*HEADER    TRANSCRIPTION                           17-OCT-04   1XRZ              
*TITLE     NMR STRUCTURE OF A ZINC FINGER WITH CYCLOHEXANYLALANINE               
*TITLE    2 SUBSTITUTED FOR THE CENTRAL AROMATIC RESIDUE                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER Y-CHROMOSOMAL PROTEIN;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 570-598: CONTAINS               
*COMPND   5 C2H2-TYPE 6 ZINC FINGER (RESIDUES 572-595);                          
*COMPND   6 SYNONYM: ZINC FINGER 6;                                              
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED                
*SOURCE   4 USING SOLID-PHASE PEPTIDE SYNTHESIS. THE ZFY PROTEIN IS              
*SOURCE   5 NATURALLY FOUND IN HOMO SAPIENS (HUMAN).                             
*KEYWDS    CYCLOHEXANYLALANINE, ZINC FINGER                                      
*EXPDTA    NMR, 34 STRUCTURES                                                    
*AUTHOR    M.J.LACHENMANN, J.E.LADBURY, X.QIAN, K.HUANG, R.SINGH,                
*AUTHOR   2 M.A.WEISS                                                            
*REVDAT   1   30-NOV-04 1XRZ    0                                                
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assign (resid 10 and name HA) (resid 10 and name H15) 15.00 12.30  0.00
assign (resid 10 and name HA) (resid 10 and name H25) 15.00 12.30  0.00
assign (resid 10 and name HA) (resid 10 and name H13) 15.00 12.30  0.00
assign (resid 10 and name HA) (resid 10 and name H23) 15.00 12.30  0.00
assign (resid 10 and name HA) (resid 10 and name HZ1) 15.00 12.30  0.00
assign (resid 10 and name HA) (resid 10 and name HZ2) 15.00 12.30  0.00
assign (resid 10 and name H16) (resid 12 and name HB1) 20.00 17.30  0.00
assign (resid 10 and name H26) (resid 12 and name HB1) 20.00 17.30  0.00
assign (resid 10 and name H16) (resid 12 and name HB2) 20.00 17.30  0.00
assign (resid 10 and name H26) (resid 12 and name HB2) 20.00 17.30  0.00
assign (resid 10 and name H12) (resid 12 and name HB2) 20.00 17.30  0.00
assign (resid 10 and name H22) (resid 12 and name HB2) 20.00 17.30  0.00
assign (resid 10 and name H16) (resid 21 and name HB1) 20.00 17.30  0.00
assign (resid 10 and name H26) (resid 21 and name HB1) 20.00 17.30  0.00
assign (resid 10 and name H16) (resid 21 and name HB2) 20.00 17.30  0.00
assign (resid 10 and name H26) (resid 21 and name HB2) 20.00 17.30  0.00
assign (resid 10 and name H12) (resid 21 and name HB2) 20.00 17.30  0.00
assign (resid 10 and name H22) (resid 21 and name HB2) 20.00 17.30  0.00
assign (resid 10 and name H15) (resid 12 and name HB1) 20.00 17.30  0.00
assign (resid 10 and name H25) (resid 12 and name HB1) 20.00 17.30  0.00
assign (resid 10 and name H15) (resid 21 and name HB2) 20.00 17.30  0.00
assign (resid 10 and name H25) (resid 21 and name HB2) 20.00 17.30  0.00
assign (resid 10 and name H15) (resid 21 and name HE1) 20.00 17.30  0.00
assign (resid 10 and name H25) (resid 21 and name HE1) 20.00 17.30  0.00
assign (resid 10 and name HZ1) (resid 21 and name HB2) 20.00 17.30  0.00
assign (resid 10 and name HZ2) (resid 21 and name HB2) 20.00 17.30  0.00
assign (resid 10 and name HZ1) (resid 21 and name HD2) 20.00 17.30  0.00
assign (resid 10 and name HZ2) (resid 21 and name HD2) 20.00 17.30  0.00
assign (resid 10 and name HZ1) (resid 21 and name HE1) 20.00 17.30  0.00
assign (resid 10 and name HZ2) (resid 21 and name HE1) 20.00 17.30  0.00

assign (resid 16 and name C) (resid 17 and name N) (resid 17 and name CA) (resid 17 and name C)  1  -65.0 40.0 2
assign (resid 17 and name C) (resid 18 and name N) (resid 18 and name CA) (resid 18 and name C)  1  -65.0 40.0 2
assign (resid 18 and name C) (resid 19 and name N) (resid 19 and name CA) (resid 19 and name C)  1  -65.0 40.0 2
assign (resid 19 and name C) (resid 20 and name N) (resid 20 and name CA) (resid 20 and name C)  1  -65.0 40.0 2
assign (resid 20 and name C) (resid 21 and name N) (resid 21 and name CA) (resid 21 and name C)  1  -65.0 40.0 2
assign (resid 21 and name C) (resid 22 and name N) (resid 22 and name CA) (resid 22 and name C)  1  -65.0 40.0 2
assign (resid 22 and name C) (resid 23 and name N) (resid 23 and name CA) (resid 23 and name C)  1  -65.0 40.0 2

assign (resid 2 and name C) (resid 3 and name N) (resid 3 and name CA) (resid 3 and name C)  1  -120.0 40.0 2
assign (resid 6 and name C) (resid 7 and name N) (resid 7 and name CA) (resid 7 and name C)  1  -120.0 40.0 2
assign (resid 8 and name C) (resid 9 and name N) (resid 9 and name CA) (resid 9 and name C)  1  -120.0 40.0 2
assign (resid 10 and name C) (resid 11 and name N) (resid 11 and name CA) (resid 11 and name C)  1  -120.0 40.0 2
assign (resid 11 and name C) (resid 12 and name N) (resid 12 and name CA) (resid 12 and name C)  1  -120.0 40.0 2
assign (resid 13 and name C) (resid 14 and name N) (resid 14 and name CA) (resid 14 and name C)  1  -120.0 40.0 2
assign (resid 25 and name C) (resid 26 and name N) (resid 26 and name CA) (resid 26 and name C)  1  -120.0 40.0 2

assign (resid 3 and name N) (resid 3 and name CA) (resid 3 and name CB) (resid 3 and name CG)  1  -60.0 40.0 2
assign (resid 5 and name N) (resid 5 and name CA) (resid 5 and name CB) (resid 5 and name SG)  1  +180.0 40.0 2
assign (resid 7 and name N) (resid 7 and name CA) (resid 7 and name CB) (resid 7 and name CG)  1  -60.0 40.0 2
assign (resid 9 and name N) (resid 9 and name CA) (resid 9 and name CB) (resid 9 and name CG)  1  +180.0 40.0 2
assign (resid 10 and name N) (resid 10 and name CA) (resid 10 and name CB) (resid 10 and name CG1)  1  +180.0 40.0 2
assign (resid 12 and name N) (resid 12 and name CA) (resid 12 and name CB) (resid 12 and name OG)  1  -60.0 40.0 2
assign (resid 14 and name N) (resid 14 and name CA) (resid 14 and name CB) (resid 14 and name CG)  1  180.0 40.0 2
assign (resid 18 and name N) (resid 18 and name CA) (resid 18 and name CB) (resid 18 and name CG)  1  180.0 40.0 2
assign (resid 21 and name N) (resid 21 and name CA) (resid 21 and name CB) (resid 21 and name CG)  1  180.0 40.0 2
assign (resid 22 and name N) (resid 22 and name CA) (resid 22 and name CB) (resid 22 and name CG1)  1  -60.0 40.0 2
assign (resid 25 and name N) (resid 25 and name CA) (resid 25 and name CB) (resid 25 and name CG)  1  -60.0 40.0 2
assign (resid 26 and name N) (resid 26 and name CA) (resid 26 and name CB) (resid 26 and name CG)  1  -60.0 40.0 2
assign (resid 8 and name N) (resid 8 and name CA) (resid 8 and name CB) (resid 8 and name SG)  1  +60.0 40.0 2




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1H        LYS   1  -9.885  13.620  -5.214
    2   2H    LYS   1          2H        LYS   1 -10.069  13.108  -3.604
    3   3H    LYS   1          3H        LYS   1  -8.975  12.314  -4.626
    4    HA   LYS   1           HA       LYS   1  -8.301  15.010  -4.641
    5   1HB   LYS   1          2HB       LYS   1  -8.678  13.794  -1.866
    6   2HB   LYS   1          1HB       LYS   1  -7.651  15.181  -2.158
    7   1HG   LYS   1          2HG       LYS   1  -9.676  16.389  -3.111
    8   2HG   LYS   1          1HG       LYS   1 -10.662  15.011  -2.646
    9   1HD   LYS   1          2HD       LYS   1 -10.017  15.316  -0.267
   10   2HD   LYS   1          1HD       LYS   1  -8.968  16.652  -0.708
   11   1HE   LYS   1          2HE       LYS   1 -10.922  17.932  -1.548
   12   2HE   LYS   1          1HE       LYS   1 -11.992  16.603  -1.120
   13   1HZ   LYS   1          1HZ       LYS   1 -12.112  17.387   0.906
   14   2HZ   LYS   1          2HZ       LYS   1 -11.092  18.678   0.493
   15   3HZ   LYS   1          3HZ       LYS   1 -10.434  17.244   1.117
   16    H    THR   2           H        THR   2  -7.705  11.973  -2.969
   17    HA   THR   2           HA       THR   2  -4.844  12.020  -3.854
   18    HB   THR   2           HB       THR   2  -4.445  10.494  -1.833
   19    HG1  THR   2           HG1      THR   2  -6.192   9.632  -1.091
   20   1HG2  THR   2          1HG2      THR   2  -4.900  12.160  -0.064
   21   2HG2  THR   2          2HG2      THR   2  -6.054  13.001  -1.092
   22   3HG2  THR   2          3HG2      THR   2  -4.340  13.027  -1.484
   23    H    TYR   3           H        TYR   3  -3.968   9.704  -3.795
   24    HA   TYR   3           HA       TYR   3  -5.754   7.921  -5.428
   25   1HB   TYR   3          1HB       TYR   3  -2.729   7.659  -5.420
   26   2HB   TYR   3          2HB       TYR   3  -3.863   7.238  -6.694
   27    HD1  TYR   3           HD1      TYR   3  -5.330   9.673  -7.288
   28    HD2  TYR   3           HD2      TYR   3  -1.244   9.219  -6.180
   29    HE1  TYR   3           HE1      TYR   3  -4.786  11.779  -8.412
   30    HE2  TYR   3           HE2      TYR   3  -0.703  11.318  -7.312
   31    HH   TYR   3           HH       TYR   3  -3.204  13.252  -8.922
   32    H    GLN   4           H        GLN   4  -6.026   5.881  -4.456
   33    HA   GLN   4           HA       GLN   4  -4.323   5.396  -2.039
   34   1HB   GLN   4          1HB       GLN   4  -6.287   4.607  -0.869
   35   2HB   GLN   4          2HB       GLN   4  -6.846   5.985  -1.757
   36   1HG   GLN   4          2HG       GLN   4  -8.541   4.415  -2.140
   37   2HG   GLN   4          1HG       GLN   4  -7.598   4.344  -3.616
   38   1HE2  GLN   4          1HE2      GLN   4  -5.971   2.841  -0.956
   39   2HE2  GLN   4          2HE2      GLN   4  -6.368   1.240  -1.329
   40    H    CYS   5           H        CYS   5  -3.315   3.448  -1.927
   41    HA   CYS   5           HA       CYS   5  -2.453   2.026  -4.038
   42   1HB   CYS   5          1HB       CYS   5  -1.801   1.695  -1.685
   43   2HB   CYS   5          2HB       CYS   5  -3.255   0.737  -1.433
   44    H    GLN   6           H        GLN   6  -2.923   0.281  -5.281
   45    HA   GLN   6           HA       GLN   6  -5.837  -0.422  -5.421
   46   1HB   GLN   6          1HB       GLN   6  -5.288  -1.207  -7.728
   47   2HB   GLN   6          2HB       GLN   6  -4.877   0.469  -7.463
   48   1HG   GLN   6          2HG       GLN   6  -2.466  -0.190  -7.098
   49   2HG   GLN   6          1HG       GLN   6  -2.922  -1.859  -7.408
   50   1HE2  GLN   6          1HE2      GLN   6  -2.148  -2.358  -9.507
   51   2HE2  GLN   6          2HE2      GLN   6  -2.373  -1.352 -10.848
   52    H    TYR   7           H        TYR   7  -4.030  -1.488  -3.461
   53    HA   TYR   7           HA       TYR   7  -4.532  -4.386  -3.851
   54   1HB   TYR   7          1HB       TYR   7  -1.847  -3.203  -2.935
   55   2HB   TYR   7          2HB       TYR   7  -2.227  -4.912  -2.982
   56    HD1  TYR   7           HD1      TYR   7  -0.666  -2.397  -4.842
   57    HD2  TYR   7           HD2      TYR   7  -3.408  -5.620  -5.345
   58    HE1  TYR   7           HE1      TYR   7  -0.159  -2.483  -7.242
   59    HE2  TYR   7           HE2      TYR   7  -2.896  -5.693  -7.728
   60    HH   TYR   7           HH       TYR   7  -1.706  -4.847  -9.378
   61    H    CYS   8           H        CYS   8  -3.369  -1.905  -1.632
   62    HA   CYS   8           HA       CYS   8  -4.966  -3.154   0.587
   63   1HB   CYS   8          1HB       CYS   8  -3.341  -2.388   2.145
   64   2HB   CYS   8          2HB       CYS   8  -2.404  -3.033   0.812
   65    H    GLU   9           H        GLU   9  -4.702  -0.937   2.269
   66    HA   GLU   9           HA       GLU   9  -6.305   1.111   0.793
   67   1HB   GLU   9          1HB       GLU   9  -7.640  -0.237   2.418
   68   2HB   GLU   9          2HB       GLU   9  -6.552   0.253   3.711
   69   1HG   GLU   9          2HG       GLU   9  -8.751   1.531   3.586
   70   2HG   GLU   9          1HG       GLU   9  -7.349   2.560   3.612
   71    H1   HAC  10           H1       HAC  10  -0.796   4.548   2.166
   72   1H2   HAC  10          1H2       HAC  10  -0.013   4.560  -0.228
   73   2H2   HAC  10          2H2       HAC  10   1.009   3.182   0.110
   74   1H3   HAC  10          1H3       HAC  10   1.223   5.916   1.439
   75   2H3   HAC  10          2H3       HAC  10   2.298   5.285   0.200
   76   1H4   HAC  10          1H4       HAC  10   3.003   3.462   1.706
   77   2H4   HAC  10          2H4       HAC  10   3.258   5.005   2.491
   78   1H5   HAC  10          1H5       HAC  10   2.205   3.350   4.036
   79   2H5   HAC  10          2H5       HAC  10   1.179   4.752   3.796
   80   1H6   HAC  10          1H6       HAC  10   0.892   2.039   2.451
   81   2H6   HAC  10          2H6       HAC  10  -0.184   2.716   3.651
   82   1H7   HAC  10          1H7       HAC  10  -1.450   2.700   0.112
   83   2H7   HAC  10          2H7       HAC  10  -1.319   1.692   1.512
   84    H8   HAC  10           H8       HAC  10  -2.852   3.426   2.722
   85   1HN8  HAC  10          1HN8      HAC  10  -3.796   1.587   0.546
   86    H    ARG  11           H        ARG  11  -2.241   5.623   2.020
   87    HA   ARG  11           HA       ARG  11  -3.582   6.569  -0.474
   88   1HB   ARG  11          1HB       ARG  11  -3.783   7.801   2.298
   89   2HB   ARG  11          2HB       ARG  11  -4.400   8.547   0.836
   90   1HG   ARG  11          2HG       ARG  11  -5.959   6.701   0.457
   91   2HG   ARG  11          1HG       ARG  11  -5.264   5.758   1.757
   92   1HD   ARG  11          2HD       ARG  11  -7.337   6.775   2.517
   93   2HD   ARG  11          1HD       ARG  11  -5.986   7.468   3.405
   94    HE   ARG  11           HE       ARG  11  -6.145   9.441   1.835
   95   1HH1  ARG  11          1HH1      ARG  11  -8.696   8.313   3.538
   96   2HH1  ARG  11          2HH1      ARG  11  -9.942   8.999   2.549
   97   1HH2  ARG  11          1HH2      ARG  11  -7.745   9.898  -0.009
   98   2HH2  ARG  11          2HH2      ARG  11  -9.394   9.896   0.508
   99    H    SER  12           H        SER  12  -2.409   7.797  -1.695
  100    HA   SER  12           HA       SER  12  -0.093   9.349  -0.632
  101   1HB   SER  12          2HB       SER  12  -0.119   7.736  -3.236
  102   2HB   SER  12          1HB       SER  12   1.215   8.708  -2.645
  103    HG   SER  12           HG       SER  12   1.735   7.129  -1.378
  104    H    ALA  13           H        ALA  13   0.611  11.002  -2.225
  105    HA   ALA  13           HA       ALA  13  -1.742  12.244  -3.605
  106   1HB   ALA  13          1HB       ALA  13  -0.597  14.408  -3.153
  107   2HB   ALA  13          2HB       ALA  13   0.707  13.542  -2.351
  108   3HB   ALA  13          3HB       ALA  13  -0.914  13.517  -1.672
  109    H    ASP  14           H        ASP  14   1.186  10.772  -4.099
  110    HA   ASP  14           HA       ASP  14   1.494  11.902  -6.853
  111   1HB   ASP  14          1HB       ASP  14   3.281  12.711  -5.378
  112   2HB   ASP  14          2HB       ASP  14   3.609  11.075  -4.820
  113    H    SER  15           H        SER  15   2.822  10.267  -8.221
  114    HA   SER  15           HA       SER  15   1.521   7.606  -7.949
  115   1HB   SER  15          2HB       SER  15   1.287   8.769 -10.144
  116   2HB   SER  15          1HB       SER  15   3.049   8.843 -10.308
  117    HG   SER  15           HG       SER  15   1.389   6.792 -10.785
  118    H    SER  16           H        SER  16   4.768   8.804  -8.895
  119    HA   SER  16           HA       SER  16   6.277   6.518  -8.745
  120   1HB   SER  16          2HB       SER  16   7.292   8.751  -9.218
  121   2HB   SER  16          1HB       SER  16   7.096   9.227  -7.523
  122    HG   SER  16           HG       SER  16   9.015   7.760  -8.611
  123    H    ASN  17           H        ASN  17   5.417   8.561  -6.087
  124    HA   ASN  17           HA       ASN  17   6.497   7.266  -3.877
  125   1HB   ASN  17          1HB       ASN  17   3.866   8.763  -4.143
  126   2HB   ASN  17          2HB       ASN  17   4.596   8.341  -2.602
  127   1HD2  ASN  17          2HD2      ASN  17   5.005  10.482  -1.938
  128   2HD2  ASN  17          1HD2      ASN  17   6.124  11.498  -2.710
  129    H    LEU  18           H        LEU  18   3.159   6.801  -5.060
  130    HA   LEU  18           HA       LEU  18   2.534   4.701  -3.253
  131   1HB   LEU  18          1HB       LEU  18   0.906   6.102  -4.613
  132   2HB   LEU  18          2HB       LEU  18   1.356   5.185  -6.046
  133    HG   LEU  18           HG       LEU  18   0.376   3.103  -5.061
  134   1HD1  LEU  18          1HD1      LEU  18  -0.758   3.203  -2.851
  135   2HD1  LEU  18          2HD1      LEU  18  -0.250   4.866  -2.629
  136   3HD1  LEU  18          3HD1      LEU  18   0.931   3.566  -2.634
  137   1HD2  LEU  18          1HD2      LEU  18  -1.097   4.721  -6.258
  138   2HD2  LEU  18          2HD2      LEU  18  -1.447   5.526  -4.737
  139   3HD2  LEU  18          3HD2      LEU  18  -1.971   3.875  -4.997
  140    H    LYS  19           H        LYS  19   3.872   4.614  -6.508
  141    HA   LYS  19           HA       LYS  19   3.816   1.770  -6.820
  142   1HB   LYS  19          1HB       LYS  19   4.407   3.503  -8.637
  143   2HB   LYS  19          2HB       LYS  19   5.972   3.687  -7.869
  144   1HG   LYS  19          2HG       LYS  19   6.479   1.281  -8.255
  145   2HG   LYS  19          1HG       LYS  19   4.868   1.032  -8.886
  146   1HD   LYS  19          2HD       LYS  19   6.433   1.204 -10.752
  147   2HD   LYS  19          1HD       LYS  19   5.341   2.570 -10.773
  148   1HE   LYS  19          2HE       LYS  19   7.688   3.257 -11.217
  149   2HE   LYS  19          1HE       LYS  19   7.080   4.025  -9.762
  150   1HZ   LYS  19          1HZ       LYS  19   9.318   2.405 -10.057
  151   2HZ   LYS  19          2HZ       LYS  19   8.224   1.560  -9.069
  152   3HZ   LYS  19          3HZ       LYS  19   8.722   3.125  -8.640
  153    H    THR  20           H        THR  20   6.362   3.888  -5.556
  154    HA   THR  20           HA       THR  20   8.293   2.026  -4.784
  155    HB   THR  20           HB       THR  20   7.413   4.527  -3.184
  156    HG1  THR  20           HG1      THR  20   8.020   5.338  -5.033
  157   1HG2  THR  20          1HG2      THR  20  10.140   3.148  -3.454
  158   2HG2  THR  20          2HG2      THR  20   9.119   2.997  -2.032
  159   3HG2  THR  20          3HG2      THR  20   9.771   4.564  -2.477
  160    H    HIS  21           H        HIS  21   5.611   3.263  -2.811
  161    HA   HIS  21           HA       HIS  21   5.738   1.667  -0.569
  162   1HB   HIS  21          1HB       HIS  21   3.982   3.237  -0.527
  163   2HB   HIS  21          2HB       HIS  21   3.404   2.851  -2.126
  164    HD1  HIS  21           HD1      HIS  21   3.332   1.345   1.323
  165    HD2  HIS  21           HD2      HIS  21   1.391   1.024  -2.254
  166    HE1  HIS  21           HE1      HIS  21   1.391  -0.142   1.705
  167    H    ILE  22           H        ILE  22   3.898   0.786  -3.510
  168    HA   ILE  22           HA       ILE  22   3.200  -1.828  -2.800
  169    HB   ILE  22           HB       ILE  22   3.955  -0.797  -5.591
  170   1HG1  ILE  22          2HG1      ILE  22   1.193  -1.081  -4.323
  171   2HG1  ILE  22          1HG1      ILE  22   2.080   0.420  -4.241
  172   1HG2  ILE  22          1HG2      ILE  22   2.256  -3.211  -4.773
  173   2HG2  ILE  22          2HG2      ILE  22   3.865  -3.304  -5.462
  174   3HG2  ILE  22          3HG2      ILE  22   2.545  -2.679  -6.418
  175   1HD1  ILE  22          1HD1      ILE  22   2.167   0.504  -6.717
  176   2HD1  ILE  22          2HD1      ILE  22   0.519   0.461  -6.123
  177   3HD1  ILE  22          3HD1      ILE  22   1.246  -0.985  -6.805
  178    H    LYS  23           H        LYS  23   6.035  -0.963  -4.737
  179    HA   LYS  23           HA       LYS  23   7.362  -3.277  -5.162
