446
   51    HA   TYR   6           HA       TYR   6  -1.204   2.765   1.423
   52    HD1  TYR   6           2HD      TYR   6  -3.500   2.264   0.427
   53    HD2  TYR   6           1HD      TYR   6  -3.627   0.141   4.108
   54    HE1  TYR   6           2HE      TYR   6  -5.900   2.746   0.612
   55    HE2  TYR   6           1HE      TYR   6  -6.035   0.600   4.293
   56    HH   TYR   6           HH       TYR   6  -7.873   1.857   1.709
   57    HB2  TYR   6           2HB      TYR   6  -1.795  -0.164   1.898
   58    HB3  TYR   6           1HB      TYR   6  -1.467   1.031   3.143
   59    H    TRP   7           H        TRP   7   0.056   0.177  -0.441
   60    HA   TRP   7           HA       TRP   7   2.412  -0.290   1.034
   61    HD1  TRP   7           HD       TRP   7  -0.767  -1.365  -1.246
   62    HE1  TRP   7           1HE      TRP   7  -1.806  -3.561  -0.391
   63    HE3  TRP   7           3HE      TRP   7   3.427  -3.550   0.503
   64    HZ2  TRP   7           2HZ      TRP   7  -0.925  -5.933   0.898
   65    HZ3  TRP   7           3HZ      TRP   7   3.295  -5.787   1.554
   66    HH2  TRP   7           HH       TRP   7   1.151  -6.949   1.748
   67    HB2  TRP   7           2HB      TRP   7   1.921  -0.859  -1.890
   68    HB3  TRP   7           1HB      TRP   7   3.081  -1.655  -0.832
   69    H    TRP   8           H        TRP   8   2.435   2.229   1.068
   70    HA   TRP   8           HA       TRP   8   3.755   3.475  -1.152
   71    HD1  TRP   8           HD       TRP   8   3.753   5.853  -1.940
   72    HE1  TRP   8           1HE      TRP   8   5.044   8.074  -1.785
   73    HE3  TRP   8           3HE      TRP   8   4.339   6.099   3.133
   74    HZ2  TRP   8           2HZ      TRP   8   6.158   9.716   0.223
   75    HZ3  TRP   8           3HZ      TRP   8   5.525   8.029   4.092
   76    HH2  TRP   8           HH       TRP   8   6.415   9.799   2.666
   77    HB2  TRP   8           2HB      TRP   8   2.211   4.674   0.357
   78    HB3  TRP   8           1HB      TRP   8   3.351   4.460   1.675
   79    H    ARG   9           H        ARG   9   4.713   2.189   1.997
   80    HA   ARG   9           HA       ARG   9   7.520   2.651   1.225
   81    HE   ARG   9           HE       ARG   9   7.346   4.276   0.577
   82    HB2  ARG   9           2HB      ARG   9   6.308   2.754   3.977
   83    HB3  ARG   9           1HB      ARG   9   8.031   2.837   3.648
   84    HG2  ARG   9           2HG      ARG   9   6.033   4.805   2.563
   85    HG3  ARG   9           1HG      ARG   9   6.912   5.031   4.075
   86    HD2  ARG   9           2HD      ARG   9   8.079   6.238   2.390
   87    HD3  ARG   9           1HD      ARG   9   9.037   4.811   2.765
   88   HH11  ARG   9          1HH1      ARG   9  10.202   6.095   1.406
   89   HH12  ARG   9          2HH1      ARG   9  10.840   6.062  -0.203
   90   HH21  ARG   9          1HH2      ARG   9   8.181   4.231  -1.538
   91   HH22  ARG   9          2HH2      ARG   9   9.693   5.006  -1.875
   92    HA   PRO  10           HA       PRO  10   7.204  -1.730   3.161
   93    HB2  PRO  10           2HB      PRO  10   5.397  -3.314   2.012
   94    HB3  PRO  10           1HB      PRO  10   4.934  -2.221   3.325
   95    HG2  PRO  10           2HG      PRO  10   4.622  -1.856   0.364
   96    HG3  PRO  10           1HG      PRO  10   3.435  -1.583   1.653
   97    HD2  PRO  10           2HD      PRO  10   4.918   0.423   0.535
   98    HD3  PRO  10           1HD      PRO  10   4.318   0.464   2.206
   99    H    SER  11           H        SER  11   6.946  -0.719  -0.131
  100    HA   SER  11           HA       SER  11   7.823  -2.984  -1.492
  101    HG   SER  11           HG       SER  11   8.010   0.563  -1.299
  102    HB2  SER  11           2HB      SER  11   8.574  -1.419  -3.250
  103    HB3  SER  11           1HB      SER  11   6.968  -1.007  -2.650
  104    H    ILE  12           H        ILE  12   9.516  -0.992   0.716
  105    HA   ILE  12           HA       ILE  12  11.962  -2.497   0.187
  106    HB   ILE  12           HB       ILE  12  12.265  -0.443  -1.096
  107   HG12  ILE  12          2HG1      ILE  12  13.898  -0.472   1.453
  108   HG13  ILE  12          1HG1      ILE  12  14.225  -1.428   0.011
  109   HG21  ILE  12          1HG2      ILE  12  11.833   1.653  -0.355
  110   HG22  ILE  12          2HG2      ILE  12  12.294   1.281   1.306
  111   HG23  ILE  12          3HG2      ILE  12  10.714   0.787   0.697
  112   HD11  ILE  12          3HD1      ILE  12  14.032   1.449  -0.474
  113   HD12  ILE  12          1HD1      ILE  12  15.227   0.275  -1.028
  114   HD13  ILE  12          2HD1      ILE  12  15.355   0.968   0.589
  Start of MODEL    3
    1    HA   HIS   1           HA       HIS   1 -10.808  -0.184  -3.624
    2    HD1  HIS   1           1HD      HIS   1  -8.193   1.125  -0.820
    3    HD2  HIS   1           2HD      HIS   1  -9.820   4.451  -2.704
    4    HE1  HIS   1           1HE      HIS   1  -7.726   3.063   0.714
    5    HE2  HIS   1           2HE      HIS   1  -8.643   5.077  -0.488
    6    H1   HIS   1           1HT      HIS   1 -12.453   0.314  -2.049
    7    H2   HIS   1           2HT      HIS   1 -12.109   1.733  -2.952
    8    H3   HIS   1           3HT      HIS   1 -11.498   1.559  -1.357
    9    HB2  HIS   1           2HB      HIS   1  -8.679   1.068  -3.640
   10    HB3  HIS   1           1HB      HIS   1 -10.049   2.110  -4.009
   11    HA   PRO   2           HA       PRO   2  -8.951  -2.662  -0.465
   12    HB2  PRO   2           2HB      PRO   2  -7.133  -4.037  -1.842
   13    HB3  PRO   2           1HB      PRO   2  -8.829  -4.120  -2.309
   14    HG2  PRO   2           2HG      PRO   2  -6.657  -2.396  -3.464
   15    HG3  PRO   2           1HG      PRO   2  -7.789  -3.472  -4.311
   16    HD2  PRO   2           2HD      PRO   2  -8.223  -0.799  -4.037
   17    HD3  PRO   2           1HD      PRO   2  -9.528  -1.994  -4.124
   18    H    LEU   3           H        LEU   3  -6.020  -3.337  -0.723
   19    HA   LEU   3           HA       LEU   3  -5.048  -1.021   0.705
   20    HG   LEU   3           HG       LEU   3  -4.747  -4.665  -0.036
   21    HB2  LEU   3           2HB      LEU   3  -3.088  -2.482   1.234
   22    HB3  LEU   3           1HB      LEU   3  -4.633  -3.048   1.838
   23   HD11  LEU   3          1HD1      LEU   3  -3.470  -3.681  -1.744
   24   HD12  LEU   3          2HD1      LEU   3  -2.553  -5.095  -1.228
   25   HD13  LEU   3          3HD1      LEU   3  -2.066  -3.487  -0.695
   26   HD21  LEU   3          3HD2      LEU   3  -2.531  -5.904   0.775
   27   HD22  LEU   3          1HD2      LEU   3  -3.975  -5.779   1.779
   28   HD23  LEU   3          2HD2      LEU   3  -2.630  -4.666   2.029
   29    H    LYS   4           H        LYS   4  -5.381  -0.879  -2.183
   30    HA   LYS   4           HA       LYS   4  -2.876  -1.067  -3.481
   31    HB2  LYS   4           2HB      LYS   4  -4.896  -1.067  -4.789
   32    HB3  LYS   4           1HB      LYS   4  -5.369   0.496  -4.135
   33    HG2  LYS   4           2HG      LYS   4  -4.544   0.736  -6.398
   34    HG3  LYS   4           1HG      LYS   4  -3.464   1.545  -5.255
   35    HD2  LYS   4           2HD      LYS   4  -2.193   0.306  -6.930
   36    HD3  LYS   4           1HD      LYS   4  -1.953  -0.381  -5.322
   37    HE2  LYS   4           2HE      LYS   4  -3.592  -2.128  -5.828
   38    HE3  LYS   4           1HE      LYS   4  -3.835  -1.437  -7.432
   39    HZ1  LYS   4           3HZ      LYS   4  -1.638  -3.045  -6.419
   40    HZ2  LYS   4           1HZ      LYS   4  -1.204  -1.774  -7.448
   41    HZ3  LYS   4           2HZ      LYS   4  -2.289  -2.959  -7.977
   42    H    GLN   5           H        GLN   5  -4.286   1.323  -1.445
   43    HA   GLN   5           HA       GLN   5  -2.444   3.380  -2.340
   44    HB2  GLN   5           2HB      GLN   5  -4.773   3.967  -1.828
   45    HB3  GLN   5           1HB      GLN   5  -4.526   3.461  -0.161
   46    HG2  GLN   5           2HG      GLN   5  -2.874   5.199   0.147
   47    HG3  GLN   5           1HG      GLN   5  -3.050   5.682  -1.541
   48   HE21  GLN   5          1HE2      GLN   5  -4.232   7.418  -1.810
   49   HE22  GLN   5          2HE2      GLN   5  -5.576   7.914  -0.816
   50    H    TYR   6           H        TYR   6  -2.289   0.859  -0.179
   51    HA   TYR   6           HA       TYR   6  -0.710   2.269   1.802
   52    HD1  TYR   6           1HD      TYR   6  -1.631   1.695   4.491
   53    HD2  TYR   6           2HD      TYR   6  -3.943   0.043   1.339
   54    HE1  TYR   6           1HE      TYR   6  -3.675   2.563   5.549
   55    HE2  TYR   6           2HE      TYR   6  -6.003   0.880   2.395
   56    HH   TYR   6           HH       TYR   6  -6.663   2.668   3.968
   57    HB2  TYR   6           2HB      TYR   6  -1.646  -0.582   1.601
   58    HB3  TYR   6           1HB      TYR   6  -0.681   0.046   2.939
   59    H    TRP   7           H        TRP   7   0.002   0.721  -1.116
   60    HA   TRP   7           HA       TRP   7   2.460  -0.478  -0.419
   61    HD1  TRP   7           HD       TRP   7  -1.011  -0.312  -2.478
   62    HE1  TRP   7           1HE      TRP   7  -2.026  -2.674  -2.665
   63    HE3  TRP   7           3HE      TRP   7   3.274  -2.942  -2.565
   64    HZ2  TRP   7           2HZ      TRP   7  -1.075  -5.353  -2.805
   65    HZ3  TRP   7           3HZ      TRP   7   3.198  -5.413  -2.714
   66    HH2  TRP   7           HH       TRP   7   1.055  -6.590  -2.826
   67    HB2  TRP   7           2HB      TRP   7   1.569   0.526  -3.123
   68    HB3  TRP   7           1HB      TRP   7   2.829  -0.663  -2.803
   69    H    TRP   8           H        TRP   8   2.632   1.802   0.840
   70    HA   TRP   8           HA       TRP   8   3.757   3.978  -0.559
   71    HD1  TRP   8           HD       TRP   8   3.843   6.453   0.201
   72    HE1  TRP   8           1HE      TRP   8   5.465   8.162   1.238
   73    HE3  TRP   8           3HE      TRP   8   5.610   3.639   4.077
   74    HZ2  TRP   8           2HZ      TRP   8   7.263   8.294   3.417
   75    HZ3  TRP   8           3HZ      TRP   8   7.280   4.623   5.590
   76    HH2  TRP   8           HH       TRP   8   8.089   6.898   5.265
   77    HB2  TRP   8           2HB      TRP   8   2.709   4.133   1.669
   78    HB3  TRP   8           1HB      TRP   8   4.037   3.204   2.350
   79    H    ARG   9           H        ARG   9   5.101   1.111   0.924
   80    HA   ARG   9           HA       ARG   9   7.216   0.576  -0.469
   81    HE   ARG   9           HE       ARG   9  10.307   4.622  -0.289
   82    HB2  ARG   9           2HB      ARG   9   9.219   1.713   0.499
   83    HB3  ARG   9           1HB      ARG   9   8.193   2.732  -0.492
   84    HG2  ARG   9           2HG      ARG   9   7.237   3.737   1.505
   85    HG3  ARG   9           1HG      ARG   9   8.211   2.677   2.520
   86    HD2  ARG   9           2HD      ARG   9   9.148   4.973   2.243
   87    HD3  ARG   9           1HD      ARG   9  10.238   3.672   1.770
   88   HH11  ARG   9          1HH1      ARG   9   7.261   5.492   1.157
   89   HH12  ARG   9          2HH1      ARG   9   6.735   6.422  -0.201
   90   HH21  ARG   9          1HH2      ARG   9   9.625   5.849  -2.077
   91   HH22  ARG   9          2HH2      ARG   9   8.077   6.627  -2.039
   92    HA   PRO  10           HA       PRO  10   8.145  -1.009   3.900
   93    HB2  PRO  10           2HB      PRO  10   6.534  -0.393   5.933
   94    HB3  PRO  10           1HB      PRO  10   7.777   0.737   5.383
   95    HG2  PRO  10           2HG      PRO  10   4.839   0.765   4.894
   96    HG3  PRO  10           1HG      PRO  10   5.945   2.121   5.166
   97    HD2  PRO  10           2HD      PRO  10   5.014   1.219   2.686
   98    HD3  PRO  10           1HD      PRO  10   6.384   2.305   2.936
   99    H    SER  11           H        SER  11   4.912  -0.867   2.675
  100    HA   SER  11           HA       SER  11   3.943  -3.195   4.026
  101    HG   SER  11           HG       SER  11   1.273  -3.303   3.216
  102    HB2  SER  11           2HB      SER  11   2.391  -1.484   3.213
  103    HB3  SER  11           1HB      SER  11   2.910  -1.784   1.554
  104    H    ILE  12           H        ILE  12   6.253  -2.835   1.688
  105    HA   ILE  12           HA       ILE  12   5.882  -5.603   0.793
  106    HB   ILE  12           HB       ILE  12   5.038  -4.221  -1.029
  107   HG12  ILE  12          2HG1      ILE  12   6.518  -5.026  -2.830
  108   HG13  ILE  12          1HG1      ILE  12   7.772  -5.372  -1.642
  109   HG21  ILE  12          1HG2      ILE  12   6.286  -2.175  -0.465
  110   HG22  ILE  12          2HG2      ILE  12   6.423  -2.601  -2.171
  111   HG23  ILE  12          3HG2      ILE  12   7.761  -2.929  -1.071
  112   HD11  ILE  12          3HD1      ILE  12   6.623  -7.396  -2.277
  113   HD12  ILE  12          1HD1      ILE  12   5.074  -6.690  -1.822
  114   HD13  ILE  12          2HD1      ILE  12   6.290  -7.017  -0.587
  Start of MODEL    4
    1    HA   HIS   1           HA       HIS   1 -10.778  -0.079  -3.518
    2    HD1  HIS   1           1HD      HIS   1 -12.670   2.123  -0.741
    3    HD2  HIS   1           2HD      HIS   1  -8.693   3.330  -0.773
    4    HE1  HIS   1           1HE      HIS   1 -12.324   3.358   1.423
    5    HE2  HIS   1           2HE      HIS   1  -9.892   4.018   1.412
    6    H1   HIS   1           1HT      HIS   1 -12.835   0.868  -2.464
    7    H2   HIS   1           2HT      HIS   1 -12.229   0.216  -0.996
    8    H3   HIS   1           3HT      HIS   1 -12.552  -0.817  -2.328
    9    HB2  HIS   1           2HB      HIS   1  -9.549   1.975  -2.933
   10    HB3  HIS   1           1HB      HIS   1 -11.254   2.306  -3.226
   11    HA   PRO   2           HA       PRO   2  -8.706  -2.787  -0.528
   12    HB2  PRO   2           2HB      PRO   2  -6.563  -3.250  -2.239
   13    HB3  PRO   2           1HB      PRO   2  -8.053  -4.199  -2.192
   14    HG2  PRO   2           2HG      PRO   2  -7.325  -1.908  -3.986
   15    HG3  PRO   2           1HG      PRO   2  -8.102  -3.452  -4.402
   16    HD2  PRO   2           2HD      PRO   2  -9.594  -1.298  -4.175
   17    HD3  PRO   2           1HD      PRO   2 -10.128  -2.815  -3.417
   18    H    LEU   3           H        LEU   3  -6.125  -3.015  -0.287
   19    HA   LEU   3           HA       LEU   3  -5.309  -0.409   0.715
   20    HG   LEU   3           HG       LEU   3  -4.915  -4.120   0.812
   21    HB2  LEU   3           2HB      LEU   3  -3.505  -1.670   1.872
   22    HB3  LEU   3           1HB      LEU   3  -5.132  -2.154   2.312
   23   HD11  LEU   3          1HD1      LEU   3  -2.493  -4.696   0.208
   24   HD12  LEU   3          2HD1      LEU   3  -2.182  -2.970   0.396
   25   HD13  LEU   3          3HD1      LEU   3  -3.348  -3.532  -0.804
   26   HD21  LEU   3          3HD2      LEU   3  -4.084  -3.852   3.342
   27   HD22  LEU   3          1HD2      LEU   3  -2.566  -4.337   2.586
   28   HD23  LEU   3          2HD2      LEU   3  -3.990  -5.370   2.450
   29    H    LYS   4           H        LYS   4  -5.173  -1.202  -2.193
   30    HA   LYS   4           HA       LYS   4  -2.566  -1.623  -3.039
   31    HB2  LYS   4           2HB      LYS   4  -4.685   0.063  -4.369
   32    HB3  LYS   4           1HB      LYS   4  -3.244  -0.576  -5.143
   33    HG2  LYS   4           2HG      LYS   4  -5.446  -2.225  -3.943
   34    HG3  LYS   4           1HG      LYS   4  -5.236  -1.891  -5.664
   35    HD2  LYS   4           2HD      LYS   4  -3.039  -2.998  -5.587
   36    HD3  LYS   4           1HD      LYS   4  -3.297  -3.365  -3.880
   37    HE2  LYS   4           2HE      LYS   4  -5.275  -4.680  -4.469
   38    HE3  LYS   4           1HE      LYS   4  -5.008  -4.315  -6.172
   39    HZ1  LYS   4           3HZ      LYS   4  -3.925  -6.272  -6.101
   40    HZ2  LYS   4           1HZ      LYS   4  -3.620  -6.189  -4.438
   41    HZ3  LYS   4           2HZ      LYS   4  -2.646  -5.330  -5.522
   42    H    GLN   5           H        GLN   5  -4.065   1.222  -1.797
   43    HA   GLN   5           HA       GLN   5  -1.912   2.964  -2.649
   44    HB2  GLN   5           2HB      GLN   5  -3.185   4.700  -1.393
   45    HB3  GLN   5           1HB      GLN   5  -4.106   3.915  -2.667
   46    HG2  GLN   5           2HG      GLN   5  -5.220   2.515  -1.020
   47    HG3  GLN   5           1HG      GLN   5  -4.274   3.263   0.268
   48   HE21  GLN   5          1HE2      GLN   5  -5.364   4.704   1.373
   49   HE22  GLN   5          2HE2      GLN   5  -6.607   5.755   0.752
   50    H    TYR   6           H        TYR   6  -2.027   0.684  -0.374
   51    HA   TYR   6           HA       TYR   6  -0.846   2.241   1.787
   52    HD1  TYR   6           1HD      TYR   6  -3.706   0.932   0.870
   53    HD2  TYR   6           2HD      TYR   6  -2.104   0.366   4.769
   54    HE1  TYR   6           1HE      TYR   6  -5.870   1.571   1.845
   55    HE2  TYR   6           2HE      TYR   6  -4.265   1.000   5.755
   56    HH   TYR   6           HH       TYR   6  -6.789   2.405   3.904
   57    HB2  TYR   6           2HB      TYR   6  -1.567  -0.679   1.566
   58    HB3  TYR   6           1HB      TYR   6  -0.738   0.007   2.959