  180   1HB   LYS  23          1HB       LYS  23   8.308  -1.118  -5.819
  181   2HB   LYS  23          2HB       LYS  23   8.636  -0.706  -4.149
  182   1HG   LYS  23          2HG       LYS  23  10.250  -2.578  -3.948
  183   2HG   LYS  23          1HG       LYS  23   9.935  -3.043  -5.604
  184   1HD   LYS  23          2HD       LYS  23  10.997  -0.299  -4.782
  185   2HD   LYS  23          1HD       LYS  23  12.041  -1.642  -5.195
  186   1HE   LYS  23          2HE       LYS  23   9.957  -0.471  -7.096
  187   2HE   LYS  23          1HE       LYS  23  11.677  -0.121  -7.138
  188   1HZ   LYS  23          1HZ       LYS  23  11.987  -1.922  -8.315
  189   2HZ   LYS  23          2HZ       LYS  23  10.326  -2.283  -8.261
  190   3HZ   LYS  23          3HZ       LYS  23  11.369  -2.888  -7.065
  191    H    THR  24           H        THR  24   7.430  -1.672  -2.055
  192    HA   THR  24           HA       THR  24   8.961  -3.915  -0.850
  193    HB   THR  24           HB       THR  24   9.963  -1.715  -0.506
  194    HG1  THR  24           HG1      THR  24  10.355  -2.393   1.419
  195   1HG2  THR  24          1HG2      THR  24   7.375  -0.969   0.960
  196   2HG2  THR  24          2HG2      THR  24   7.797  -0.324  -0.616
  197   3HG2  THR  24          3HG2      THR  24   8.792   0.049   0.779
  198    H    LYS  25           H        LYS  25   5.804  -2.351  -0.357
  199    HA   LYS  25           HA       LYS  25   5.308  -3.991   2.038
  200   1HB   LYS  25          1HB       LYS  25   3.445  -2.041   0.620
  201   2HB   LYS  25          2HB       LYS  25   3.213  -2.719   2.227
  202   1HG   LYS  25          2HG       LYS  25   5.358  -0.740   1.374
  203   2HG   LYS  25          1HG       LYS  25   4.039  -0.474   2.482
  204   1HD   LYS  25          2HD       LYS  25   5.006  -2.163   4.064
  205   2HD   LYS  25          1HD       LYS  25   6.359  -2.394   2.970
  206   1HE   LYS  25          2HE       LYS  25   7.022  -0.848   4.729
  207   2HE   LYS  25          1HE       LYS  25   6.968   0.014   3.196
  208   1HZ   LYS  25          1HZ       LYS  25   4.437   0.142   4.394
  209   2HZ   LYS  25          2HZ       LYS  25   5.521   1.406   4.059
  210   3HZ   LYS  25          3HZ       LYS  25   5.600   0.593   5.545
  211    H    HIS  26           H        HIS  26   4.672  -4.287  -1.314
  212    HA   HIS  26           HA       HIS  26   2.756  -6.515  -0.814
  213   1HB   HIS  26          1HB       HIS  26   2.874  -4.535  -3.115
  214   2HB   HIS  26          2HB       HIS  26   1.793  -5.906  -3.064
  215    HD1  HIS  26           HD1      HIS  26   0.726  -5.792  -0.304
  216    HD2  HIS  26           HD2      HIS  26   1.305  -2.369  -2.452
  217    HE1  HIS  26           HE1      HIS  26  -0.731  -4.085   0.719
  218    H    SER  27           H        SER  27   5.262  -5.237  -2.766
  219    HA   SER  27           HA       SER  27   6.762  -6.117  -4.308
  220   1HB   SER  27          2HB       SER  27   6.841  -8.317  -2.176
  221   2HB   SER  27          1HB       SER  27   8.147  -7.918  -3.305
  222    HG   SER  27           HG       SER  27   8.638  -6.294  -2.086
  223    H    LYS  28           H        LYS  28   4.249  -6.670  -5.169
  224    HA   LYS  28           HA       LYS  28   4.544  -9.325  -6.507
  225   1HB   LYS  28          1HB       LYS  28   2.026  -9.500  -6.480
  226   2HB   LYS  28          2HB       LYS  28   2.730  -9.568  -4.882
  227   1HG   LYS  28          2HG       LYS  28   2.189  -7.185  -4.524
  228   2HG   LYS  28          1HG       LYS  28   1.475  -7.073  -6.121
  229   1HD   LYS  28          2HD       LYS  28  -0.200  -8.812  -5.509
  230   2HD   LYS  28          1HD       LYS  28   0.505  -8.930  -3.906
  231   1HE   LYS  28          2HE       LYS  28  -0.089  -6.569  -3.444
  232   2HE   LYS  28          1HE       LYS  28  -0.678  -6.389  -5.086
  233   1HZ   LYS  28          1HZ       LYS  28  -2.625  -7.113  -4.407
  234   2HZ   LYS  28          2HZ       LYS  28  -2.032  -7.339  -2.834
  235   3HZ   LYS  28          3HZ       LYS  28  -1.944  -8.601  -3.964
  236    H    GLU  29           H        GLU  29   3.325  -6.114  -6.592
  237    HA   GLU  29           HA       GLU  29   3.359  -6.119  -9.576
  238   1HB   GLU  29          1HB       GLU  29   1.483  -4.732  -7.600
  239   2HB   GLU  29          2HB       GLU  29   1.482  -4.345  -9.299
  240   1HG   GLU  29          2HG       GLU  29   1.185  -7.243  -8.435
  241   2HG   GLU  29          1HG       GLU  29  -0.213  -6.211  -8.401
  242    H    LYS  30           H        LYS  30   4.924  -2.854  -9.580
  243    HA   LYS  30           HA       LYS  30   2.829  -4.545 -10.895
  244   1HB   LYS  30          1HB       LYS  30   2.186  -2.160 -10.569
  245   2HB   LYS  30          2HB       LYS  30   3.658  -1.643 -11.357
  246   1HG   LYS  30          2HG       LYS  30   1.877  -1.465 -12.988
  247   2HG   LYS  30          1HG       LYS  30   2.905  -2.782 -13.482
  248   1HD   LYS  30          2HD       LYS  30   0.638  -3.523 -13.758
  249   2HD   LYS  30          1HD       LYS  30   1.235  -4.378 -12.355
  250   1HE   LYS  30          2HE       LYS  30   0.139  -2.619 -10.882
  251   2HE   LYS  30          1HE       LYS  30  -0.485  -1.858 -12.336
  252   1HZ   LYS  30          1HZ       LYS  30  -1.510  -3.961 -10.885
  253   2HZ   LYS  30          2HZ       LYS  30  -1.134  -4.578 -12.418
  254   3HZ   LYS  30          3HZ       LYS  30  -2.177  -3.237 -12.276
  Start of MODEL    2
    1   1H    LYS   1          1H        LYS   1  -7.862  13.775  -3.825
    2   2H    LYS   1          2H        LYS   1  -8.502  15.071  -4.715
    3   3H    LYS   1          3H        LYS   1  -8.522  15.113  -3.018
    4    HA   LYS   1           HA       LYS   1  -6.554  16.031  -4.781
    5   1HB   LYS   1          2HB       LYS   1  -7.385  17.066  -2.596
    6   2HB   LYS   1          1HB       LYS   1  -6.495  15.827  -1.732
    7   1HG   LYS   1          2HG       LYS   1  -4.365  16.606  -2.682
    8   2HG   LYS   1          1HG       LYS   1  -5.201  17.755  -3.709
    9   1HD   LYS   1          2HD       LYS   1  -6.041  18.957  -1.697
   10   2HD   LYS   1          1HD       LYS   1  -5.232  17.807  -0.652
   11   1HE   LYS   1          2HE       LYS   1  -3.818  19.601  -2.678
   12   2HE   LYS   1          1HE       LYS   1  -3.892  19.902  -0.950
   13   1HZ   LYS   1          1HZ       LYS   1  -2.103  18.285  -2.355
   14   2HZ   LYS   1          2HZ       LYS   1  -3.004  17.287  -1.320
   15   3HZ   LYS   1          3HZ       LYS   1  -2.151  18.612  -0.690
   16    H    THR   2           H        THR   2  -6.642  13.338  -2.537
   17    HA   THR   2           HA       THR   2  -3.842  12.575  -3.218
   18    HB   THR   2           HB       THR   2  -4.110  10.976  -1.221
   19    HG1  THR   2           HG1      THR   2  -6.336  12.155  -0.308
   20   1HG2  THR   2          1HG2      THR   2  -3.317  13.373  -0.798
   21   2HG2  THR   2          2HG2      THR   2  -4.255  12.705   0.533
   22   3HG2  THR   2          3HG2      THR   2  -4.999  13.829  -0.590
   23    H    TYR   3           H        TYR   3  -3.524  10.195  -3.223
   24    HA   TYR   3           HA       TYR   3  -5.574   8.757  -4.853
   25   1HB   TYR   3          1HB       TYR   3  -2.531   8.703  -5.206
   26   2HB   TYR   3          2HB       TYR   3  -3.677   7.796  -6.180
   27    HD1  TYR   3           HD1      TYR   3  -2.745  11.312  -5.227
   28    HD2  TYR   3           HD2      TYR   3  -4.599   8.793  -8.122
   29    HE1  TYR   3           HE1      TYR   3  -2.969  13.214  -6.743
   30    HE2  TYR   3           HE2      TYR   3  -4.820  10.700  -9.633
   31    HH   TYR   3           HH       TYR   3  -3.747  13.948  -8.684
   32    H    GLN   4           H        GLN   4  -5.351   6.378  -4.627
   33    HA   GLN   4           HA       GLN   4  -4.077   5.639  -2.025
   34   1HB   GLN   4          1HB       GLN   4  -5.921   4.102  -1.602
   35   2HB   GLN   4          2HB       GLN   4  -6.583   5.690  -1.912
   36   1HG   GLN   4          2HG       GLN   4  -7.390   5.053  -4.076
   37   2HG   GLN   4          1HG       GLN   4  -6.350   3.633  -4.160
   38   1HE2  GLN   4          1HE2      GLN   4  -7.052   1.752  -3.212
   39   2HE2  GLN   4          2HE2      GLN   4  -8.469   1.584  -2.306
   40    H    CYS   5           H        CYS   5  -4.317   2.918  -2.015
   41    HA   CYS   5           HA       CYS   5  -2.490   2.195  -4.268
   42   1HB   CYS   5          1HB       CYS   5  -1.764   1.646  -1.995
   43   2HB   CYS   5          2HB       CYS   5  -3.227   0.703  -1.733
   44    H    GLN   6           H        GLN   6  -2.702   0.076  -5.233
   45    HA   GLN   6           HA       GLN   6  -5.562  -0.584  -5.860
   46   1HB   GLN   6          1HB       GLN   6  -3.034  -1.046  -7.493
   47   2HB   GLN   6          2HB       GLN   6  -4.629  -1.565  -7.982
   48   1HG   GLN   6          2HG       GLN   6  -4.048   0.526  -9.119
   49   2HG   GLN   6          1HG       GLN   6  -5.414   0.788  -8.047
   50   1HE2  GLN   6          2HE2      GLN   6  -5.216   2.701  -6.958
   51   2HE2  GLN   6          1HE2      GLN   6  -3.766   3.393  -6.412
   52    H    TYR   7           H        TYR   7  -3.435  -1.638  -3.839
   53    HA   TYR   7           HA       TYR   7  -4.004  -4.552  -4.221
   54   1HB   TYR   7          1HB       TYR   7  -1.543  -3.154  -3.046
   55   2HB   TYR   7          2HB       TYR   7  -1.833  -4.878  -2.875
   56    HD1  TYR   7           HD1      TYR   7  -1.663  -2.242  -5.592
   57    HD2  TYR   7           HD2      TYR   7  -0.932  -6.297  -4.498
   58    HE1  TYR   7           HE1      TYR   7  -0.660  -2.657  -7.783
   59    HE2  TYR   7           HE2      TYR   7   0.078  -6.700  -6.690
   60    HH   TYR   7           HH       TYR   7   0.642  -5.847  -8.646
   61    H    CYS   8           H        CYS   8  -3.295  -1.944  -2.020
   62    HA   CYS   8           HA       CYS   8  -5.184  -3.067   0.016
   63   1HB   CYS   8          1HB       CYS   8  -3.728  -2.267   1.760
   64   2HB   CYS   8          2HB       CYS   8  -2.697  -3.038   0.587
   65    H    GLU   9           H        GLU   9  -5.163  -0.904   1.645
   66    HA   GLU   9           HA       GLU   9  -6.383   1.243  -0.036
   67   1HB   GLU   9          1HB       GLU   9  -8.056  -0.052   1.272
   68   2HB   GLU   9          2HB       GLU   9  -7.168   0.265   2.759
   69   1HG   GLU   9          2HG       GLU   9  -9.205   1.718   2.416
   70   2HG   GLU   9          1HG       GLU   9  -7.745   2.639   2.670
   71    H1   HAC  10           H1       HAC  10  -0.891   4.311   2.015
   72   1H2   HAC  10          1H2       HAC  10   0.107   4.355  -0.295
   73   2H2   HAC  10          2H2       HAC  10   0.977   2.901   0.078
   74   1H3   HAC  10          1H3       HAC  10   1.286   5.586   1.494
   75   2H3   HAC  10          2H3       HAC  10   2.435   4.860   0.388
   76   1H4   HAC  10          1H4       HAC  10   2.855   3.020   1.951
   77   2H4   HAC  10          2H4       HAC  10   3.073   4.537   2.797
   78   1H5   HAC  10          1H5       HAC  10   1.762   2.920   4.160
   79   2H5   HAC  10          2H5       HAC  10   0.831   4.362   3.811
   80   1H6   HAC  10          1H6       HAC  10   0.641   1.709   2.331
   81   2H6   HAC  10          2H6       HAC  10  -0.551   2.334   3.449
   82   1H7   HAC  10          1H7       HAC  10  -1.595   2.760  -0.177
   83   2H7   HAC  10          2H7       HAC  10  -1.501   1.531   1.027
   84    H8   HAC  10           H8       HAC  10  -3.006   3.058   2.515
   85   1HN8  HAC  10          1HN8      HAC  10  -3.898   1.580   0.092
   86    H    ARG  11           H        ARG  11  -2.308   5.300   2.224
   87    HA   ARG  11           HA       ARG  11  -3.657   6.721  -0.027
   88   1HB   ARG  11          1HB       ARG  11  -4.943   6.912   2.085
   89   2HB   ARG  11          2HB       ARG  11  -3.510   7.463   2.925
   90   1HG   ARG  11          2HG       ARG  11  -3.472   9.530   1.546
   91   2HG   ARG  11          1HG       ARG  11  -4.840   8.947   0.609
   92   1HD   ARG  11          2HD       ARG  11  -5.576  10.542   2.394
   93   2HD   ARG  11          1HD       ARG  11  -6.257   8.943   2.655
   94    HE   ARG  11           HE       ARG  11  -3.900  10.033   4.156
   95   1HH1  ARG  11          2HH1      ARG  11  -6.984   9.499   4.849
   96   2HH1  ARG  11          1HH1      ARG  11  -6.774   8.223   6.001
   97   1HH2  ARG  11          2HH2      ARG  11  -3.404   7.757   5.158
   98   2HH2  ARG  11          1HH2      ARG  11  -4.694   7.214   6.179
   99    H    SER  12           H        SER  12  -2.343   7.965  -1.131
  100    HA   SER  12           HA       SER  12   0.154   9.095   0.027
  101   1HB   SER  12          2HB       SER  12   0.027   7.705  -2.743
  102   2HB   SER  12          1HB       SER  12   1.420   8.487  -2.036
  103    HG   SER  12           HG       SER  12   0.380   6.762  -0.254
  104    H    ALA  13           H        ALA  13   0.983  10.806  -1.578
  105    HA   ALA  13           HA       ALA  13  -1.378  12.360  -2.557
  106   1HB   ALA  13          1HB       ALA  13   1.447  13.258  -1.886
  107   2HB   ALA  13          2HB       ALA  13   0.040  13.444  -0.851
  108   3HB   ALA  13          3HB       ALA  13   0.132  14.316  -2.374
  109    H    ASP  14           H        ASP  14   1.409  10.706  -3.555
  110    HA   ASP  14           HA       ASP  14   1.157  11.692  -6.370
  111   1HB   ASP  14          1HB       ASP  14   3.239  12.432  -5.298
  112   2HB   ASP  14          2HB       ASP  14   3.572  10.789  -4.761
  113    H    SER  15           H        SER  15   2.268   9.959  -7.869
  114    HA   SER  15           HA       SER  15   1.027   7.302  -7.266
  115   1HB   SER  15          2HB       SER  15   0.073   8.474  -9.268
  116   2HB   SER  15          1HB       SER  15   1.686   8.527  -9.998
  117    HG   SER  15           HG       SER  15  -0.046   6.464  -9.798
  118    H    SER  16           H        SER  16   3.875   8.801  -8.869
  119    HA   SER  16           HA       SER  16   5.433   6.573  -9.412
  120   1HB   SER  16          2HB       SER  16   6.198   8.990  -9.776
  121   2HB   SER  16          1HB       SER  16   6.557   9.089  -8.046
  122    HG   SER  16           HG       SER  16   8.284   8.019  -8.407
  123    H    ASN  17           H        ASN  17   5.194   8.269  -6.391
  124    HA   ASN  17           HA       ASN  17   6.790   6.519  -4.798
  125   1HB   ASN  17          1HB       ASN  17   4.593   8.509  -4.057
  126   2HB   ASN  17          2HB       ASN  17   5.629   7.721  -2.869
  127   1HD2  ASN  17          1HD2      ASN  17   5.376  10.570  -4.503
  128   2HD2  ASN  17          2HD2      ASN  17   7.016  10.996  -4.608
  129    H    LEU  18           H        LEU  18   3.256   6.611  -5.414
  130    HA   LEU  18           HA       LEU  18   2.455   4.623  -3.600
  131   1HB   LEU  18          1HB       LEU  18   0.903   5.998  -5.062
  132   2HB   LEU  18          2HB       LEU  18   1.425   5.053  -6.451
  133    HG   LEU  18           HG       LEU  18   0.534   2.958  -5.278
  134   1HD1  LEU  18          1HD1      LEU  18   0.548   3.912  -2.947
  135   2HD1  LEU  18          2HD1      LEU  18  -1.032   3.333  -3.402
  136   3HD1  LEU  18          3HD1      LEU  18  -0.694   5.054  -3.427
  137   1HD2  LEU  18          1HD2      LEU  18  -0.652   4.174  -7.082
  138   2HD2  LEU  18          2HD2      LEU  18  -1.411   5.211  -5.885
  139   3HD2  LEU  18          3HD2      LEU  18  -1.756   3.488  -5.914
  140    H    LYS  19           H        LYS  19   3.641   4.308  -6.857
  141    HA   LYS  19           HA       LYS  19   3.498   1.449  -7.062
  142   1HB   LYS  19          1HB       LYS  19   5.688   3.230  -8.315
  143   2HB   LYS  19          2HB       LYS  19   5.153   1.673  -8.923
  144   1HG   LYS  19          2HG       LYS  19   2.857   2.667  -9.284
  145   2HG   LYS  19          1HG       LYS  19   3.494   4.228  -8.818
  146   1HD   LYS  19          2HD       LYS  19   5.265   3.872 -10.689
  147   2HD   LYS  19          1HD       LYS  19   4.211   2.594 -11.263
  148   1HE   LYS  19          2HE       LYS  19   3.503   5.537 -10.940
  149   2HE   LYS  19          1HE       LYS  19   3.607   4.641 -12.443
  150   1HZ   LYS  19          1HZ       LYS  19   1.491   4.131 -12.242
  151   2HZ   LYS  19          2HZ       LYS  19   1.434   4.991 -10.774
  152   3HZ   LYS  19          3HZ       LYS  19   1.787   3.329 -10.772
  153    H    THR  20           H        THR  20   6.179   3.525  -6.054
  154    HA   THR  20           HA       THR  20   8.030   1.553  -5.294
  155    HB   THR  20           HB       THR  20   7.485   4.261  -3.894
  156    HG1  THR  20           HG1      THR  20   7.815   4.449  -6.087
  157   1HG2  THR  20          1HG2      THR  20   9.161   2.683  -2.701
  158   2HG2  THR  20          2HG2      THR  20   9.882   4.151  -3.334
  159   3HG2  THR  20          3HG2      THR  20  10.073   2.634  -4.200
  160    H    HIS  21           H        HIS  21   5.481   3.044  -3.300
  161    HA   HIS  21           HA       HIS  21   5.687   1.696  -0.905
  162   1HB   HIS  21          1HB       HIS  21   3.874   3.159  -0.813
  163   2HB   HIS  21          2HB       HIS  21   3.325   2.823  -2.432
  164    HD1  HIS  21           HD1      HIS  21   3.145   1.347   0.995
  165    HD2  HIS  21           HD2      HIS  21   1.292   0.894  -2.607
  166    HE1  HIS  21           HE1      HIS  21   1.211  -0.148   1.379
  167    H    ILE  22           H        ILE  22   3.815   0.546  -3.726
  168    HA   ILE  22           HA       ILE  22   3.156  -1.994  -2.711
  169    HB   ILE  22           HB       ILE  22   3.858  -1.263  -5.619
  170   1HG1  ILE  22          2HG1      ILE  22   1.114  -1.388  -4.271
  171   2HG1  ILE  22          1HG1      ILE  22   2.013   0.100  -4.444
  172   1HG2  ILE  22          1HG2      ILE  22   2.188  -3.585  -4.522
  173   2HG2  ILE  22          2HG2      ILE  22   3.796  -3.748  -5.212
  174   3HG2  ILE  22          3HG2      ILE  22   2.463  -3.238  -6.222
  175   1HD1  ILE  22          1HD1      ILE  22   0.376  -0.145  -6.272
  176   2HD1  ILE  22          2HD1      ILE  22   1.120  -1.659  -6.755
  177   3HD1  ILE  22          3HD1      ILE  22   2.013  -0.158  -6.906
  178    H    LYS  23           H        LYS  23   5.873  -1.218  -4.765
  179    HA   LYS  23           HA       LYS  23   7.302  -3.533  -4.901
  180   1HB   LYS  23          1HB       LYS  23   7.866  -1.190  -5.813
  181   2HB   LYS  23          2HB       LYS  23   8.703  -0.899  -4.297
  182   1HG   LYS  23          2HG       LYS  23  10.085  -2.966  -4.692
  183   2HG   LYS  23          1HG       LYS  23   9.328  -3.133  -6.260
  184   1HD   LYS  23          2HD       LYS  23  11.114  -0.854  -5.294
  185   2HD   LYS  23          1HD       LYS  23  11.477  -2.018  -6.549
  186   1HE   LYS  23          2HE       LYS  23   9.310   0.138  -6.726
  187   2HE   LYS  23          1HE       LYS  23  10.861   0.154  -7.534
  188   1HZ   LYS  23          1HZ       LYS  23   9.665  -2.259  -8.201
  189   2HZ   LYS  23          2HZ       LYS  23   9.957  -0.918  -9.187
  190   3HZ   LYS  23          3HZ       LYS  23   8.481  -1.050  -8.363
  191    H    THR  24           H        THR  24   7.337  -1.381  -2.144
  192    HA   THR  24           HA       THR  24   9.028  -3.264  -0.573