   59    H    TRP   7           H        TRP   7   0.173   0.356  -0.878
   60    HA   TRP   7           HA       TRP   7   2.689  -0.460   0.086
   61    HD1  TRP   7           HD       TRP   7  -0.724  -0.985  -2.013
   62    HE1  TRP   7           1HE      TRP   7  -1.525  -3.424  -1.788
   63    HE3  TRP   7           3HE      TRP   7   3.776  -3.208  -1.589
   64    HZ2  TRP   7           2HZ      TRP   7  -0.350  -5.988  -1.449
   65    HZ3  TRP   7           3HZ      TRP   7   3.908  -5.664  -1.305
   66    HH2  TRP   7           HH       TRP   7   1.873  -7.022  -1.233
   67    HB2  TRP   7           2HB      TRP   7   1.811  -0.050  -2.772
   68    HB3  TRP   7           1HB      TRP   7   3.152  -1.045  -2.216
   69    H    TRP   8           H        TRP   8   2.657   1.963   0.943
   70    HA   TRP   8           HA       TRP   8   4.059   3.678  -0.943
   71    HD1  TRP   8           HD       TRP   8   2.954   6.978   2.275
   72    HE1  TRP   8           1HE      TRP   8   4.450   8.895   1.450
   73    HE3  TRP   8           3HE      TRP   8   5.341   4.565  -1.562
   74    HZ2  TRP   8           2HZ      TRP   8   6.374   9.335  -0.556
   75    HZ3  TRP   8           3HZ      TRP   8   6.988   5.816  -2.882
   76    HH2  TRP   8           HH       TRP   8   7.495   8.150  -2.390
   77    HB2  TRP   8           2HB      TRP   8   2.219   4.593   0.450
   78    HB3  TRP   8           1HB      TRP   8   3.183   4.265   1.882
   79    H    ARG   9           H        ARG   9   5.525   1.507  -0.375
   80    HA   ARG   9           HA       ARG   9   7.836   1.313  -0.046
   81    HE   ARG   9           HE       ARG   9   8.573   4.667  -2.726
   82    HB2  ARG   9           2HB      ARG   9   7.553   3.283   2.224
   83    HB3  ARG   9           1HB      ARG   9   9.049   2.613   1.602
   84    HG2  ARG   9           2HG      ARG   9   7.167   4.408   0.077
   85    HG3  ARG   9           1HG      ARG   9   8.692   4.890   0.817
   86    HD2  ARG   9           2HD      ARG   9   9.887   3.313  -0.638
   87    HD3  ARG   9           1HD      ARG   9   8.357   2.851  -1.384
   88   HH11  ARG   9          1HH1      ARG   9  10.403   5.279   0.185
   89   HH12  ARG   9          2HH1      ARG   9  10.920   6.850  -0.326
   90   HH21  ARG   9          1HH2      ARG   9   9.265   6.729  -3.399
   91   HH22  ARG   9          2HH2      ARG   9  10.280   7.671  -2.359
   92    HA   PRO  10           HA       PRO  10   6.578  -0.729   4.144
   93    HB2  PRO  10           2HB      PRO  10   4.245  -2.008   3.976
   94    HB3  PRO  10           1HB      PRO  10   4.308  -0.287   4.385
   95    HG2  PRO  10           2HG      PRO  10   3.789  -1.574   1.724
   96    HG3  PRO  10           1HG      PRO  10   2.870  -0.290   2.532
   97    HD2  PRO  10           2HD      PRO  10   4.708   0.222   0.616
   98    HD3  PRO  10           1HD      PRO  10   4.408   1.335   1.965
   99    H    SER  11           H        SER  11   6.311  -1.737   0.863
  100    HA   SER  11           HA       SER  11   6.629  -4.558   1.477
  101    HG   SER  11           HG       SER  11   5.872  -2.280  -1.519
  102    HB2  SER  11           2HB      SER  11   6.593  -4.860  -0.976
  103    HB3  SER  11           1HB      SER  11   5.204  -3.934  -0.409
  104    H    ILE  12           H        ILE  12   8.710  -2.518   2.173
  105    HA   ILE  12           HA       ILE  12  10.982  -2.422   2.275
  106    HB   ILE  12           HB       ILE  12  10.884  -5.071   0.820
  107   HG12  ILE  12          2HG1      ILE  12   9.672  -5.136   2.948
  108   HG13  ILE  12          1HG1      ILE  12  11.166  -6.061   3.058
  109   HG21  ILE  12          1HG2      ILE  12  13.115  -3.854   2.446
  110   HG22  ILE  12          2HG2      ILE  12  13.064  -3.925   0.683
  111   HG23  ILE  12          3HG2      ILE  12  13.139  -5.415   1.624
  112   HD11  ILE  12          3HD1      ILE  12  12.228  -4.257   4.260
  113   HD12  ILE  12          1HD1      ILE  12  10.729  -4.723   5.062
  114   HD13  ILE  12          2HD1      ILE  12  10.786  -3.258   4.082
  Start of MODEL    5
    1    HA   HIS   1           HA       HIS   1 -10.686  -0.201  -4.632
    2    HD1  HIS   1           1HD      HIS   1  -8.030   2.908  -6.832
    3    HD2  HIS   1           2HD      HIS   1 -11.816   1.277  -6.314
    4    HE1  HIS   1           1HE      HIS   1  -9.336   3.578  -8.873
    5    HE2  HIS   1           2HE      HIS   1 -11.644   2.635  -8.507
    6    H1   HIS   1           1HT      HIS   1 -11.443   2.250  -4.363
    7    H2   HIS   1           2HT      HIS   1 -11.141   1.921  -2.710
    8    H3   HIS   1           3HT      HIS   1 -12.255   0.956  -3.587
    9    HB2  HIS   1           2HB      HIS   1  -8.872   2.191  -4.228
   10    HB3  HIS   1           1HB      HIS   1  -8.396   0.704  -5.040
   11    HA   PRO   2           HA       PRO   2  -9.085  -2.278  -1.099
   12    HB2  PRO   2           2HB      PRO   2  -6.742  -3.333  -2.131
   13    HB3  PRO   2           1HB      PRO   2  -8.348  -4.034  -2.366
   14    HG2  PRO   2           2HG      PRO   2  -6.803  -2.193  -4.164
   15    HG3  PRO   2           1HG      PRO   2  -7.692  -3.676  -4.579
   16    HD2  PRO   2           2HD      PRO   2  -8.818  -1.334  -5.038
   17    HD3  PRO   2           1HD      PRO   2  -9.766  -2.641  -4.297
   18    H    LEU   3           H        LEU   3  -6.519  -2.764  -0.390
   19    HA   LEU   3           HA       LEU   3  -5.662  -0.137   0.517
   20    HG   LEU   3           HG       LEU   3  -5.509  -3.854   0.906
   21    HB2  LEU   3           2HB      LEU   3  -4.182  -1.395   2.053
   22    HB3  LEU   3           1HB      LEU   3  -5.882  -1.783   2.233
   23   HD11  LEU   3          1HD1      LEU   3  -2.688  -2.851   0.939
   24   HD12  LEU   3          2HD1      LEU   3  -3.637  -3.463  -0.416
   25   HD13  LEU   3          3HD1      LEU   3  -3.045  -4.574   0.819
   26   HD21  LEU   3          3HD2      LEU   3  -4.426  -5.086   2.686
   27   HD22  LEU   3          1HD2      LEU   3  -5.494  -3.858   3.364
   28   HD23  LEU   3          2HD2      LEU   3  -3.751  -3.594   3.340
   29    H    LYS   4           H        LYS   4  -5.154  -1.257  -2.258
   30    HA   LYS   4           HA       LYS   4  -2.496  -1.907  -2.643
   31    HB2  LYS   4           2HB      LYS   4  -4.142  -2.077  -4.418
   32    HB3  LYS   4           1HB      LYS   4  -4.347  -0.331  -4.434
   33    HG2  LYS   4           2HG      LYS   4  -2.037  -0.067  -5.186
   34    HG3  LYS   4           1HG      LYS   4  -1.838  -1.821  -5.178
   35    HD2  LYS   4           2HD      LYS   4  -3.791  -0.265  -6.873
   36    HD3  LYS   4           1HD      LYS   4  -2.284  -0.994  -7.434
   37    HE2  LYS   4           2HE      LYS   4  -3.136  -3.209  -6.824
   38    HE3  LYS   4           1HE      LYS   4  -4.646  -2.475  -6.279
   39    HZ1  LYS   4           3HZ      LYS   4  -5.308  -2.033  -8.410
   40    HZ2  LYS   4           1HZ      LYS   4  -4.447  -3.468  -8.662
   41    HZ3  LYS   4           2HZ      LYS   4  -3.732  -1.979  -9.026
   42    H    GLN   5           H        GLN   5  -3.883   1.132  -1.819
   43    HA   GLN   5           HA       GLN   5  -1.502   2.609  -2.596
   44    HB2  GLN   5           2HB      GLN   5  -2.739   4.579  -1.763
   45    HB3  GLN   5           1HB      GLN   5  -3.598   3.692  -3.015
   46    HG2  GLN   5           2HG      GLN   5  -4.990   2.634  -1.318
   47    HG3  GLN   5           1HG      GLN   5  -4.124   3.512  -0.057
   48   HE21  GLN   5          1HE2      GLN   5  -6.874   3.461  -1.791
   49   HE22  GLN   5          2HE2      GLN   5  -7.302   5.151  -1.736
   50    H    TYR   6           H        TYR   6  -2.200   0.703  -0.030
   51    HA   TYR   6           HA       TYR   6  -1.185   2.456   2.024
   52    HD1  TYR   6           1HD      TYR   6  -3.952   1.061   0.835
   53    HD2  TYR   6           2HD      TYR   6  -2.992   1.100   4.979
   54    HE1  TYR   6           1HE      TYR   6  -6.213   1.882   1.346
   55    HE2  TYR   6           2HE      TYR   6  -5.252   1.916   5.502
   56    HH   TYR   6           HH       TYR   6  -7.490   1.917   4.490
   57    HB2  TYR   6           2HB      TYR   6  -2.014  -0.440   2.082
   58    HB3  TYR   6           1HB      TYR   6  -1.386   0.416   3.487
   59    H    TRP   7           H        TRP   7   0.075   0.057  -0.112
   60    HA   TRP   7           HA       TRP   7   2.512  -0.151   1.438
   61    HD1  TRP   7           HD       TRP   7  -0.569  -1.597  -0.938
   62    HE1  TRP   7           1HE      TRP   7  -0.893  -1.927  -3.489
   63    HE3  TRP   7           3HE      TRP   7   4.280  -1.764  -2.296
   64    HZ2  TRP   7           2HZ      TRP   7   0.755  -2.196  -5.789
   65    HZ3  TRP   7           3HZ      TRP   7   4.879  -2.048  -4.681
   66    HH2  TRP   7           HH       TRP   7   3.141  -2.255  -6.391
   67    HB2  TRP   7           2HB      TRP   7   3.221  -1.817  -0.238
   68    HB3  TRP   7           1HB      TRP   7   1.711  -2.237   0.565
   69    H    TRP   8           H        TRP   8   2.487   2.266   0.937
   70    HA   TRP   8           HA       TRP   8   3.415   3.120  -1.604
   71    HD1  TRP   8           HD       TRP   8   3.202   5.442  -2.649
   72    HE1  TRP   8           1HE      TRP   8   4.608   7.550  -3.103
   73    HE3  TRP   8           3HE      TRP   8   5.215   6.096   2.005
   74    HZ2  TRP   8           2HZ      TRP   8   6.341   9.263  -1.677
   75    HZ3  TRP   8           3HZ      TRP   8   6.738   7.990   2.375
   76    HH2  TRP   8           HH       TRP   8   7.288   9.541   0.571
   77    HB2  TRP   8           2HB      TRP   8   2.303   4.586   0.044
   78    HB3  TRP   8           1HB      TRP   8   3.709   4.464   1.086
   79    H    ARG   9           H        ARG   9   5.020   2.297   1.448
   80    HA   ARG   9           HA       ARG   9   7.519   1.987  -0.047
   81    HE   ARG   9           HE       ARG   9   7.919   6.333  -1.251
   82    HB2  ARG   9           2HB      ARG   9   7.228   3.648   2.448
   83    HB3  ARG   9           1HB      ARG   9   8.768   3.178   1.741
   84    HG2  ARG   9           2HG      ARG   9   6.665   4.827   0.355
   85    HG3  ARG   9           1HG      ARG   9   8.105   5.469   1.146
   86    HD2  ARG   9           2HD      ARG   9   9.515   4.202  -0.395
   87    HD3  ARG   9           1HD      ARG   9   8.079   3.541  -1.174
   88   HH11  ARG   9          1HH1      ARG   9   9.834   3.749  -2.608
   89   HH12  ARG   9          2HH1      ARG   9  10.214   4.623  -4.053
   90   HH21  ARG   9          1HH2      ARG   9   8.421   7.483  -3.153
   91   HH22  ARG   9          2HH2      ARG   9   9.415   6.744  -4.362
   92    HA   PRO  10           HA       PRO  10   7.048  -0.847   3.885
   93    HB2  PRO  10           2HB      PRO  10   5.416  -2.856   3.133
   94    HB3  PRO  10           1HB      PRO  10   4.804  -1.391   3.916
   95    HG2  PRO  10           2HG      PRO  10   4.932  -2.036   0.981
   96    HG3  PRO  10           1HG      PRO  10   3.547  -1.463   1.932
   97    HD2  PRO  10           2HD      PRO  10   4.997   0.264   0.497
   98    HD3  PRO  10           1HD      PRO  10   4.407   0.694   2.117
   99    H    SER  11           H        SER  11   7.265  -1.370   0.460
  100    HA   SER  11           HA       SER  11   8.438  -3.926   0.462
  101    HG   SER  11           HG       SER  11   8.902  -4.114  -2.580
  102    HB2  SER  11           2HB      SER  11   7.526  -2.911  -1.570
  103    HB3  SER  11           1HB      SER  11   8.771  -1.665  -1.523
  104    H    ILE  12           H        ILE  12   9.648  -0.994   1.631
  105    HA   ILE  12           HA       ILE  12  12.311  -2.168   1.863
  106    HB   ILE  12           HB       ILE  12  13.415  -0.057   1.249
  107   HG12  ILE  12          2HG1      ILE  12  10.642   0.795   0.380
  108   HG13  ILE  12          1HG1      ILE  12  11.561   1.479   1.716
  109   HG21  ILE  12          1HG2      ILE  12  13.540  -0.607  -0.944
  110   HG22  ILE  12          2HG2      ILE  12  11.790  -0.634  -1.152
  111   HG23  ILE  12          3HG2      ILE  12  12.610  -2.002  -0.399
  112   HD11  ILE  12          3HD1      ILE  12  11.543   2.813  -0.411
  113   HD12  ILE  12          1HD1      ILE  12  12.525   1.535  -1.127
  114   HD13  ILE  12          2HD1      ILE  12  13.137   2.452   0.250
  Start of MODEL    6
    1    HA   HIS   1           HA       HIS   1 -10.469   0.922  -3.154
    2    HD1  HIS   1           1HD      HIS   1 -11.964   3.771   0.581
    3    HD2  HIS   1           2HD      HIS   1 -12.015  -0.368   0.220
    4    HE1  HIS   1           1HE      HIS   1 -12.975   2.922   2.720
    5    HE2  HIS   1           2HE      HIS   1 -12.899   0.412   2.521
    6    H1   HIS   1           1HT      HIS   1 -12.275  -0.743  -1.647
    7    H2   HIS   1           2HT      HIS   1 -12.144  -0.475  -3.337
    8    H3   HIS   1           3HT      HIS   1 -12.943   0.673  -2.344
    9    HB2  HIS   1           2HB      HIS   1 -10.218   2.503  -1.277
   10    HB3  HIS   1           1HB      HIS   1 -11.818   2.602  -2.003
   11    HA   PRO   2           HA       PRO   2  -8.821  -2.778  -0.772
   12    HB2  PRO   2           2HB      PRO   2  -6.760  -3.034  -2.626
   13    HB3  PRO   2           1HB      PRO   2  -8.285  -3.927  -2.667
   14    HG2  PRO   2           2HG      PRO   2  -7.530  -1.406  -4.104
   15    HG3  PRO   2           1HG      PRO   2  -8.387  -2.834  -4.725
   16    HD2  PRO   2           2HD      PRO   2  -9.778  -0.690  -4.091
   17    HD3  PRO   2           1HD      PRO   2 -10.347  -2.289  -3.563
   18    H    LEU   3           H        LEU   3  -6.201  -3.115  -0.746
   19    HA   LEU   3           HA       LEU   3  -5.276  -0.760   0.684
   20    HG   LEU   3           HG       LEU   3  -4.953  -4.419   0.039
   21    HB2  LEU   3           2HB      LEU   3  -3.421  -2.231   1.448
   22    HB3  LEU   3           1HB      LEU   3  -5.024  -2.779   1.902
   23   HD11  LEU   3          1HD1      LEU   3  -2.229  -3.235  -0.339
   24   HD12  LEU   3          2HD1      LEU   3  -3.485  -3.538  -1.539
   25   HD13  LEU   3          3HD1      LEU   3  -2.594  -4.888  -0.838
   26   HD21  LEU   3          3HD2      LEU   3  -3.946  -5.970   1.336
   27   HD22  LEU   3          1HD2      LEU   3  -3.944  -4.652   2.507
   28   HD23  LEU   3          2HD2      LEU   3  -2.493  -4.996   1.565
   29    H    LYS   4           H        LYS   4  -5.336  -0.953  -2.320
   30    HA   LYS   4           HA       LYS   4  -2.775  -1.204  -3.376
   31    HB2  LYS   4           2HB      LYS   4  -4.925   0.716  -4.262
   32    HB3  LYS   4           1HB      LYS   4  -3.562   0.171  -5.222
   33    HG2  LYS   4           2HG      LYS   4  -5.620  -1.723  -4.146
   34    HG3  LYS   4           1HG      LYS   4  -5.825  -0.886  -5.680
   35    HD2  LYS   4           2HD      LYS   4  -4.942  -3.083  -6.101
   36    HD3  LYS   4           1HD      LYS   4  -3.695  -1.895  -6.459
   37    HE2  LYS   4           2HE      LYS   4  -2.586  -2.369  -4.373
   38    HE3  LYS   4           1HE      LYS   4  -3.888  -3.450  -3.883
   39    HZ1  LYS   4           3HZ      LYS   4  -1.698  -3.890  -5.746
   40    HZ2  LYS   4           1HZ      LYS   4  -3.192  -4.555  -6.187
   41    HZ3  LYS   4           2HZ      LYS   4  -2.477  -4.980  -4.714
   42    H    GLN   5           H        GLN   5  -4.198   1.326  -1.531
   43    HA   GLN   5           HA       GLN   5  -2.104   3.226  -2.162
   44    HB2  GLN   5           2HB      GLN   5  -3.290   4.686  -0.546
   45    HB3  GLN   5           1HB      GLN   5  -4.320   4.107  -1.848
   46    HG2  GLN   5           2HG      GLN   5  -5.266   2.422  -0.368
   47    HG3  GLN   5           1HG      GLN   5  -4.219   2.976   0.939
   48   HE21  GLN   5          1HE2      GLN   5  -5.195   4.220   2.349
   49   HE22  GLN   5          2HE2      GLN   5  -6.511   5.314   2.018
   50    H    TYR   6           H        TYR   6  -2.078   0.542  -0.375
   51    HA   TYR   6           HA       TYR   6  -0.758   1.657   1.971
   52    HD1  TYR   6           1HD      TYR   6  -3.675   0.526   1.009
   53    HD2  TYR   6           2HD      TYR   6  -1.818  -0.792   4.600
   54    HE1  TYR   6           1HE      TYR   6  -5.769   0.932   2.232
   55    HE2  TYR   6           2HE      TYR   6  -3.906  -0.394   5.834
   56    HH   TYR   6           HH       TYR   6  -6.309  -0.222   5.382
   57    HB2  TYR   6           2HB      TYR   6  -1.498  -1.170   1.225
   58    HB3  TYR   6           1HB      TYR   6  -0.576  -0.766   2.669
   59    H    TRP   7           H        TRP   7   0.081   0.354  -1.078
   60    HA   TRP   7           HA       TRP   7   2.656  -0.594  -0.434
   61    HD1  TRP   7           HD       TRP   7  -0.876  -0.772  -2.401
   62    HE1  TRP   7           1HE      TRP   7  -1.656  -3.224  -2.558
   63    HE3  TRP   7           3HE      TRP   7   3.647  -2.981  -2.604
   64    HZ2  TRP   7           2HZ      TRP   7  -0.457  -5.794  -2.724
   65    HZ3  TRP   7           3HZ      TRP   7   3.800  -5.447  -2.750
   66    HH2  TRP   7           HH       TRP   7   1.778  -6.823  -2.803