  193    HB   THR  24           HB       THR  24   8.507  -0.274  -0.230
  194    HG1  THR  24           HG1      THR  24  10.457  -1.976  -1.355
  195   1HG2  THR  24          1HG2      THR  24  10.402  -0.334   1.360
  196   2HG2  THR  24          2HG2      THR  24  10.555  -2.076   1.193
  197   3HG2  THR  24          3HG2      THR  24   9.158  -1.380   2.005
  198    H    LYS  25           H        LYS  25   5.714  -2.442  -0.603
  199    HA   LYS  25           HA       LYS  25   5.402  -3.214   2.274
  200   1HB   LYS  25          1HB       LYS  25   3.600  -1.576   0.458
  201   2HB   LYS  25          2HB       LYS  25   3.104  -2.119   2.053
  202   1HG   LYS  25          2HG       LYS  25   5.516  -0.341   1.476
  203   2HG   LYS  25          1HG       LYS  25   3.974   0.220   2.074
  204   1HD   LYS  25          2HD       LYS  25   5.850  -1.644   3.585
  205   2HD   LYS  25          1HD       LYS  25   5.580   0.047   3.910
  206   1HE   LYS  25          2HE       LYS  25   3.461  -2.135   4.166
  207   2HE   LYS  25          1HE       LYS  25   4.272  -1.310   5.479
  208   1HZ   LYS  25          1HZ       LYS  25   1.991  -0.520   4.098
  209   2HZ   LYS  25          2HZ       LYS  25   3.194   0.638   3.796
  210   3HZ   LYS  25          3HZ       LYS  25   2.768   0.257   5.395
  211    H    HIS  26           H        HIS  26   4.465  -4.033  -0.944
  212    HA   HIS  26           HA       HIS  26   2.662  -6.203   0.013
  213   1HB   HIS  26          1HB       HIS  26   3.079  -4.763  -2.673
  214   2HB   HIS  26          2HB       HIS  26   2.101  -6.201  -2.581
  215    HD1  HIS  26           HD1      HIS  26   0.397  -5.901  -0.295
  216    HD2  HIS  26           HD2      HIS  26   1.414  -2.502  -2.315
  217    HE1  HIS  26           HE1      HIS  26  -1.250  -4.196   0.337
  218    H    SER  27           H        SER  27   5.390  -5.290  -1.847
  219    HA   SER  27           HA       SER  27   6.585  -8.035  -1.709
  220   1HB   SER  27          2HB       SER  27   6.019  -7.249  -4.106
  221   2HB   SER  27          1HB       SER  27   7.109  -5.878  -3.851
  222    HG   SER  27           HG       SER  27   8.708  -7.181  -4.134
  223    H    LYS  28           H        LYS  28   9.158  -7.294  -2.239
  224    HA   LYS  28           HA       LYS  28   9.838  -5.221  -0.184
  225   1HB   LYS  28          1HB       LYS  28  10.284  -7.604   0.538
  226   2HB   LYS  28          2HB       LYS  28  11.417  -7.772  -0.796
  227   1HG   LYS  28          2HG       LYS  28  12.709  -5.784   0.105
  228   2HG   LYS  28          1HG       LYS  28  11.602  -5.721   1.455
  229   1HD   LYS  28          2HD       LYS  28  13.308  -8.161   0.834
  230   2HD   LYS  28          1HD       LYS  28  13.819  -6.878   1.912
  231   1HE   LYS  28          2HE       LYS  28  12.873  -8.584   3.325
  232   2HE   LYS  28          1HE       LYS  28  11.670  -7.309   3.258
  233   1HZ   LYS  28          1HZ       LYS  28  11.385  -9.983   2.573
  234   2HZ   LYS  28          2HZ       LYS  28  11.231  -9.094   1.140
  235   3HZ   LYS  28          3HZ       LYS  28  10.225  -8.745   2.464
  236    H    GLU  29           H        GLU  29  11.165  -7.145  -2.718
  237    HA   GLU  29           HA       GLU  29  12.250  -4.769  -4.160
  238   1HB   GLU  29          1HB       GLU  29  13.668  -7.420  -3.612
  239   2HB   GLU  29          2HB       GLU  29  14.273  -6.208  -4.726
  240   1HG   GLU  29          2HG       GLU  29  14.397  -4.560  -2.872
  241   2HG   GLU  29          1HG       GLU  29  13.747  -5.750  -1.754
  242    H    LYS  30           H        LYS  30  10.325  -4.977  -5.438
  243    HA   LYS  30           HA       LYS  30  10.265  -7.338  -7.289
  244   1HB   LYS  30          1HB       LYS  30   8.162  -6.853  -5.977
  245   2HB   LYS  30          2HB       LYS  30   8.091  -5.274  -6.725
  246   1HG   LYS  30          2HG       LYS  30   7.960  -6.427  -8.986
  247   2HG   LYS  30          1HG       LYS  30   8.008  -7.972  -8.169
  248   1HD   LYS  30          2HD       LYS  30   5.686  -7.490  -8.680
  249   2HD   LYS  30          1HD       LYS  30   5.893  -7.375  -6.948
  250   1HE   LYS  30          2HE       LYS  30   4.523  -5.493  -7.816
  251   2HE   LYS  30          1HE       LYS  30   6.015  -4.869  -7.141
  252   1HZ   LYS  30          1HZ       LYS  30   6.429  -5.501  -9.844
  253   2HZ   LYS  30          2HZ       LYS  30   6.488  -3.984  -9.082
  254   3HZ   LYS  30          3HZ       LYS  30   5.021  -4.563  -9.715
  Start of MODEL    3
    1   1H    LYS   1          1H        LYS   1  -6.027  15.068  -7.104
    2   2H    LYS   1          2H        LYS   1  -4.710  13.994  -7.158
    3   3H    LYS   1          3H        LYS   1  -4.483  15.635  -7.523
    4    HA   LYS   1           HA       LYS   1  -4.014  16.059  -5.434
    5   1HB   LYS   1          2HB       LYS   1  -6.811  14.929  -5.020
    6   2HB   LYS   1          1HB       LYS   1  -5.864  15.574  -3.688
    7   1HG   LYS   1          2HG       LYS   1  -5.756  17.774  -4.754
    8   2HG   LYS   1          1HG       LYS   1  -6.483  17.160  -6.227
    9   1HD   LYS   1          2HD       LYS   1  -8.126  18.399  -4.835
   10   2HD   LYS   1          1HD       LYS   1  -8.608  16.730  -5.050
   11   1HE   LYS   1          2HE       LYS   1  -7.669  16.205  -2.750
   12   2HE   LYS   1          1HE       LYS   1  -7.252  17.902  -2.568
   13   1HZ   LYS   1          1HZ       LYS   1  -9.290  18.284  -1.886
   14   2HZ   LYS   1          2HZ       LYS   1  -9.677  16.640  -2.071
   15   3HZ   LYS   1          3HZ       LYS   1  -9.929  17.723  -3.355
   16    H    THR   2           H        THR   2  -5.856  13.076  -4.800
   17    HA   THR   2           HA       THR   2  -3.334  11.843  -3.765
   18    HB   THR   2           HB       THR   2  -4.828  10.667  -2.034
   19    HG1  THR   2           HG1      THR   2  -6.636  11.891  -3.617
   20   1HG2  THR   2          1HG2      THR   2  -5.208  12.655  -0.599
   21   2HG2  THR   2          2HG2      THR   2  -5.028  13.724  -1.978
   22   3HG2  THR   2          3HG2      THR   2  -3.644  12.826  -1.377
   23    H    TYR   3           H        TYR   3  -3.262   9.655  -3.706
   24    HA   TYR   3           HA       TYR   3  -4.924   8.147  -5.697
   25   1HB   TYR   3          1HB       TYR   3  -1.905   7.849  -5.291
   26   2HB   TYR   3          2HB       TYR   3  -2.875   7.020  -6.500
   27    HD1  TYR   3           HD1      TYR   3  -1.768  10.436  -5.431
   28    HD2  TYR   3           HD2      TYR   3  -3.258   8.024  -8.617
   29    HE1  TYR   3           HE1      TYR   3  -1.423  12.284  -7.001
   30    HE2  TYR   3           HE2      TYR   3  -2.907   9.876 -10.175
   31    HH   TYR   3           HH       TYR   3  -1.713  13.024  -9.048
   32    H    GLN   4           H        GLN   4  -5.186   5.910  -5.170
   33    HA   GLN   4           HA       GLN   4  -4.500   5.202  -2.340
   34   1HB   GLN   4          1HB       GLN   4  -6.900   4.417  -4.044
   35   2HB   GLN   4          2HB       GLN   4  -6.554   3.675  -2.499
   36   1HG   GLN   4          2HG       GLN   4  -6.969   6.684  -2.852
   37   2HG   GLN   4          1HG       GLN   4  -8.256   5.573  -2.426
   38   1HE2  GLN   4          2HE2      GLN   4  -5.567   4.301  -0.883
   39   2HE2  GLN   4          1HE2      GLN   4  -5.730   5.093   0.605
   40    H    CYS   5           H        CYS   5  -3.784   2.973  -1.956
   41    HA   CYS   5           HA       CYS   5  -2.140   1.894  -3.966
   42   1HB   CYS   5          1HB       CYS   5  -1.937   1.504  -1.555
   43   2HB   CYS   5          2HB       CYS   5  -3.408   0.533  -1.589
   44    H    GLN   6           H        GLN   6  -2.251  -0.393  -4.661
   45    HA   GLN   6           HA       GLN   6  -4.906  -0.969  -5.941
   46   1HB   GLN   6          1HB       GLN   6  -2.137  -1.864  -6.831
   47   2HB   GLN   6          2HB       GLN   6  -3.620  -2.048  -7.748
   48   1HG   GLN   6          2HG       GLN   6  -2.171   0.552  -7.049
   49   2HG   GLN   6          1HG       GLN   6  -2.396  -0.131  -8.648
   50   1HE2  GLN   6          2HE2      GLN   6  -3.504   2.307  -6.745
   51   2HE2  GLN   6          1HE2      GLN   6  -5.078   2.470  -7.358
   52    H    TYR   7           H        TYR   7  -3.205  -1.894  -3.405
   53    HA   TYR   7           HA       TYR   7  -4.102  -4.743  -3.494
   54   1HB   TYR   7          1HB       TYR   7  -1.461  -3.558  -2.602
   55   2HB   TYR   7          2HB       TYR   7  -2.051  -5.008  -1.801
   56    HD1  TYR   7           HD1      TYR   7  -1.636  -3.716  -5.347
   57    HD2  TYR   7           HD2      TYR   7  -1.350  -7.026  -2.677
   58    HE1  TYR   7           HE1      TYR   7  -0.786  -5.114  -7.160
   59    HE2  TYR   7           HE2      TYR   7  -0.497  -8.417  -4.493
   60    HH   TYR   7           HH       TYR   7  -0.018  -8.554  -6.651
   61    H    CYS   8           H        CYS   8  -3.214  -2.024  -1.444
   62    HA   CYS   8           HA       CYS   8  -5.192  -2.918   0.632
   63   1HB   CYS   8          1HB       CYS   8  -3.710  -2.115   2.319
   64   2HB   CYS   8          2HB       CYS   8  -2.650  -2.817   1.128
   65    H    GLU   9           H        GLU   9  -5.119  -0.611   2.093
   66    HA   GLU   9           HA       GLU   9  -6.457   1.403   0.311
   67   1HB   GLU   9          1HB       GLU   9  -7.988   0.103   1.885
   68   2HB   GLU   9          2HB       GLU   9  -7.096   0.778   3.241
   69   1HG   GLU   9          2HG       GLU   9  -9.173   2.050   2.821
   70   2HG   GLU   9          1HG       GLU   9  -7.778   3.076   2.598
   71    H1   HAC  10           H1       HAC  10  -0.976   4.479   2.454
   72   1H2   HAC  10          1H2       HAC  10   0.015   4.520   0.125
   73   2H2   HAC  10          2H2       HAC  10   0.927   3.085   0.516
   74   1H3   HAC  10          1H3       HAC  10   1.161   5.766   1.964
   75   2H3   HAC  10          2H3       HAC  10   2.306   5.143   0.794
   76   1H4   HAC  10          1H4       HAC  10   2.815   3.231   2.269
   77   2H4   HAC  10          2H4       HAC  10   3.044   4.727   3.155
   78   1H5   HAC  10          1H5       HAC  10   1.799   3.043   4.509
   79   2H5   HAC  10          2H5       HAC  10   0.858   4.502   4.247
   80   1H6   HAC  10          1H6       HAC  10   0.582   1.878   2.732
   81   2H6   HAC  10          2H6       HAC  10  -0.563   2.521   3.890
   82   1H7   HAC  10          1H7       HAC  10  -1.460   2.618   0.295
   83   2H7   HAC  10          2H7       HAC  10  -1.695   1.721   1.737
   84    H8   HAC  10           H8       HAC  10  -3.146   3.670   2.572
   85   1HN8  HAC  10          1HN8      HAC  10  -3.916   1.749   0.383
   86    H    ARG  11           H        ARG  11  -2.678   5.850   1.991
   87    HA   ARG  11           HA       ARG  11  -3.048   6.461  -0.910
   88   1HB   ARG  11          1HB       ARG  11  -4.176   8.523  -0.372
   89   2HB   ARG  11          2HB       ARG  11  -4.993   7.211   0.434
   90   1HG   ARG  11          2HG       ARG  11  -4.063   7.800   2.589
   91   2HG   ARG  11          1HG       ARG  11  -2.964   8.970   1.868
   92   1HD   ARG  11          2HD       ARG  11  -4.921  10.290   1.044
   93   2HD   ARG  11          1HD       ARG  11  -6.002   9.153   1.847
   94    HE   ARG  11           HE       ARG  11  -3.947  10.737   3.349
   95   1HH1  ARG  11          2HH2      ARG  11  -5.513   8.644   4.758
   96   2HH1  ARG  11          1HH2      ARG  11  -6.820   9.546   5.449
   97   1HH2  ARG  11          1HH1      ARG  11  -6.268  12.303   3.350
   98   2HH2  ARG  11          2HH1      ARG  11  -7.262  11.680   4.624
   99    H    SER  12           H        SER  12  -2.079   8.059  -1.768
  100    HA   SER  12           HA       SER  12   0.264   9.365  -0.449
  101   1HB   SER  12          2HB       SER  12   0.244   8.089  -3.243
  102   2HB   SER  12          1HB       SER  12   1.608   8.942  -2.539
  103    HG   SER  12           HG       SER  12   0.892   6.404  -2.166
  104    H    ALA  13           H        ALA  13   0.990  11.214  -1.869
  105    HA   ALA  13           HA       ALA  13  -1.397  12.709  -2.863
  106   1HB   ALA  13          1HB       ALA  13  -0.038  13.771  -1.070
  107   2HB   ALA  13          2HB       ALA  13   0.045  14.711  -2.555
  108   3HB   ALA  13          3HB       ALA  13   1.391  13.679  -2.091
  109    H    ASP  14           H        ASP  14   1.495  11.216  -3.692
  110    HA   ASP  14           HA       ASP  14   1.507  12.175  -6.520
  111   1HB   ASP  14          1HB       ASP  14   3.565  12.767  -5.310
  112   2HB   ASP  14          2HB       ASP  14   3.709  11.137  -4.667
  113    H    SER  15           H        SER  15   2.624  10.256  -7.867
  114    HA   SER  15           HA       SER  15   1.041   7.786  -7.289
  115   1HB   SER  15          2HB       SER  15   2.210   8.857  -9.913
  116   2HB   SER  15          1HB       SER  15   1.289   7.350  -9.755
  117    HG   SER  15           HG       SER  15   0.392   9.886  -9.815
  118    H    SER  16           H        SER  16   4.207   8.735  -8.667
  119    HA   SER  16           HA       SER  16   5.559   6.339  -8.748
  120   1HB   SER  16          2HB       SER  16   6.747   8.913  -7.554
  121   2HB   SER  16          1HB       SER  16   7.649   7.582  -8.288
  122    HG   SER  16           HG       SER  16   6.419   9.605  -9.492
  123    H    ASN  17           H        ASN  17   5.262   8.368  -5.934
  124    HA   ASN  17           HA       ASN  17   6.515   6.914  -3.936
  125   1HB   ASN  17          1HB       ASN  17   5.576   9.183  -3.637
  126   2HB   ASN  17          2HB       ASN  17   3.946   8.538  -3.765
  127   1HD2  ASN  17          1HD2      ASN  17   6.611   9.062  -1.617
  128   2HD2  ASN  17          2HD2      ASN  17   5.912   8.360  -0.235
  129    H    LEU  18           H        LEU  18   3.101   6.693  -4.799
  130    HA   LEU  18           HA       LEU  18   2.386   4.582  -3.059
  131   1HB   LEU  18          1HB       LEU  18   0.803   6.120  -4.352
  132   2HB   LEU  18          2HB       LEU  18   1.224   5.244  -5.818
  133    HG   LEU  18           HG       LEU  18   0.327   3.103  -4.663
  134   1HD1  LEU  18          1HD1      LEU  18  -0.798   5.210  -2.749
  135   2HD1  LEU  18          2HD1      LEU  18   0.413   4.014  -2.313
  136   3HD1  LEU  18          3HD1      LEU  18  -1.206   3.510  -2.753
  137   1HD2  LEU  18          1HD2      LEU  18  -1.949   3.706  -5.208
  138   2HD2  LEU  18          2HD2      LEU  18  -0.880   4.401  -6.402
  139   3HD2  LEU  18          3HD2      LEU  18  -1.579   5.425  -5.155
  140    H    LYS  19           H        LYS  19   3.483   4.506  -6.372
  141    HA   LYS  19           HA       LYS  19   3.261   1.692  -6.802
  142   1HB   LYS  19          1HB       LYS  19   5.451   3.580  -7.872
  143   2HB   LYS  19          2HB       LYS  19   5.065   2.011  -8.547
  144   1HG   LYS  19          2HG       LYS  19   2.714   2.810  -8.948
  145   2HG   LYS  19          1HG       LYS  19   3.175   4.399  -8.373
  146   1HD   LYS  19          2HD       LYS  19   4.884   4.561 -10.191
  147   2HD   LYS  19          1HD       LYS  19   4.369   2.996 -10.801
  148   1HE   LYS  19          2HE       LYS  19   2.633   5.505 -10.587
  149   2HE   LYS  19          1HE       LYS  19   3.250   4.789 -12.068
  150   1HZ   LYS  19          1HZ       LYS  19   0.903   4.177 -10.697
  151   2HZ   LYS  19          2HZ       LYS  19   1.894   2.801 -10.645
  152   3HZ   LYS  19          3HZ       LYS  19   1.490   3.499 -12.141
  153    H    THR  20           H        THR  20   6.057   3.548  -5.691
  154    HA   THR  20           HA       THR  20   7.845   1.509  -5.051
  155    HB   THR  20           HB       THR  20   7.310   4.004  -3.301
  156    HG1  THR  20           HG1      THR  20   7.910   4.937  -5.077
  157   1HG2  THR  20          1HG2      THR  20   9.734   3.839  -2.838
  158   2HG2  THR  20          2HG2      THR  20   9.896   2.464  -3.919
  159   3HG2  THR  20          3HG2      THR  20   9.028   2.295  -2.400
  160    H    HIS  21           H        HIS  21   5.400   2.909  -2.866
  161    HA   HIS  21           HA       HIS  21   5.562   1.234  -0.678
  162   1HB   HIS  21          1HB       HIS  21   4.006   2.975  -0.457
  163   2HB   HIS  21          2HB       HIS  21   3.230   2.676  -1.991
  164    HD1  HIS  21           HD1      HIS  21   3.325   1.225   1.470
  165    HD2  HIS  21           HD2      HIS  21   1.137   0.902  -1.964
  166    HE1  HIS  21           HE1      HIS  21   1.347  -0.163   2.021
  167    H    ILE  22           H        ILE  22   3.504   0.545  -3.561
  168    HA   ILE  22           HA       ILE  22   2.695  -2.046  -2.700
  169    HB   ILE  22           HB       ILE  22   3.125  -1.029  -5.571
  170   1HG1  ILE  22          2HG1      ILE  22   0.544  -1.310  -3.959
  171   2HG1  ILE  22          1HG1      ILE  22   1.447   0.180  -3.992
  172   1HG2  ILE  22          1HG2      ILE  22   1.499  -3.441  -4.570
  173   2HG2  ILE  22          2HG2      ILE  22   3.006  -3.557  -5.454
  174   3HG2  ILE  22          3HG2      ILE  22   1.587  -2.899  -6.234
  175   1HD1  ILE  22          1HD1      ILE  22   1.168   0.252  -6.493
  176   2HD1  ILE  22          2HD1      ILE  22  -0.376   0.223  -5.660
  177   3HD1  ILE  22          3HD1      ILE  22   0.235  -1.238  -6.419
  178    H    LYS  23           H        LYS  23   5.547  -1.085  -4.538
  179    HA   LYS  23           HA       LYS  23   6.554  -3.859  -4.588
  180   1HB   LYS  23          1HB       LYS  23   6.752  -2.083  -6.466
  181   2HB   LYS  23          2HB       LYS  23   8.020  -1.361  -5.493
  182   1HG   LYS  23          2HG       LYS  23   9.346  -3.458  -5.601
  183   2HG   LYS  23          1HG       LYS  23   8.045  -4.252  -6.474
  184   1HD   LYS  23          2HD       LYS  23   8.310  -2.477  -8.299
  185   2HD   LYS  23          1HD       LYS  23   9.694  -1.859  -7.414
  186   1HE   LYS  23          2HE       LYS  23  10.468  -3.372  -9.195
  187   2HE   LYS  23          1HE       LYS  23  10.813  -4.105  -7.637
  188   1HZ   LYS  23          1HZ       LYS  23   8.234  -4.854  -8.434
  189   2HZ   LYS  23          2HZ       LYS  23   9.601  -5.833  -8.205
  190   3HZ   LYS  23          3HZ       LYS  23   9.298  -5.133  -9.725
  191    H    THR  24           H        THR  24   6.293  -2.061  -2.098
  192    HA   THR  24           HA       THR  24   9.023  -2.545  -0.964
  193    HB   THR  24           HB       THR  24   7.062  -0.283  -0.249
  194    HG1  THR  24           HG1      THR  24   8.232   0.682  -1.689
  195   1HG2  THR  24          1HG2      THR  24   8.537  -1.116   1.718
  196   2HG2  THR  24          2HG2      THR  24   8.922   0.510   1.191
  197   3HG2  THR  24          3HG2      THR  24   9.938  -0.832   0.693
  198    H    LYS  25           H        LYS  25   5.604  -2.305  -0.152
  199    HA   LYS  25           HA       LYS  25   5.960  -4.033   2.234
  200   1HB   LYS  25          1HB       LYS  25   3.625  -2.292   1.320
  201   2HB   LYS  25          2HB       LYS  25   3.632  -3.262   2.789
  202   1HG   LYS  25          2HG       LYS  25   5.777  -2.033   3.463
  203   2HG   LYS  25          1HG       LYS  25   5.507  -0.964   2.100
  204   1HD   LYS  25          2HD       LYS  25   3.339  -0.261   3.039
  205   2HD   LYS  25          1HD       LYS  25   3.521  -1.403   4.361
  206   1HE   LYS  25          2HE       LYS  25   5.608  -0.228   5.074
  207   2HE   LYS  25          1HE       LYS  25   5.372   0.943   3.781
  208   1HZ   LYS  25          1HZ       LYS  25   4.049   2.065   5.095
  209   2HZ   LYS  25          2HZ       LYS  25   4.251   0.919   6.330
  210   3HZ   LYS  25          3HZ       LYS  25   2.988   0.744   5.212
  211    H    HIS  26           H        HIS  26   4.014  -3.700  -0.734
  212    HA   HIS  26           HA       HIS  26   3.139  -6.565  -0.389
  213   1HB   HIS  26          1HB       HIS  26   2.320  -4.694  -2.674
  214   2HB   HIS  26          2HB       HIS  26   1.528  -6.170  -2.146
  215    HD1  HIS  26           HD1      HIS  26   0.598  -5.740   0.565
  216    HD2  HIS  26           HD2      HIS  26   0.968  -2.525  -1.943
  217    HE1  HIS  26           HE1      HIS  26  -0.856  -3.919   1.494
  218    H    SER  27           H        SER  27   5.752  -5.405  -0.943
  219    HA   SER  27           HA       SER  27   7.359  -5.190  -2.723
  220   1HB   SER  27          2HB       SER  27   7.296  -7.895  -1.324
  221   2HB   SER  27          1HB       SER  27   8.733  -7.197  -2.098
  222    HG   SER  27           HG       SER  27   8.923  -5.974  -0.433
  223    H    LYS  28           H        LYS  28   7.633  -8.432  -3.293
  224    HA   LYS  28           HA       LYS  28   6.649  -8.172  -6.098
  225   1HB   LYS  28          1HB       LYS  28   8.556  -9.622  -6.723
  226   2HB   LYS  28          2HB       LYS  28   9.080  -8.120  -5.992
  227   1HG   LYS  28          2HG       LYS  28   9.166  -9.506  -3.734
  228   2HG   LYS  28          1HG       LYS  28   9.020 -10.913  -4.767
  229   1HD   LYS  28          2HD       LYS  28  11.379 -10.541  -4.329
  230   2HD   LYS  28          1HD       LYS  28  11.072 -10.172  -6.016
  231   1HE   LYS  28          2HE       LYS  28  11.083  -7.759  -5.561
  232   2HE   LYS  28          1HE       LYS  28  11.141  -8.038  -3.829
  233   1HZ   LYS  28          1HZ       LYS  28  13.243  -7.831  -5.636
  234   2HZ   LYS  28          2HZ       LYS  28  13.259  -9.414  -5.016
  235   3HZ   LYS  28          3HZ       LYS  28  13.316  -8.090  -3.959
  236    H    GLU  29           H        GLU  29   6.619  -9.927  -3.220
  237    HA   GLU  29           HA       GLU  29   6.176 -12.479  -3.233
  238   1HB   GLU  29          1HB       GLU  29   5.225 -10.740  -1.566
  239   2HB   GLU  29          2HB       GLU  29   3.768 -10.719  -2.529
  240   1HG   GLU  29          2HG       GLU  29   4.907 -13.106  -1.014
  241   2HG   GLU  29          1HG       GLU  29   3.457 -12.212  -0.624
  242    H    LYS  30           H        LYS  30   3.701 -10.453  -4.594
  243    HA   LYS  30           HA       LYS  30   2.866 -12.554  -6.543
  244   1HB   LYS  30          1HB       LYS  30   1.069 -12.168  -4.929
  245   2HB   LYS  30          2HB       LYS  30   1.242 -10.426  -5.065
  246   1HG   LYS  30          2HG       LYS  30   0.506 -10.518  -7.428
  247   2HG   LYS  30          1HG       LYS  30   0.423 -12.270  -7.358
  248   1HD   LYS  30          2HD       LYS  30  -1.341 -12.131  -5.647
  249   2HD   LYS  30          1HD       LYS  30  -1.227 -10.380  -5.628
  250   1HE   LYS  30          2HE       LYS  30  -1.912 -12.017  -8.110
  251   2HE   LYS  30          1HE       LYS  30  -3.108 -11.255  -7.075
  252   1HZ   LYS  30          1HZ       LYS  30  -2.852  -9.425  -8.215
  253   2HZ   LYS  30          2HZ       LYS  30  -1.633 -10.130  -9.163
  254   3HZ   LYS  30          3HZ       LYS  30  -1.239  -9.289  -7.741
  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1  -9.732  12.407  -5.405
    2   2H    LYS   1          2H        LYS   1  -8.118  12.275  -5.914
    3   3H    LYS   1          3H        LYS   1  -8.977  13.717  -6.180
    4    HA   LYS   1           HA       LYS   1  -8.298  14.514  -4.265
    5   1HB   LYS   1          2HB       LYS   1 -10.354  13.509  -3.303
    6   2HB   LYS   1          1HB       LYS   1  -9.539  11.973  -3.098
    7   1HG   LYS   1          2HG       LYS   1  -7.859  13.242  -1.547
    8   2HG   LYS   1          1HG       LYS   1  -8.994  14.576  -1.616
    9   1HD   LYS   1          2HD       LYS   1 -10.768  13.187  -0.661
   10   2HD   LYS   1          1HD       LYS   1  -9.748  11.759  -0.744
   11   1HE   LYS   1          2HE       LYS   1  -8.131  12.850   0.830
   12   2HE   LYS   1          1HE       LYS   1  -9.217  14.229   0.967
   13   1HZ   LYS   1          1HZ       LYS   1  -9.280  11.838   2.377
   14   2HZ   LYS   1          2HZ       LYS   1 -10.671  11.872   1.406
   15   3HZ   LYS   1          3HZ       LYS   1 -10.356  13.146   2.484
   16    H    THR   2           H        THR   2  -7.867  11.071  -3.749
   17    HA   THR   2           HA       THR   2  -4.954  11.475  -3.227
   18    HB   THR   2           HB       THR   2  -6.148  10.997  -1.152
   19    HG1  THR   2           HG1      THR   2  -4.144   9.734  -1.840
   20   1HG2  THR   2          1HG2      THR   2  -7.089   8.410  -2.530
   21   2HG2  THR   2          2HG2      THR   2  -8.154   9.755  -2.156
   22   3HG2  THR   2          3HG2      THR   2  -7.402   8.839  -0.860
   23    H    TYR   3           H        TYR   3  -3.831   9.450  -3.206
   24    HA   TYR   3           HA       TYR   3  -4.211   7.871  -5.713
   25   1HB   TYR   3          1HB       TYR   3  -1.709   8.528  -4.047
   26   2HB   TYR   3          2HB       TYR   3  -1.703   7.390  -5.380
   27    HD1  TYR   3           HD1      TYR   3  -2.825  10.937  -4.723
   28    HD2  TYR   3           HD2      TYR   3  -1.007   8.192  -7.428
   29    HE1  TYR   3           HE1      TYR   3  -2.436  12.753  -6.309
   30    HE2  TYR   3           HE2      TYR   3  -0.617  10.015  -9.009
   31    HH   TYR   3           HH       TYR   3  -1.507  13.355  -8.233
   32    H    GLN   4           H        GLN   4  -5.499   6.317  -4.927
   33    HA   GLN   4           HA       GLN   4  -4.883   5.006  -2.359
   34   1HB   GLN   4          1HB       GLN   4  -7.175   5.616  -2.592
   35   2HB   GLN   4          2HB       GLN   4  -7.276   4.948  -4.209
   36   1HG   GLN   4          2HG       GLN   4  -8.362   3.532  -2.376
   37   2HG   GLN   4          1HG       GLN   4  -7.202   2.669  -3.363
   38   1HE2  GLN   4          2HE2      GLN   4  -5.777   1.466  -2.192
   39   2HE2  GLN   4          1HE2      GLN   4  -5.277   1.769  -0.599
   40    H    CYS   5           H        CYS   5  -3.640   3.335  -2.313
   41    HA   CYS   5           HA       CYS   5  -2.392   1.951  -4.306
   42   1HB   CYS   5          1HB       CYS   5  -1.850   1.829  -1.942
   43   2HB   CYS   5          2HB       CYS   5  -3.322   0.905  -1.638
   44    H    GLN   6           H        GLN   6  -2.487  -0.240  -4.997
   45    HA   GLN   6           HA       GLN   6  -5.288  -1.104  -5.689
   46   1HB   GLN   6          1HB       GLN   6  -4.279  -2.223  -7.642
   47   2HB   GLN   6          2HB       GLN   6  -3.812  -0.538  -7.613
   48   1HG   GLN   6          2HG       GLN   6  -1.609  -1.141  -6.613
   49   2HG   GLN   6          1HG       GLN   6  -2.085  -2.831  -6.554
   50   1HE2  GLN   6          2HE2      GLN   6  -0.333  -0.682  -8.391
   51   2HE2  GLN   6          1HE2      GLN   6  -0.400  -1.492  -9.881
   52    H    TYR   7           H        TYR   7  -3.578  -1.735  -3.275
   53    HA   TYR   7           HA       TYR   7  -4.027  -4.675  -3.269
   54   1HB   TYR   7          1HB       TYR   7  -1.522  -3.167  -2.533
   55   2HB   TYR   7          2HB       TYR   7  -1.833  -4.744  -1.822
   56    HD1  TYR   7           HD1      TYR   7  -2.461  -6.638  -3.546
   57    HD2  TYR   7           HD2      TYR   7  -0.366  -3.083  -4.594
   58    HE1  TYR   7           HE1      TYR   7  -1.580  -7.748  -5.538
   59    HE2  TYR   7           HE2      TYR   7   0.511  -4.200  -6.594
   60    HH   TYR   7           HH       TYR   7  -0.254  -7.592  -7.304
   61    H    CYS   8           H        CYS   8  -3.093  -1.967  -1.247
   62    HA   CYS   8           HA       CYS   8  -4.840  -2.969   0.971
   63   1HB   CYS   8          1HB       CYS   8  -3.284  -1.992   2.501
   64   2HB   CYS   8          2HB       CYS   8  -2.305  -2.731   1.261
   65    H    GLU   9           H        GLU   9  -4.713  -0.592   2.416
   66    HA   GLU   9           HA       GLU   9  -6.421   1.244   0.783
   67   1HB   GLU   9          1HB       GLU   9  -7.415  -0.163   2.765
   68   2HB   GLU   9          2HB       GLU   9  -6.565   0.960   3.815
   69   1HG   GLU   9          2HG       GLU   9  -8.575   1.782   1.668
   70   2HG   GLU   9          1HG       GLU   9  -8.982   1.570   3.353
   71    H1   HAC  10           H1       HAC  10  -0.920   4.790   1.967
   72   1H2   HAC  10          1H2       HAC  10   0.288   4.674  -0.226
   73   2H2   HAC  10          2H2       HAC  10   1.095   3.221   0.303
   74   1H3   HAC  10          1H3       HAC  10   1.349   5.972   1.598
   75   2H3   HAC  10          2H3       HAC  10   2.570   5.193   0.606
   76   1H4   HAC  10          1H4       HAC  10   2.801   3.384   2.271
   77   2H4   HAC  10          2H4       HAC  10   3.050   4.939   3.050
   78   1H5   HAC  10          1H5       HAC  10   1.579   3.474   4.410
   79   2H5   HAC  10          2H5       HAC  10   0.738   4.928   3.912
   80   1H6   HAC  10          1H6       HAC  10   0.525   2.180   2.613
   81   2H6   HAC  10          2H6       HAC  10  -0.711   2.949   3.583
   82   1H7   HAC  10          1H7       HAC  10  -1.451   3.075  -0.126
   83   2H7   HAC  10          2H7       HAC  10  -1.402   1.924   1.153
   84    H8   HAC  10           H8       HAC  10  -2.912   3.657   2.480
   85   1HN8  HAC  10          1HN8      HAC  10  -3.876   1.736   0.408
   86    H    ARG  11           H        ARG  11  -2.799   5.796   2.099
   87    HA   ARG  11           HA       ARG  11  -3.899   6.859  -0.471
   88   1HB   ARG  11          1HB       ARG  11  -4.499   7.658   2.396
   89   2HB   ARG  11          2HB       ARG  11  -4.950   8.660   1.025
   90   1HG   ARG  11          2HG       ARG  11  -6.288   6.829   0.056
   91   2HG   ARG  11          1HG       ARG  11  -5.745   5.722   1.296
   92   1HD   ARG  11          2HD       ARG  11  -7.300   8.230   1.987
   93   2HD   ARG  11          1HD       ARG  11  -8.081   6.689   1.651
   94    HE   ARG  11           HE       ARG  11  -6.645   5.749   3.537
   95   1HH1  ARG  11          2HH1      ARG  11  -5.105   8.238   4.092
   96   2HH1  ARG  11          1HH1      ARG  11  -5.976   8.920   5.424
   97   1HH2  ARG  11          2HH2      ARG  11  -8.802   6.937   4.866
   98   2HH2  ARG  11          1HH2      ARG  11  -8.120   8.166   5.875
   99    H    SER  12           H        SER  12  -2.161   7.531  -1.439
  100    HA   SER  12           HA       SER  12  -0.224   9.359  -0.068
  101   1HB   SER  12          2HB       SER  12   0.067   7.859  -2.731
  102   2HB   SER  12          1HB       SER  12   1.317   8.796  -1.937
  103    HG   SER  12           HG       SER  12   0.267   7.118  -0.142
  104    H    ALA  13           H        ALA  13   0.672  10.972  -1.862
  105    HA   ALA  13           HA       ALA  13  -1.683  12.218  -3.244
  106   1HB   ALA  13          1HB       ALA  13  -0.938  13.529  -1.282
  107   2HB   ALA  13          2HB       ALA  13  -0.612  14.405  -2.771
  108   3HB   ALA  13          3HB       ALA  13   0.693  13.592  -1.931
  109    H    ASP  14           H        ASP  14   1.106  10.619  -3.777
  110    HA   ASP  14           HA       ASP  14   1.528  11.885  -6.449
  111   1HB   ASP  14          1HB       ASP  14   3.270  12.640  -4.897
  112   2HB   ASP  14          2HB       ASP  14   3.601  10.983  -4.405
  113    H    SER  15           H        SER  15   2.694  10.376  -7.962
  114    HA   SER  15           HA       SER  15   1.466   7.679  -7.779
  115   1HB   SER  15          2HB       SER  15   2.061   7.513 -10.207
  116   2HB   SER  15          1HB       SER  15   1.208   9.026  -9.910
  117    HG   SER  15           HG       SER  15   3.770   8.601 -10.693
  118    H    SER  16           H        SER  16   4.593   8.997  -8.766
  119    HA   SER  16           HA       SER  16   6.303   6.892  -8.913
  120   1HB   SER  16          2HB       SER  16   6.948   9.445  -7.336
  121   2HB   SER  16          1HB       SER  16   8.080   8.446  -8.252
  122    HG   SER  16           HG       SER  16   5.795   9.294  -9.610
  123    H    ASN  17           H        ASN  17   5.350   8.491  -6.027
  124    HA   ASN  17           HA       ASN  17   6.591   6.870  -4.067
  125   1HB   ASN  17          1HB       ASN  17   4.063   8.559  -3.843
  126   2HB   ASN  17          2HB       ASN  17   5.014   7.975  -2.489
  127   1HD2  ASN  17          2HD2      ASN  17   7.170   8.825  -5.004
  128   2HD2  ASN  17          1HD2      ASN  17   7.518  10.397  -4.471
  129    H    LEU  18           H        LEU  18   3.136   6.797  -5.096
  130    HA   LEU  18           HA       LEU  18   2.369   4.626  -3.477
  131   1HB   LEU  18          1HB       LEU  18   0.842   6.111  -4.987
  132   2HB   LEU  18          2HB       LEU  18   1.352   5.113  -6.344
  133    HG   LEU  18           HG       LEU  18   0.369   3.058  -5.053
  134   1HD1  LEU  18          1HD1      LEU  18   0.405   4.128  -2.773
  135   2HD1  LEU  18          2HD1      LEU  18  -1.196   3.582  -3.226
  136   3HD1  LEU  18          3HD1      LEU  18  -0.792   5.286  -3.316
  137   1HD2  LEU  18          1HD2      LEU  18  -0.849   4.207  -6.892
  138   2HD2  LEU  18          2HD2      LEU  18  -1.536   5.327  -5.737
  139   3HD2  LEU  18          3HD2      LEU  18  -1.942   3.622  -5.650
  140    H    LYS  19           H        LYS  19   3.887   4.629  -6.604
  141    HA   LYS  19           HA       LYS  19   3.775   1.758  -6.982
  142   1HB   LYS  19          1HB       LYS  19   6.074   3.546  -8.005
  143   2HB   LYS  19          2HB       LYS  19   5.496   2.052  -8.717
  144   1HG   LYS  19          2HG       LYS  19   3.239   3.300  -9.087
  145   2HG   LYS  19          1HG       LYS  19   4.133   4.759  -8.719
  146   1HD   LYS  19          2HD       LYS  19   5.823   3.913 -10.555
  147   2HD   LYS  19          1HD       LYS  19   4.500   2.879 -11.057
  148   1HE   LYS  19          2HE       LYS  19   4.305   4.880 -12.385
  149   2HE   LYS  19          1HE       LYS  19   3.047   5.020 -11.169
  150   1HZ   LYS  19          1HZ       LYS  19   4.000   6.932 -10.500
  151   2HZ   LYS  19          2HZ       LYS  19   5.208   6.721 -11.657
  152   3HZ   LYS  19          3HZ       LYS  19   5.400   6.058 -10.112
  153    H    THR  20           H        THR  20   6.440   3.845  -5.814
  154    HA   THR  20           HA       THR  20   8.286   1.988  -4.941
  155    HB   THR  20           HB       THR  20   7.441   4.498  -3.353
  156    HG1  THR  20           HG1      THR  20   9.590   4.682  -4.945
  157   1HG2  THR  20          1HG2      THR  20   9.812   4.489  -2.630
  158   2HG2  THR  20          2HG2      THR  20  10.156   3.087  -3.629
  159   3HG2  THR  20          3HG2      THR  20   9.138   2.927  -2.205
  160    H    HIS  21           H        HIS  21   5.461   3.106  -3.181
  161    HA   HIS  21           HA       HIS  21   5.663   1.606  -0.818
  162   1HB   HIS  21          1HB       HIS  21   4.031   3.298  -0.825
  163   2HB   HIS  21          2HB       HIS  21   3.367   2.847  -2.376
  164    HD1  HIS  21           HD1      HIS  21   3.317   1.675   1.181
  165    HD2  HIS  21           HD2      HIS  21   1.306   1.040  -2.315
  166    HE1  HIS  21           HE1      HIS  21   1.326   0.295   1.739
  167    H    ILE  22           H        ILE  22   3.653   0.755  -3.683
  168    HA   ILE  22           HA       ILE  22   2.928  -1.854  -2.939
  169    HB   ILE  22           HB       ILE  22   3.596  -0.741  -5.706
  170   1HG1  ILE  22          2HG1      ILE  22   0.884  -1.149  -4.358
  171   2HG1  ILE  22          1HG1      ILE  22   1.748   0.368  -4.267
  172   1HG2  ILE  22          1HG2      ILE  22   2.040  -3.257  -4.943
  173   2HG2  ILE  22          2HG2      ILE  22   3.607  -3.235  -5.738
  174   3HG2  ILE  22          3HG2      ILE  22   2.198  -2.630  -6.573
  175   1HD1  ILE  22          1HD1      ILE  22   0.848  -0.965  -6.849
  176   2HD1  ILE  22          2HD1      ILE  22   1.725   0.545  -6.738
  177   3HD1  ILE  22          3HD1      ILE  22   0.095   0.429  -6.093
  178    H    LYS  23           H        LYS  23   5.778  -0.925  -4.748
  179    HA   LYS  23           HA       LYS  23   6.992  -3.411  -5.139
  180   1HB   LYS  23          1HB       LYS  23   8.276  -0.683  -4.687
  181   2HB   LYS  23          2HB       LYS  23   9.141  -2.067  -5.304
  182   1HG   LYS  23          2HG       LYS  23   6.647  -0.950  -6.650
  183   2HG   LYS  23          1HG       LYS  23   8.273  -0.456  -7.075
  184   1HD   LYS  23          2HD       LYS  23   8.860  -2.772  -7.694
  185   2HD   LYS  23          1HD       LYS  23   7.284  -3.348  -7.193
  186   1HE   LYS  23          2HE       LYS  23   7.728  -1.308  -9.405
  187   2HE   LYS  23          1HE       LYS  23   7.413  -3.019  -9.660
  188   1HZ   LYS  23          1HZ       LYS  23   5.279  -2.619  -9.503
  189   2HZ   LYS  23          2HZ       LYS  23   5.575  -0.967  -9.241
  190   3HZ   LYS  23          3HZ       LYS  23   5.465  -2.028  -7.923
  191    H    THR  24           H        THR  24   6.867  -1.637  -2.183
  192    HA   THR  24           HA       THR  24   8.864  -3.455  -0.922
  193    HB   THR  24           HB       THR  24   7.800  -0.808   0.168
  194    HG1  THR  24           HG1      THR  24   8.808  -0.369  -1.680
  195   1HG2  THR  24          1HG2      THR  24  10.415  -2.364   0.649
  196   2HG2  THR  24          2HG2      THR  24   9.081  -2.378   1.785
  197   3HG2  THR  24          3HG2      THR  24   9.928  -0.879   1.452
  198    H    LYS  25           H        LYS  25   5.642  -2.214  -0.414
  199    HA   LYS  25           HA       LYS  25   5.170  -3.797   1.995
  200   1HB   LYS  25          1HB       LYS  25   3.368  -1.894   0.470
  201   2HB   LYS  25          2HB       LYS  25   3.022  -2.553   2.061
  202   1HG   LYS  25          2HG       LYS  25   5.456  -0.816   1.401
  203   2HG   LYS  25          1HG       LYS  25   3.966  -0.193   2.058
  204   1HD   LYS  25          2HD       LYS  25   5.698  -2.275   3.464
  205   2HD   LYS  25          1HD       LYS  25   5.738  -0.558   3.787
  206   1HE   LYS  25          2HE       LYS  25   3.323  -0.603   4.424
  207   2HE   LYS  25          1HE       LYS  25   3.288  -2.340   4.152
  208   1HZ   LYS  25          1HZ       LYS  25   4.065  -0.979   6.432
  209   2HZ   LYS  25          2HZ       LYS  25   5.448  -1.750   5.819
  210   3HZ   LYS  25          3HZ       LYS  25   4.051  -2.656   6.154
  211    H    HIS  26           H        HIS  26   4.395  -4.216  -1.388
  212    HA   HIS  26           HA       HIS  26   2.547  -6.425  -0.614
  213   1HB   HIS  26          1HB       HIS  26   2.482  -4.591  -3.028
  214   2HB   HIS  26          2HB       HIS  26   1.367  -5.910  -2.792
  215    HD1  HIS  26           HD1      HIS  26   0.670  -5.573   0.131
  216    HD2  HIS  26           HD2      HIS  26   1.031  -2.354  -2.351
  217    HE1  HIS  26           HE1      HIS  26  -0.613  -3.734   1.187
  218    H    SER  27           H        SER  27   4.656  -5.436  -3.157
  219    HA   SER  27           HA       SER  27   5.139  -7.173  -4.980
  220   1HB   SER  27          2HB       SER  27   6.810  -5.467  -4.339