   67    HB2  TRP   7           2HB      TRP   7   1.602   0.315  -3.112
   68    HB3  TRP   7           1HB      TRP   7   2.978  -0.745  -2.827
   69    H    TRP   8           H        TRP   8   2.637   1.673   0.838
   70    HA   TRP   8           HA       TRP   8   3.544   3.941  -0.604
   71    HD1  TRP   8           HD       TRP   8   3.419   6.442   0.131
   72    HE1  TRP   8           1HE      TRP   8   4.943   8.269   1.114
   73    HE3  TRP   8           3HE      TRP   8   5.457   3.801   4.002
   74    HZ2  TRP   8           2HZ      TRP   8   6.772   8.549   3.249
   75    HZ3  TRP   8           3HZ      TRP   8   7.086   4.917   5.466
   76    HH2  TRP   8           HH       TRP   8   7.730   7.242   5.095
   77    HB2  TRP   8           2HB      TRP   8   2.466   4.070   1.603
   78    HB3  TRP   8           1HB      TRP   8   3.845   3.248   2.323
   79    H    ARG   9           H        ARG   9   5.097   1.186   0.845
   80    HA   ARG   9           HA       ARG   9   7.310   0.916  -0.492
   81    HE   ARG   9           HE       ARG   9  10.903   4.330   1.057
   82    HB2  ARG   9           2HB      ARG   9   9.154   2.189   0.579
   83    HB3  ARG   9           1HB      ARG   9   8.039   3.189  -0.332
   84    HG2  ARG   9           2HG      ARG   9   6.955   3.872   1.755
   85    HG3  ARG   9           1HG      ARG   9   8.088   2.870   2.662
   86    HD2  ARG   9           2HD      ARG   9   8.815   5.205   0.896
   87    HD3  ARG   9           1HD      ARG   9   8.762   5.225   2.656
   88   HH11  ARG   9          1HH1      ARG   9   9.192   3.549   4.000
   89   HH12  ARG   9          2HH1      ARG   9  10.530   2.699   4.697
   90   HH21  ARG   9          1HH2      ARG   9  12.663   3.219   1.979
   91   HH22  ARG   9          2HH2      ARG   9  12.498   2.512   3.552
   92    HA   PRO  10           HA       PRO  10   8.148  -0.829   3.828
   93    HB2  PRO  10           2HB      PRO  10   6.540  -0.280   5.868
   94    HB3  PRO  10           1HB      PRO  10   7.715   0.916   5.307
   95    HG2  PRO  10           2HG      PRO  10   4.773   0.792   4.852
   96    HG3  PRO  10           1HG      PRO  10   5.810   2.206   5.105
   97    HD2  PRO  10           2HD      PRO  10   4.903   1.206   2.635
   98    HD3  PRO  10           1HD      PRO  10   6.169   2.415   2.868
   99    H    SER  11           H        SER  11   4.870  -0.748   2.664
  100    HA   SER  11           HA       SER  11   4.217  -3.304   3.887
  101    HG   SER  11           HG       SER  11   3.095  -0.818   4.283
  102    HB2  SER  11           2HB      SER  11   2.602  -1.526   2.040
  103    HB3  SER  11           1HB      SER  11   2.005  -2.985   2.830
  104    H    ILE  12           H        ILE  12   6.289  -2.794   1.670
  105    HA   ILE  12           HA       ILE  12   5.255  -4.835  -0.195
  106    HB   ILE  12           HB       ILE  12   5.525  -2.632  -1.277
  107   HG12  ILE  12          2HG1      ILE  12   5.868  -4.725  -2.571
  108   HG13  ILE  12          1HG1      ILE  12   6.796  -3.372  -3.205
  109   HG21  ILE  12          1HG2      ILE  12   8.436  -2.652  -1.309
  110   HG22  ILE  12          2HG2      ILE  12   7.761  -2.390   0.299
  111   HG23  ILE  12          3HG2      ILE  12   7.311  -1.322  -1.031
  112   HD11  ILE  12          3HD1      ILE  12   8.412  -4.935  -3.279
  113   HD12  ILE  12          1HD1      ILE  12   7.704  -5.891  -1.977
  114   HD13  ILE  12          2HD1      ILE  12   8.642  -4.446  -1.600
  Start of MODEL    7
    1    HA   HIS   1           HA       HIS   1  -9.126  -2.265  -5.567
    2    HD1  HIS   1           1HD      HIS   1  -7.415   1.424  -7.808
    3    HD2  HIS   1           2HD      HIS   1 -10.065  -1.776  -7.823
    4    HE1  HIS   1           1HE      HIS   1  -8.063   1.099 -10.215
    5    HE2  HIS   1           2HE      HIS   1  -9.604  -0.893 -10.209
    6    H1   HIS   1           1HT      HIS   1 -10.850   0.061  -5.218
    7    H2   HIS   1           2HT      HIS   1 -11.287  -1.455  -4.542
    8    H3   HIS   1           3HT      HIS   1 -11.040  -1.306  -6.232
    9    HB2  HIS   1           2HB      HIS   1  -8.723   0.730  -5.409
   10    HB3  HIS   1           1HB      HIS   1  -7.426  -0.439  -5.624
   11    HA   PRO   2           HA       PRO   2  -8.676  -2.774  -1.166
   12    HB2  PRO   2           2HB      PRO   2  -6.106  -3.791  -1.224
   13    HB3  PRO   2           1HB      PRO   2  -7.564  -4.743  -1.518
   14    HG2  PRO   2           2HG      PRO   2  -5.724  -3.442  -3.498
   15    HG3  PRO   2           1HG      PRO   2  -6.398  -5.088  -3.512
   16    HD2  PRO   2           2HD      PRO   2  -7.500  -3.227  -5.029
   17    HD3  PRO   2           1HD      PRO   2  -8.529  -4.324  -4.085
   18    H    LEU   3           H        LEU   3  -6.310  -2.623   0.158
   19    HA   LEU   3           HA       LEU   3  -5.840   0.246   0.187
   20    HG   LEU   3           HG       LEU   3  -5.707  -3.033   1.974
   21    HB2  LEU   3           2HB      LEU   3  -4.641  -0.229   2.324
   22    HB3  LEU   3           1HB      LEU   3  -6.339  -0.663   2.318
   23   HD11  LEU   3          1HD1      LEU   3  -2.934  -1.897   2.112
   24   HD12  LEU   3          2HD1      LEU   3  -3.631  -2.967   0.894
   25   HD13  LEU   3          3HD1      LEU   3  -3.278  -3.580   2.509
   26   HD21  LEU   3          3HD2      LEU   3  -5.484  -3.389   4.195
   27   HD22  LEU   3          1HD2      LEU   3  -5.806  -1.657   4.267
   28   HD23  LEU   3          2HD2      LEU   3  -4.147  -2.250   4.356
   29    H    LYS   4           H        LYS   4  -4.670  -1.493  -1.916
   30    HA   LYS   4           HA       LYS   4  -1.976  -1.970  -1.531
   31    HB2  LYS   4           2HB      LYS   4  -1.858  -2.039  -3.922
   32    HB3  LYS   4           1HB      LYS   4  -3.346  -2.762  -3.384
   33    HG2  LYS   4           2HG      LYS   4  -4.571  -0.756  -3.966
   34    HG3  LYS   4           1HG      LYS   4  -3.069   0.006  -4.499
   35    HD2  LYS   4           2HD      LYS   4  -2.795  -1.694  -6.217
   36    HD3  LYS   4           1HD      LYS   4  -4.257  -2.512  -5.663
   37    HE2  LYS   4           2HE      LYS   4  -4.723  -1.167  -7.628
   38    HE3  LYS   4           1HE      LYS   4  -5.572  -0.535  -6.222
   39    HZ1  LYS   4           3HZ      LYS   4  -4.617   1.415  -6.577
   40    HZ2  LYS   4           1HZ      LYS   4  -3.778   0.798  -7.910
   41    HZ3  LYS   4           2HZ      LYS   4  -3.084   0.730  -6.370
   42    H    GLN   5           H        GLN   5  -3.699   0.950  -2.190
   43    HA   GLN   5           HA       GLN   5  -1.365   2.465  -2.915
   44    HB2  GLN   5           2HB      GLN   5  -2.860   4.405  -2.817
   45    HB3  GLN   5           1HB      GLN   5  -3.529   3.111  -3.801
   46    HG2  GLN   5           2HG      GLN   5  -4.978   2.452  -1.948
   47    HG3  GLN   5           1HG      GLN   5  -4.306   3.751  -0.964
   48   HE21  GLN   5          1HE2      GLN   5  -5.566   5.443  -0.830
   49   HE22  GLN   5          2HE2      GLN   5  -6.642   6.027  -2.070
   50    H    TYR   6           H        TYR   6  -2.309   1.136  -0.076
   51    HA   TYR   6           HA       TYR   6  -1.645   3.425   1.606
   52    HD1  TYR   6           1HD      TYR   6  -4.176   1.639   0.438
   53    HD2  TYR   6           2HD      TYR   6  -3.857   2.703   4.545
   54    HE1  TYR   6           1HE      TYR   6  -6.511   2.404   0.414
   55    HE2  TYR   6           2HE      TYR   6  -6.193   3.471   4.533
   56    HH   TYR   6           HH       TYR   6  -7.823   4.369   2.373
   57    HB2  TYR   6           2HB      TYR   6  -2.406   0.588   2.303
   58    HB3  TYR   6           1HB      TYR   6  -2.017   1.819   3.497
   59    H    TRP   7           H        TRP   7  -0.132   0.630   0.289
   60    HA   TRP   7           HA       TRP   7   1.997   0.311   2.060
   61    HD1  TRP   7           HD       TRP   7  -0.856  -0.941  -0.245
   62    HE1  TRP   7           1HE      TRP   7  -1.690  -3.265   0.485
   63    HE3  TRP   7           3HE      TRP   7   3.531  -2.854   1.283
   64    HZ2  TRP   7           2HZ      TRP   7  -0.579  -5.634   1.599
   65    HZ3  TRP   7           3HZ      TRP   7   3.626  -5.159   2.186
   66    HH2  TRP   7           HH       TRP   7   1.596  -6.517   2.340
   67    HB2  TRP   7           2HB      TRP   7   1.863  -0.225  -0.912
   68    HB3  TRP   7           1HB      TRP   7   3.030  -0.916   0.212
   69    H    TRP   8           H        TRP   8   2.874   1.267  -1.188
   70    HA   TRP   8           HA       TRP   8   4.037   3.052  -2.013
   71    HD1  TRP   8           HD       TRP   8   4.241   5.340  -2.940
   72    HE1  TRP   8           1HE      TRP   8   5.729   7.442  -2.955
   73    HE3  TRP   8           3HE      TRP   8   4.947   5.869   2.092
   74    HZ2  TRP   8           2HZ      TRP   8   7.027   9.107  -1.073
   75    HZ3  TRP   8           3HZ      TRP   8   6.319   7.739   2.905
   76    HH2  TRP   8           HH       TRP   8   7.337   9.319   1.356
   77    HB2  TRP   8           2HB      TRP   8   2.654   4.474  -0.490
   78    HB3  TRP   8           1HB      TRP   8   3.842   4.224   0.768
   79    H    ARG   9           H        ARG   9   4.903   2.164   1.285
   80    HA   ARG   9           HA       ARG   9   7.730   2.199   0.525
   81    HE   ARG   9           HE       ARG   9   7.522   3.819  -0.178
   82    HB2  ARG   9           2HB      ARG   9   6.525   2.362   3.271
   83    HB3  ARG   9           1HB      ARG   9   8.224   2.569   2.862
   84    HG2  ARG   9           2HG      ARG   9   6.072   4.313   1.727
   85    HG3  ARG   9           1HG      ARG   9   6.866   4.680   3.263
   86    HD2  ARG   9           2HD      ARG   9   7.977   5.930   1.562
   87    HD3  ARG   9           1HD      ARG   9   9.053   4.622   2.042
   88   HH11  ARG   9          1HH1      ARG   9  10.132   5.972   0.664
   89   HH12  ARG   9          2HH1      ARG   9  10.837   5.935  -0.916
   90   HH21  ARG   9          1HH2      ARG   9   8.446   3.767  -2.258
   91   HH22  ARG   9          2HH2      ARG   9   9.879   4.686  -2.576
   92    HA   PRO  10           HA       PRO  10   7.277  -1.984   2.685
   93    HB2  PRO  10           2HB      PRO  10   4.858  -2.954   3.300
   94    HB3  PRO  10           1HB      PRO  10   5.665  -1.759   4.321
   95    HG2  PRO  10           2HG      PRO  10   3.396  -1.418   2.451
   96    HG3  PRO  10           1HG      PRO  10   3.775  -0.524   3.929
   97    HD2  PRO  10           2HD      PRO  10   4.307   0.240   1.245
   98    HD3  PRO  10           1HD      PRO  10   4.819   1.087   2.714
   99    H    SER  11           H        SER  11   4.999  -1.207   0.164
  100    HA   SER  11           HA       SER  11   4.914  -3.923  -0.837
  101    HG   SER  11           HG       SER  11   2.527  -2.962  -3.200
  102    HB2  SER  11           2HB      SER  11   2.915  -2.535  -1.064
  103    HB3  SER  11           1HB      SER  11   3.821  -1.348  -2.002
  104    H    ILE  12           H        ILE  12   7.296  -1.801  -0.763
  105    HA   ILE  12           HA       ILE  12   8.115  -2.074  -3.567
  106    HB   ILE  12           HB       ILE  12   9.387  -0.478  -1.337
  107   HG12  ILE  12          2HG1      ILE  12   7.198   0.408  -1.986
  108   HG13  ILE  12          1HG1      ILE  12   8.486   1.480  -2.526
  109   HG21  ILE  12          1HG2      ILE  12  10.170  -1.038  -4.136
  110   HG22  ILE  12          2HG2      ILE  12  11.170  -0.708  -2.721
  111   HG23  ILE  12          3HG2      ILE  12  10.372   0.618  -3.564
  112   HD11  ILE  12          3HD1      ILE  12   6.418   0.301  -4.044
  113   HD12  ILE  12          1HD1      ILE  12   7.948  -0.371  -4.605
  114   HD13  ILE  12          2HD1      ILE  12   7.705   1.375  -4.587
  Start of MODEL    8
    1    HA   HIS   1           HA       HIS   1 -11.081   1.109  -2.311
    2    HD1  HIS   1           1HD      HIS   1  -8.622   5.083  -0.740
    3    HD2  HIS   1           2HD      HIS   1 -10.285   1.958   1.434
    4    HE1  HIS   1           1HE      HIS   1  -8.166   5.625   1.672
    5    HE2  HIS   1           2HE      HIS   1  -9.102   3.674   2.963
    6    H1   HIS   1           1HT      HIS   1 -12.028   2.541  -0.226
    7    H2   HIS   1           2HT      HIS   1 -11.685   1.000   0.445
    8    H3   HIS   1           3HT      HIS   1 -12.719   1.134  -0.917
    9    HB2  HIS   1           2HB      HIS   1  -9.123   2.636  -2.045
   10    HB3  HIS   1           1HB      HIS   1 -10.676   3.456  -1.913
   11    HA   PRO   2           HA       PRO   2  -8.842  -2.401  -0.760
   12    HB2  PRO   2           2HB      PRO   2  -6.929  -2.447  -2.782
   13    HB3  PRO   2           1HB      PRO   2  -8.519  -3.214  -2.863
   14    HG2  PRO   2           2HG      PRO   2  -7.658  -0.534  -3.890
   15    HG3  PRO   2           1HG      PRO   2  -8.675  -1.762  -4.676
   16    HD2  PRO   2           2HD      PRO   2  -9.825   0.335  -3.562
   17    HD3  PRO   2           1HD      PRO   2 -10.498  -1.290  -3.293
   18    H    LEU   3           H        LEU   3  -6.293  -2.938  -0.948
   19    HA   LEU   3           HA       LEU   3  -5.066  -0.944   0.775
   20    HG   LEU   3           HG       LEU   3  -5.101  -4.455  -0.500
   21    HB2  LEU   3           2HB      LEU   3  -3.348  -2.679   1.199
   22    HB3  LEU   3           1HB      LEU   3  -4.978  -3.169   1.621
   23   HD11  LEU   3          1HD1      LEU   3  -3.604  -3.464  -1.972
   24   HD12  LEU   3          2HD1      LEU   3  -2.792  -4.960  -1.515
   25   HD13  LEU   3          3HD1      LEU   3  -2.303  -3.433  -0.783
   26   HD21  LEU   3          3HD2      LEU   3  -3.888  -6.307   0.297
   27   HD22  LEU   3          1HD2      LEU   3  -4.344  -5.389   1.731
   28   HD23  LEU   3          2HD2      LEU   3  -2.700  -5.284   1.102
   29    H    LYS   4           H        LYS   4  -5.275  -0.752  -2.269
   30    HA   LYS   4           HA       LYS   4  -2.790  -1.045  -3.458
   31    HB2  LYS   4           2HB      LYS   4  -4.832   1.109  -3.989
   32    HB3  LYS   4           1HB      LYS   4  -3.518   0.651  -5.062
   33    HG2  LYS   4           2HG      LYS   4  -4.487  -1.588  -5.275
   34    HG3  LYS   4           1HG      LYS   4  -5.819  -1.089  -4.228
   35    HD2  LYS   4           2HD      LYS   4  -6.486   0.602  -5.837
   36    HD3  LYS   4           1HD      LYS   4  -5.113   0.191  -6.868
   37    HE2  LYS   4           2HE      LYS   4  -6.016  -2.058  -7.172
   38    HE3  LYS   4           1HE      LYS   4  -7.385  -1.651  -6.140
   39    HZ1  LYS   4           3HZ      LYS   4  -8.323  -1.195  -8.125
   40    HZ2  LYS   4           1HZ      LYS   4  -6.848  -0.890  -8.896
   41    HZ3  LYS   4           2HZ      LYS   4  -7.553   0.298  -7.921
   42    H    GLN   5           H        GLN   5  -3.859   1.278  -1.174
   43    HA   GLN   5           HA       GLN   5  -1.650   3.087  -1.709
   44    HB2  GLN   5           2HB      GLN   5  -2.629   4.380   0.182
   45    HB3  GLN   5           1HB      GLN   5  -3.724   4.128  -1.170
   46    HG2  GLN   5           2HG      GLN   5  -4.825   2.328   0.034
   47    HG3  GLN   5           1HG      GLN   5  -3.706   2.532   1.383
   48   HE21  GLN   5          1HE2      GLN   5  -4.540   3.590   3.021
   49   HE22  GLN   5          2HE2      GLN   5  -5.732   4.858   2.930
   50    H    TYR   6           H        TYR   6  -1.726   0.208  -0.325
   51    HA   TYR   6           HA       TYR   6  -0.293   0.898   2.105
   52    HD1  TYR   6           1HD      TYR   6  -3.290   0.108   1.172
   53    HD2  TYR   6           2HD      TYR   6  -1.345  -1.877   4.391
   54    HE1  TYR   6           1HE      TYR   6  -5.280   0.447   2.578
   55    HE2  TYR   6           2HE      TYR   6  -3.330  -1.548   5.804
   56    HH   TYR   6           HH       TYR   6  -6.330  -0.468   4.534
   57    HB2  TYR   6           2HB      TYR   6  -1.230  -1.733   0.986
   58    HB3  TYR   6           1HB      TYR   6  -0.208  -1.622   2.416
   59    H    TRP   7           H        TRP   7   0.359  -0.186  -1.100
   60    HA   TRP   7           HA       TRP   7   3.096  -0.851  -0.403
   61    HD1  TRP   7           HD       TRP   7  -0.501  -1.403  -2.383
   62    HE1  TRP   7           1HE      TRP   7  -1.473  -0.614  -4.656
   63    HE3  TRP   7           3HE      TRP   7   3.838  -0.468  -4.772
   64    HZ2  TRP   7           2HZ      TRP   7  -0.470   0.314  -7.148
   65    HZ3  TRP   7           3HZ      TRP   7   3.802   0.379  -7.098
   66    HH2  TRP   7           HH       TRP   7   1.681   0.765  -8.255
   67    HB2  TRP   7           2HB      TRP   7   3.339  -1.522  -2.770
   68    HB3  TRP   7           1HB      TRP   7   2.081  -2.400  -1.909
   69    H    TRP   8           H        TRP   8   2.943   1.587   0.241
   70    HA   TRP   8           HA       TRP   8   3.917   3.189  -2.032
   71    HD1  TRP   8           HD       TRP   8   3.246   5.427  -3.047
   72    HE1  TRP   8           1HE      TRP   8   3.976   7.892  -2.944
   73    HE3  TRP   8           3HE      TRP   8   3.374   6.027   2.028
   74    HZ2  TRP   8           2HZ      TRP   8   4.532   9.835  -0.975
   75    HZ3  TRP   8           3HZ      TRP   8   4.014   8.219   2.942
   76    HH2  TRP   8           HH       TRP   8   4.582  10.083   1.470
   77    HB2  TRP   8           2HB      TRP   8   1.867   4.000  -0.846
   78    HB3  TRP   8           1HB      TRP   8   2.829   4.166   0.613
   79    H    ARG   9           H        ARG   9   4.697   1.844   1.018
   80    HA   ARG   9           HA       ARG   9   7.422   2.729   0.824
   81    HE   ARG   9           HE       ARG   9   7.522   4.108  -0.192
   82    HB2  ARG   9           2HB      ARG   9   5.725   3.523   3.180
   83    HB3  ARG   9           1HB      ARG   9   7.475   3.602   3.163
   84    HG2  ARG   9           2HG      ARG   9   5.745   5.096   1.213
   85    HG3  ARG   9           1HG      ARG   9   6.260   5.760   2.760
   86    HD2  ARG   9           2HD      ARG   9   7.762   6.555   1.081
   87    HD3  ARG   9           1HD      ARG   9   8.622   5.380   2.072
   88   HH11  ARG   9          1HH1      ARG   9  10.073   6.303   0.717
   89   HH12  ARG   9          2HH1      ARG   9  11.088   5.876  -0.620
   90   HH21  ARG   9          1HH2      ARG   9   8.852   3.542  -1.950
   91   HH22  ARG   9          2HH2      ARG   9  10.394   4.309  -2.136
   92    HA   PRO  10           HA       PRO  10   7.163  -0.706   4.024
   93    HB2  PRO  10           2HB      PRO  10   4.714  -1.479   4.984
   94    HB3  PRO  10           1HB      PRO  10   5.694  -0.191   5.686
   95    HG2  PRO  10           2HG      PRO  10   3.190   0.012   4.256
   96    HG3  PRO  10           1HG      PRO  10   4.077   1.281   5.112
   97    HD2  PRO  10           2HD      PRO  10   3.970   0.681   2.252
   98    HD3  PRO  10           1HD      PRO  10   4.544   2.153   3.053
   99    H    SER  11           H        SER  11   4.086  -1.180   2.269
  100    HA   SER  11           HA       SER  11   4.743  -3.949   1.803
  101    HG   SER  11           HG       SER  11   1.422  -2.842   2.498
  102    HB2  SER  11           2HB      SER  11   2.457  -2.260   0.753
  103    HB3  SER  11           1HB      SER  11   2.607  -4.005   0.553
  104    H    ILE  12           H        ILE  12   6.389  -1.642   0.717
  105    HA   ILE  12           HA       ILE  12   7.643  -1.233  -1.135
  106    HB   ILE  12           HB       ILE  12   6.456  -3.824  -2.148
  107   HG12  ILE  12          2HG1      ILE  12   8.687  -4.752  -1.561
  108   HG13  ILE  12          1HG1      ILE  12   9.124  -3.198  -0.860
  109   HG21  ILE  12          1HG2      ILE  12   8.378  -1.911  -3.344
  110   HG22  ILE  12          2HG2      ILE  12   7.193  -2.965  -4.117
  111   HG23  ILE  12          3HG2      ILE  12   8.717  -3.632  -3.531
  112   HD11  ILE  12          3HD1      ILE  12   8.343  -5.076   0.694
  113   HD12  ILE  12          1HD1      ILE  12   6.725  -4.698   0.102
  114   HD13  ILE  12          2HD1      ILE  12   7.673  -3.462   0.926
  Start of MODEL    9
    1    HA   HIS   1           HA       HIS   1 -10.370  -0.666  -4.637
    2    HD1  HIS   1           1HD      HIS   1 -12.527   2.156  -4.885
    3    HD2  HIS   1           2HD      HIS   1  -8.948   2.114  -6.997
    4    HE1  HIS   1           1HE      HIS   1 -13.086   3.036  -7.175
    5    HE2  HIS   1           2HE      HIS   1 -10.882   3.115  -8.392
    6    H1   HIS   1           1HT      HIS   1 -12.427   0.238  -4.465
    7    H2   HIS   1           2HT      HIS   1 -12.047   1.114  -3.039
    8    H3   HIS   1           3HT      HIS   1 -12.240  -0.590  -2.976
    9    HB2  HIS   1           2HB      HIS   1 -10.048   2.107  -3.470
   10    HB3  HIS   1           1HB      HIS   1  -8.840   1.274  -4.445
   11    HA   PRO   2           HA       PRO   2  -8.899  -2.529  -0.846
   12    HB2  PRO   2           2HB      PRO   2  -6.528  -3.470  -1.879
   13    HB3  PRO   2           1HB      PRO   2  -8.084  -4.284  -2.081
   14    HG2  PRO   2           2HG      PRO   2  -6.689  -2.385  -3.944
   15    HG3  PRO   2           1HG      PRO   2  -7.438  -3.959  -4.309
   16    HD2  PRO   2           2HD      PRO   2  -8.778  -1.745  -4.838
   17    HD3  PRO   2           1HD      PRO   2  -9.601  -3.109  -4.055
   18    H    LEU   3           H        LEU   3  -6.301  -2.754  -0.206
   19    HA   LEU   3           HA       LEU   3  -5.607  -0.028   0.508
   20    HG   LEU   3           HG       LEU   3  -5.265  -3.695   1.144
   21    HB2  LEU   3           2HB      LEU   3  -3.994  -1.115   2.061
   22    HB3  LEU   3           1HB      LEU   3  -5.667  -1.552   2.334
   23   HD11  LEU   3          1HD1      LEU   3  -2.825  -4.353   0.922
   24   HD12  LEU   3          2HD1      LEU   3  -2.460  -2.631   1.013
   25   HD13  LEU   3          3HD1      LEU   3  -3.464  -3.254  -0.297
   26   HD21  LEU   3          3HD2      LEU   3  -5.169  -4.103   3.368
   27   HD22  LEU   3          1HD2      LEU   3  -3.918  -2.893   3.651
   28   HD23  LEU   3          2HD2      LEU   3  -3.488  -4.464   2.975
   29    H    LYS   4           H        LYS   4  -5.115  -1.094  -2.230
   30    HA   LYS   4           HA       LYS   4  -2.492  -1.742  -2.709
   31    HB2  LYS   4           2HB      LYS   4  -2.927  -1.173  -4.939
   32    HB3  LYS   4           1HB      LYS   4  -4.454  -1.671  -4.268
   33    HG2  LYS   4           2HG      LYS   4  -5.196   0.600  -4.075
   34    HG3  LYS   4           1HG      LYS   4  -3.615   1.194  -4.588
   35    HD2  LYS   4           2HD      LYS   4  -5.123   1.312  -6.455
   36    HD3  LYS   4           1HD      LYS   4  -3.947   0.033  -6.762
   37    HE2  LYS   4           2HE      LYS   4  -6.140  -0.729  -7.402
   38    HE3  LYS   4           1HE      LYS   4  -5.604  -1.625  -5.980
   39    HZ1  LYS   4           3HZ      LYS   4  -7.149  -0.640  -4.659
   40    HZ2  LYS   4           1HZ      LYS   4  -7.993  -0.579  -6.125
   41    HZ3  LYS   4           2HZ      LYS   4  -7.190   0.794  -5.553
   42    H    GLN   5           H        GLN   5  -3.912   1.308  -1.945
   43    HA   GLN   5           HA       GLN   5  -1.514   2.779  -2.664
   44    HB2  GLN   5           2HB      GLN   5  -2.729   4.741  -1.837
   45    HB3  GLN   5           1HB      GLN   5  -3.643   3.855  -3.048
   46    HG2  GLN   5           2HG      GLN   5  -4.983   2.825  -1.288
   47    HG3  GLN   5           1HG      GLN   5  -4.062   3.708  -0.071
   48   HE21  GLN   5          1HE2      GLN   5  -5.085   5.396   0.691
   49   HE22  GLN   5          2HE2      GLN   5  -6.192   6.417  -0.190
   50    H    TYR   6           H        TYR   6  -2.178   0.760  -0.241
   51    HA   TYR   6           HA       TYR   6  -1.164   2.455   1.898
   52    HD1  TYR   6           1HD      TYR   6  -3.964   1.330   0.716
   53    HD2  TYR   6           2HD      TYR   6  -3.006   1.058   4.852
   54    HE1  TYR   6           1HE      TYR   6  -6.165   2.268   1.281
   55    HE2  TYR   6           2HE      TYR   6  -5.207   1.993   5.430
   56    HH   TYR   6           HH       TYR   6  -7.706   2.010   3.715
   57    HB2  TYR   6           2HB      TYR   6  -2.131  -0.392   1.899
   58    HB3  TYR   6           1HB      TYR   6  -1.438   0.388   3.315
   59    H    TRP   7           H        TRP   7   0.042   0.094  -0.297
   60    HA   TRP   7           HA       TRP   7   2.450  -0.230   1.280
   61    HD1  TRP   7           HD       TRP   7  -0.637  -1.577  -1.123
   62    HE1  TRP   7           1HE      TRP   7  -0.976  -1.838  -3.684
   63    HE3  TRP   7           3HE      TRP   7   4.206  -1.770  -2.508
   64    HZ2  TRP   7           2HZ      TRP   7   0.660  -2.072  -5.996
   65    HZ3  TRP   7           3HZ      TRP   7   4.790  -2.005  -4.903
   66    HH2  TRP   7           HH       TRP   7   3.043  -2.147  -6.610
   67    HB2  TRP   7           2HB      TRP   7   3.153  -1.858  -0.445
   68    HB3  TRP   7           1HB      TRP   7   1.643  -2.278   0.355
   69    H    TRP   8           H        TRP   8   2.495   2.202   0.854
   70    HA   TRP   8           HA       TRP   8   3.564   3.025  -1.668
   71    HD1  TRP   8           HD       TRP   8   3.494   5.276  -2.818
   72    HE1  TRP   8           1HE      TRP   8   4.865   7.427  -3.174
   73    HE3  TRP   8           3HE      TRP   8   4.811   6.220   2.035
   74    HZ2  TRP   8           2HZ      TRP   8   6.309   9.277  -1.608
   75    HZ3  TRP   8           3HZ      TRP   8   6.187   8.202   2.518
   76    HH2  TRP   8           HH       TRP   8   6.920   9.697   0.733
   77    HB2  TRP   8           2HB      TRP   8   2.258   4.517  -0.205
   78    HB3  TRP   8           1HB      TRP   8   3.542   4.461   0.991
   79    H    ARG   9           H        ARG   9   4.904   2.252   1.515
   80    HA   ARG   9           HA       ARG   9   7.548   2.123   0.249
   81    HE   ARG   9           HE       ARG   9   8.024   5.787  -1.770
   82    HB2  ARG   9           2HB      ARG   9   6.942   3.546   2.834
   83    HB3  ARG   9           1HB      ARG   9   8.561   3.201   2.243
   84    HG2  ARG   9           2HG      ARG   9   6.513   4.891   0.823
   85    HG3  ARG   9           1HG      ARG   9   7.867   5.503   1.775
   86    HD2  ARG   9           2HD      ARG   9   9.433   4.409   0.246
   87    HD3  ARG   9           1HD      ARG   9   8.081   3.786  -0.698
   88   HH11  ARG   9          1HH1      ARG   9   9.514   6.293   1.349
   89   HH12  ARG   9          2HH1      ARG   9   9.763   7.986   1.092
   90   HH21  ARG   9          1HH2      ARG   9   8.354   8.014  -2.105
   91   HH22  ARG   9          2HH2      ARG   9   9.104   8.964  -0.865
   92    HA   PRO  10           HA       PRO  10   6.914  -1.061   3.872
   93    HB2  PRO  10           2HB      PRO  10   5.302  -3.006   2.942
   94    HB3  PRO  10           1HB      PRO  10   4.661  -1.599   3.803
   95    HG2  PRO  10           2HG      PRO  10   4.875  -2.051   0.838
   96    HG3  PRO  10           1HG      PRO  10   3.465  -1.533   1.782
   97    HD2  PRO  10           2HD      PRO  10   4.979   0.262   0.489
   98    HD3  PRO  10           1HD      PRO  10   4.308   0.613   2.097
   99    H    SER  11           H        SER  11   7.168  -1.345   0.417
  100    HA   SER  11           HA       SER  11   8.312  -3.883   0.202
  101    HG   SER  11           HG       SER  11   9.041  -4.146  -2.271
  102    HB2  SER  11           2HB      SER  11   7.516  -2.628  -1.742
  103    HB3  SER  11           1HB      SER  11   8.792  -1.434  -1.509
  104    H    ILE  12           H        ILE  12   9.576  -1.095   1.676
  105    HA   ILE  12           HA       ILE  12  12.341  -2.016   1.325
  106    HB   ILE  12           HB       ILE  12  11.313   0.582   2.483
  107   HG12  ILE  12          2HG1      ILE  12  12.307   1.585   0.437
  108   HG13  ILE  12          1HG1      ILE  12  12.662  -0.033  -0.158
  109   HG21  ILE  12          1HG2      ILE  12  13.419  -0.111   3.508
  110   HG22  ILE  12          2HG2      ILE  12  13.644   1.302   2.476
  111   HG23  ILE  12          3HG2      ILE  12  14.141  -0.292   1.909
  112   HD11  ILE  12          3HD1      ILE  12  10.482  -0.472  -0.662
  113   HD12  ILE  12          1HD1      ILE  12  10.530   1.271  -0.935
  114   HD13  ILE  12          2HD1      ILE  12   9.859   0.630   0.565
  Start of MODEL   10
    1    HA   HIS   1           HA       HIS   1 -10.908   0.171  -4.196
    2    HD1  HIS   1           1HD      HIS   1 -10.941   1.159  -6.507
    3    HD2  HIS   1           2HD      HIS   1 -10.490   4.812  -4.578
    4    HE1  HIS   1           1HE      HIS   1 -12.058   2.848  -7.997
    5    HE2  HIS   1           2HE      HIS   1 -11.696   5.063  -6.853
    6    H1   HIS   1           1HT      HIS   1 -12.315   1.972  -3.612
    7    H2   HIS   1           2HT      HIS   1 -11.455   2.212  -2.147
    8    H3   HIS   1           3HT      HIS   1 -12.349   0.767  -2.393
    9    HB2  HIS   1           2HB      HIS   1  -9.418   2.668  -3.351
   10    HB3  HIS   1           1HB      HIS   1  -8.861   1.505  -4.548
   11    HA   PRO   2           HA       PRO   2  -9.019  -2.314  -1.074
   12    HB2  PRO   2           2HB      PRO   2  -6.728  -3.030  -2.486
   13    HB3  PRO   2           1HB      PRO   2  -8.290  -3.851  -2.587
   14    HG2  PRO   2           2HG      PRO   2  -7.161  -1.716  -4.361
   15    HG3  PRO   2           1HG      PRO   2  -8.015  -3.208  -4.812
   16    HD2  PRO   2           2HD      PRO   2  -9.335  -0.931  -4.847
   17    HD3  PRO   2           1HD      PRO   2 -10.079  -2.360  -4.092
   18    H    LEU   3           H        LEU   3  -6.547  -2.747  -0.453
   19    HA   LEU   3           HA       LEU   3  -5.621  -0.177   0.536
   20    HG   LEU   3           HG       LEU   3  -5.571  -3.898   0.811
   21    HB2  LEU   3           2HB      LEU   3  -4.140  -1.522   2.002
   22    HB3  LEU   3           1HB      LEU   3  -5.848  -1.860   2.207
   23   HD11  LEU   3          1HD1      LEU   3  -3.714  -3.506  -0.542
   24   HD12  LEU   3          2HD1      LEU   3  -3.145  -4.698   0.627
   25   HD13  LEU   3          3HD1      LEU   3  -2.713  -2.999   0.818
   26   HD21  LEU   3          3HD2      LEU   3  -3.734  -3.791   3.196
   27   HD22  LEU   3          1HD2      LEU   3  -4.519  -5.220   2.528
   28   HD23  LEU   3          2HD2      LEU   3  -5.488  -3.952   3.278
   29    H    LYS   4           H        LYS   4  -5.153  -1.230  -2.288
   30    HA   LYS   4           HA       LYS   4  -2.493  -1.902  -2.675
   31    HB2  LYS   4           2HB      LYS   4  -4.214  -0.206  -4.471
   32    HB3  LYS   4           1HB      LYS   4  -2.750  -1.048  -4.944
   33    HG2  LYS   4           2HG      LYS   4  -3.871  -3.187  -4.347
   34    HG3  LYS   4           1HG      LYS   4  -5.350  -2.272  -4.069
   35    HD2  LYS   4           2HD      LYS   4  -3.837  -2.454  -6.677
   36    HD3  LYS   4           1HD      LYS   4  -5.331  -3.302  -6.290
   37    HE2  LYS   4           2HE      LYS   4  -5.906  -1.416  -7.622
   38    HE3  LYS   4           1HE      LYS   4  -6.418  -1.071  -5.974
   39    HZ1  LYS   4           3HZ      LYS   4  -4.915   0.554  -7.539
   40    HZ2  LYS   4           1HZ      LYS   4  -3.755  -0.160  -6.535
   41    HZ3  LYS   4           2HZ      LYS   4  -5.063   0.676  -5.859
   42    H    GLN   5           H        GLN   5  -3.887   1.128  -1.851
   43    HA   GLN   5           HA       GLN   5  -1.498   2.620  -2.558
   44    HB2  GLN   5           2HB      GLN   5  -2.775   4.552  -1.651
   45    HB3  GLN   5           1HB      GLN   5  -3.571   3.721  -2.981
   46    HG2  GLN   5           2HG      GLN   5  -5.020   2.562  -1.410
   47    HG3  GLN   5           1HG      GLN   5  -4.202   3.352  -0.061
   48   HE21  GLN   5          1HE2      GLN   5  -5.310   4.960   0.759
   49   HE22  GLN   5          2HE2      GLN   5  -6.364   6.039  -0.114
   50    H    TYR   6           H        TYR   6  -2.065   0.576  -0.167
   51    HA   TYR   6           HA       TYR   6  -1.154   2.266   2.014
   52    HD1  TYR   6           1HD      TYR   6  -3.920   1.021   0.822
   53    HD2  TYR   6           2HD      TYR   6  -2.879   0.696   4.932
   54    HE1  TYR   6           1HE      TYR   6  -6.152   1.846   1.447
   55    HE2  TYR   6           2HE      TYR   6  -5.109   1.513   5.568
   56    HH   TYR   6           HH       TYR   6  -7.285   2.879   3.290
   57    HB2  TYR   6           2HB      TYR   6  -1.988  -0.624   1.912
   58    HB3  TYR   6           1HB      TYR   6  -1.313   0.122   3.358
   59    H    TRP   7           H        TRP   7   0.106  -0.036  -0.215
   60    HA   TRP   7           HA       TRP   7   2.564  -0.261   1.300
   61    HD1  TRP   7           HD       TRP   7  -0.531  -1.720  -1.033
   62    HE1  TRP   7           1HE      TRP   7  -0.918  -1.994  -3.583
   63    HE3  TRP   7           3HE      TRP   7   4.285  -1.726  -2.527
   64    HZ2  TRP   7           2HZ      TRP   7   0.674  -2.161  -5.932
   65    HZ3  TRP   7           3HZ      TRP   7   4.821  -1.933  -4.935
   66    HH2  TRP   7           HH       TRP   7   3.043  -2.141  -6.601
   67    HB2  TRP   7           2HB      TRP   7   3.277  -1.869  -0.436
   68    HB3  TRP   7           1HB      TRP   7   1.798  -2.336   0.394
   69    H    TRP   8           H        TRP   8   2.503   2.163   0.869
   70    HA   TRP   8           HA       TRP   8   3.495   3.018  -1.672
   71    HD1  TRP   8           HD       TRP   8   3.578   5.187  -2.822
   72    HE1  TRP   8           1HE      TRP   8   4.813   7.423  -3.138
   73    HE3  TRP   8           3HE      TRP   8   4.366   6.379   2.086
   74    HZ2  TRP   8           2HZ      TRP   8   5.960   9.432  -1.519
   75    HZ3  TRP   8           3HZ      TRP   8   5.534   8.478   2.618
   76    HH2  TRP   8           HH       TRP   8   6.313   9.969   0.851
   77    HB2  TRP   8           2HB      TRP   8   2.159   4.474  -0.214
   78    HB3  TRP   8           1HB      TRP   8   3.436   4.443   0.992
   79    H    ARG   9           H        ARG   9   4.921   2.353   1.506
   80    HA   ARG   9           HA       ARG   9   7.539   2.292   0.193
   81    HE   ARG   9           HE       ARG   9   9.860   5.828   2.297
   82    HB2  ARG   9           2HB      ARG   9   7.126   3.509   2.909