  221   2HB   SER  27          1HB       SER  27   7.411  -6.518  -3.045
  222    HG   SER  27           HG       SER  27   7.983  -6.581  -5.640
  223    H    LYS  28           H        LYS  28   4.133  -9.176  -4.657
  224    HA   LYS  28           HA       LYS  28   4.048 -11.476  -4.311
  225   1HB   LYS  28          1HB       LYS  28   7.086 -11.157  -4.035
  226   2HB   LYS  28          2HB       LYS  28   6.253 -12.677  -4.269
  227   1HG   LYS  28          2HG       LYS  28   5.375 -11.951  -6.439
  228   2HG   LYS  28          1HG       LYS  28   6.092 -10.358  -6.230
  229   1HD   LYS  28          2HD       LYS  28   8.356 -11.326  -6.212
  230   2HD   LYS  28          1HD       LYS  28   7.697 -12.949  -6.306
  231   1HE   LYS  28          2HE       LYS  28   7.254 -10.815  -8.438
  232   2HE   LYS  28          1HE       LYS  28   8.496 -12.054  -8.531
  233   1HZ   LYS  28          1HZ       LYS  28   7.007 -13.432  -9.343
  234   2HZ   LYS  28          2HZ       LYS  28   5.804 -12.235  -9.233
  235   3HZ   LYS  28          3HZ       LYS  28   6.068 -13.296  -7.936
  236    H    GLU  29           H        GLU  29   5.030 -13.290  -2.793
  237    HA   GLU  29           HA       GLU  29   4.728 -12.339   0.030
  238   1HB   GLU  29          1HB       GLU  29   2.848 -13.728  -0.869
  239   2HB   GLU  29          2HB       GLU  29   3.976 -15.010  -1.238
  240   1HG   GLU  29          2HG       GLU  29   4.503 -15.248   1.198
  241   2HG   GLU  29          1HG       GLU  29   3.476 -13.872   1.561
  242    H    LYS  30           H        LYS  30   6.417 -14.520  -2.158
  243    HA   LYS  30           HA       LYS  30   8.500 -15.047  -0.063
  244   1HB   LYS  30          1HB       LYS  30   7.899 -16.549  -2.651
  245   2HB   LYS  30          2HB       LYS  30   9.262 -16.892  -1.612
  246   1HG   LYS  30          2HG       LYS  30   7.710 -18.501  -0.947
  247   2HG   LYS  30          1HG       LYS  30   7.514 -17.263   0.270
  248   1HD   LYS  30          2HD       LYS  30   5.525 -16.373  -0.925
  249   2HD   LYS  30          1HD       LYS  30   5.742 -17.562  -2.196
  250   1HE   LYS  30          2HE       LYS  30   4.029 -18.351  -0.618
  251   2HE   LYS  30          1HE       LYS  30   5.444 -19.377  -0.479
  252   1HZ   LYS  30          1HZ       LYS  30   4.211 -17.872   1.507
  253   2HZ   LYS  30          2HZ       LYS  30   5.762 -17.225   1.270
  254   3HZ   LYS  30          3HZ       LYS  30   5.577 -18.872   1.637
  Start of MODEL    5
    1   1H    LYS   1          1H        LYS   1  -7.273  11.576  -8.654
    2   2H    LYS   1          2H        LYS   1  -7.451  12.568 -10.021
    3   3H    LYS   1          3H        LYS   1  -8.684  12.496  -8.856
    4    HA   LYS   1           HA       LYS   1  -6.500  14.225  -8.981
    5   1HB   LYS   1          2HB       LYS   1  -7.609  15.224  -6.953
    6   2HB   LYS   1          1HB       LYS   1  -8.707  14.959  -8.290
    7   1HG   LYS   1          2HG       LYS   1  -9.675  12.991  -7.221
    8   2HG   LYS   1          1HG       LYS   1  -8.454  12.976  -5.966
    9   1HD   LYS   1          2HD       LYS   1  -9.232  15.176  -5.150
   10   2HD   LYS   1          1HD       LYS   1 -10.465  15.217  -6.396
   11   1HE   LYS   1          2HE       LYS   1 -11.433  14.438  -4.260
   12   2HE   LYS   1          1HE       LYS   1 -11.477  13.131  -5.426
   13   1HZ   LYS   1          1HZ       LYS   1 -10.285  13.170  -2.919
   14   2HZ   LYS   1          2HZ       LYS   1  -9.028  12.980  -4.037
   15   3HZ   LYS   1          3HZ       LYS   1 -10.328  11.904  -4.042
   16    H    THR   2           H        THR   2  -7.276  11.659  -6.702
   17    HA   THR   2           HA       THR   2  -4.638  12.086  -5.349
   18    HB   THR   2           HB       THR   2  -7.123  10.688  -4.208
   19    HG1  THR   2           HG1      THR   2  -6.496  13.116  -3.201
   20   1HG2  THR   2          1HG2      THR   2  -4.895  10.248  -2.992
   21   2HG2  THR   2          2HG2      THR   2  -6.030  11.161  -2.025
   22   3HG2  THR   2          3HG2      THR   2  -4.698  11.985  -2.823
   23    H    TYR   3           H        TYR   3  -3.767  10.081  -4.462
   24    HA   TYR   3           HA       TYR   3  -4.095   7.739  -6.291
   25   1HB   TYR   3          1HB       TYR   3  -1.560   9.020  -5.214
   26   2HB   TYR   3          2HB       TYR   3  -1.569   7.387  -5.855
   27    HD1  TYR   3           HD1      TYR   3  -2.788  10.818  -6.885
   28    HD2  TYR   3           HD2      TYR   3  -1.011   7.134  -8.067
   29    HE1  TYR   3           HE1      TYR   3  -2.541  11.668  -9.159
   30    HE2  TYR   3           HE2      TYR   3  -0.758   7.990 -10.341
   31    HH   TYR   3           HH       TYR   3  -1.752  11.280 -11.203
   32    H    GLN   4           H        GLN   4  -4.842   6.055  -5.212
   33    HA   GLN   4           HA       GLN   4  -3.898   5.602  -2.404
   34   1HB   GLN   4          1HB       GLN   4  -6.131   4.921  -1.809
   35   2HB   GLN   4          2HB       GLN   4  -6.332   6.389  -2.713
   36   1HG   GLN   4          2HG       GLN   4  -7.984   5.061  -3.668
   37   2HG   GLN   4          1HG       GLN   4  -6.666   4.834  -4.802
   38   1HE2  GLN   4          2HE2      GLN   4  -6.221   3.185  -1.740
   39   2HE2  GLN   4          1HE2      GLN   4  -6.652   1.646  -2.288
   40    H    CYS   5           H        CYS   5  -3.554   3.286  -1.908
   41    HA   CYS   5           HA       CYS   5  -2.321   1.876  -4.039
   42   1HB   CYS   5          1HB       CYS   5  -1.773   1.697  -1.676
   43   2HB   CYS   5          2HB       CYS   5  -3.274   0.821  -1.388
   44    H    GLN   6           H        GLN   6  -2.614  -0.140  -4.890
   45    HA   GLN   6           HA       GLN   6  -5.489  -0.885  -5.368
   46   1HB   GLN   6          1HB       GLN   6  -3.070  -1.434  -7.142
   47   2HB   GLN   6          2HB       GLN   6  -4.746  -1.734  -7.558
   48   1HG   GLN   6          2HG       GLN   6  -3.536   1.026  -7.029
   49   2HG   GLN   6          1HG       GLN   6  -3.925   0.372  -8.609
   50   1HE2  GLN   6          1HE2      GLN   6  -5.147   2.437  -6.285
   51   2HE2  GLN   6          2HE2      GLN   6  -6.792   2.279  -6.643
   52    H    TYR   7           H        TYR   7  -3.654  -1.692  -3.247
   53    HA   TYR   7           HA       TYR   7  -3.904  -4.659  -3.447
   54   1HB   TYR   7          1HB       TYR   7  -1.520  -3.029  -2.470
   55   2HB   TYR   7          2HB       TYR   7  -1.725  -4.716  -2.020
   56    HD1  TYR   7           HD1      TYR   7  -1.668  -2.551  -5.128
   57    HD2  TYR   7           HD2      TYR   7  -0.749  -6.330  -3.375
   58    HE1  TYR   7           HE1      TYR   7  -0.633  -3.276  -7.216
   59    HE2  TYR   7           HE2      TYR   7   0.287  -7.044  -5.466
   60    HH   TYR   7           HH       TYR   7   0.393  -4.926  -8.309
   61    H    CYS   8           H        CYS   8  -3.274  -1.898  -1.412
   62    HA   CYS   8           HA       CYS   8  -5.053  -2.995   0.734
   63   1HB   CYS   8          1HB       CYS   8  -3.546  -2.136   2.386
   64   2HB   CYS   8          2HB       CYS   8  -2.514  -2.799   1.151
   65    H    GLU   9           H        GLU   9  -5.042  -0.730   2.252
   66    HA   GLU   9           HA       GLU   9  -6.532   1.238   0.543
   67   1HB   GLU   9          1HB       GLU   9  -7.866  -0.206   2.194
   68   2HB   GLU   9          2HB       GLU   9  -7.019   0.621   3.495
   69   1HG   GLU   9          2HG       GLU   9  -7.924   2.795   2.752
   70   2HG   GLU   9          1HG       GLU   9  -8.669   2.044   1.354
   71    H1   HAC  10           H1       HAC  10  -1.035   4.640   2.258
   72   1H2   HAC  10          1H2       HAC  10  -0.280   4.632  -0.140
   73   2H2   HAC  10          2H2       HAC  10   0.674   3.215   0.169
   74   1H3   HAC  10          1H3       HAC  10   1.399   5.984   0.558
   75   2H3   HAC  10          2H3       HAC  10   2.417   4.570   0.701
   76   1H4   HAC  10          1H4       HAC  10   2.496   5.717   2.817
   77   2H4   HAC  10          2H4       HAC  10   0.755   5.865   2.887
   78   1H5   HAC  10          1H5       HAC  10   2.366   3.283   3.086
   79   2H5   HAC  10          2H5       HAC  10   1.462   4.048   4.371
   80   1H6   HAC  10          1H6       HAC  10   0.508   2.070   2.567
   81   2H6   HAC  10          2H6       HAC  10  -0.407   2.909   3.791
   82   1H7   HAC  10          1H7       HAC  10  -1.674   2.687   0.232
   83   2H7   HAC  10          2H7       HAC  10  -1.659   1.810   1.721
   84    H8   HAC  10           H8       HAC  10  -3.211   3.604   2.686
   85   1HN8  HAC  10          1HN8      HAC  10  -4.018   1.714   0.510
   86    H    ARG  11           H        ARG  11  -2.395   5.688   2.036
   87    HA   ARG  11           HA       ARG  11  -3.478   6.801  -0.522
   88   1HB   ARG  11          1HB       ARG  11  -3.371   8.175   2.205
   89   2HB   ARG  11          2HB       ARG  11  -4.047   8.861   0.739
   90   1HG   ARG  11          2HG       ARG  11  -5.118   6.369   2.165
   91   2HG   ARG  11          1HG       ARG  11  -5.809   7.973   2.284
   92   1HD   ARG  11          2HD       ARG  11  -6.382   7.995  -0.081
   93   2HD   ARG  11          1HD       ARG  11  -5.541   6.474  -0.359
   94    HE   ARG  11           HE       ARG  11  -7.958   6.704   1.401
   95   1HH1  ARG  11          2HH2      ARG  11  -6.173   4.218   1.306
   96   2HH1  ARG  11          1HH2      ARG  11  -7.074   3.205   0.228
   97   1HH2  ARG  11          1HH1      ARG  11  -9.044   5.853  -0.940
   98   2HH2  ARG  11          2HH1      ARG  11  -8.743   4.151  -1.069
   99    H    SER  12           H        SER  12  -2.040   7.897  -1.661
  100    HA   SER  12           HA       SER  12   0.627   8.548  -0.502
  101   1HB   SER  12          2HB       SER  12  -0.112   7.596  -3.316
  102   2HB   SER  12          1HB       SER  12   1.493   8.129  -2.865
  103    HG   SER  12           HG       SER  12   0.491   6.428  -1.010
  104    H    ALA  13           H        ALA  13  -1.563   9.305  -3.101
  105    HA   ALA  13           HA       ALA  13  -2.538  11.380  -3.732
  106   1HB   ALA  13          1HB       ALA  13  -0.182  12.792  -2.337
  107   2HB   ALA  13          2HB       ALA  13  -1.771  12.560  -1.610
  108   3HB   ALA  13          3HB       ALA  13  -1.584  13.554  -3.044
  109    H    ASP  14           H        ASP  14   0.797  10.612  -3.831
  110    HA   ASP  14           HA       ASP  14   1.215  11.861  -6.506
  111   1HB   ASP  14          1HB       ASP  14   2.820  12.548  -4.803
  112   2HB   ASP  14          2HB       ASP  14   3.103  10.881  -4.319
  113    H    SER  15           H        SER  15   2.888  10.419  -7.801
  114    HA   SER  15           HA       SER  15   1.647   7.741  -8.086
  115   1HB   SER  15          2HB       SER  15   2.837   7.789 -10.344
  116   2HB   SER  15          1HB       SER  15   1.765   9.190 -10.128
  117    HG   SER  15           HG       SER  15   4.424   9.128 -10.408
  118    H    SER  16           H        SER  16   4.944   9.126  -8.138
  119    HA   SER  16           HA       SER  16   6.436   6.767  -8.052
  120   1HB   SER  16          2HB       SER  16   7.046   9.366  -6.507
  121   2HB   SER  16          1HB       SER  16   8.223   8.106  -6.910
  122    HG   SER  16           HG       SER  16   7.256  10.056  -8.462
  123    H    ASN  17           H        ASN  17   5.326   8.661  -5.361
  124    HA   ASN  17           HA       ASN  17   5.983   7.163  -3.146
  125   1HB   ASN  17          1HB       ASN  17   4.975   9.432  -3.103
  126   2HB   ASN  17          2HB       ASN  17   3.446   8.779  -3.654
  127   1HD2  ASN  17          2HD2      ASN  17   4.948   6.684  -1.321
  128   2HD2  ASN  17          1HD2      ASN  17   4.050   7.218   0.015
  129    H    LEU  18           H        LEU  18   3.102   6.673  -5.180
  130    HA   LEU  18           HA       LEU  18   2.124   4.544  -3.451
  131   1HB   LEU  18          1HB       LEU  18   0.690   6.086  -4.978
  132   2HB   LEU  18          2HB       LEU  18   1.259   5.107  -6.321
  133    HG   LEU  18           HG       LEU  18   0.333   3.038  -5.024
  134   1HD1  LEU  18          1HD1      LEU  18  -1.347   3.557  -3.290
  135   2HD1  LEU  18          2HD1      LEU  18  -1.024   5.267  -3.440
  136   3HD1  LEU  18          3HD1      LEU  18   0.195   4.179  -2.790
  137   1HD2  LEU  18          1HD2      LEU  18  -1.947   3.454  -5.795
  138   2HD2  LEU  18          2HD2      LEU  18  -0.808   4.062  -6.978
  139   3HD2  LEU  18          3HD2      LEU  18  -1.635   5.181  -5.908
  140    H    LYS  19           H        LYS  19   3.638   4.604  -6.658
  141    HA   LYS  19           HA       LYS  19   3.566   1.771  -7.008
  142   1HB   LYS  19          1HB       LYS  19   5.536   3.892  -8.068
  143   2HB   LYS  19          2HB       LYS  19   5.527   2.242  -8.654
  144   1HG   LYS  19          2HG       LYS  19   3.104   4.098  -8.788
  145   2HG   LYS  19          1HG       LYS  19   4.225   3.866 -10.111
  146   1HD   LYS  19          2HD       LYS  19   3.697   1.416 -10.132
  147   2HD   LYS  19          1HD       LYS  19   2.551   1.646  -8.828
  148   1HE   LYS  19          2HE       LYS  19   2.335   3.017 -11.533
  149   2HE   LYS  19          1HE       LYS  19   1.449   1.571 -11.066
  150   1HZ   LYS  19          1HZ       LYS  19   1.108   3.481  -9.057
  151   2HZ   LYS  19          2HZ       LYS  19  -0.050   2.831 -10.116
  152   3HZ   LYS  19          3HZ       LYS  19   0.801   4.230 -10.552
  153    H    THR  20           H        THR  20   6.120   3.805  -5.594
  154    HA   THR  20           HA       THR  20   7.889   1.640  -5.035
  155    HB   THR  20           HB       THR  20   8.579   4.134  -4.817
  156    HG1  THR  20           HG1      THR  20   9.084   3.151  -2.332
  157   1HG2  THR  20          1HG2      THR  20   6.598   4.939  -3.441
  158   2HG2  THR  20          2HG2      THR  20   8.149   5.296  -2.716
  159   3HG2  THR  20          3HG2      THR  20   7.182   3.970  -2.092
  160    H    HIS  21           H        HIS  21   5.266   3.193  -3.127
  161    HA   HIS  21           HA       HIS  21   5.417   1.738  -0.775
  162   1HB   HIS  21          1HB       HIS  21   3.708   3.403  -0.842
  163   2HB   HIS  21          2HB       HIS  21   3.033   2.838  -2.345
  164    HD1  HIS  21           HD1      HIS  21   3.257   1.669   1.224
  165    HD2  HIS  21           HD2      HIS  21   1.021   1.016  -2.128
  166    HE1  HIS  21           HE1      HIS  21   1.397   0.176   1.900
  167    H    ILE  22           H        ILE  22   3.527   0.768  -3.677
  168    HA   ILE  22           HA       ILE  22   2.846  -1.816  -2.724
  169    HB   ILE  22           HB       ILE  22   3.324  -0.877  -5.601
  170   1HG1  ILE  22          2HG1      ILE  22   0.680  -1.248  -4.106
  171   2HG1  ILE  22          1HG1      ILE  22   1.487   0.301  -4.177
  172   1HG2  ILE  22          1HG2      ILE  22   1.946  -2.876  -6.254
  173   2HG2  ILE  22          2HG2      ILE  22   1.846  -3.364  -4.572
  174   3HG2  ILE  22          3HG2      ILE  22   3.386  -3.385  -5.412
  175   1HD1  ILE  22          1HD1      ILE  22   0.526  -1.308  -6.592
  176   2HD1  ILE  22          2HD1      ILE  22   1.360   0.238  -6.675
  177   3HD1  ILE  22          3HD1      ILE  22  -0.234   0.132  -5.941
  178    H    LYS  23           H        LYS  23   5.393  -1.056  -5.058
  179    HA   LYS  23           HA       LYS  23   6.691  -3.398  -5.396
  180   1HB   LYS  23          1HB       LYS  23   7.239  -1.208  -6.430
  181   2HB   LYS  23          2HB       LYS  23   8.061  -0.734  -4.957
  182   1HG   LYS  23          2HG       LYS  23   9.582  -2.798  -5.273
  183   2HG   LYS  23          1HG       LYS  23   8.748  -3.100  -6.778
  184   1HD   LYS  23          2HD       LYS  23  10.812  -1.932  -7.273
  185   2HD   LYS  23          1HD       LYS  23   9.477  -0.846  -7.602
  186   1HE   LYS  23          2HE       LYS  23  11.296   0.313  -6.345
  187   2HE   LYS  23          1HE       LYS  23   9.834   0.266  -5.377
  188   1HZ   LYS  23          1HZ       LYS  23  11.314  -2.070  -4.903
  189   2HZ   LYS  23          2HZ       LYS  23  10.920  -0.818  -3.826
  190   3HZ   LYS  23          3HZ       LYS  23  12.344  -0.731  -4.745
  191    H    THR  24           H        THR  24   6.916  -1.525  -2.445
  192    HA   THR  24           HA       THR  24   8.992  -3.355  -1.367
  193    HB   THR  24           HB       THR  24   9.311  -1.557   0.374
  194    HG1  THR  24           HG1      THR  24   7.374  -0.260  -1.225
  195   1HG2  THR  24          1HG2      THR  24  10.494  -1.309  -1.922
  196   2HG2  THR  24          2HG2      THR  24  10.117   0.230  -1.168
  197   3HG2  THR  24          3HG2      THR  24   9.117  -0.380  -2.476
  198    H    LYS  25           H        LYS  25   5.741  -2.181  -0.440
  199    HA   LYS  25           HA       LYS  25   5.800  -3.864   1.976
  200   1HB   LYS  25          1HB       LYS  25   3.616  -2.012   0.950
  201   2HB   LYS  25          2HB       LYS  25   3.717  -2.706   2.560
  202   1HG   LYS  25          2HG       LYS  25   5.645  -0.692   1.316
  203   2HG   LYS  25          1HG       LYS  25   4.508  -0.379   2.598
  204   1HD   LYS  25          2HD       LYS  25   6.895  -2.282   2.824
  205   2HD   LYS  25          1HD       LYS  25   6.848  -0.650   3.434
  206   1HE   LYS  25          2HE       LYS  25   4.947  -2.844   4.379
  207   2HE   LYS  25          1HE       LYS  25   6.392  -2.315   5.218
  208   1HZ   LYS  25          1HZ       LYS  25   4.922  -0.047   4.590
  209   2HZ   LYS  25          2HZ       LYS  25   5.244  -0.705   6.121
  210   3HZ   LYS  25          3HZ       LYS  25   3.846  -1.171   5.273
  211    H    HIS  26           H        HIS  26   4.463  -4.092  -1.206
  212    HA   HIS  26           HA       HIS  26   2.810  -6.442  -0.392
  213   1HB   HIS  26          1HB       HIS  26   2.563  -4.545  -2.773
  214   2HB   HIS  26          2HB       HIS  26   1.539  -5.943  -2.542
  215    HD1  HIS  26           HD1      HIS  26   0.662  -5.655   0.308
  216    HD2  HIS  26           HD2      HIS  26   1.054  -2.384  -2.104
  217    HE1  HIS  26           HE1      HIS  26  -0.752  -3.864   1.308
  218    H    SER  27           H        SER  27   4.939  -5.036  -2.676
  219    HA   SER  27           HA       SER  27   6.206  -5.816  -4.434
  220   1HB   SER  27          2HB       SER  27   8.105  -7.194  -3.450
  221   2HB   SER  27          1HB       SER  27   7.644  -5.794  -2.469
  222    HG   SER  27           HG       SER  27   7.399  -8.440  -1.923
  223    H    LYS  28           H        LYS  28   5.975  -8.831  -2.792
  224    HA   LYS  28           HA       LYS  28   5.242 -10.251  -5.318
  225   1HB   LYS  28          1HB       LYS  28   7.171 -11.064  -3.111
  226   2HB   LYS  28          2HB       LYS  28   6.706 -12.126  -4.422
  227   1HG   LYS  28          2HG       LYS  28   7.666 -10.713  -6.085
  228   2HG   LYS  28          1HG       LYS  28   7.863  -9.373  -4.974
  229   1HD   LYS  28          2HD       LYS  28   9.521 -10.677  -3.667
  230   2HD   LYS  28          1HD       LYS  28   9.338 -12.035  -4.769
  231   1HE   LYS  28          2HE       LYS  28  10.228  -9.243  -5.618
  232   2HE   LYS  28          1HE       LYS  28  11.329 -10.576  -5.302
  233   1HZ   LYS  28          1HZ       LYS  28   9.343 -11.488  -7.036
  234   2HZ   LYS  28          2HZ       LYS  28  11.000 -11.283  -7.336