   83    HB3  ARG   9           1HB      ARG   9   8.578   3.551   1.914
   84    HG2  ARG   9           2HG      ARG   9   7.151   4.789   0.209
   85    HG3  ARG   9           1HG      ARG   9   5.995   5.002   1.512
   86    HD2  ARG   9           2HD      ARG   9   7.461   6.944   1.337
   87    HD3  ARG   9           1HD      ARG   9   7.682   6.109   2.873
   88   HH11  ARG   9          1HH1      ARG   9   8.022   6.199  -0.651
   89   HH12  ARG   9          2HH1      ARG   9   9.407   6.044  -1.678
   90   HH21  ARG   9          1HH2      ARG   9  11.679   5.632   0.944
   91   HH22  ARG   9          2HH2      ARG   9  11.482   5.726  -0.775
   92    HA   PRO  10           HA       PRO  10   7.187  -0.871   3.875
   93    HB2  PRO  10           2HB      PRO  10   5.511  -2.852   3.142
   94    HB3  PRO  10           1HB      PRO  10   4.953  -1.438   4.048
   95    HG2  PRO  10           2HG      PRO  10   4.828  -1.958   1.094
   96    HG3  PRO  10           1HG      PRO  10   3.546  -1.386   2.180
   97    HD2  PRO  10           2HD      PRO  10   4.948   0.325   0.643
   98    HD3  PRO  10           1HD      PRO  10   4.415   0.761   2.280
   99    H    SER  11           H        SER  11   7.167  -1.221   0.417
  100    HA   SER  11           HA       SER  11   8.669  -3.705   0.495
  101    HG   SER  11           HG       SER  11   7.608  -1.846  -2.961
  102    HB2  SER  11           2HB      SER  11   8.599  -3.558  -1.972
  103    HB3  SER  11           1HB      SER  11   6.992  -3.417  -1.263
  104    H    ILE  12           H        ILE  12   9.729  -1.062   1.548
  105    HA   ILE  12           HA       ILE  12  11.790  -0.200  -0.202
  106    HB   ILE  12           HB       ILE  12  10.974   1.220   1.615
  107   HG12  ILE  12          2HG1      ILE  12  13.894   0.478   1.918
  108   HG13  ILE  12          1HG1      ILE  12  13.236   1.600   0.731
  109   HG21  ILE  12          1HG2      ILE  12  12.484  -0.224   3.696
  110   HG22  ILE  12          2HG2      ILE  12  10.982  -0.976   3.161
  111   HG23  ILE  12          3HG2      ILE  12  10.966   0.667   3.805
  112   HD11  ILE  12          3HD1      ILE  12  14.320   2.411   2.999
  113   HD12  ILE  12          1HD1      ILE  12  12.677   2.146   3.585
  114   HD13  ILE  12          2HD1      ILE  12  12.966   3.261   2.248
  Start of MODEL   11
    1    HA   HIS   1           HA       HIS   1 -10.743  -0.690  -3.958
    2    HD1  HIS   1           1HD      HIS   1 -10.679  -0.130  -6.412
    3    HD2  HIS   1           2HD      HIS   1 -10.290   3.808  -5.144
    4    HE1  HIS   1           1HE      HIS   1 -11.741   1.266  -8.215
    5    HE2  HIS   1           2HE      HIS   1 -11.428   3.649  -7.461
    6    H1   HIS   1           1HT      HIS   1 -11.349   1.793  -2.523
    7    H2   HIS   1           2HT      HIS   1 -12.110   0.302  -2.145
    8    H3   HIS   1           3HT      HIS   1 -12.273   0.979  -3.715
    9    HB2  HIS   1           2HB      HIS   1  -9.272   1.921  -3.520
   10    HB3  HIS   1           1HB      HIS   1  -8.676   0.564  -4.471
   11    HA   PRO   2           HA       PRO   2  -8.890  -2.534  -0.393
   12    HB2  PRO   2           2HB      PRO   2  -6.648  -3.619  -1.597
   13    HB3  PRO   2           1HB      PRO   2  -8.255  -4.351  -1.634
   14    HG2  PRO   2           2HG      PRO   2  -6.934  -2.584  -3.672
   15    HG3  PRO   2           1HG      PRO   2  -7.818  -4.109  -3.920
   16    HD2  PRO   2           2HD      PRO   2  -9.051  -1.824  -4.389
   17    HD3  PRO   2           1HD      PRO   2  -9.885  -3.103  -3.480
   18    H    LEU   3           H        LEU   3  -6.259  -2.936   0.075
   19    HA   LEU   3           HA       LEU   3  -5.354  -0.247   0.689
   20    HG   LEU   3           HG       LEU   3  -5.309  -3.876   1.508
   21    HB2  LEU   3           2HB      LEU   3  -3.642  -1.425   2.099
   22    HB3  LEU   3           1HB      LEU   3  -5.315  -1.643   2.580
   23   HD11  LEU   3          1HD1      LEU   3  -3.680  -3.681  -0.187
   24   HD12  LEU   3          2HD1      LEU   3  -3.040  -4.839   0.978
   25   HD13  LEU   3          3HD1      LEU   3  -2.437  -3.182   0.961
   26   HD21  LEU   3          3HD2      LEU   3  -3.539  -3.119   3.754
   27   HD22  LEU   3          1HD2      LEU   3  -3.385  -4.759   3.128
   28   HD23  LEU   3          2HD2      LEU   3  -4.944  -4.185   3.722
   29    H    LYS   4           H        LYS   4  -5.157  -1.152  -2.031
   30    HA   LYS   4           HA       LYS   4  -2.480  -1.897  -2.631
   31    HB2  LYS   4           2HB      LYS   4  -4.283  -2.388  -4.178
   32    HB3  LYS   4           1HB      LYS   4  -4.643  -0.674  -4.341
   33    HG2  LYS   4           2HG      LYS   4  -2.481  -0.306  -5.390
   34    HG3  LYS   4           1HG      LYS   4  -2.092  -2.018  -5.211
   35    HD2  LYS   4           2HD      LYS   4  -4.377  -0.882  -6.823
   36    HD3  LYS   4           1HD      LYS   4  -2.862  -1.503  -7.479
   37    HE2  LYS   4           2HE      LYS   4  -4.904  -3.082  -5.917
   38    HE3  LYS   4           1HE      LYS   4  -4.648  -3.156  -7.659
   39    HZ1  LYS   4           3HZ      LYS   4  -2.410  -3.978  -7.256
   40    HZ2  LYS   4           1HZ      LYS   4  -3.558  -4.988  -6.532
   41    HZ3  LYS   4           2HZ      LYS   4  -2.661  -3.911  -5.585
   42    H    GLN   5           H        GLN   5  -4.002   1.084  -1.896
   43    HA   GLN   5           HA       GLN   5  -1.915   2.670  -3.148
   44    HB2  GLN   5           2HB      GLN   5  -3.207   4.609  -2.291
   45    HB3  GLN   5           1HB      GLN   5  -4.134   3.543  -3.336
   46    HG2  GLN   5           2HG      GLN   5  -5.177   2.521  -1.390
   47    HG3  GLN   5           1HG      GLN   5  -4.233   3.567  -0.329
   48   HE21  GLN   5          1HE2      GLN   5  -7.180   3.155  -1.642
   49   HE22  GLN   5          2HE2      GLN   5  -7.747   4.804  -1.644
   50    H    TYR   6           H        TYR   6  -2.172   1.036  -0.299
   51    HA   TYR   6           HA       TYR   6  -0.839   3.036   1.335
   52    HD1  TYR   6           1HD      TYR   6  -2.052   3.260   4.019
   53    HD2  TYR   6           2HD      TYR   6  -4.071   0.805   1.207
   54    HE1  TYR   6           1HE      TYR   6  -4.167   4.389   4.568
   55    HE2  TYR   6           2HE      TYR   6  -6.204   1.904   1.760
   56    HH   TYR   6           HH       TYR   6  -6.606   3.879   4.460
   57    HB2  TYR   6           2HB      TYR   6  -1.842   0.257   1.913
   58    HB3  TYR   6           1HB      TYR   6  -0.995   1.250   3.098
   59    H    TRP   7           H        TRP   7   0.083   0.487  -0.728
   60    HA   TRP   7           HA       TRP   7   2.467  -0.299   0.557
   61    HD1  TRP   7           HD       TRP   7  -0.843  -0.952  -1.692
   62    HE1  TRP   7           1HE      TRP   7  -1.949  -3.181  -1.032
   63    HE3  TRP   7           3HE      TRP   7   3.309  -3.464  -0.353
   64    HZ2  TRP   7           2HZ      TRP   7  -1.123  -5.708  -0.024
   65    HZ3  TRP   7           3HZ      TRP   7   3.120  -5.792   0.469
   66    HH2  TRP   7           HH       TRP   7   0.938  -6.885   0.632
   67    HB2  TRP   7           2HB      TRP   7   1.807  -0.468  -2.384
   68    HB3  TRP   7           1HB      TRP   7   2.986  -1.437  -1.508
   69    H    TRP   8           H        TRP   8   2.635   2.238   0.852
   70    HA   TRP   8           HA       TRP   8   4.138   3.487  -1.285
   71    HD1  TRP   8           HD       TRP   8   4.211   5.890  -2.083
   72    HE1  TRP   8           1HE      TRP   8   5.553   8.067  -1.801
   73    HE3  TRP   8           3HE      TRP   8   4.407   6.068   3.022
   74    HZ2  TRP   8           2HZ      TRP   8   6.559   9.654   0.308
   75    HZ3  TRP   8           3HZ      TRP   8   5.577   7.948   4.093
   76    HH2  TRP   8           HH       TRP   8   6.630   9.704   2.762
   77    HB2  TRP   8           2HB      TRP   8   2.465   4.730   0.040
   78    HB3  TRP   8           1HB      TRP   8   3.450   4.502   1.475
   79    H    ARG   9           H        ARG   9   4.671   2.033   1.864
   80    HA   ARG   9           HA       ARG   9   7.559   2.299   1.396
   81    HE   ARG   9           HE       ARG   9   7.609   6.754   2.258
   82    HB2  ARG   9           2HB      ARG   9   6.137   2.743   4.014
   83    HB3  ARG   9           1HB      ARG   9   7.882   2.634   3.834
   84    HG2  ARG   9           2HG      ARG   9   6.108   4.704   2.555
   85    HG3  ARG   9           1HG      ARG   9   7.137   4.949   3.969
   86    HD2  ARG   9           2HD      ARG   9   9.110   4.424   2.606
   87    HD3  ARG   9           1HD      ARG   9   8.073   4.206   1.198
   88   HH11  ARG   9          1HH1      ARG   9  10.136   4.971   0.644
   89   HH12  ARG   9          2HH1      ARG   9  10.835   6.377  -0.086
   90   HH21  ARG   9          1HH2      ARG   9   8.529   8.607   1.299
   91   HH22  ARG   9          2HH2      ARG   9   9.922   8.441   0.286
   92    HA   PRO  10           HA       PRO  10   6.249  -1.930   3.395
   93    HB2  PRO  10           2HB      PRO  10   5.190  -3.421   1.417
   94    HB3  PRO  10           1HB      PRO  10   4.185  -2.399   2.455
   95    HG2  PRO  10           2HG      PRO  10   5.296  -1.793  -0.271
   96    HG3  PRO  10           1HG      PRO  10   3.630  -1.624   0.311
   97    HD2  PRO  10           2HD      PRO  10   5.266   0.496   0.216
   98    HD3  PRO  10           1HD      PRO  10   4.124   0.277   1.559
   99    H    SER  11           H        SER  11   7.429  -1.073   0.220
  100    HA   SER  11           HA       SER  11   9.123  -3.411   0.019
  101    HG   SER  11           HG       SER  11   7.301  -1.910  -2.527
  102    HB2  SER  11           2HB      SER  11   8.960  -0.936  -1.716
  103    HB3  SER  11           1HB      SER  11   9.902  -2.380  -2.088
  104    H    ILE  12           H        ILE  12   9.439  -1.335   2.222
  105    HA   ILE  12           HA       ILE  12  11.137  -0.387   3.402
  106    HB   ILE  12           HB       ILE  12  12.893  -2.039   1.576
  107   HG12  ILE  12          2HG1      ILE  12  11.277  -3.407   2.806
  108   HG13  ILE  12          1HG1      ILE  12  12.904  -3.662   3.428
  109   HG21  ILE  12          1HG2      ILE  12  14.383  -0.567   2.535
  110   HG22  ILE  12          2HG2      ILE  12  14.385  -1.879   3.714
  111   HG23  ILE  12          3HG2      ILE  12  13.445  -0.417   4.021
  112   HD11  ILE  12          3HD1      ILE  12  11.234  -3.522   5.205
  113   HD12  ILE  12          1HD1      ILE  12  10.824  -1.889   4.684
  114   HD13  ILE  12          2HD1      ILE  12  12.432  -2.234   5.321
  Start of MODEL   12
    1    HA   HIS   1           HA       HIS   1  -9.784  -0.105  -4.705
    2    HD1  HIS   1           1HD      HIS   1 -10.425   1.972  -5.983
    3    HD2  HIS   1           2HD      HIS   1 -14.010   1.723  -3.895
    4    HE1  HIS   1           1HE      HIS   1 -12.157   2.981  -7.499
    5    HE2  HIS   1           2HE      HIS   1 -14.333   2.744  -6.249
    6    H1   HIS   1           1HT      HIS   1 -12.124  -1.468  -3.549
    7    H2   HIS   1           2HT      HIS   1 -11.000  -2.140  -4.659
    8    H3   HIS   1           3HT      HIS   1 -12.003  -0.832  -5.136
    9    HB2  HIS   1           2HB      HIS   1 -11.827   0.765  -2.646
   10    HB3  HIS   1           1HB      HIS   1 -10.405   1.688  -3.123
   11    HA   PRO   2           HA       PRO   2  -8.570  -3.080  -1.260
   12    HB2  PRO   2           2HB      PRO   2  -6.096  -3.523  -2.399
   13    HB3  PRO   2           1HB      PRO   2  -7.526  -4.513  -2.711
   14    HG2  PRO   2           2HG      PRO   2  -6.442  -2.202  -4.295
   15    HG3  PRO   2           1HG      PRO   2  -6.980  -3.799  -4.873
   16    HD2  PRO   2           2HD      PRO   2  -8.620  -1.747  -5.098
   17    HD3  PRO   2           1HD      PRO   2  -9.235  -3.298  -4.486
   18    H    LEU   3           H        LEU   3  -5.974  -3.070  -0.604
   19    HA   LEU   3           HA       LEU   3  -5.617  -0.407   0.495
   20    HG   LEU   3           HG       LEU   3  -4.842  -4.067   0.649
   21    HB2  LEU   3           2HB      LEU   3  -3.904  -1.498   1.929
   22    HB3  LEU   3           1HB      LEU   3  -5.511  -2.167   2.097
   23   HD11  LEU   3          1HD1      LEU   3  -3.107  -3.231  -0.690
   24   HD12  LEU   3          2HD1      LEU   3  -2.336  -4.388   0.394
   25   HD13  LEU   3          3HD1      LEU   3  -2.191  -2.659   0.706
   26   HD21  LEU   3          3HD2      LEU   3  -2.985  -4.849   2.395
   27   HD22  LEU   3          1HD2      LEU   3  -4.698  -4.755   2.802
   28   HD23  LEU   3          2HD2      LEU   3  -3.608  -3.449   3.265
   29    H    LYS   4           H        LYS   4  -5.024  -0.993  -2.338
   30    HA   LYS   4           HA       LYS   4  -2.358  -1.274  -2.929
   31    HB2  LYS   4           2HB      LYS   4  -2.907  -0.377  -5.030
   32    HB3  LYS   4           1HB      LYS   4  -4.357  -1.147  -4.441
   33    HG2  LYS   4           2HG      LYS   4  -5.295   0.984  -3.802
   34    HG3  LYS   4           1HG      LYS   4  -3.816   1.804  -4.304
   35    HD2  LYS   4           2HD      LYS   4  -5.454   2.057  -6.039
   36    HD3  LYS   4           1HD      LYS   4  -4.201   0.955  -6.612
   37    HE2  LYS   4           2HE      LYS   4  -6.378   0.105  -7.224
   38    HE3  LYS   4           1HE      LYS   4  -5.646  -0.950  -6.014
   39    HZ1  LYS   4           3HZ      LYS   4  -8.131  -0.030  -5.847
   40    HZ2  LYS   4           1HZ      LYS   4  -7.328   1.186  -4.989
   41    HZ3  LYS   4           2HZ      LYS   4  -7.201  -0.425  -4.491
   42    H    GLN   5           H        GLN   5  -4.106   1.464  -1.746
   43    HA   GLN   5           HA       GLN   5  -1.899   3.293  -2.177
   44    HB2  GLN   5           2HB      GLN   5  -4.184   4.122  -2.393
   45    HB3  GLN   5           1HB      GLN   5  -4.526   3.664  -0.730
   46    HG2  GLN   5           2HG      GLN   5  -2.905   5.278   0.069
   47    HG3  GLN   5           1HG      GLN   5  -2.499   5.715  -1.589
   48   HE21  GLN   5          1HE2      GLN   5  -3.387   7.526  -2.235
   49   HE22  GLN   5          2HE2      GLN   5  -4.928   8.159  -1.723
   50    H    TYR   6           H        TYR   6  -2.412   0.875  -0.042
   51    HA   TYR   6           HA       TYR   6  -1.450   2.316   2.308
   52    HD1  TYR   6           1HD      TYR   6  -4.196   1.091   0.911
   53    HD2  TYR   6           2HD      TYR   6  -3.238   0.481   5.011
   54    HE1  TYR   6           1HE      TYR   6  -6.472   1.776   1.540
   55    HE2  TYR   6           2HE      TYR   6  -5.513   1.162   5.651
   56    HH   TYR   6           HH       TYR   6  -7.719   1.330   4.700
   57    HB2  TYR   6           2HB      TYR   6  -2.229  -0.570   1.922
   58    HB3  TYR   6           1HB      TYR   6  -1.618   0.082   3.437
   59    H    TRP   7           H        TRP   7  -0.132   0.484  -0.269
   60    HA   TRP   7           HA       TRP   7   2.102  -0.616   0.952
   61    HD1  TRP   7           HD       TRP   7  -0.873  -0.744  -1.567
   62    HE1  TRP   7           1HE      TRP   7  -1.583  -3.195  -1.928
   63    HE3  TRP   7           3HE      TRP   7   3.654  -2.880  -1.155
   64    HZ2  TRP   7           2HZ      TRP   7  -0.325  -5.745  -2.006
   65    HZ3  TRP   7           3HZ      TRP   7   3.881  -5.340  -1.369
   66    HH2  TRP   7           HH       TRP   7   1.917  -6.740  -1.782
   67    HB2  TRP   7           2HB      TRP   7   1.724   0.369  -1.877
   68    HB3  TRP   7           1HB      TRP   7   3.019  -0.696  -1.336
   69    H    TRP   8           H        TRP   8   2.782   1.818  -1.459
   70    HA   TRP   8           HA       TRP   8   3.871   3.820  -1.381
   71    HD1  TRP   8           HD       TRP   8   4.187   6.332  -0.959
   72    HE1  TRP   8           1HE      TRP   8   5.950   8.012  -0.124
   73    HE3  TRP   8           3HE      TRP   8   5.624   3.941   3.323
   74    HZ2  TRP   8           2HZ      TRP   8   7.717   8.285   2.063
   75    HZ3  TRP   8           3HZ      TRP   8   7.356   4.975   4.729
   76    HH2  TRP   8           HH       TRP   8   8.380   7.102   4.111
   77    HB2  TRP   8           2HB      TRP   8   2.812   4.354   0.776
   78    HB3  TRP   8           1HB      TRP   8   4.040   3.410   1.612
   79    H    ARG   9           H        ARG   9   5.061   1.011   0.314
   80    HA   ARG   9           HA       ARG   9   7.198   0.330  -0.943
   81    HE   ARG   9           HE       ARG   9  11.113   3.654  -0.099
   82    HB2  ARG   9           2HB      ARG   9   9.206   1.512  -0.076
   83    HB3  ARG   9           1HB      ARG   9   8.192   2.492  -1.120
   84    HG2  ARG   9           2HG      ARG   9   7.203   3.526   0.912
   85    HG3  ARG   9           1HG      ARG   9   8.365   2.610   1.877
   86    HD2  ARG   9           2HD      ARG   9   9.059   4.609  -0.270
   87    HD3  ARG   9           1HD      ARG   9   9.127   4.904   1.467
   88   HH11  ARG   9          1HH1      ARG   9   9.576   3.442   3.030
   89   HH12  ARG   9          2HH1      ARG   9  10.918   2.641   3.772
   90   HH21  ARG   9          1HH2      ARG   9  12.880   2.607   0.881
   91   HH22  ARG   9          2HH2      ARG   9  12.795   2.171   2.555
   92    HA   PRO  10           HA       PRO  10   8.105  -0.610   3.754
   93    HB2  PRO  10           2HB      PRO  10   5.960  -0.240   5.383
   94    HB3  PRO  10           1HB      PRO  10   7.208   0.989   5.145
   95    HG2  PRO  10           2HG      PRO  10   4.533   0.733   3.809
   96    HG3  PRO  10           1HG      PRO  10   5.284   2.173   4.530
   97    HD2  PRO  10           2HD      PRO  10   5.346   1.774   1.892
   98    HD3  PRO  10           1HD      PRO  10   6.735   2.457   2.744
   99    H    SER  11           H        SER  11   5.193  -1.090   1.955
  100    HA   SER  11           HA       SER  11   4.485  -3.557   3.280
  101    HG   SER  11           HG       SER  11   1.584  -3.785   1.665
  102    HB2  SER  11           2HB      SER  11   2.719  -2.131   2.365
  103    HB3  SER  11           1HB      SER  11   3.406  -2.291   0.750
  104    H    ILE  12           H        ILE  12   7.034  -2.926   1.465
  105    HA   ILE  12           HA       ILE  12   6.813  -5.120  -0.431
  106    HB   ILE  12           HB       ILE  12   9.138  -3.276   0.145
  107   HG12  ILE  12          2HG1      ILE  12   7.097  -3.252  -2.091
  108   HG13  ILE  12          1HG1      ILE  12   7.182  -2.099  -0.763
  109   HG21  ILE  12          1HG2      ILE  12   9.239  -4.401  -2.459
  110   HG22  ILE  12          2HG2      ILE  12   9.019  -5.717  -1.307
  111   HG23  ILE  12          3HG2      ILE  12  10.376  -4.606  -1.127
  112   HD11  ILE  12          3HD1      ILE  12   9.701  -2.253  -2.138
  113   HD12  ILE  12          1HD1      ILE  12   8.653  -0.862  -1.855
  114   HD13  ILE  12          2HD1      ILE  12   8.386  -1.897  -3.259
  Start of MODEL   13
    1    HA   HIS   1           HA       HIS   1 -10.821   1.556  -1.411
    2    HD1  HIS   1           1HD      HIS   1 -13.480   1.893   0.870
    3    HD2  HIS   1           2HD      HIS   1 -11.029   5.180   0.195
    4    HE1  HIS   1           1HE      HIS   1 -15.032   3.861   0.685
    5    HE2  HIS   1           2HE      HIS   1 -13.535   5.825   0.187
    6    H1   HIS   1           1HT      HIS   1 -12.809   0.849  -0.690
    7    H2   HIS   1           2HT      HIS   1 -12.207   0.309   0.825
    8    H3   HIS   1           3HT      HIS   1 -11.898  -0.601  -0.597
    9    HB2  HIS   1           2HB      HIS   1 -10.689   1.806   1.604
   10    HB3  HIS   1           1HB      HIS   1  -9.796   2.803   0.460
   11    HA   PRO   2           HA       PRO   2  -8.405  -2.447  -1.062
   12    HB2  PRO   2           2HB      PRO   2  -6.874  -1.151  -3.154
   13    HB3  PRO   2           1HB      PRO   2  -7.830  -2.630  -3.230
   14    HG2  PRO   2           2HG      PRO   2  -8.558   0.100  -4.009
   15    HG3  PRO   2           1HG      PRO   2  -9.304  -1.441  -4.462
   16    HD2  PRO   2           2HD      PRO   2 -10.541   0.306  -2.826
   17    HD3  PRO   2           1HD      PRO   2 -10.700  -1.452  -2.620
   18    H    LEU   3           H        LEU   3  -6.239  -2.836  -0.689
   19    HA   LEU   3           HA       LEU   3  -4.971  -0.767   0.903
   20    HG   LEU   3           HG       LEU   3  -3.650  -4.010  -0.401
   21    HB2  LEU   3           2HB      LEU   3  -3.450  -2.527   1.689
   22    HB3  LEU   3           1HB      LEU   3  -5.137  -2.910   1.971
   23   HD11  LEU   3          1HD1      LEU   3  -3.486  -6.099   1.072
   24   HD12  LEU   3          2HD1      LEU   3  -3.722  -5.002   2.433
   25   HD13  LEU   3          3HD1      LEU   3  -2.331  -4.801   1.369
   26   HD21  LEU   3          3HD2      LEU   3  -6.314  -4.275   0.724
   27   HD22  LEU   3          1HD2      LEU   3  -5.514  -5.832   0.518
   28   HD23  LEU   3          2HD2      LEU   3  -5.703  -4.753  -0.861
   29    H    LYS   4           H        LYS   4  -4.795  -1.769  -2.261
   30    HA   LYS   4           HA       LYS   4  -2.128  -1.964  -2.891
   31    HB2  LYS   4           2HB      LYS   4  -4.226  -0.498  -4.484
   32    HB3  LYS   4           1HB      LYS   4  -2.696  -1.101  -5.099
   33    HG2  LYS   4           2HG      LYS   4  -3.431  -3.400  -4.521
   34    HG3  LYS   4           1HG      LYS   4  -5.000  -2.731  -4.063
   35    HD2  LYS   4           2HD      LYS   4  -3.725  -2.566  -6.796
   36    HD3  LYS   4           1HD      LYS   4  -5.057  -3.627  -6.334
   37    HE2  LYS   4           2HE      LYS   4  -5.109  -0.611  -6.306
   38    HE3  LYS   4           1HE      LYS   4  -5.850  -1.641  -7.530
   39    HZ1  LYS   4           3HZ      LYS   4  -7.644  -1.810  -6.270
   40    HZ2  LYS   4           1HZ      LYS   4  -6.952  -0.777  -5.123
   41    HZ3  LYS   4           2HZ      LYS   4  -6.742  -2.451  -4.991
   42    H    GLN   5           H        GLN   5  -3.975   0.878  -2.152
   43    HA   GLN   5           HA       GLN   5  -1.920   2.726  -2.921
   44    HB2  GLN   5           2HB      GLN   5  -3.386   4.405  -1.825
   45    HB3  GLN   5           1HB      GLN   5  -4.198   3.446  -3.054
   46    HG2  GLN   5           2HG      GLN   5  -5.212   2.065  -1.325
   47    HG3  GLN   5           1HG      GLN   5  -4.376   2.998  -0.083
   48   HE21  GLN   5          1HE2      GLN   5  -7.249   2.584  -1.542
   49   HE22  GLN   5          2HE2      GLN   5  -7.939   4.169  -1.316
   50    H    TYR   6           H        TYR   6  -2.141   0.648  -0.361
   51    HA   TYR   6           HA       TYR   6  -0.989   2.467   1.600
   52    HD1  TYR   6           1HD      TYR   6  -3.842   0.975   0.702
   53    HD2  TYR   6           2HD      TYR   6  -2.466   1.131   4.723
   54    HE1  TYR   6           1HE      TYR   6  -6.061   1.751   1.425
   55    HE2  TYR   6           2HE      TYR   6  -4.681   1.901   5.459
   56    HH   TYR   6           HH       TYR   6  -6.730   3.256   4.018
   57    HB2  TYR   6           2HB      TYR   6  -1.748  -0.450   1.771
   58    HB3  TYR   6           1HB      TYR   6  -1.005   0.447   3.092
   59    H    TRP   7           H        TRP   7   0.039   0.170  -0.719
   60    HA   TRP   7           HA       TRP   7   2.534  -0.475   0.449
   61    HD1  TRP   7           HD       TRP   7  -0.864  -1.376  -1.554
   62    HE1  TRP   7           1HE      TRP   7  -1.733  -3.679  -0.784
   63    HE3  TRP   7           3HE      TRP   7   3.569  -3.533  -0.536
   64    HZ2  TRP   7           2HZ      TRP   7  -0.626  -6.120   0.161
   65    HZ3  TRP   7           3HZ      TRP   7   3.635  -5.859   0.311
   66    HH2  TRP   7           HH       TRP   7   1.568  -7.120   0.656
   67    HB2  TRP   7           2HB      TRP   7   1.685  -0.680  -2.443
   68    HB3  TRP   7           1HB      TRP   7   3.002  -1.555  -1.669
   69    H    TRP   8           H        TRP   8   2.528   2.052   0.782
   70    HA   TRP   8           HA       TRP   8   3.897   3.400  -1.407
   71    HD1  TRP   8           HD       TRP   8   3.787   5.797  -2.263
   72    HE1  TRP   8           1HE      TRP   8   4.943   8.081  -1.996
   73    HE3  TRP   8           3HE      TRP   8   3.855   6.086   2.843
   74    HZ2  TRP   8           2HZ      TRP   8   5.774   9.780   0.098
   75    HZ3  TRP   8           3HZ      TRP   8   4.848   8.075   3.898
   76    HH2  TRP   8           HH       TRP   8   5.788   9.882   2.553
   77    HB2  TRP   8           2HB      TRP   8   2.097   4.532  -0.158
   78    HB3  TRP   8           1HB      TRP   8   3.054   4.422   1.309
   79    H    ARG   9           H        ARG   9   4.454   2.090   1.788
   80    HA   ARG   9           HA       ARG   9   7.332   2.543   1.397
   81    HE   ARG   9           HE       ARG   9   9.052   4.408   3.574
   82    HB2  ARG   9           2HB      ARG   9   5.804   2.976   3.957
   83    HB3  ARG   9           1HB      ARG   9   7.557   2.987   3.825
   84    HG2  ARG   9           2HG      ARG   9   5.673   4.885   2.445
   85    HG3  ARG   9           1HG      ARG   9   6.657   5.246   3.866
   86    HD2  ARG   9           2HD      ARG   9   7.687   4.490   1.132
   87    HD3  ARG   9           1HD      ARG   9   7.689   6.110   1.826
   88   HH11  ARG   9          1HH1      ARG   9   9.413   5.746   0.372
   89   HH12  ARG   9          2HH1      ARG   9  11.143   5.714   0.417
   90   HH21  ARG   9          1HH2      ARG   9  11.330   4.365   3.637
   91   HH22  ARG   9          2HH2      ARG   9  12.233   4.929   2.269
   92    HA   PRO  10           HA       PRO  10   6.139  -1.699   3.428
   93    HB2  PRO  10           2HB      PRO  10   5.394  -3.287   1.388
   94    HB3  PRO  10           1HB      PRO  10   4.221  -2.302   2.278
   95    HG2  PRO  10           2HG      PRO  10   5.615  -1.671  -0.313
   96    HG3  PRO  10           1HG      PRO  10   3.880  -1.615   0.050
   97    HD2  PRO  10           2HD      PRO  10   5.345   0.619   0.118
   98    HD3  PRO  10           1HD      PRO  10   4.087   0.321   1.338
   99    H    SER  11           H        SER  11   7.562  -0.869   0.345
  100    HA   SER  11           HA       SER  11   9.267  -3.042  -0.015
  101    HG   SER  11           HG       SER  11   7.821  -1.332  -1.597
  102    HB2  SER  11           2HB      SER  11   9.738  -0.143  -0.750
  103    HB3  SER  11           1HB      SER  11  10.634  -1.517  -1.397
  104    H    ILE  12           H        ILE  12   9.310  -0.694   2.452
  105    HA   ILE  12           HA       ILE  12  12.048  -0.414   2.961
  106    HB   ILE  12           HB       ILE  12  10.309   0.955   4.047
  107   HG12  ILE  12          2HG1      ILE  12  12.578   0.782   5.047
  108   HG13  ILE  12          1HG1      ILE  12  11.329   1.111   6.240
  109   HG21  ILE  12          1HG2      ILE  12   8.682   0.160   5.378
  110   HG22  ILE  12          2HG2      ILE  12   9.731  -1.042   6.127
  111   HG23  ILE  12          3HG2      ILE  12   9.016  -1.359   4.547
  112   HD11  ILE  12          3HD1      ILE  12  13.051  -1.259   5.893
  113   HD12  ILE  12          1HD1      ILE  12  11.397  -1.546   6.433
  114   HD13  ILE  12          2HD1      ILE  12  12.457  -0.485   7.363
  Start of MODEL   14
    1    HA   HIS   1           HA       HIS   1 -10.913   2.177  -1.356
    2    HD1  HIS   1           1HD      HIS   1 -13.103   1.647  -0.170
    3    HD2  HIS   1           2HD      HIS   1 -12.872  -2.045  -2.062
    4    HE1  HIS   1           1HE      HIS   1 -14.316   0.044   1.339
    5    HE2  HIS   1           2HE      HIS   1 -14.088  -2.202   0.216
    6    H1   HIS   1           1HT      HIS   1 -10.492   1.814  -4.094
    7    H2   HIS   1           2HT      HIS   1  -8.997   1.714  -3.256
    8    H3   HIS   1           3HT      HIS   1 -10.000   3.092  -3.064
    9    HB2  HIS   1           2HB      HIS   1 -12.597   1.509  -2.991
   10    HB3  HIS   1           1HB      HIS   1 -11.716   0.027  -3.333
   11    HA   PRO   2           HA       PRO   2  -8.954  -2.339  -0.922
   12    HB2  PRO   2           2HB      PRO   2  -6.890  -2.658  -2.764
   13    HB3  PRO   2           1HB      PRO   2  -8.489  -3.403  -2.881
   14    HG2  PRO   2           2HG      PRO   2  -7.480  -0.876  -4.141
   15    HG3  PRO   2           1HG      PRO   2  -8.461  -2.173  -4.859
   16    HD2  PRO   2           2HD      PRO   2  -9.645   0.050  -4.101
   17    HD3  PRO   2           1HD      PRO   2 -10.376  -1.515  -3.688
   18    H    LEU   3           H        LEU   3  -6.378  -2.930  -0.888
   19    HA   LEU   3           HA       LEU   3  -5.259  -0.789   0.729
   20    HG   LEU   3           HG       LEU   3  -5.222  -4.400  -0.239
   21    HB2  LEU   3           2HB      LEU   3  -3.584  -2.480   1.419
   22    HB3  LEU   3           1HB      LEU   3  -5.241  -2.934   1.768
   23   HD11  LEU   3          1HD1      LEU   3  -2.846  -4.984  -1.042
   24   HD12  LEU   3          2HD1      LEU   3  -2.411  -3.394  -0.418
   25   HD13  LEU   3          3HD1      LEU   3  -3.627  -3.539  -1.687
   26   HD21  LEU   3          3HD2      LEU   3  -2.887  -5.326   1.305
   27   HD22  LEU   3          1HD2      LEU   3  -4.414  -6.136   0.954
   28   HD23  LEU   3          2HD2      LEU   3  -4.332  -4.928   2.237
   29    H    LYS   4           H        LYS   4  -5.266  -0.863  -2.323
   30    HA   LYS   4           HA       LYS   4  -2.712  -1.254  -3.322
   31    HB2  LYS   4           2HB      LYS   4  -4.715   0.837  -4.168
   32    HB3  LYS   4           1HB      LYS   4  -3.339   0.286  -5.110
   33    HG2  LYS   4           2HG      LYS   4  -5.643  -1.431  -4.239
   34    HG3  LYS   4           1HG      LYS   4  -5.439  -0.726  -5.847
   35    HD2  LYS   4           2HD      LYS   4  -3.315  -1.965  -6.082
   36    HD3  LYS   4           1HD      LYS   4  -3.600  -2.711  -4.507
   37    HE2  LYS   4           2HE      LYS   4  -5.374  -2.954  -6.929
   38    HE3  LYS   4           1HE      LYS   4  -4.261  -4.188  -6.339
   39    HZ1  LYS   4           3HZ      LYS   4  -6.868  -3.404  -5.326
   40    HZ2  LYS   4           1HZ      LYS   4  -5.697  -3.736  -4.150
   41    HZ3  LYS   4           2HZ      LYS   4  -6.104  -4.912  -5.295
   42    H    GLN   5           H        GLN   5  -3.925   1.259  -1.327
   43    HA   GLN   5           HA       GLN   5  -1.681   3.021  -1.874
   44    HB2  GLN   5           2HB      GLN   5  -2.774   4.479  -0.182
   45    HB3  GLN   5           1HB      GLN   5  -3.788   4.097  -1.567
   46    HG2  GLN   5           2HG      GLN   5  -4.965   2.419  -0.266
   47    HG3  GLN   5           1HG      GLN   5  -3.924   2.747   1.119
   48   HE21  GLN   5          1HE2      GLN   5  -4.857   3.937   2.604
   49   HE22  GLN   5          2HE2      GLN   5  -6.032   5.194   2.329
   50    H    TYR   6           H        TYR   6  -1.855   0.277  -0.247
   51    HA   TYR   6           HA       TYR   6  -0.584   1.188   2.200
   52    HD1  TYR   6           1HD      TYR   6  -3.517   0.291   1.153
   53    HD2  TYR   6           2HD      TYR   6  -1.773  -1.378   4.653
   54    HE1  TYR   6           1HE      TYR   6  -5.593   0.738   2.394
   55    HE2  TYR   6           2HE      TYR   6  -3.845  -0.942   5.903
   56    HH   TYR   6           HH       TYR   6  -6.367   1.018   4.650
   57    HB2  TYR   6           2HB      TYR   6  -1.446  -1.537   1.261
   58    HB3  TYR   6           1HB      TYR   6  -0.517  -1.295   2.737
   59    H    TRP   7           H        TRP   7   0.273  -0.184  -0.843
   60    HA   TRP   7           HA       TRP   7   2.956  -0.773   0.087
   61    HD1  TRP   7           HD       TRP   7  -0.500  -1.511  -2.073
   62    HE1  TRP   7           1HE      TRP   7  -1.320  -0.921  -4.461
   63    HE3  TRP   7           3HE      TRP   7   3.989  -0.751  -4.238
   64    HZ2  TRP   7           2HZ      TRP   7  -0.154  -0.197  -6.950
   65    HZ3  TRP   7           3HZ      TRP   7   4.105  -0.101  -6.625
   66    HH2  TRP   7           HH       TRP   7   2.064   0.174  -7.947
   67    HB2  TRP   7           2HB      TRP   7   3.357  -1.639  -2.193
   68    HB3  TRP   7           1HB      TRP   7   2.043  -2.447  -1.345
   69    H    TRP   8           H        TRP   8   2.772   1.707   0.508
   70    HA   TRP   8           HA       TRP   8   3.608   3.244  -1.830
   71    HD1  TRP   8           HD       TRP   8   2.995   5.608  -2.603
   72    HE1  TRP   8           1HE      TRP   8   3.927   8.005  -2.505
   73    HE3  TRP   8           3HE      TRP   8   4.028   5.874   2.396
   74    HZ2  TRP   8           2HZ      TRP   8   4.963   9.775  -0.565
   75    HZ3  TRP   8           3HZ      TRP   8   4.989   7.953   3.294
   76    HH2  TRP   8           HH       TRP   8   5.446   9.862   1.842
   77    HB2  TRP   8           2HB      TRP   8   1.896   4.147  -0.272
   78    HB3  TRP   8           1HB      TRP   8   3.100   4.152   1.007
   79    H    ARG   9           H        ARG   9   4.863   1.861   1.086
   80    HA   ARG   9           HA       ARG   9   7.552   2.432   0.268
   81    HE   ARG   9           HE       ARG   9   9.630   4.821   1.731
   82    HB2  ARG   9           2HB      ARG   9   6.508   3.567   2.854
   83    HB3  ARG   9           1HB      ARG   9   8.210   3.460   2.436
   84    HG2  ARG   9           2HG      ARG   9   6.141   5.016   0.899
   85    HG3  ARG   9           1HG      ARG   9   7.281   5.695   2.060
   86    HD2  ARG   9           2HD      ARG   9   8.020   4.241  -0.477
   87    HD3  ARG   9           1HD      ARG   9   8.042   5.990  -0.254
   88   HH11  ARG   9          1HH1      ARG   9   9.621   5.271  -1.729
   89   HH12  ARG   9          2HH1      ARG   9  11.347   5.266  -1.862
   90   HH21  ARG   9          1HH2      ARG   9  11.902   4.815   1.560
   91   HH22  ARG   9          2HH2      ARG   9  12.642   5.007   0.006
   92    HA   PRO  10           HA       PRO  10   7.654  -0.754   3.740
   93    HB2  PRO  10           2HB      PRO  10   5.370  -1.147   5.240
   94    HB3  PRO  10           1HB      PRO  10   6.656  -0.008   5.641
   95    HG2  PRO  10           2HG      PRO  10   3.964   0.567   4.825
   96    HG3  PRO  10           1HG      PRO  10   5.238   1.709   5.275
   97    HD2  PRO  10           2HD      PRO  10   4.306   0.882   2.609
   98    HD3  PRO  10           1HD      PRO  10   5.200   2.338   3.077