  235   3HZ   LYS  28          3HZ       LYS  28   9.916 -10.009  -7.642
  236    H    GLU  29           H        GLU  29   3.054 -10.401  -4.938
  237    HA   GLU  29           HA       GLU  29   2.146 -12.152  -2.671
  238   1HB   GLU  29          1HB       GLU  29   0.546  -9.980  -4.084
  239   2HB   GLU  29          2HB       GLU  29  -0.024 -10.982  -2.766
  240   1HG   GLU  29          2HG       GLU  29   2.236  -8.968  -2.662
  241   2HG   GLU  29          1HG       GLU  29   0.657  -8.767  -1.939
  242    H    LYS  30           H        LYS  30   1.371 -14.320  -5.516
  243    HA   LYS  30           HA       LYS  30   3.223 -13.754  -3.263
  244   1HB   LYS  30          1HB       LYS  30   3.827 -16.166  -3.517
  245   2HB   LYS  30          2HB       LYS  30   2.127 -15.902  -3.166
  246   1HG   LYS  30          2HG       LYS  30   1.475 -16.348  -5.432
  247   2HG   LYS  30          1HG       LYS  30   3.104 -16.204  -6.038
  248   1HD   LYS  30          2HD       LYS  30   2.497 -18.549  -6.006
  249   2HD   LYS  30          1HD       LYS  30   3.722 -18.297  -4.788
  250   1HE   LYS  30          2HE       LYS  30   0.728 -18.434  -4.179
  251   2HE   LYS  30          1HE       LYS  30   1.831 -19.789  -4.043
  252   1HZ   LYS  30          1HZ       LYS  30   1.323 -17.779  -2.187
  253   2HZ   LYS  30          2HZ       LYS  30   2.955 -17.661  -2.652
  254   3HZ   LYS  30          3HZ       LYS  30   2.353 -19.124  -2.045
  Start of MODEL    6
    1   1H    LYS   1          1H        LYS   1  -8.922  14.478  -3.789
    2   2H    LYS   1          2H        LYS   1  -7.534  13.990  -4.633
    3   3H    LYS   1          3H        LYS   1  -8.022  15.614  -4.671
    4    HA   LYS   1           HA       LYS   1  -6.762  16.050  -2.938
    5   1HB   LYS   1          2HB       LYS   1  -8.463  13.884  -1.600
    6   2HB   LYS   1          1HB       LYS   1  -7.271  14.817  -0.724
    7   1HG   LYS   1          2HG       LYS   1  -9.515  15.741  -0.397
    8   2HG   LYS   1          1HG       LYS   1  -8.475  16.902  -1.191
    9   1HD   LYS   1          2HD       LYS   1  -9.520  16.421  -3.367
   10   2HD   LYS   1          1HD       LYS   1 -10.474  15.121  -2.668
   11   1HE   LYS   1          2HE       LYS   1 -10.645  18.078  -1.914
   12   2HE   LYS   1          1HE       LYS   1 -11.795  17.221  -2.930
   13   1HZ   LYS   1          1HZ       LYS   1 -12.855  16.576  -1.134
   14   2HZ   LYS   1          2HZ       LYS   1 -11.744  17.406  -0.151
   15   3HZ   LYS   1          3HZ       LYS   1 -11.475  15.777  -0.560
   16    H    THR   2           H        THR   2  -7.214  12.568  -2.639
   17    HA   THR   2           HA       THR   2  -4.274  12.144  -2.949
   18    HB   THR   2           HB       THR   2  -4.468  10.308  -1.183
   19    HG1  THR   2           HG1      THR   2  -7.057  10.873  -1.702
   20   1HG2  THR   2          1HG2      THR   2  -5.697  12.935  -0.174
   21   2HG2  THR   2          2HG2      THR   2  -3.966  12.693  -0.384
   22   3HG2  THR   2          3HG2      THR   2  -4.856  11.735   0.787
   23    H    TYR   3           H        TYR   3  -3.831   9.815  -3.194
   24    HA   TYR   3           HA       TYR   3  -5.568   8.561  -5.278
   25   1HB   TYR   3          1HB       TYR   3  -2.538   8.352  -4.809
   26   2HB   TYR   3          2HB       TYR   3  -3.417   7.578  -6.118
   27    HD1  TYR   3           HD1      TYR   3  -4.348   8.953  -7.992
   28    HD2  TYR   3           HD2      TYR   3  -2.155  10.764  -4.825
   29    HE1  TYR   3           HE1      TYR   3  -4.137  11.014  -9.304
   30    HE2  TYR   3           HE2      TYR   3  -1.946  12.821  -6.136
   31    HH   TYR   3           HH       TYR   3  -2.633  13.917  -7.954
   32    H    GLN   4           H        GLN   4  -5.476   6.112  -5.118
   33    HA   GLN   4           HA       GLN   4  -5.120   5.207  -2.278
   34   1HB   GLN   4          1HB       GLN   4  -7.489   5.520  -3.538
   35   2HB   GLN   4          2HB       GLN   4  -7.121   3.921  -4.127
   36   1HG   GLN   4          2HG       GLN   4  -7.430   4.789  -1.236
   37   2HG   GLN   4          1HG       GLN   4  -8.527   3.770  -2.140
   38   1HE2  GLN   4          1HE2      GLN   4  -7.439   1.609  -2.970
   39   2HE2  GLN   4          2HE2      GLN   4  -6.367   0.891  -1.862
   40    H    CYS   5           H        CYS   5  -4.317   2.937  -1.977
   41    HA   CYS   5           HA       CYS   5  -2.497   2.151  -4.083
   42   1HB   CYS   5          1HB       CYS   5  -1.978   1.786  -1.750
   43   2HB   CYS   5          2HB       CYS   5  -3.415   0.785  -1.542
   44    H    GLN   6           H        GLN   6  -2.447  -0.250  -4.659
   45    HA   GLN   6           HA       GLN   6  -5.092  -0.971  -5.857
   46   1HB   GLN   6          1HB       GLN   6  -2.328  -1.940  -6.662
   47   2HB   GLN   6          2HB       GLN   6  -3.822  -2.189  -7.541
   48   1HG   GLN   6          2HG       GLN   6  -2.402   0.472  -7.100
   49   2HG   GLN   6          1HG       GLN   6  -2.593  -0.379  -8.624
   50   1HE2  GLN   6          2HE2      GLN   6  -4.645  -0.247  -9.709
   51   2HE2  GLN   6          1HE2      GLN   6  -5.870   0.814  -9.198
   52    H    TYR   7           H        TYR   7  -2.912  -2.036  -3.488
   53    HA   TYR   7           HA       TYR   7  -4.103  -4.786  -3.490
   54   1HB   TYR   7          1HB       TYR   7  -1.518  -3.805  -2.235
   55   2HB   TYR   7          2HB       TYR   7  -2.123  -5.453  -2.115
   56    HD1  TYR   7           HD1      TYR   7  -1.148  -2.873  -4.669
   57    HD2  TYR   7           HD2      TYR   7  -1.498  -7.020  -3.744
   58    HE1  TYR   7           HE1      TYR   7  -0.051  -3.443  -6.778
   59    HE2  TYR   7           HE2      TYR   7  -0.400  -7.584  -5.853
   60    HH   TYR   7           HH       TYR   7   0.514  -6.818  -7.712
   61    H    CYS   8           H        CYS   8  -3.050  -2.168  -1.381
   62    HA   CYS   8           HA       CYS   8  -4.919  -3.143   0.749
   63   1HB   CYS   8          1HB       CYS   8  -3.428  -2.268   2.362
   64   2HB   CYS   8          2HB       CYS   8  -2.388  -2.949   1.136
   65    H    GLU   9           H        GLU   9  -4.922  -0.962   2.300
   66    HA   GLU   9           HA       GLU   9  -6.478   0.999   0.695
   67   1HB   GLU   9          1HB       GLU   9  -7.794  -0.316   2.328
   68   2HB   GLU   9          2HB       GLU   9  -6.727   0.187   3.634
   69   1HG   GLU   9          2HG       GLU   9  -8.970   1.428   3.395
   70   2HG   GLU   9          1HG       GLU   9  -7.557   2.436   3.588
   71    H1   HAC  10           H1       HAC  10  -1.011   4.515   2.109
   72   1H2   HAC  10          1H2       HAC  10  -0.055   4.518  -0.208
   73   2H2   HAC  10          2H2       HAC  10   0.901   3.111   0.190
   74   1H3   HAC  10          1H3       HAC  10   1.059   5.826   1.564
   75   2H3   HAC  10          2H3       HAC  10   2.231   5.195   0.423
   76   1H4   HAC  10          1H4       HAC  10   2.743   3.328   1.975
   77   2H4   HAC  10          2H4       HAC  10   2.991   4.866   2.780
   78   1H5   HAC  10          1H5       HAC  10   1.747   3.289   4.243
   79   2H5   HAC  10          2H5       HAC  10   0.767   4.696   3.870
   80   1H6   HAC  10          1H6       HAC  10   0.592   1.977   2.520
   81   2H6   HAC  10          2H6       HAC  10  -0.587   2.648   3.631
   82   1H7   HAC  10          1H7       HAC  10  -1.603   2.764  -0.014
   83   2H7   HAC  10          2H7       HAC  10  -1.598   1.686   1.299
   84    H8   HAC  10           H8       HAC  10  -3.037   3.436   2.557
   85   1HN8  HAC  10          1HN8      HAC  10  -3.979   1.550   0.436
   86    H    ARG  11           H        ARG  11  -2.515   5.569   2.073
   87    HA   ARG  11           HA       ARG  11  -3.671   6.702  -0.435
   88   1HB   ARG  11          1HB       ARG  11  -3.632   7.896   2.362
   89   2HB   ARG  11          2HB       ARG  11  -4.259   8.714   0.945
   90   1HG   ARG  11          2HG       ARG  11  -5.324   6.054   1.999
   91   2HG   ARG  11          1HG       ARG  11  -6.051   7.610   2.334
   92   1HD   ARG  11          2HD       ARG  11  -6.395   7.955  -0.142
   93   2HD   ARG  11          1HD       ARG  11  -5.735   6.347  -0.431
   94    HE   ARG  11           HE       ARG  11  -7.610   5.426   0.885
   95   1HH1  ARG  11          1HH2      ARG  11  -8.467   7.929   2.198
   96   2HH1  ARG  11          2HH2      ARG  11  -9.879   8.363   1.290
   97   1HH2  ARG  11          2HH1      ARG  11  -9.032   6.226  -1.368
   98   2HH2  ARG  11          1HH1      ARG  11 -10.206   7.367  -0.804
   99    H    SER  12           H        SER  12  -2.440   7.813  -1.618
  100    HA   SER  12           HA       SER  12   0.133   8.979  -0.595
  101   1HB   SER  12          2HB       SER  12  -0.307   7.593  -3.302
  102   2HB   SER  12          1HB       SER  12   1.165   8.402  -2.810
  103    HG   SER  12           HG       SER  12   1.660   6.764  -1.665
  104    H    ALA  13           H        ALA  13   0.905  10.725  -2.118
  105    HA   ALA  13           HA       ALA  13  -1.375  12.148  -3.448
  106   1HB   ALA  13          1HB       ALA  13  -0.586  14.252  -2.387
  107   2HB   ALA  13          2HB       ALA  13   0.670  13.353  -1.548
  108   3HB   ALA  13          3HB       ALA  13  -1.023  13.060  -1.178
  109    H    ASP  14           H        ASP  14   0.823  10.558  -4.593
  110    HA   ASP  14           HA       ASP  14   1.912  12.705  -6.350
  111   1HB   ASP  14          1HB       ASP  14   3.651  12.389  -4.732
  112   2HB   ASP  14          2HB       ASP  14   3.548  10.641  -4.852
  113    H    SER  15           H        SER  15   2.514   9.286  -6.080
  114    HA   SER  15           HA       SER  15   1.246   7.753  -7.722
  115   1HB   SER  15          2HB       SER  15   2.695   9.657  -9.643
  116   2HB   SER  15          1HB       SER  15   2.266   8.014 -10.130
  117    HG   SER  15           HG       SER  15   0.289   8.627 -10.281
  118    H    SER  16           H        SER  16   4.596   8.955  -8.425
  119    HA   SER  16           HA       SER  16   5.700   6.345  -8.739
  120   1HB   SER  16          2HB       SER  16   7.912   7.389  -8.511
  121   2HB   SER  16          1HB       SER  16   6.902   8.663  -9.186
  122    HG   SER  16           HG       SER  16   6.525   9.336  -7.018
  123    H    ASN  17           H        ASN  17   5.340   8.429  -5.952
  124    HA   ASN  17           HA       ASN  17   6.490   6.958  -3.886
  125   1HB   ASN  17          1HB       ASN  17   5.564   9.165  -3.445
  126   2HB   ASN  17          2HB       ASN  17   3.952   8.661  -3.920
  127   1HD2  ASN  17          2HD2      ASN  17   6.105   8.947  -1.236
  128   2HD2  ASN  17          1HD2      ASN  17   5.130   8.145  -0.098
  129    H    LEU  18           H        LEU  18   3.192   6.613  -5.163
  130    HA   LEU  18           HA       LEU  18   2.407   4.478  -3.446
  131   1HB   LEU  18          1HB       LEU  18   0.902   5.962  -4.981
  132   2HB   LEU  18          2HB       LEU  18   1.431   4.942  -6.314
  133    HG   LEU  18           HG       LEU  18   0.470   2.920  -5.060
  134   1HD1  LEU  18          1HD1      LEU  18  -1.096   3.411  -3.185
  135   2HD1  LEU  18          2HD1      LEU  18  -0.724   5.119  -3.291
  136   3HD1  LEU  18          3HD1      LEU  18   0.499   3.983  -2.758
  137   1HD2  LEU  18          1HD2      LEU  18  -1.467   5.196  -5.682
  138   2HD2  LEU  18          2HD2      LEU  18  -1.863   3.491  -5.653
  139   3HD2  LEU  18          3HD2      LEU  18  -0.776   4.111  -6.879
  140    H    LYS  19           H        LYS  19   3.757   4.440  -6.707
  141    HA   LYS  19           HA       LYS  19   3.778   1.615  -7.030
  142   1HB   LYS  19          1HB       LYS  19   4.433   3.224  -8.882
  143   2HB   LYS  19          2HB       LYS  19   5.874   3.658  -7.990
  144   1HG   LYS  19          2HG       LYS  19   6.383   2.058  -9.807
  145   2HG   LYS  19          1HG       LYS  19   6.799   1.415  -8.235
  146   1HD   LYS  19          2HD       LYS  19   4.742   0.026  -8.221
  147   2HD   LYS  19          1HD       LYS  19   4.184   0.782  -9.703
  148   1HE   LYS  19          2HE       LYS  19   5.205  -1.427 -10.181
  149   2HE   LYS  19          1HE       LYS  19   6.183  -0.161 -10.897
  150   1HZ   LYS  19          1HZ       LYS  19   6.951  -2.092  -9.058
  151   2HZ   LYS  19          2HZ       LYS  19   7.047  -0.595  -8.266
  152   3HZ   LYS  19          3HZ       LYS  19   7.890  -0.840  -9.717
  153    H    THR  20           H        THR  20   6.284   3.686  -5.690
  154    HA   THR  20           HA       THR  20   8.191   1.802  -4.894
  155    HB   THR  20           HB       THR  20   7.339   4.271  -3.227
  156    HG1  THR  20           HG1      THR  20   8.274   3.988  -5.725
  157   1HG2  THR  20          1HG2      THR  20   9.095   2.724  -2.191
  158   2HG2  THR  20          2HG2      THR  20   9.733   4.303  -2.610
  159   3HG2  THR  20          3HG2      THR  20  10.061   2.919  -3.645
  160    H    HIS  21           H        HIS  21   5.524   3.093  -2.946
  161    HA   HIS  21           HA       HIS  21   5.587   1.514  -0.705
  162   1HB   HIS  21          1HB       HIS  21   3.935   3.199  -0.731
  163   2HB   HIS  21          2HB       HIS  21   3.295   2.745  -2.287
  164    HD1  HIS  21           HD1      HIS  21   3.273   1.476   1.246
  165    HD2  HIS  21           HD2      HIS  21   1.232   0.950  -2.252
  166    HE1  HIS  21           HE1      HIS  21   1.303   0.062   1.775
  167    H    ILE  22           H        ILE  22   3.769   0.652  -3.689
  168    HA   ILE  22           HA       ILE  22   2.980  -1.922  -2.858
  169    HB   ILE  22           HB       ILE  22   3.680  -0.888  -5.659
  170   1HG1  ILE  22          2HG1      ILE  22   0.959  -1.283  -4.325
  171   2HG1  ILE  22          1HG1      ILE  22   1.801   0.248  -4.288
  172   1HG2  ILE  22          1HG2      ILE  22   2.118  -3.412  -4.894
  173   2HG2  ILE  22          2HG2      ILE  22   3.714  -3.386  -5.626
  174   3HG2  ILE  22          3HG2      ILE  22   2.334  -2.804  -6.526
  175   1HD1  ILE  22          1HD1      ILE  22   0.916  -1.196  -6.829
  176   2HD1  ILE  22          2HD1      ILE  22   1.779   0.334  -6.775
  177   3HD1  ILE  22          3HD1      ILE  22   0.157   0.215  -6.121
  178    H    LYS  23           H        LYS  23   5.838  -1.094  -4.754
  179    HA   LYS  23           HA       LYS  23   7.037  -3.644  -4.847
  180   1HB   LYS  23          1HB       LYS  23   7.559  -1.422  -6.139
  181   2HB   LYS  23          2HB       LYS  23   8.582  -1.037  -4.781
  182   1HG   LYS  23          2HG       LYS  23  10.175  -2.068  -6.104
  183   2HG   LYS  23          1HG       LYS  23   9.595  -3.498  -5.293
  184   1HD   LYS  23          2HD       LYS  23   8.668  -2.518  -8.010
  185   2HD   LYS  23          1HD       LYS  23   9.760  -3.852  -7.735
  186   1HE   LYS  23          2HE       LYS  23   7.871  -5.011  -6.450
  187   2HE   LYS  23          1HE       LYS  23   6.812  -3.712  -6.994
  188   1HZ   LYS  23          1HZ       LYS  23   6.554  -4.739  -8.883
  189   2HZ   LYS  23          2HZ       LYS  23   7.575  -5.995  -8.373
  190   3HZ   LYS  23          3HZ       LYS  23   8.219  -4.658  -9.200
  191    H    THR  24           H        THR  24   6.693  -1.825  -2.048
  192    HA   THR  24           HA       THR  24   8.998  -3.222  -0.748
  193    HB   THR  24           HB       THR  24   8.947  -1.286   0.936
  194    HG1  THR  24           HG1      THR  24   7.237  -0.107   0.762
  195   1HG2  THR  24          1HG2      THR  24   9.209  -0.377  -1.990
  196   2HG2  THR  24          2HG2      THR  24  10.499  -1.162  -1.099
  197   3HG2  THR  24          3HG2      THR  24   9.913   0.411  -0.585
  198    H    LYS  25           H        LYS  25   5.635  -2.335  -0.349
  199    HA   LYS  25           HA       LYS  25   5.423  -3.894   2.159
  200   1HB   LYS  25          1HB       LYS  25   3.271  -2.189   0.862
  201   2HB   LYS  25          2HB       LYS  25   3.343  -2.746   2.527
  202   1HG   LYS  25          2HG       LYS  25   5.188  -0.706   1.229
  203   2HG   LYS  25          1HG       LYS  25   3.943  -0.393   2.416
  204   1HD   LYS  25          2HD       LYS  25   5.180  -1.731   4.105
  205   2HD   LYS  25          1HD       LYS  25   6.429  -2.086   2.921
  206   1HE   LYS  25          2HE       LYS  25   6.899   0.349   2.675
  207   2HE   LYS  25          1HE       LYS  25   5.686   0.695   3.903
  208   1HZ   LYS  25          1HZ       LYS  25   7.197   0.351   5.434
  209   2HZ   LYS  25          2HZ       LYS  25   8.359  -0.005   4.247
  210   3HZ   LYS  25          3HZ       LYS  25   7.416  -1.251   4.910
  211    H    HIS  26           H        HIS  26   4.397  -4.091  -1.180
  212    HA   HIS  26           HA       HIS  26   2.712  -6.470  -0.515
  213   1HB   HIS  26          1HB       HIS  26   2.653  -4.621  -2.936
  214   2HB   HIS  26          2HB       HIS  26   1.599  -6.002  -2.723
  215    HD1  HIS  26           HD1      HIS  26   0.731  -5.687   0.121
  216    HD2  HIS  26           HD2      HIS  26   1.094  -2.440  -2.324
  217    HE1  HIS  26           HE1      HIS  26  -0.677  -3.914   1.114
  218    H    SER  27           H        SER  27   5.711  -5.780  -1.345
  219    HA   SER  27           HA       SER  27   6.077  -8.201  -3.036
  220   1HB   SER  27          2HB       SER  27   6.511  -6.126  -4.395
  221   2HB   SER  27          1HB       SER  27   7.595  -5.545  -3.129
  222    HG   SER  27           HG       SER  27   8.252  -8.058  -3.742
  223    H    LYS  28           H        LYS  28   7.989  -9.300  -2.509
  224    HA   LYS  28           HA       LYS  28   9.123  -8.646   0.196
  225   1HB   LYS  28          1HB       LYS  28   7.613 -10.888  -0.488
  226   2HB   LYS  28          2HB       LYS  28   9.232 -11.507  -0.694
  227   1HG   LYS  28          2HG       LYS  28   8.081 -10.197   1.814
  228   2HG   LYS  28          1HG       LYS  28   8.439 -11.891   1.610
  229   1HD   LYS  28          2HD       LYS  28  10.616  -9.766   1.422
  230   2HD   LYS  28          1HD       LYS  28  10.158 -10.509   2.933
  231   1HE   LYS  28          2HE       LYS  28  10.790 -12.714   2.130
  232   2HE   LYS  28          1HE       LYS  28  11.074 -12.115   0.504
  233   1HZ   LYS  28          1HZ       LYS  28  13.118 -11.612   1.087
  234   2HZ   LYS  28          2HZ       LYS  28  12.834 -12.186   2.662
  235   3HZ   LYS  28          3HZ       LYS  28  12.549 -10.554   2.286
  236    H    GLU  29           H        GLU  29  10.046  -7.651  -2.216
  237    HA   GLU  29           HA       GLU  29  12.672  -9.037  -2.616
  238   1HB   GLU  29          1HB       GLU  29  11.274  -7.016  -4.437
  239   2HB   GLU  29          2HB       GLU  29  12.729  -7.914  -4.813
  240   1HG   GLU  29          2HG       GLU  29   9.978  -9.169  -4.368
  241   2HG   GLU  29          1HG       GLU  29  10.687  -8.845  -5.930
  242    H    LYS  30           H        LYS  30  11.263  -5.793  -2.839
  243    HA   LYS  30           HA       LYS  30  13.462  -4.736  -1.110
  244   1HB   LYS  30          1HB       LYS  30  13.920  -4.251  -3.534
  245   2HB   LYS  30          2HB       LYS  30  12.360  -3.450  -3.649
  246   1HG   LYS  30          2HG       LYS  30  13.029  -1.756  -2.034
  247   2HG   LYS  30          1HG       LYS  30  14.528  -2.597  -1.686