   99    H    SER  11           H        SER  11   4.193  -0.993   2.868
  100    HA   SER  11           HA       SER  11   4.332  -3.820   2.564
  101    HG   SER  11           HG       SER  11   2.631  -2.018   3.905
  102    HB2  SER  11           2HB      SER  11   2.237  -1.875   1.566
  103    HB3  SER  11           1HB      SER  11   2.055  -3.626   1.645
  104    H    ILE  12           H        ILE  12   5.975  -1.747   0.830
  105    HA   ILE  12           HA       ILE  12   5.301  -1.959  -1.837
  106    HB   ILE  12           HB       ILE  12   7.145  -0.564  -1.053
  107   HG12  ILE  12          2HG1      ILE  12   8.768  -1.063  -2.848
  108   HG13  ILE  12          1HG1      ILE  12   8.034  -2.649  -3.061
  109   HG21  ILE  12          1HG2      ILE  12   9.050  -1.317  -0.059
  110   HG22  ILE  12          2HG2      ILE  12   9.010  -2.868  -0.899
  111   HG23  ILE  12          3HG2      ILE  12   7.939  -2.580   0.472
  112   HD11  ILE  12          3HD1      ILE  12   7.258  -1.149  -4.769
  113   HD12  ILE  12          1HD1      ILE  12   6.725   0.012  -3.555
  114   HD13  ILE  12          2HD1      ILE  12   5.923  -1.552  -3.689
  Start of MODEL   15
    1    HA   HIS   1           HA       HIS   1 -10.435  -1.473  -4.534
    2    HD1  HIS   1           1HD      HIS   1  -8.691   1.291  -2.116
    3    HD2  HIS   1           2HD      HIS   1 -10.709   3.293  -5.147
    4    HE1  HIS   1           1HE      HIS   1  -8.966   3.652  -1.295
    5    HE2  HIS   1           2HE      HIS   1 -10.272   4.819  -3.105
    6    H1   HIS   1           1HT      HIS   1 -12.396  -1.008  -3.449
    7    H2   HIS   1           2HT      HIS   1 -12.181   0.256  -4.590
    8    H3   HIS   1           3HT      HIS   1 -11.851   0.532  -2.929
    9    HB2  HIS   1           2HB      HIS   1  -8.661   0.240  -4.774
   10    HB3  HIS   1           1HB      HIS   1 -10.147   0.700  -5.595
   11    HA   PRO   2           HA       PRO   2  -8.928  -2.646  -0.528
   12    HB2  PRO   2           2HB      PRO   2  -6.572  -3.789  -1.297
   13    HB3  PRO   2           1HB      PRO   2  -8.142  -4.569  -1.530
   14    HG2  PRO   2           2HG      PRO   2  -6.552  -2.912  -3.473
   15    HG3  PRO   2           1HG      PRO   2  -7.283  -4.516  -3.718
   16    HD2  PRO   2           2HD      PRO   2  -8.551  -2.365  -4.592
   17    HD3  PRO   2           1HD      PRO   2  -9.444  -3.648  -3.749
   18    H    LEU   3           H        LEU   3  -6.318  -2.808   0.185
   19    HA   LEU   3           HA       LEU   3  -5.613  -0.008   0.498
   20    HG   LEU   3           HG       LEU   3  -5.464  -3.490   1.802
   21    HB2  LEU   3           2HB      LEU   3  -3.961  -0.895   2.176
   22    HB3  LEU   3           1HB      LEU   3  -5.657  -1.144   2.555
   23   HD11  LEU   3          1HD1      LEU   3  -3.124  -4.390   1.553
   24   HD12  LEU   3          2HD1      LEU   3  -2.595  -2.719   1.357
   25   HD13  LEU   3          3HD1      LEU   3  -3.730  -3.426   0.206
   26   HD21  LEU   3          3HD2      LEU   3  -3.730  -4.129   3.650
   27   HD22  LEU   3          1HD2      LEU   3  -5.256  -3.361   4.085
   28   HD23  LEU   3          2HD2      LEU   3  -3.779  -2.402   4.006
   29    H    LYS   4           H        LYS   4  -5.157  -1.187  -2.056
   30    HA   LYS   4           HA       LYS   4  -2.458  -1.923  -2.414
   31    HB2  LYS   4           2HB      LYS   4  -4.113  -2.499  -4.068
   32    HB3  LYS   4           1HB      LYS   4  -4.511  -0.807  -4.310
   33    HG2  LYS   4           2HG      LYS   4  -3.238  -1.440  -6.172
   34    HG3  LYS   4           1HG      LYS   4  -2.158  -0.493  -5.153
   35    HD2  LYS   4           2HD      LYS   4  -2.244  -3.510  -5.218
   36    HD3  LYS   4           1HD      LYS   4  -1.111  -2.525  -6.138
   37    HE2  LYS   4           2HE      LYS   4  -0.288  -1.579  -3.987
   38    HE3  LYS   4           1HE      LYS   4  -1.337  -2.714  -3.141
   39    HZ1  LYS   4           3HZ      LYS   4  -0.144  -4.543  -4.061
   40    HZ2  LYS   4           1HZ      LYS   4   0.979  -3.485  -3.363
   41    HZ3  LYS   4           2HZ      LYS   4   0.784  -3.525  -5.044
   42    H    GLN   5           H        GLN   5  -3.971   1.100  -1.919
   43    HA   GLN   5           HA       GLN   5  -1.810   2.605  -3.140
   44    HB2  GLN   5           2HB      GLN   5  -3.111   4.592  -2.464
   45    HB3  GLN   5           1HB      GLN   5  -4.034   3.466  -3.451
   46    HG2  GLN   5           2HG      GLN   5  -5.120   2.593  -1.460
   47    HG3  GLN   5           1HG      GLN   5  -4.182   3.694  -0.455
   48   HE21  GLN   5          1HE2      GLN   5  -4.846   5.343  -3.235
   49   HE22  GLN   5          2HE2      GLN   5  -6.308   6.147  -2.741
   50    H    TYR   6           H        TYR   6  -2.198   1.097  -0.245
   51    HA   TYR   6           HA       TYR   6  -0.933   3.161   1.366
   52    HD1  TYR   6           1HD      TYR   6  -2.245   3.483   3.989
   53    HD2  TYR   6           2HD      TYR   6  -4.163   0.924   1.199
   54    HE1  TYR   6           1HE      TYR   6  -4.378   4.633   4.416
   55    HE2  TYR   6           2HE      TYR   6  -6.313   2.043   1.631
   56    HH   TYR   6           HH       TYR   6  -6.533   4.992   3.305
   57    HB2  TYR   6           2HB      TYR   6  -1.964   0.405   2.005
   58    HB3  TYR   6           1HB      TYR   6  -1.161   1.439   3.186
   59    H    TRP   7           H        TRP   7   0.051   0.510  -0.540
   60    HA   TRP   7           HA       TRP   7   2.394  -0.170   0.880
   61    HD1  TRP   7           HD       TRP   7  -0.844  -0.958  -1.447
   62    HE1  TRP   7           1HE      TRP   7  -2.028  -3.111  -0.682
   63    HE3  TRP   7           3HE      TRP   7   3.186  -3.454   0.248
   64    HZ2  TRP   7           2HZ      TRP   7  -1.306  -5.578   0.535
   65    HZ3  TRP   7           3HZ      TRP   7   2.908  -5.713   1.221
   66    HH2  TRP   7           HH       TRP   7   0.696  -6.746   1.362
   67    HB2  TRP   7           2HB      TRP   7   1.858  -0.593  -2.060
   68    HB3  TRP   7           1HB      TRP   7   2.965  -1.502  -1.035
   69    H    TRP   8           H        TRP   8   2.557   2.368   0.984
   70    HA   TRP   8           HA       TRP   8   3.907   3.622  -1.195
   71    HD1  TRP   8           HD       TRP   8   3.986   6.063  -1.838
   72    HE1  TRP   8           1HE      TRP   8   5.468   8.158  -1.645
   73    HE3  TRP   8           3HE      TRP   8   5.004   5.879   3.170
   74    HZ2  TRP   8           2HZ      TRP   8   6.879   9.550   0.364
   75    HZ3  TRP   8           3HZ      TRP   8   6.428   7.631   4.148
   76    HH2  TRP   8           HH       TRP   8   7.345   9.427   2.773
   77    HB2  TRP   8           2HB      TRP   8   2.544   4.832   0.476
   78    HB3  TRP   8           1HB      TRP   8   3.741   4.457   1.704
   79    H    ARG   9           H        ARG   9   4.913   2.076   1.827
   80    HA   ARG   9           HA       ARG   9   7.655   2.081   0.785
   81    HE   ARG   9           HE       ARG   9  10.107   3.792   2.455
   82    HB2  ARG   9           2HB      ARG   9   6.859   2.910   3.567
   83    HB3  ARG   9           1HB      ARG   9   8.515   2.615   3.054
   84    HG2  ARG   9           2HG      ARG   9   6.677   4.690   1.882
   85    HG3  ARG   9           1HG      ARG   9   7.948   4.999   3.067
   86    HD2  ARG   9           2HD      ARG   9   8.344   3.883   0.291
   87    HD3  ARG   9           1HD      ARG   9   8.679   5.539   0.794
   88   HH11  ARG   9          1HH1      ARG   9  10.060   4.857  -0.869
   89   HH12  ARG   9          2HH1      ARG   9  11.755   4.592  -1.108
   90   HH21  ARG   9          1HH2      ARG   9  12.336   3.445   2.142
   91   HH22  ARG   9          2HH2      ARG   9  13.047   3.792   0.602
   92    HA   PRO  10           HA       PRO  10   6.687  -1.794   3.557
   93    HB2  PRO  10           2HB      PRO  10   4.946  -3.374   2.251
   94    HB3  PRO  10           1HB      PRO  10   4.401  -2.140   3.396
   95    HG2  PRO  10           2HG      PRO  10   4.587  -1.978   0.402
   96    HG3  PRO  10           1HG      PRO  10   3.224  -1.552   1.457
   97    HD2  PRO  10           2HD      PRO  10   4.899   0.332   0.522
   98    HD3  PRO  10           1HD      PRO  10   4.219   0.419   2.163
   99    H    SER  11           H        SER  11   6.963  -1.327   0.126
  100    HA   SER  11           HA       SER  11   8.043  -3.886  -0.496
  101    HG   SER  11           HG       SER  11   6.404  -3.409  -2.055
  102    HB2  SER  11           2HB      SER  11   8.243  -1.265  -1.997
  103    HB3  SER  11           1HB      SER  11   8.679  -2.845  -2.646
  104    H    ILE  12           H        ILE  12   9.317  -1.456   1.356
  105    HA   ILE  12           HA       ILE  12  12.074  -2.211   0.631
  106    HB   ILE  12           HB       ILE  12  11.132   0.406   1.818
  107   HG12  ILE  12          2HG1      ILE  12  12.016   1.368  -0.307
  108   HG13  ILE  12          1HG1      ILE  12  12.282  -0.268  -0.900
  109   HG21  ILE  12          1HG2      ILE  12  13.299  -0.266   2.715
  110   HG22  ILE  12          2HG2      ILE  12  13.460   1.123   1.640
  111   HG23  ILE  12          3HG2      ILE  12  13.917  -0.485   1.078
  112   HD11  ILE  12          3HD1      ILE  12  10.057   1.215  -1.346
  113   HD12  ILE  12          1HD1      ILE  12   9.560   0.241   0.036
  114   HD13  ILE  12          2HD1      ILE  12  10.132  -0.545  -1.435
  Start of MODEL   16
    1    HA   HIS   1           HA       HIS   1 -10.894   0.231  -4.030
    2    HD1  HIS   1           1HD      HIS   1 -12.036   3.161  -1.561
    3    HD2  HIS   1           2HD      HIS   1  -7.918   3.502  -2.006
    4    HE1  HIS   1           1HE      HIS   1 -11.271   4.610   0.345
    5    HE2  HIS   1           2HE      HIS   1  -8.764   4.707   0.121
    6    H1   HIS   1           1HT      HIS   1 -12.578   1.788  -2.993
    7    H2   HIS   1           2HT      HIS   1 -12.004   1.173  -1.499
    8    H3   HIS   1           3HT      HIS   1 -12.677   0.110  -2.666
    9    HB2  HIS   1           2HB      HIS   1  -9.203   2.025  -3.852
   10    HB3  HIS   1           1HB      HIS   1 -10.818   2.673  -4.123
   11    HA   PRO   2           HA       PRO   2  -8.907  -2.472  -1.074
   12    HB2  PRO   2           2HB      PRO   2  -6.653  -2.919  -2.658
   13    HB3  PRO   2           1HB      PRO   2  -8.151  -3.855  -2.717
   14    HG2  PRO   2           2HG      PRO   2  -7.293  -1.544  -4.422
   15    HG3  PRO   2           1HG      PRO   2  -8.084  -3.061  -4.905
   16    HD2  PRO   2           2HD      PRO   2  -9.544  -0.882  -4.715
   17    HD3  PRO   2           1HD      PRO   2 -10.140  -2.398  -4.001
   18    H    LEU   3           H        LEU   3  -6.507  -2.767  -0.437
   19    HA   LEU   3           HA       LEU   3  -5.623  -0.167   0.522
   20    HG   LEU   3           HG       LEU   3  -5.476  -3.890   0.845
   21    HB2  LEU   3           2HB      LEU   3  -4.138  -1.453   2.022
   22    HB3  LEU   3           1HB      LEU   3  -5.835  -1.844   2.210
   23   HD11  LEU   3          1HD1      LEU   3  -2.653  -2.891   0.865
   24   HD12  LEU   3          2HD1      LEU   3  -3.619  -3.470  -0.493
   25   HD13  LEU   3          3HD1      LEU   3  -3.016  -4.609   0.710
   26   HD21  LEU   3          3HD2      LEU   3  -3.799  -4.886   2.667
   27   HD22  LEU   3          1HD2      LEU   3  -5.483  -4.502   3.024
   28   HD23  LEU   3          2HD2      LEU   3  -4.207  -3.367   3.463
   29    H    LYS   4           H        LYS   4  -5.147  -1.244  -2.282
   30    HA   LYS   4           HA       LYS   4  -2.491  -1.900  -2.692
   31    HB2  LYS   4           2HB      LYS   4  -4.251  -0.219  -4.470
   32    HB3  LYS   4           1HB      LYS   4  -2.774  -1.038  -4.956
   33    HG2  LYS   4           2HG      LYS   4  -3.818  -3.196  -4.437
   34    HG3  LYS   4           1HG      LYS   4  -5.304  -2.347  -4.002
   35    HD2  LYS   4           2HD      LYS   4  -5.509  -1.491  -6.264
   36    HD3  LYS   4           1HD      LYS   4  -3.979  -2.250  -6.713
   37    HE2  LYS   4           2HE      LYS   4  -4.939  -4.450  -6.260
   38    HE3  LYS   4           1HE      LYS   4  -6.464  -3.696  -5.804
   39    HZ1  LYS   4           3HZ      LYS   4  -6.320  -2.677  -8.158
   40    HZ2  LYS   4           1HZ      LYS   4  -6.831  -4.281  -7.983
   41    HZ3  LYS   4           2HZ      LYS   4  -5.247  -3.945  -8.470
   42    H    GLN   5           H        GLN   5  -3.892   1.138  -1.897
   43    HA   GLN   5           HA       GLN   5  -1.499   2.615  -2.623
   44    HB2  GLN   5           2HB      GLN   5  -2.778   4.565  -1.765
   45    HB3  GLN   5           1HB      GLN   5  -3.569   3.706  -3.078
   46    HG2  GLN   5           2HG      GLN   5  -5.028   2.584  -1.494
   47    HG3  GLN   5           1HG      GLN   5  -4.216   3.398  -0.155
   48   HE21  GLN   5          1HE2      GLN   5  -5.304   5.043   0.623
   49   HE22  GLN   5          2HE2      GLN   5  -6.360   6.098  -0.275
   50    H    TYR   6           H        TYR   6  -2.096   0.623  -0.186
   51    HA   TYR   6           HA       TYR   6  -1.174   2.357   1.957
   52    HD1  TYR   6           1HD      TYR   6  -3.953   1.058   0.763
   53    HD2  TYR   6           2HD      TYR   6  -2.950   0.932   4.893
   54    HE1  TYR   6           1HE      TYR   6  -6.190   1.913   1.326
   55    HE2  TYR   6           2HE      TYR   6  -5.184   1.782   5.469
   56    HH   TYR   6           HH       TYR   6  -7.327   3.055   3.121
   57    HB2  TYR   6           2HB      TYR   6  -2.035  -0.527   1.934
   58    HB3  TYR   6           1HB      TYR   6  -1.376   0.264   3.362
   59    H    TRP   7           H        TRP   7   0.096   0.018  -0.223
   60    HA   TRP   7           HA       TRP   7   2.527  -0.235   1.334
   61    HD1  TRP   7           HD       TRP   7  -0.550  -1.654  -1.050
   62    HE1  TRP   7           1HE      TRP   7  -0.898  -1.938  -3.605
   63    HE3  TRP   7           3HE      TRP   7   4.288  -1.748  -2.457
   64    HZ2  TRP   7           2HZ      TRP   7   0.733  -2.151  -5.925
   65    HZ3  TRP   7           3HZ      TRP   7   4.866  -1.984  -4.854
   66    HH2  TRP   7           HH       TRP   7   3.114  -2.176  -6.550
   67    HB2  TRP   7           2HB      TRP   7   3.250  -1.849  -0.394
   68    HB3  TRP   7           1HB      TRP   7   1.756  -2.301   0.418
   69    H    TRP   8           H        TRP   8   2.503   2.196   0.894
   70    HA   TRP   8           HA       TRP   8   3.530   3.040  -1.639
   71    HD1  TRP   8           HD       TRP   8   3.429   5.285  -2.787
   72    HE1  TRP   8           1HE      TRP   8   4.751   7.465  -3.145
   73    HE3  TRP   8           3HE      TRP   8   4.714   6.265   2.066
   74    HZ2  TRP   8           2HZ      TRP   8   6.151   9.350  -1.579
   75    HZ3  TRP   8           3HZ      TRP   8   6.043   8.278   2.550
   76    HH2  TRP   8           HH       TRP   8   6.746   9.788   0.765
   77    HB2  TRP   8           2HB      TRP   8   2.207   4.505  -0.169
   78    HB3  TRP   8           1HB      TRP   8   3.496   4.473   1.022
   79    H    ARG   9           H        ARG   9   4.924   2.297   1.530
   80    HA   ARG   9           HA       ARG   9   7.558   2.244   0.235
   81    HE   ARG   9           HE       ARG   9  10.182   3.681  -0.016
   82    HB2  ARG   9           2HB      ARG   9   6.935   3.632   2.833
   83    HB3  ARG   9           1HB      ARG   9   8.559   3.332   2.230
   84    HG2  ARG   9           2HG      ARG   9   6.461   4.979   0.835
   85    HG3  ARG   9           1HG      ARG   9   7.805   5.617   1.781
   86    HD2  ARG   9           2HD      ARG   9   8.038   3.932  -0.711
   87    HD3  ARG   9           1HD      ARG   9   8.283   5.675  -0.622
   88   HH11  ARG   9          1HH1      ARG   9   9.075   6.810   1.064
   89   HH12  ARG   9          2HH1      ARG   9  10.575   7.216   1.825
   90   HH21  ARG   9          1HH2      ARG   9  12.159   4.221   0.976
   91   HH22  ARG   9          2HH2      ARG   9  12.326   5.749   1.772
   92    HA   PRO  10           HA       PRO  10   7.017  -0.964   3.857
   93    HB2  PRO  10           2HB      PRO  10   5.517  -2.978   2.861
   94    HB3  PRO  10           1HB      PRO  10   4.810  -1.628   3.760
   95    HG2  PRO  10           2HG      PRO  10   5.031  -1.997   0.788
   96    HG3  PRO  10           1HG      PRO  10   3.611  -1.546   1.753
   97    HD2  PRO  10           2HD      PRO  10   5.054   0.324   0.482
   98    HD3  PRO  10           1HD      PRO  10   4.378   0.621   2.100
   99    H    SER  11           H        SER  11   7.361  -1.194   0.408
  100    HA   SER  11           HA       SER  11   8.712  -3.676   0.290
  101    HG   SER  11           HG       SER  11   8.555  -0.817  -2.593
  102    HB2  SER  11           2HB      SER  11   9.429  -2.934  -1.957
  103    HB3  SER  11           1HB      SER  11   7.706  -2.667  -1.696
  104    H    ILE  12           H        ILE  12   9.683  -0.792   1.691
  105    HA   ILE  12           HA       ILE  12  11.663  -0.071   2.550
  106    HB   ILE  12           HB       ILE  12  12.675  -2.811   1.772