  248   1HD   LYS  30          2HD       LYS  30  15.342  -2.206  -3.962
  249   2HD   LYS  30          1HD       LYS  30  13.807  -1.502  -4.442
  250   1HE   LYS  30          2HE       LYS  30  15.675  -0.381  -2.296
  251   2HE   LYS  30          1HE       LYS  30  15.504   0.253  -3.926
  252   1HZ   LYS  30          1HZ       LYS  30  13.958   0.820  -1.677
  253   2HZ   LYS  30          2HZ       LYS  30  12.956   0.050  -2.814
  254   3HZ   LYS  30          3HZ       LYS  30  13.814   1.450  -3.248
  Start of MODEL    7
    1   1H    LYS   1          1H        LYS   1  -6.321  16.160  -5.969
    2   2H    LYS   1          2H        LYS   1  -7.478  15.531  -4.899
    3   3H    LYS   1          3H        LYS   1  -6.324  14.502  -5.607
    4    HA   LYS   1           HA       LYS   1  -4.947  16.549  -4.334
    5   1HB   LYS   1          2HB       LYS   1  -7.222  15.349  -2.722
    6   2HB   LYS   1          1HB       LYS   1  -5.756  15.883  -1.921
    7   1HG   LYS   1          2HG       LYS   1  -6.039  18.154  -2.850
    8   2HG   LYS   1          1HG       LYS   1  -7.488  17.642  -3.698
    9   1HD   LYS   1          2HD       LYS   1  -8.675  17.226  -1.634
   10   2HD   LYS   1          1HD       LYS   1  -7.214  17.370  -0.677
   11   1HE   LYS   1          2HE       LYS   1  -8.375  19.669  -2.304
   12   2HE   LYS   1          1HE       LYS   1  -8.693  19.423  -0.594
   13   1HZ   LYS   1          1HZ       LYS   1  -6.808  20.425  -0.129
   14   2HZ   LYS   1          2HZ       LYS   1  -6.494  20.659  -1.781
   15   3HZ   LYS   1          3HZ       LYS   1  -5.931  19.261  -0.998
   16    H    THR   2           H        THR   2  -6.264  13.399  -3.405
   17    HA   THR   2           HA       THR   2  -3.470  12.348  -3.246
   18    HB   THR   2           HB       THR   2  -4.342  10.853  -1.361
   19    HG1  THR   2           HG1      THR   2  -6.615  11.834  -2.411
   20   1HG2  THR   2          1HG2      THR   2  -3.397  13.165  -0.789
   21   2HG2  THR   2          2HG2      THR   2  -4.663  12.642   0.312
   22   3HG2  THR   2          3HG2      THR   2  -5.026  13.811  -0.945
   23    H    TYR   3           H        TYR   3  -3.451  10.047  -3.081
   24    HA   TYR   3           HA       TYR   3  -4.973   8.638  -5.226
   25   1HB   TYR   3          1HB       TYR   3  -2.070   8.327  -4.336
   26   2HB   TYR   3          2HB       TYR   3  -2.871   7.202  -5.433
   27    HD1  TYR   3           HD1      TYR   3  -2.267  10.946  -5.229
   28    HD2  TYR   3           HD2      TYR   3  -2.401   7.416  -7.616
   29    HE1  TYR   3           HE1      TYR   3  -1.527  12.226  -7.190
   30    HE2  TYR   3           HE2      TYR   3  -1.664   8.699  -9.552
   31    HH   TYR   3           HH       TYR   3  -0.463  10.648 -10.001
   32    H    GLN   4           H        GLN   4  -4.749   6.238  -4.854
   33    HA   GLN   4           HA       GLN   4  -4.774   5.431  -2.000
   34   1HB   GLN   4          1HB       GLN   4  -6.926   4.837  -4.092
   35   2HB   GLN   4          2HB       GLN   4  -6.846   4.015  -2.550
   36   1HG   GLN   4          2HG       GLN   4  -7.126   7.051  -2.844
   37   2HG   GLN   4          1HG       GLN   4  -8.464   5.959  -2.558
   38   1HE2  GLN   4          1HE2      GLN   4  -6.298   4.402  -0.740
   39   2HE2  GLN   4          2HE2      GLN   4  -6.427   5.257   0.719
   40    H    CYS   5           H        CYS   5  -4.445   2.918  -1.846
   41    HA   CYS   5           HA       CYS   5  -2.567   2.149  -3.975
   42   1HB   CYS   5          1HB       CYS   5  -2.100   1.738  -1.595
   43   2HB   CYS   5          2HB       CYS   5  -3.504   0.678  -1.505
   44    H    GLN   6           H        GLN   6  -2.685  -0.058  -4.838
   45    HA   GLN   6           HA       GLN   6  -5.490  -0.749  -5.662
   46   1HB   GLN   6          1HB       GLN   6  -2.881  -1.343  -7.116
   47   2HB   GLN   6          2HB       GLN   6  -4.486  -1.608  -7.752
   48   1HG   GLN   6          2HG       GLN   6  -3.292   1.130  -7.087
   49   2HG   GLN   6          1HG       GLN   6  -3.442   0.447  -8.692
   50   1HE2  GLN   6          1HE2      GLN   6  -5.293   1.005  -9.801
   51   2HE2  GLN   6          2HE2      GLN   6  -6.716   1.602  -9.093
   52    H    TYR   7           H        TYR   7  -3.627  -1.663  -3.399
   53    HA   TYR   7           HA       TYR   7  -4.175  -4.579  -3.709
   54   1HB   TYR   7          1HB       TYR   7  -1.632  -3.382  -2.514
   55   2HB   TYR   7          2HB       TYR   7  -1.989  -5.097  -2.638
   56    HD1  TYR   7           HD1      TYR   7  -1.290  -2.024  -4.588
   57    HD2  TYR   7           HD2      TYR   7  -1.658  -6.266  -4.763
   58    HE1  TYR   7           HE1      TYR   7  -0.360  -2.014  -6.842
   59    HE2  TYR   7           HE2      TYR   7  -0.719  -6.244  -7.029
   60    HH   TYR   7           HH       TYR   7  -0.058  -4.969  -8.751
   61    H    CYS   8           H        CYS   8  -3.310  -1.984  -1.512
   62    HA   CYS   8           HA       CYS   8  -4.980  -3.246   0.638
   63   1HB   CYS   8          1HB       CYS   8  -3.418  -2.438   2.256
   64   2HB   CYS   8          2HB       CYS   8  -2.442  -3.038   0.940
   65    H    GLU   9           H        GLU   9  -4.872  -1.045   2.316
   66    HA   GLU   9           HA       GLU   9  -6.599   0.945   0.883
   67   1HB   GLU   9          1HB       GLU   9  -7.687  -0.564   2.620
   68   2HB   GLU   9          2HB       GLU   9  -6.639   0.159   3.836
   69   1HG   GLU   9          2HG       GLU   9  -7.671   2.407   3.314
   70   2HG   GLU   9          1HG       GLU   9  -8.710   1.621   2.139
   71    H1   HAC  10           H1       HAC  10  -1.122   4.158   2.616
   72   1H2   HAC  10          1H2       HAC  10   0.029   4.424   0.338
   73   2H2   HAC  10          2H2       HAC  10   0.994   3.030   0.741
   74   1H3   HAC  10          1H3       HAC  10   1.089   5.799   1.882
   75   2H3   HAC  10          2H3       HAC  10   2.410   4.723   1.478
   76   1H4   HAC  10          1H4       HAC  10   2.519   4.655   3.812
   77   2H4   HAC  10          2H4       HAC  10   0.791   4.868   4.017
   78   1H5   HAC  10          1H5       HAC  10   2.118   2.322   2.992
   79   2H5   HAC  10          2H5       HAC  10   1.544   2.551   4.626
   80   1H6   HAC  10          1H6       HAC  10  -0.016   1.369   2.793
   81   2H6   HAC  10          2H6       HAC  10  -0.697   2.383   4.037
   82   1H7   HAC  10          1H7       HAC  10  -1.563   2.794   0.186
   83   2H7   HAC  10          2H7       HAC  10  -1.726   1.534   1.334
   84    H8   HAC  10           H8       HAC  10  -3.146   3.384   2.657
   85   1HN8  HAC  10          1HN8      HAC  10  -4.070   1.459   0.543
   86    H    ARG  11           H        ARG  11  -2.302   5.434   1.891
   87    HA   ARG  11           HA       ARG  11  -3.472   6.408  -0.667
   88   1HB   ARG  11          1HB       ARG  11  -4.049   8.555   0.464
   89   2HB   ARG  11          2HB       ARG  11  -4.931   7.217   1.161
   90   1HG   ARG  11          2HG       ARG  11  -2.324   8.201   2.389
   91   2HG   ARG  11          1HG       ARG  11  -3.844   8.985   2.747
   92   1HD   ARG  11          2HD       ARG  11  -4.762   6.918   3.705
   93   2HD   ARG  11          1HD       ARG  11  -3.340   6.001   3.260
   94    HE   ARG  11           HE       ARG  11  -3.221   6.762   5.641
   95   1HH1  ARG  11          2HH1      ARG  11  -3.777   9.652   5.128
   96   2HH1  ARG  11          1HH1      ARG  11  -2.193  10.351   5.222
   97   1HH2  ARG  11          1HH2      ARG  11  -0.596   7.251   4.880
   98   2HH2  ARG  11          2HH2      ARG  11  -0.346   8.954   5.077
   99    H    SER  12           H        SER  12  -2.381   8.020  -1.696
  100    HA   SER  12           HA       SER  12   0.309   8.830  -0.677
  101   1HB   SER  12          2HB       SER  12  -0.196   7.824  -3.550
  102   2HB   SER  12          1HB       SER  12   1.322   8.402  -2.906
  103    HG   SER  12           HG       SER  12   0.353   6.585  -1.212
  104    H    ALA  13           H        ALA  13   1.127  10.446  -2.517
  105    HA   ALA  13           HA       ALA  13  -1.090  12.399  -3.034
  106   1HB   ALA  13          1HB       ALA  13   0.611  14.173  -2.701
  107   2HB   ALA  13          2HB       ALA  13   1.836  12.954  -2.397
  108   3HB   ALA  13          3HB       ALA  13   0.503  13.161  -1.269
  109    H    ASP  14           H        ASP  14   1.599  10.670  -4.155
  110    HA   ASP  14           HA       ASP  14   1.339  11.777  -6.911
  111   1HB   ASP  14          1HB       ASP  14   3.384  12.580  -5.863
  112   2HB   ASP  14          2HB       ASP  14   3.796  10.963  -5.299
  113    H    SER  15           H        SER  15   2.653  10.098  -8.380
  114    HA   SER  15           HA       SER  15   1.230   7.508  -8.149
  115   1HB   SER  15          2HB       SER  15   2.847   8.691 -10.463
  116   2HB   SER  15          1HB       SER  15   1.805   7.260 -10.547
  117    HG   SER  15           HG       SER  15   0.191   8.558 -10.756
  118    H    SER  16           H        SER  16   4.493   8.713  -8.960
  119    HA   SER  16           HA       SER  16   5.923   6.298  -8.837
  120   1HB   SER  16          2HB       SER  16   6.909   8.575  -9.512
  121   2HB   SER  16          1HB       SER  16   6.986   8.982  -7.794
  122    HG   SER  16           HG       SER  16   7.948   6.510  -8.160
  123    H    ASN  17           H        ASN  17   4.975   8.470  -6.275
  124    HA   ASN  17           HA       ASN  17   6.277   7.254  -4.070
  125   1HB   ASN  17          1HB       ASN  17   5.149   9.440  -3.864
  126   2HB   ASN  17          2HB       ASN  17   3.584   8.691  -4.161
  127   1HD2  ASN  17          2HD2      ASN  17   6.127   9.153  -1.769
  128   2HD2  ASN  17          1HD2      ASN  17   5.295   8.442  -0.471
  129    H    LEU  18           H        LEU  18   3.007   6.643  -5.369
  130    HA   LEU  18           HA       LEU  18   2.381   4.561  -3.523
  131   1HB   LEU  18          1HB       LEU  18   0.752   5.800  -5.157
  132   2HB   LEU  18          2HB       LEU  18   1.382   4.760  -6.433
  133    HG   LEU  18           HG       LEU  18   0.613   2.737  -5.035
  134   1HD1  LEU  18          1HD1      LEU  18  -0.804   4.916  -3.429
  135   2HD1  LEU  18          2HD1      LEU  18   0.522   3.938  -2.820
  136   3HD1  LEU  18          3HD1      LEU  18  -1.004   3.189  -3.206
  137   1HD2  LEU  18          1HD2      LEU  18  -1.533   4.741  -5.849
  138   2HD2  LEU  18          2HD2      LEU  18  -1.753   3.009  -5.660
  139   3HD2  LEU  18          3HD2      LEU  18  -0.724   3.621  -6.933
  140    H    LYS  19           H        LYS  19   3.760   4.446  -6.766
  141    HA   LYS  19           HA       LYS  19   4.051   1.669  -7.057
  142   1HB   LYS  19          1HB       LYS  19   4.751   3.179  -8.864
  143   2HB   LYS  19          2HB       LYS  19   5.884   3.993  -7.828
  144   1HG   LYS  19          2HG       LYS  19   7.100   1.631  -7.736
  145   2HG   LYS  19          1HG       LYS  19   6.107   1.242  -9.124
  146   1HD   LYS  19          2HD       LYS  19   8.174   2.116 -10.001
  147   2HD   LYS  19          1HD       LYS  19   7.019   3.424 -10.178
  148   1HE   LYS  19          2HE       LYS  19   7.877   4.288  -7.852
  149   2HE   LYS  19          1HE       LYS  19   9.151   3.101  -8.023
  150   1HZ   LYS  19          1HZ       LYS  19  10.252   4.542  -9.221
  151   2HZ   LYS  19          2HZ       LYS  19   8.957   5.643  -9.101
  152   3HZ   LYS  19          3HZ       LYS  19   9.023   4.540 -10.397
  153    H    THR  20           H        THR  20   6.418   3.822  -5.565
  154    HA   THR  20           HA       THR  20   8.257   1.945  -4.620
  155    HB   THR  20           HB       THR  20   7.271   4.493  -3.171
  156    HG1  THR  20           HG1      THR  20   7.866   4.899  -5.239
  157   1HG2  THR  20          1HG2      THR  20   9.577   4.578  -2.308
  158   2HG2  THR  20          2HG2      THR  20  10.031   3.138  -3.209
  159   3HG2  THR  20          3HG2      THR  20   8.941   3.009  -1.838
  160    H    HIS  21           H        HIS  21   5.497   3.252  -2.792
  161    HA   HIS  21           HA       HIS  21   5.506   1.630  -0.561
  162   1HB   HIS  21          1HB       HIS  21   3.859   3.330  -0.589
  163   2HB   HIS  21          2HB       HIS  21   3.244   2.888  -2.162
  164    HD1  HIS  21           HD1      HIS  21   3.247   1.480   1.337
  165    HD2  HIS  21           HD2      HIS  21   1.183   1.107  -2.168
  166    HE1  HIS  21           HE1      HIS  21   1.316   0.007   1.811
  167    H    ILE  22           H        ILE  22   3.918   0.848  -3.673
  168    HA   ILE  22           HA       ILE  22   2.964  -1.693  -2.954
  169    HB   ILE  22           HB       ILE  22   3.874  -0.616  -5.687
  170   1HG1  ILE  22          2HG1      ILE  22   1.040  -1.012  -4.652
  171   2HG1  ILE  22          1HG1      ILE  22   1.889   0.484  -4.354
  172   1HG2  ILE  22          1HG2      ILE  22   3.839  -3.113  -5.691
  173   2HG2  ILE  22          2HG2      ILE  22   2.531  -2.481  -6.665
  174   3HG2  ILE  22          3HG2      ILE  22   2.201  -3.091  -5.054
  175   1HD1  ILE  22          1HD1      ILE  22   0.490   0.643  -6.409
  176   2HD1  ILE  22          2HD1      ILE  22   1.342  -0.717  -7.117
  177   3HD1  ILE  22          3HD1      ILE  22   2.182   0.791  -6.820
  178    H    LYS  23           H        LYS  23   5.999  -0.907  -4.641
  179    HA   LYS  23           HA       LYS  23   6.992  -3.613  -4.448
  180   1HB   LYS  23          1HB       LYS  23   8.493  -1.024  -4.967
  181   2HB   LYS  23          2HB       LYS  23   9.160  -2.631  -5.218
  182   1HG   LYS  23          2HG       LYS  23   7.105  -3.063  -6.745
  183   2HG   LYS  23          1HG       LYS  23   6.836  -1.332  -6.691
  184   1HD   LYS  23          2HD       LYS  23   9.361  -2.721  -7.677
  185   2HD   LYS  23          1HD       LYS  23   8.137  -1.990  -8.691
  186   1HE   LYS  23          2HE       LYS  23   8.653   0.246  -7.651
  187   2HE   LYS  23          1HE       LYS  23   9.937  -0.505  -6.717
  188   1HZ   LYS  23          1HZ       LYS  23  11.266  -0.311  -8.434
  189   2HZ   LYS  23          2HZ       LYS  23  10.027   0.425  -9.335
  190   3HZ   LYS  23          3HZ       LYS  23  10.233  -1.256  -9.393
  191    H    THR  24           H        THR  24   6.423  -1.715  -1.958
  192    HA   THR  24           HA       THR  24   8.873  -2.459  -0.413
  193    HB   THR  24           HB       THR  24   6.757  -0.303   0.205
  194    HG1  THR  24           HG1      THR  24   8.054   0.824  -0.977
  195   1HG2  THR  24          1HG2      THR  24   8.390   0.401   1.931
  196   2HG2  THR  24          2HG2      THR  24   9.493  -0.888   1.472
  197   3HG2  THR  24          3HG2      THR  24   7.978  -1.275   2.264
  198    H    LYS  25           H        LYS  25   5.342  -2.348  -0.174
  199    HA   LYS  25           HA       LYS  25   5.430  -4.408   1.990
  200   1HB   LYS  25          1HB       LYS  25   3.275  -2.396   1.285
  201   2HB   LYS  25          2HB       LYS  25   3.115  -3.641   2.520
  202   1HG   LYS  25          2HG       LYS  25   5.140  -2.706   3.683
  203   2HG   LYS  25          1HG       LYS  25   5.236  -1.453   2.463
  204   1HD   LYS  25          2HD       LYS  25   4.113  -0.585   4.475
  205   2HD   LYS  25          1HD       LYS  25   2.998  -0.596   3.125
  206   1HE   LYS  25          2HE       LYS  25   1.923  -1.445   5.203
  207   2HE   LYS  25          1HE       LYS  25   1.969  -2.714   3.997
  208   1HZ   LYS  25          1HZ       LYS  25   3.137  -3.952   5.372
  209   2HZ   LYS  25          2HZ       LYS  25   3.039  -2.736   6.558
  210   3HZ   LYS  25          3HZ       LYS  25   4.351  -2.772   5.481
  211    H    HIS  26           H        HIS  26   4.400  -4.107  -1.281
  212    HA   HIS  26           HA       HIS  26   2.702  -6.545  -1.026
  213   1HB   HIS  26          1HB       HIS  26   2.722  -4.416  -3.210
  214   2HB   HIS  26          2HB       HIS  26   1.632  -5.782  -3.130
  215    HD1  HIS  26           HD1      HIS  26   0.753  -5.678  -0.255
  216    HD2  HIS  26           HD2      HIS  26   1.159  -2.259  -2.460
  217    HE1  HIS  26           HE1      HIS  26  -0.656  -3.951   0.847
  218    H    SER  27           H        SER  27   5.350  -5.085  -2.596
  219    HA   SER  27           HA       SER  27   6.728  -5.764  -4.391
  220   1HB   SER  27          2HB       SER  27   7.207  -7.715  -2.101
  221   2HB   SER  27          1HB       SER  27   8.386  -7.327  -3.367
  222    HG   SER  27           HG       SER  27   8.774  -5.552  -2.325
  223    H    LYS  28           H        LYS  28   5.768  -6.473  -6.164
  224    HA   LYS  28           HA       LYS  28   5.024  -9.347  -6.437
  225   1HB   LYS  28          1HB       LYS  28   4.519  -6.922  -8.215
  226   2HB   LYS  28          2HB       LYS  28   3.968  -8.542  -8.590
  227   1HG   LYS  28          2HG       LYS  28   3.199  -7.064  -6.032
  228   2HG   LYS  28          1HG       LYS  28   2.241  -7.005  -7.495
  229   1HD   LYS  28          2HD       LYS  28   2.007  -9.493  -7.450
  230   2HD   LYS  28          1HD       LYS  28   2.941  -9.561  -5.967
  231   1HE   LYS  28          2HE       LYS  28   0.314  -8.038  -6.274
  232   2HE   LYS  28          1HE       LYS  28   0.480  -9.620  -5.541
  233   1HZ   LYS  28          1HZ       LYS  28   0.883  -7.116  -4.368
  234   2HZ   LYS  28          2HZ       LYS  28   2.347  -7.972  -4.316
  235   3HZ   LYS  28          3HZ       LYS  28   0.945  -8.652  -3.655
  236    H    GLU  29           H        GLU  29   5.789 -10.539  -8.193
  237    HA   GLU  29           HA       GLU  29   8.301  -9.605  -9.517
  238   1HB   GLU  29          1HB       GLU  29   8.872 -11.015  -7.575
  239   2HB   GLU  29          2HB       GLU  29   7.803 -12.283  -8.144
  240   1HG   GLU  29          2HG       GLU  29   9.249 -12.437 -10.254
  241   2HG   GLU  29          1HG       GLU  29  10.345 -11.288  -9.508
  242    H    LYS  30           H        LYS  30   6.117 -12.370  -9.419
  243    HA   LYS  30           HA       LYS  30   5.964 -12.383 -12.411
  244   1HB   LYS  30          1HB       LYS  30   5.686 -14.659 -10.396
  245   2HB   LYS  30          2HB       LYS  30   5.303 -14.824 -12.097
  246   1HG   LYS  30          2HG       LYS  30   7.660 -14.203 -12.684
  247   2HG   LYS  30          1HG       LYS  30   8.047 -14.112 -10.972
  248   1HD   LYS  30          2HD       LYS  30   7.593 -16.462 -10.634
  249   2HD   LYS  30          1HD       LYS  30   6.853 -16.629 -12.214
  250   1HE   LYS  30          2HE       LYS  30   9.081 -17.579 -12.330
  251   2HE   LYS  30          1HE       LYS  30   9.093 -16.095 -13.263
  252   1HZ   LYS  30          1HZ       LYS  30  10.725 -16.802 -11.143
  253   2HZ   LYS  30          2HZ       LYS  30   9.787 -15.510 -10.590
  254   3HZ   LYS  30          3HZ       LYS  30  10.699 -15.342 -12.005
  Start of MODEL    8
    1   1H    LYS   1          1H        LYS   1  -6.352  17.164  -3.392
    2   2H    LYS   1          2H        LYS   1  -6.923  16.490  -4.844
    3   3H    LYS   1          3H        LYS   1  -5.333  16.193  -4.336
    4    HA   LYS   1           HA       LYS   1  -7.004  15.418  -2.258
    5   1HB   LYS   1          2HB       LYS   1  -7.852  14.391  -5.015
    6   2HB   LYS   1          1HB       LYS   1  -8.322  13.608  -3.515
    7   1HG   LYS   1          2HG       LYS   1  -9.383  15.755  -2.752