  107   HG12  ILE  12          2HG1      ILE  12  10.778  -2.920   3.317
  108   HG13  ILE  12          1HG1      ILE  12  12.270  -3.386   4.130
  109   HG21  ILE  12          1HG2      ILE  12  14.490  -1.223   2.119
  110   HG22  ILE  12          2HG2      ILE  12  14.436  -2.411   3.422
  111   HG23  ILE  12          3HG2      ILE  12  13.817  -0.782   3.687
  112   HD11  ILE  12          3HD1      ILE  12  12.135  -0.695   4.618
  113   HD12  ILE  12          1HD1      ILE  12  11.634  -1.974   5.724
  114   HD13  ILE  12          2HD1      ILE  12  10.445  -1.194   4.682
  Start of MODEL   17
    1    HA   HIS   1           HA       HIS   1 -11.573   0.896  -2.592
    2    HD1  HIS   1           1HD      HIS   1 -11.627   3.450   0.476
    3    HD2  HIS   1           2HD      HIS   1  -7.856   3.732  -1.246
    4    HE1  HIS   1           1HE      HIS   1 -10.183   4.574   2.200
    5    HE2  HIS   1           2HE      HIS   1  -7.884   4.642   1.174
    6    H1   HIS   1           1HT      HIS   1 -12.694   2.283  -0.838
    7    H2   HIS   1           2HT      HIS   1 -11.664   1.474   0.273
    8    H3   HIS   1           3HT      HIS   1 -12.758   0.576  -0.699
    9    HB2  HIS   1           2HB      HIS   1  -9.779   2.601  -2.752
   10    HB3  HIS   1           1HB      HIS   1 -11.345   3.312  -2.374
   11    HA   PRO   2           HA       PRO   2  -8.812  -2.321  -1.322
   12    HB2  PRO   2           2HB      PRO   2  -6.899  -1.838  -3.337
   13    HB3  PRO   2           1HB      PRO   2  -8.258  -2.962  -3.419
   14    HG2  PRO   2           2HG      PRO   2  -8.067  -0.144  -4.392
   15    HG3  PRO   2           1HG      PRO   2  -8.856  -1.547  -5.143
   16    HD2  PRO   2           2HD      PRO   2 -10.356   0.249  -3.938
   17    HD3  PRO   2           1HD      PRO   2 -10.648  -1.481  -3.624
   18    H    LEU   3           H        LEU   3  -6.623  -2.683  -0.747
   19    HA   LEU   3           HA       LEU   3  -5.498  -0.356   0.583
   20    HG   LEU   3           HG       LEU   3  -5.662  -4.070   0.308
   21    HB2  LEU   3           2HB      LEU   3  -4.067  -1.976   1.780
   22    HB3  LEU   3           1HB      LEU   3  -5.786  -2.251   1.996
   23   HD11  LEU   3          1HD1      LEU   3  -3.256  -4.946  -0.035
   24   HD12  LEU   3          2HD1      LEU   3  -2.779  -3.284   0.314
   25   HD13  LEU   3          3HD1      LEU   3  -3.843  -3.629  -1.050
   26   HD21  LEU   3          3HD2      LEU   3  -5.130  -4.172   2.934
   27   HD22  LEU   3          1HD2      LEU   3  -3.621  -4.827   2.299
   28   HD23  LEU   3          2HD2      LEU   3  -5.156  -5.596   1.895
   29    H    LYS   4           H        LYS   4  -5.109  -1.339  -2.415
   30    HA   LYS   4           HA       LYS   4  -2.439  -1.933  -2.805
   31    HB2  LYS   4           2HB      LYS   4  -4.130  -0.169  -4.573
   32    HB3  LYS   4           1HB      LYS   4  -2.653  -0.997  -5.040
   33    HG2  LYS   4           2HG      LYS   4  -3.801  -3.157  -4.545
   34    HG3  LYS   4           1HG      LYS   4  -5.286  -2.235  -4.307
   35    HD2  LYS   4           2HD      LYS   4  -3.651  -2.392  -6.837
   36    HD3  LYS   4           1HD      LYS   4  -5.229  -3.128  -6.559
   37    HE2  LYS   4           2HE      LYS   4  -4.609  -0.177  -6.619
   38    HE3  LYS   4           1HE      LYS   4  -5.464  -1.094  -7.859
   39    HZ1  LYS   4           3HZ      LYS   4  -7.008   0.093  -6.456
   40    HZ2  LYS   4           1HZ      LYS   4  -6.381  -0.653  -5.073
   41    HZ3  LYS   4           2HZ      LYS   4  -7.200  -1.572  -6.234
   42    H    GLN   5           H        GLN   5  -3.876   1.031  -1.852
   43    HA   GLN   5           HA       GLN   5  -1.530   2.606  -2.487
   44    HB2  GLN   5           2HB      GLN   5  -2.811   4.438  -1.398
   45    HB3  GLN   5           1HB      GLN   5  -3.629   3.694  -2.766
   46    HG2  GLN   5           2HG      GLN   5  -5.019   2.397  -1.256
   47    HG3  GLN   5           1HG      GLN   5  -4.175   3.087   0.131
   48   HE21  GLN   5          1HE2      GLN   5  -5.272   4.614   1.107
   49   HE22  GLN   5          2HE2      GLN   5  -6.366   5.742   0.351
   50    H    TYR   6           H        TYR   6  -2.021   0.395  -0.197
   51    HA   TYR   6           HA       TYR   6  -1.035   1.966   2.040
   52    HD1  TYR   6           1HD      TYR   6  -3.883   0.732   0.924
   53    HD2  TYR   6           2HD      TYR   6  -2.588   0.296   4.949
   54    HE1  TYR   6           1HE      TYR   6  -6.074   1.527   1.709
   55    HE2  TYR   6           2HE      TYR   6  -4.777   1.082   5.748
   56    HH   TYR   6           HH       TYR   6  -6.982   2.644   3.824
   57    HB2  TYR   6           2HB      TYR   6  -1.884  -0.912   1.815
   58    HB3  TYR   6           1HB      TYR   6  -1.133  -0.257   3.267
   59    H    TRP   7           H        TRP   7   0.153  -0.216  -0.346
   60    HA   TRP   7           HA       TRP   7   2.665  -0.513   1.075
   61    HD1  TRP   7           HD       TRP   7  -0.498  -1.836  -1.258
   62    HE1  TRP   7           1HE      TRP   7  -0.946  -1.973  -3.811
   63    HE3  TRP   7           3HE      TRP   7   4.277  -1.763  -2.864
   64    HZ2  TRP   7           2HZ      TRP   7   0.587  -2.014  -6.202
   65    HZ3  TRP   7           3HZ      TRP   7   4.758  -1.842  -5.291
   66    HH2  TRP   7           HH       TRP   7   2.938  -1.961  -6.924
   67    HB2  TRP   7           2HB      TRP   7   3.326  -2.015  -0.768
   68    HB3  TRP   7           1HB      TRP   7   1.870  -2.533   0.072
   69    H    TRP   8           H        TRP   8   2.560   1.954   0.761
   70    HA   TRP   8           HA       TRP   8   3.700   2.779  -1.782
   71    HD1  TRP   8           HD       TRP   8   3.439   4.904  -3.159
   72    HE1  TRP   8           1HE      TRP   8   4.528   7.205  -3.539
   73    HE3  TRP   8           3HE      TRP   8   3.906   6.397   1.709
   74    HZ2  TRP   8           2HZ      TRP   8   5.457   9.369  -1.982
   75    HZ3  TRP   8           3HZ      TRP   8   4.902   8.596   2.177
   76    HH2  TRP   8           HH       TRP   8   5.663  10.050   0.370
   77    HB2  TRP   8           2HB      TRP   8   1.971   4.149  -0.684
   78    HB3  TRP   8           1HB      TRP   8   3.046   4.400   0.684
   79    H    ARG   9           H        ARG   9   4.626   2.310   1.572
   80    HA   ARG   9           HA       ARG   9   7.416   2.809   0.782
   81    HE   ARG   9           HE       ARG   9   7.260   4.162  -0.286
   82    HB2  ARG   9           2HB      ARG   9   6.086   3.644   3.354
   83    HB3  ARG   9           1HB      ARG   9   7.816   3.717   3.067
   84    HG2  ARG   9           2HG      ARG   9   5.798   5.185   1.391
   85    HG3  ARG   9           1HG      ARG   9   6.581   5.879   2.807
   86    HD2  ARG   9           2HD      ARG   9   7.782   6.618   0.888
   87    HD3  ARG   9           1HD      ARG   9   8.782   5.427   1.712
   88   HH11  ARG   9          1HH1      ARG   9   9.948   6.354   0.067
   89   HH12  ARG   9          2HH1      ARG   9  10.684   5.889  -1.431
   90   HH21  ARG   9          1HH2      ARG   9   8.222   3.550  -2.255
   91   HH22  ARG   9          2HH2      ARG   9   9.703   4.298  -2.748
   92    HA   PRO  10           HA       PRO  10   6.944  -0.968   3.780
   93    HB2  PRO  10           2HB      PRO  10   5.891  -3.007   2.378
   94    HB3  PRO  10           1HB      PRO  10   4.870  -1.880   3.284
   95    HG2  PRO  10           2HG      PRO  10   5.561  -1.862   0.360
   96    HG3  PRO  10           1HG      PRO  10   3.971  -1.721   1.128
   97    HD2  PRO  10           2HD      PRO  10   5.307   0.457   0.282
   98    HD3  PRO  10           1HD      PRO  10   4.329   0.484   1.765
   99    H    SER  11           H        SER  11   7.655  -0.699   0.388
  100    HA   SER  11           HA       SER  11   9.247  -2.867  -0.127
  101    HG   SER  11           HG       SER  11   9.124   0.640  -0.356
  102    HB2  SER  11           2HB      SER  11  10.446  -1.443  -1.749
  103    HB3  SER  11           1HB      SER  11   8.704  -1.183  -1.817
  104    H    ILE  12           H        ILE  12   9.886  -0.293   2.088
  105    HA   ILE  12           HA       ILE  12  12.676  -0.305   2.169
  106    HB   ILE  12           HB       ILE  12  11.347   1.362   3.356
  107   HG12  ILE  12          2HG1      ILE  12  12.614   1.402   5.476
  108   HG13  ILE  12          1HG1      ILE  12  13.077  -0.278   5.223
  109   HG21  ILE  12          1HG2      ILE  12   9.732  -0.588   4.146
  110   HG22  ILE  12          2HG2      ILE  12   9.864   0.935   5.026
  111   HG23  ILE  12          3HG2      ILE  12  10.738  -0.490   5.591
  112   HD11  ILE  12          3HD1      ILE  12  14.892   1.176   4.617
  113   HD12  ILE  12          1HD1      ILE  12  13.849   2.071   3.512
  114   HD13  ILE  12          2HD1      ILE  12  14.258   0.391   3.170
  Start of MODEL   18
    1    HA   HIS   1           HA       HIS   1  -9.846   1.212  -3.394
    2    HD1  HIS   1           1HD      HIS   1 -10.091   3.424  -4.596
    3    HD2  HIS   1           2HD      HIS   1 -12.910   4.288  -1.669
    4    HE1  HIS   1           1HE      HIS   1 -11.745   4.968  -5.692
    5    HE2  HIS   1           2HE      HIS   1 -13.503   5.382  -3.934
    6    H1   HIS   1           1HT      HIS   1 -12.094   0.597  -1.598
    7    H2   HIS   1           2HT      HIS   1 -11.600  -0.289  -2.981
    8    H3   HIS   1           3HT      HIS   1 -12.232   1.297  -3.156
    9    HB2  HIS   1           2HB      HIS   1 -10.897   2.656  -0.948
   10    HB3  HIS   1           1HB      HIS   1  -9.429   3.074  -1.826
   11    HA   PRO   2           HA       PRO   2  -8.845  -2.134  -0.224
   12    HB2  PRO   2           2HB      PRO   2  -6.880  -3.141  -1.928
   13    HB3  PRO   2           1HB      PRO   2  -8.530  -3.759  -1.787
   14    HG2  PRO   2           2HG      PRO   2  -7.393  -1.818  -3.767
   15    HG3  PRO   2           1HG      PRO   2  -8.512  -3.171  -4.037
   16    HD2  PRO   2           2HD      PRO   2  -9.458  -0.705  -3.951
   17    HD3  PRO   2           1HD      PRO   2 -10.311  -2.014  -3.101
   18    H    LEU   3           H        LEU   3  -6.306  -2.904  -0.107
   19    HA   LEU   3           HA       LEU   3  -4.957  -0.513   0.837
   20    HG   LEU   3           HG       LEU   3  -5.320  -4.224   0.948
   21    HB2  LEU   3           2HB      LEU   3  -3.362  -2.117   1.879
   22    HB3  LEU   3           1HB      LEU   3  -5.020  -2.255   2.437
   23   HD11  LEU   3          1HD1      LEU   3  -2.412  -3.735   0.388
   24   HD12  LEU   3          2HD1      LEU   3  -3.737  -3.901  -0.765
   25   HD13  LEU   3          3HD1      LEU   3  -3.179  -5.304   0.145
   26   HD21  LEU   3          3HD2      LEU   3  -4.158  -5.765   2.353
   27   HD22  LEU   3          1HD2      LEU   3  -4.661  -4.397   3.348
   28   HD23  LEU   3          2HD2      LEU   3  -2.983  -4.536   2.821
   29    H    LYS   4           H        LYS   4  -5.126  -1.053  -2.037
   30    HA   LYS   4           HA       LYS   4  -2.546  -1.945  -2.861
   31    HB2  LYS   4           2HB      LYS   4  -4.643  -0.449  -4.434
   32    HB3  LYS   4           1HB      LYS   4  -3.241  -1.268  -5.108
   33    HG2  LYS   4           2HG      LYS   4  -5.514  -2.579  -3.638
   34    HG3  LYS   4           1HG      LYS   4  -5.261  -2.593  -5.384
   35    HD2  LYS   4           2HD      LYS   4  -3.401  -3.769  -3.317
   36    HD3  LYS   4           1HD      LYS   4  -4.499  -4.680  -4.355
   37    HE2  LYS   4           2HE      LYS   4  -2.202  -2.958  -5.279
   38    HE3  LYS   4           1HE      LYS   4  -2.213  -4.719  -5.218
   39    HZ1  LYS   4           3HZ      LYS   4  -3.998  -4.739  -6.836
   40    HZ2  LYS   4           1HZ      LYS   4  -2.665  -3.894  -7.446
   41    HZ3  LYS   4           2HZ      LYS   4  -4.017  -3.048  -6.882
   42    H    GLN   5           H        GLN   5  -3.984   1.082  -2.095
   43    HA   GLN   5           HA       GLN   5  -1.705   2.567  -3.139
   44    HB2  GLN   5           2HB      GLN   5  -2.952   4.559  -2.331
   45    HB3  GLN   5           1HB      GLN   5  -3.865   3.584  -3.475
   46    HG2  GLN   5           2HG      GLN   5  -5.116   2.583  -1.641
   47    HG3  GLN   5           1HG      GLN   5  -4.191   3.541  -0.484
   48   HE21  GLN   5          1HE2      GLN   5  -5.246   5.225   0.248
   49   HE22  GLN   5          2HE2      GLN   5  -6.407   6.176  -0.638
   50    H    TYR   6           H        TYR   6  -2.035   0.670  -0.617
   51    HA   TYR   6           HA       TYR   6  -1.048   2.451   1.453
   52    HD1  TYR   6           2HD      TYR   6  -3.379   2.070   0.573
   53    HD2  TYR   6           1HD      TYR   6  -3.246  -0.658   3.832
   54    HE1  TYR   6           2HE      TYR   6  -5.772   2.438   0.965
   55    HE2  TYR   6           1HE      TYR   6  -5.648  -0.312   4.223
   56    HH   TYR   6           HH       TYR   6  -7.656   1.337   1.994
   57    HB2  TYR   6           2HB      TYR   6  -1.532  -0.535   1.543
   58    HB3  TYR   6           1HB      TYR   6  -1.158   0.491   2.921
   59    H    TRP   7           H        TRP   7   0.154   0.241  -0.871
   60    HA   TRP   7           HA       TRP   7   2.598  -0.421   0.361
   61    HD1  TRP   7           HD       TRP   7  -0.676  -1.213  -1.895
   62    HE1  TRP   7           1HE      TRP   7  -1.551  -3.578  -1.366
   63    HE3  TRP   7           3HE      TRP   7   3.727  -3.407  -0.789
   64    HZ2  TRP   7           2HZ      TRP   7  -0.470  -6.074  -0.548
   65    HZ3  TRP   7           3HZ      TRP   7   3.771  -5.790  -0.124
   66    HH2  TRP   7           HH       TRP   7   1.702  -7.092  -0.003
   67    HB2  TRP   7           2HB      TRP   7   1.916  -0.430  -2.581
   68    HB3  TRP   7           1HB      TRP   7   3.195  -1.348  -1.792
   69    H    TRP   8           H        TRP   8   2.545   2.083   0.856
   70    HA   TRP   8           HA       TRP   8   3.977   3.596  -1.170
   71    HD1  TRP   8           HD       TRP   8   3.856   6.039  -1.841
   72    HE1  TRP   8           1HE      TRP   8   5.000   8.300  -1.392
   73    HE3  TRP   8           3HE      TRP   8   3.875   5.939   3.271
   74    HZ2  TRP   8           2HZ      TRP   8   5.802   9.839   0.834
   75    HZ3  TRP   8           3HZ      TRP   8   4.847   7.845   4.483
   76    HH2  TRP   8           HH       TRP   8   5.789   9.754   3.289
   77    HB2  TRP   8           2HB      TRP   8   2.153   4.612   0.145
   78    HB3  TRP   8           1HB      TRP   8   3.098   4.392   1.607
   79    H    ARG   9           H        ARG   9   4.499   2.025   1.917
   80    HA   ARG   9           HA       ARG   9   7.377   2.516   1.591
   81    HE   ARG   9           HE       ARG   9   7.041   6.934   2.578
   82    HB2  ARG   9           2HB      ARG   9   5.825   2.761   4.162
   83    HB3  ARG   9           1HB      ARG   9   7.579   2.788   4.048
   84    HG2  ARG   9           2HG      ARG   9   5.704   4.769   2.775
   85    HG3  ARG   9           1HG      ARG   9   6.657   5.036   4.236
   86    HD2  ARG   9           2HD      ARG   9   8.714   4.724   2.943
   87    HD3  ARG   9           1HD      ARG   9   7.759   4.460   1.486
   88   HH11  ARG   9          1HH1      ARG   9   9.778   5.403   1.050
   89   HH12  ARG   9          2HH1      ARG   9  10.390   6.877   0.380
   90   HH21  ARG   9          1HH2      ARG   9   7.845   8.877   1.699
   91   HH22  ARG   9          2HH2      ARG   9   9.293   8.850   0.751
   92    HA   PRO  10           HA       PRO  10   6.217  -1.871   3.326
   93    HB2  PRO  10           2HB      PRO  10   5.434  -3.322   1.204
   94    HB3  PRO  10           1HB      PRO  10   4.276  -2.396   2.173
   95    HG2  PRO  10           2HG      PRO  10   5.630  -1.604  -0.395
   96    HG3  PRO  10           1HG      PRO  10   3.901  -1.574  -0.002
   97    HD2  PRO  10           2HD      PRO  10   5.365   0.657   0.183
   98    HD3  PRO  10           1HD      PRO  10   4.124   0.280   1.400
   99    H    SER  11           H        SER  11   7.642  -0.771   0.335
  100    HA   SER  11           HA       SER  11   9.456  -3.011   0.137
  101    HG   SER  11           HG       SER  11   8.562  -1.834  -3.041
  102    HB2  SER  11           2HB      SER  11   9.384  -0.394  -1.383
  103    HB3  SER  11           1HB      SER  11  10.420  -1.768  -1.770
  104    H    ILE  12           H        ILE  12   9.576  -1.491   2.620
  105    HA   ILE  12           HA       ILE  12  12.098  -0.044   2.448
  106    HB   ILE  12           HB       ILE  12  10.363   0.945   3.825
  107   HG12  ILE  12          2HG1      ILE  12  11.632   1.232   5.918
  108   HG13  ILE  12          1HG1      ILE  12  12.617  -0.170   5.512
  109   HG21  ILE  12          1HG2      ILE  12   9.862  -1.709   4.607
  110   HG22  ILE  12          2HG2      ILE  12   8.996  -0.252   5.094
  111   HG23  ILE  12          3HG2      ILE  12  10.348  -0.838   6.063
  112   HD11  ILE  12          3HD1      ILE  12  12.544   1.922   3.460
  113   HD12  ILE  12          1HD1      ILE  12  13.901   0.992   4.094
  114   HD13  ILE  12          2HD1      ILE  12  13.297   2.387   4.987