    8   2HG   LYS   1          1HG       LYS   1  -8.988  16.487  -4.296
    9   1HD   LYS   1          2HD       LYS   1 -10.361  14.740  -5.461
   10   2HD   LYS   1          1HD       LYS   1 -10.767  14.039  -3.902
   11   1HE   LYS   1          2HE       LYS   1 -11.816  16.203  -3.208
   12   2HE   LYS   1          1HE       LYS   1 -11.450  16.879  -4.791
   13   1HZ   LYS   1          1HZ       LYS   1 -12.776  14.443  -5.151
   14   2HZ   LYS   1          2HZ       LYS   1 -13.292  16.008  -5.559
   15   3HZ   LYS   1          3HZ       LYS   1 -13.651  15.370  -4.029
   16    H    THR   2           H        THR   2  -6.895  12.778  -2.381
   17    HA   THR   2           HA       THR   2  -4.030  12.117  -2.973
   18    HB   THR   2           HB       THR   2  -4.202  10.500  -1.008
   19    HG1  THR   2           HG1      THR   2  -6.168  10.018  -0.529
   20   1HG2  THR   2          1HG2      THR   2  -5.290  13.268  -0.238
   21   2HG2  THR   2          2HG2      THR   2  -3.583  12.950  -0.505
   22   3HG2  THR   2          3HG2      THR   2  -4.428  12.155   0.810
   23    H    TYR   3           H        TYR   3  -3.717   9.752  -3.127
   24    HA   TYR   3           HA       TYR   3  -5.839   8.445  -4.806
   25   1HB   TYR   3          1HB       TYR   3  -2.812   8.100  -5.081
   26   2HB   TYR   3          2HB       TYR   3  -4.042   7.462  -6.163
   27    HD1  TYR   3           HD1      TYR   3  -5.761   9.426  -7.023
   28    HD2  TYR   3           HD2      TYR   3  -1.710  10.015  -5.835
   29    HE1  TYR   3           HE1      TYR   3  -5.673  11.489  -8.336
   30    HE2  TYR   3           HE2      TYR   3  -1.629  12.076  -7.158
   31    HH   TYR   3           HH       TYR   3  -4.390  13.141  -9.098
   32    H    GLN   4           H        GLN   4  -5.951   6.153  -4.623
   33    HA   GLN   4           HA       GLN   4  -5.059   5.130  -1.969
   34   1HB   GLN   4          1HB       GLN   4  -7.554   5.192  -2.717
   35   2HB   GLN   4          2HB       GLN   4  -7.141   3.885  -3.799
   36   1HG   GLN   4          2HG       GLN   4  -7.889   2.711  -1.899
   37   2HG   GLN   4          1HG       GLN   4  -6.159   2.731  -1.613
   38   1HE2  GLN   4          1HE2      GLN   4  -5.435   3.800   0.258
   39   2HE2  GLN   4          2HE2      GLN   4  -6.437   4.703   1.290
   40    H    CYS   5           H        CYS   5  -4.094   2.932  -1.843
   41    HA   CYS   5           HA       CYS   5  -2.255   2.370  -3.950
   42   1HB   CYS   5          1HB       CYS   5  -1.889   1.723  -1.638
   43   2HB   CYS   5          2HB       CYS   5  -3.282   0.643  -1.682
   44    H    GLN   6           H        GLN   6  -2.159  -0.041  -4.693
   45    HA   GLN   6           HA       GLN   6  -4.580  -0.532  -6.346
   46   1HB   GLN   6          1HB       GLN   6  -2.358  -0.161  -7.428
   47   2HB   GLN   6          2HB       GLN   6  -1.728  -1.554  -6.581
   48   1HG   GLN   6          2HG       GLN   6  -4.134  -2.406  -7.968
   49   2HG   GLN   6          1HG       GLN   6  -3.174  -1.467  -9.094
   50   1HE2  GLN   6          1HE2      GLN   6  -3.584  -4.567  -7.983
   51   2HE2  GLN   6          2HE2      GLN   6  -2.025  -5.172  -8.294
   52    H    TYR   7           H        TYR   7  -2.676  -1.876  -3.807
   53    HA   TYR   7           HA       TYR   7  -4.210  -4.439  -3.878
   54   1HB   TYR   7          1HB       TYR   7  -1.482  -3.754  -2.733
   55   2HB   TYR   7          2HB       TYR   7  -2.296  -5.266  -2.370
   56    HD1  TYR   7           HD1      TYR   7   0.023  -3.807  -4.558
   57    HD2  TYR   7           HD2      TYR   7  -3.310  -6.459  -4.571
   58    HE1  TYR   7           HE1      TYR   7   0.802  -4.788  -6.665
   59    HE2  TYR   7           HE2      TYR   7  -2.528  -7.434  -6.672
   60    HH   TYR   7           HH       TYR   7   0.530  -6.456  -8.136
   61    H    CYS   8           H        CYS   8  -3.066  -1.910  -1.691
   62    HA   CYS   8           HA       CYS   8  -5.040  -2.882   0.355
   63   1HB   CYS   8          1HB       CYS   8  -3.606  -2.047   2.048
   64   2HB   CYS   8          2HB       CYS   8  -2.544  -2.770   0.867
   65    H    GLU   9           H        GLU   9  -5.078  -0.709   1.911
   66    HA   GLU   9           HA       GLU   9  -6.430   1.363   0.221
   67   1HB   GLU   9          1HB       GLU   9  -7.874  -0.097   1.768
   68   2HB   GLU   9          2HB       GLU   9  -7.050   0.655   3.130
   69   1HG   GLU   9          2HG       GLU   9  -7.826   2.916   2.279
   70   2HG   GLU   9          1HG       GLU   9  -8.706   2.088   1.007
   71    H1   HAC  10           H1       HAC  10  -0.932   4.589   2.116
   72   1H2   HAC  10          1H2       HAC  10  -0.026   4.450  -0.229
   73   2H2   HAC  10          2H2       HAC  10   0.926   3.059   0.234
   74   1H3   HAC  10          1H3       HAC  10   1.167   5.845   1.458
   75   2H3   HAC  10          2H3       HAC  10   2.279   5.145   0.298
   76   1H4   HAC  10          1H4       HAC  10   2.826   3.338   1.903
   77   2H4   HAC  10          2H4       HAC  10   3.129   4.903   2.633
   78   1H5   HAC  10          1H5       HAC  10   1.922   3.405   4.202
   79   2H5   HAC  10          2H5       HAC  10   0.964   4.821   3.816
   80   1H6   HAC  10          1H6       HAC  10   0.652   2.041   2.605
   81   2H6   HAC  10          2H6       HAC  10  -0.462   2.811   3.720
   82   1H7   HAC  10          1H7       HAC  10  -1.550   2.663   0.115
   83   2H7   HAC  10          2H7       HAC  10  -1.559   1.731   1.555
   84    H8   HAC  10           H8       HAC  10  -3.094   3.449   2.611
   85   1HN8  HAC  10          1HN8      HAC  10  -3.912   1.763   0.277
   86    H    ARG  11           H        ARG  11  -2.664   5.637   2.314
   87    HA   ARG  11           HA       ARG  11  -3.538   6.816  -0.275
   88   1HB   ARG  11          1HB       ARG  11  -3.782   7.853   2.558
   89   2HB   ARG  11          2HB       ARG  11  -3.986   8.916   1.186
   90   1HG   ARG  11          2HG       ARG  11  -5.676   6.466   1.846
   91   2HG   ARG  11          1HG       ARG  11  -6.180   8.144   1.934
   92   1HD   ARG  11          2HD       ARG  11  -5.606   8.265  -0.612
   93   2HD   ARG  11          1HD       ARG  11  -5.569   6.508  -0.538
   94    HE   ARG  11           HE       ARG  11  -7.945   6.639   0.313
   95   1HH1  ARG  11          1HH1      ARG  11  -7.085   7.649  -2.586
   96   2HH1  ARG  11          2HH1      ARG  11  -8.270   8.895  -2.798
   97   1HH2  ARG  11          1HH2      ARG  11  -9.203   8.858   0.581
   98   2HH2  ARG  11          2HH2      ARG  11  -9.501   9.597  -0.957
   99    H    SER  12           H        SER  12  -2.304   7.877  -1.384
  100    HA   SER  12           HA       SER  12   0.203   9.145  -0.326
  101   1HB   SER  12          2HB       SER  12  -0.081   7.784  -3.074
  102   2HB   SER  12          1HB       SER  12   1.370   8.496  -2.407
  103    HG   SER  12           HG       SER  12   1.692   6.710  -1.377
  104    H    ALA  13           H        ALA  13   0.964  10.784  -2.026
  105    HA   ALA  13           HA       ALA  13  -1.396  12.395  -2.925
  106   1HB   ALA  13          1HB       ALA  13   1.443  13.267  -2.282
  107   2HB   ALA  13          2HB       ALA  13   0.050  13.469  -1.228
  108   3HB   ALA  13          3HB       ALA  13   0.127  14.334  -2.756
  109    H    ASP  14           H        ASP  14   1.413  10.749  -3.925
  110    HA   ASP  14           HA       ASP  14   1.052  11.700  -6.744
  111   1HB   ASP  14          1HB       ASP  14   3.154  12.492  -5.393
  112   2HB   ASP  14          2HB       ASP  14   3.714  10.832  -5.489
  113    H    SER  15           H        SER  15   2.190   9.902  -8.188
  114    HA   SER  15           HA       SER  15   1.015   7.290  -7.370
  115   1HB   SER  15          2HB       SER  15   1.775   8.371 -10.140
  116   2HB   SER  15          1HB       SER  15   0.985   6.816  -9.833
  117    HG   SER  15           HG       SER  15  -0.269   8.744  -8.456
  118    H    SER  16           H        SER  16   4.002   8.851  -8.377
  119    HA   SER  16           HA       SER  16   5.557   6.528  -8.891
  120   1HB   SER  16          2HB       SER  16   7.532   8.054  -8.440
  121   2HB   SER  16          1HB       SER  16   6.321   8.865  -9.444
  122    HG   SER  16           HG       SER  16   7.118   9.397  -6.901
  123    H    ASN  17           H        ASN  17   5.444   8.462  -5.873
  124    HA   ASN  17           HA       ASN  17   6.936   6.629  -4.307
  125   1HB   ASN  17          1HB       ASN  17   5.881   7.725  -2.320
  126   2HB   ASN  17          2HB       ASN  17   6.463   8.905  -3.469
  127   1HD2  ASN  17          1HD2      ASN  17   3.830   8.211  -5.154
  128   2HD2  ASN  17          2HD2      ASN  17   2.668   9.137  -4.337
  129    H    LEU  18           H        LEU  18   3.484   6.750  -5.086
  130    HA   LEU  18           HA       LEU  18   2.649   4.715  -3.280
  131   1HB   LEU  18          1HB       LEU  18   1.115   6.300  -4.550
  132   2HB   LEU  18          2HB       LEU  18   1.485   5.426  -6.031
  133    HG   LEU  18           HG       LEU  18   0.454   3.361  -5.117
  134   1HD1  LEU  18          1HD1      LEU  18   0.933   3.756  -2.658
  135   2HD1  LEU  18          2HD1      LEU  18  -0.753   3.419  -2.944
  136   3HD1  LEU  18          3HD1      LEU  18  -0.237   5.064  -2.675
  137   1HD2  LEU  18          1HD2      LEU  18  -1.885   4.195  -5.065
  138   2HD2  LEU  18          2HD2      LEU  18  -0.977   5.028  -6.312
  139   3HD2  LEU  18          3HD2      LEU  18  -1.313   5.830  -4.785
  140    H    LYS  19           H        LYS  19   3.939   4.596  -6.562
  141    HA   LYS  19           HA       LYS  19   3.631   1.783  -6.996
  142   1HB   LYS  19          1HB       LYS  19   4.360   3.710  -8.690
  143   2HB   LYS  19          2HB       LYS  19   5.962   3.514  -8.026
  144   1HG   LYS  19          2HG       LYS  19   4.429   1.204  -9.254
  145   2HG   LYS  19          1HG       LYS  19   5.470   2.261 -10.183
  146   1HD   LYS  19          2HD       LYS  19   7.435   1.596  -8.855
  147   2HD   LYS  19          1HD       LYS  19   6.450   0.602  -7.799
  148   1HE   LYS  19          2HE       LYS  19   7.527  -0.805  -9.503
  149   2HE   LYS  19          1HE       LYS  19   5.786  -0.813  -9.732
  150   1HZ   LYS  19          1HZ       LYS  19   7.754  -0.078 -11.551
  151   2HZ   LYS  19          2HZ       LYS  19   6.867   1.323 -11.189
  152   3HZ   LYS  19          3HZ       LYS  19   6.068  -0.062 -11.759
  153    H    THR  20           H        THR  20   6.358   3.698  -5.858
  154    HA   THR  20           HA       THR  20   8.185   1.723  -5.146
  155    HB   THR  20           HB       THR  20   7.580   4.222  -3.426
  156    HG1  THR  20           HG1      THR  20   8.281   3.937  -5.975
  157   1HG2  THR  20          1HG2      THR  20  10.170   2.675  -3.993
  158   2HG2  THR  20          2HG2      THR  20   9.277   2.555  -2.486
  159   3HG2  THR  20          3HG2      THR  20  10.013   4.081  -2.948
  160    H    HIS  21           H        HIS  21   5.615   3.034  -3.113
  161    HA   HIS  21           HA       HIS  21   5.770   1.498  -0.828
  162   1HB   HIS  21          1HB       HIS  21   4.120   3.180  -0.769
  163   2HB   HIS  21          2HB       HIS  21   3.411   2.746  -2.301
  164    HD1  HIS  21           HD1      HIS  21   3.445   1.524   1.245
  165    HD2  HIS  21           HD2      HIS  21   1.376   0.895  -2.218
  166    HE1  HIS  21           HE1      HIS  21   1.495   0.107   1.830
  167    H    ILE  22           H        ILE  22   3.878   0.603  -3.763
  168    HA   ILE  22           HA       ILE  22   3.147  -1.973  -2.796
  169    HB   ILE  22           HB       ILE  22   3.623  -0.990  -5.665
  170   1HG1  ILE  22          2HG1      ILE  22   1.001  -1.351  -4.147
  171   2HG1  ILE  22          1HG1      ILE  22   1.844   0.180  -4.242
  172   1HG2  ILE  22          1HG2      ILE  22   2.178  -3.513  -4.729
  173   2HG2  ILE  22          2HG2      ILE  22   3.693  -3.471  -5.607
  174   3HG2  ILE  22          3HG2      ILE  22   2.227  -2.939  -6.390
  175   1HD1  ILE  22          1HD1      ILE  22   0.791  -1.378  -6.646
  176   2HD1  ILE  22          2HD1      ILE  22   1.662   0.147  -6.717
  177   3HD1  ILE  22          3HD1      ILE  22   0.082   0.070  -5.958
  178    H    LYS  23           H        LYS  23   5.930  -1.060  -4.717
  179    HA   LYS  23           HA       LYS  23   7.006  -3.732  -4.864
  180   1HB   LYS  23          1HB       LYS  23   7.570  -1.829  -6.406
  181   2HB   LYS  23          2HB       LYS  23   8.507  -1.099  -5.114
  182   1HG   LYS  23          2HG       LYS  23  10.073  -2.939  -5.076
  183   2HG   LYS  23          1HG       LYS  23   9.036  -3.944  -6.074
  184   1HD   LYS  23          2HD       LYS  23   9.395  -2.320  -7.971
  185   2HD   LYS  23          1HD       LYS  23  10.464  -1.385  -6.935
  186   1HE   LYS  23          2HE       LYS  23  11.990  -3.313  -6.714
  187   2HE   LYS  23          1HE       LYS  23  10.896  -4.323  -7.648
  188   1HZ   LYS  23          1HZ       LYS  23  11.424  -2.008  -9.120
  189   2HZ   LYS  23          2HZ       LYS  23  11.848  -3.612  -9.473
  190   3HZ   LYS  23          3HZ       LYS  23  12.905  -2.633  -8.574
  191    H    THR  24           H        THR  24   6.660  -1.823  -2.207
  192    HA   THR  24           HA       THR  24   9.035  -2.952  -0.787
  193    HB   THR  24           HB       THR  24   7.454  -0.398  -0.187
  194    HG1  THR  24           HG1      THR  24   8.710  -0.145  -1.914
  195   1HG2  THR  24          1HG2      THR  24  10.111  -1.440   0.948
  196   2HG2  THR  24          2HG2      THR  24   8.614  -1.460   1.869
  197   3HG2  THR  24          3HG2      THR  24   9.309   0.070   1.361
  198    H    LYS  25           H        LYS  25   5.619  -2.192  -0.202
  199    HA   LYS  25           HA       LYS  25   5.612  -4.023   2.125
  200   1HB   LYS  25          1HB       LYS  25   4.034  -1.583   1.373
  201   2HB   LYS  25          2HB       LYS  25   3.317  -2.722   2.501
  202   1HG   LYS  25          2HG       LYS  25   5.231  -2.619   3.983
  203   2HG   LYS  25          1HG       LYS  25   6.124  -1.602   2.867
  204   1HD   LYS  25          2HD       LYS  25   4.540   0.241   3.216
  205   2HD   LYS  25          1HD       LYS  25   3.468  -0.800   4.139
  206   1HE   LYS  25          2HE       LYS  25   4.855   0.654   5.628
  207   2HE   LYS  25          1HE       LYS  25   5.186  -1.048   5.906
  208   1HZ   LYS  25          1HZ       LYS  25   7.287  -0.686   5.447
  209   2HZ   LYS  25          2HZ       LYS  25   6.971   0.963   5.188
  210   3HZ   LYS  25          3HZ       LYS  25   6.896  -0.131   3.891
  211    H    HIS  26           H        HIS  26   4.755  -4.464  -1.022
  212    HA   HIS  26           HA       HIS  26   2.572  -6.357  -0.225
  213   1HB   HIS  26          1HB       HIS  26   2.839  -4.646  -2.728
  214   2HB   HIS  26          2HB       HIS  26   1.766  -6.028  -2.647
  215    HD1  HIS  26           HD1      HIS  26   0.318  -5.824  -0.189
  216    HD2  HIS  26           HD2      HIS  26   1.449  -2.361  -2.009
  217    HE1  HIS  26           HE1      HIS  26  -1.145  -4.060   0.715
  218    H    SER  27           H        SER  27   4.841  -5.671  -2.735
  219    HA   SER  27           HA       SER  27   5.181  -8.030  -4.057
  220   1HB   SER  27          2HB       SER  27   7.315  -6.014  -3.247
  221   2HB   SER  27          1HB       SER  27   7.543  -7.231  -4.520
  222    HG   SER  27           HG       SER  27   5.776  -5.086  -4.361
  223    H    LYS  28           H        LYS  28   6.910  -7.272  -1.158
  224    HA   LYS  28           HA       LYS  28   7.697 -10.145  -0.832
  225   1HB   LYS  28          1HB       LYS  28   9.136  -7.664   0.179
  226   2HB   LYS  28          2HB       LYS  28   9.625  -9.318   0.501
  227   1HG   LYS  28          2HG       LYS  28   9.900  -9.713  -1.948
  228   2HG   LYS  28          1HG       LYS  28   9.408  -8.068  -2.275
  229   1HD   LYS  28          2HD       LYS  28  11.857  -8.191  -2.344
  230   2HD   LYS  28          1HD       LYS  28  11.352  -7.201  -0.991
  231   1HE   LYS  28          2HE       LYS  28  13.205  -8.777  -0.402
  232   2HE   LYS  28          1HE       LYS  28  11.786  -9.044   0.590
  233   1HZ   LYS  28          1HZ       LYS  28  11.714 -11.112  -0.114
  234   2HZ   LYS  28          2HZ       LYS  28  13.118 -10.856  -1.034
  235   3HZ   LYS  28          3HZ       LYS  28  11.589 -10.612  -1.731
  236    H    GLU  29           H        GLU  29   6.735  -7.312   0.868
  237    HA   GLU  29           HA       GLU  29   5.982  -8.893   3.301
  238   1HB   GLU  29          1HB       GLU  29   7.737  -7.116   3.529
  239   2HB   GLU  29          2HB       GLU  29   6.604  -5.927   2.939
  240   1HG   GLU  29          2HG       GLU  29   5.164  -6.282   4.940
  241   2HG   GLU  29          1HG       GLU  29   6.296  -7.491   5.533
  242    H    LYS  30           H        LYS  30   4.106  -7.687   4.496
  243    HA   LYS  30           HA       LYS  30   1.923  -6.975   2.569
  244   1HB   LYS  30          1HB       LYS  30   0.350  -8.139   4.112
  245   2HB   LYS  30          2HB       LYS  30   1.518  -9.239   3.420
  246   1HG   LYS  30          2HG       LYS  30   2.865  -9.120   5.529
  247   2HG   LYS  30          1HG       LYS  30   1.691  -8.006   6.214
  248   1HD   LYS  30          2HD       LYS  30  -0.095  -9.709   6.001
  249   2HD   LYS  30          1HD       LYS  30   1.033 -10.842   5.280
  250   1HE   LYS  30          2HE       LYS  30   1.257  -9.680   8.094
  251   2HE   LYS  30          1HE       LYS  30   0.711 -11.303   7.698
  252   1HZ   LYS  30          1HZ       LYS  30   3.153 -10.890   6.418
  253   2HZ   LYS  30          2HZ       LYS  30   2.789 -11.964   7.681
  254   3HZ   LYS  30          3HZ       LYS  30   3.325 -10.390   8.032
  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1  -6.410  14.792  -6.700
    2   2H    LYS   1          2H        LYS   1  -7.786  15.611  -7.267
    3   3H    LYS   1          3H        LYS   1  -6.917  14.585  -8.306
    4    HA   LYS   1           HA       LYS   1  -9.056  13.967  -6.619
    5   1HB   LYS   1          2HB       LYS   1  -8.854  13.026  -8.862
    6   2HB   LYS   1          1HB       LYS   1  -7.266  12.375  -8.515
    7   1HG   LYS   1          2HG       LYS   1  -8.979  10.597  -8.520
    8   2HG   LYS   1          1HG       LYS   1  -8.224  10.729  -6.954
    9   1HD   LYS   1          2HD       LYS   1 -10.235  12.153  -6.213
   10   2HD   LYS   1          1HD       LYS   1 -10.973  11.778  -7.759
   11   1HE   LYS   1          2HE       LYS   1 -11.754  10.189  -6.036
   12   2HE   LYS   1          1HE       LYS   1 -10.775   9.326  -7.214
   13   1HZ   LYS   1          1HZ       LYS   1  -9.094  10.340  -5.212
   14   2HZ   LYS   1          2HZ       LYS   1  -9.418   8.720  -5.611
   15   3HZ   LYS   1          3HZ       LYS   1 -10.386   9.525  -4.469
   16    H    THR   2           H        THR   2  -5.824  12.696  -6.768
   17    HA   THR   2           HA       THR   2  -4.334  12.200  -4.945
   18    HB   THR   2           HB       THR   2  -6.830  11.292  -3.338
   19    HG1  THR   2           HG1      THR   2  -5.522  13.426  -2.367
   20   1HG2  THR   2          1HG2      THR   2  -5.316  11.437  -1.387
   21   2HG2  THR   2          2HG2      THR   2  -3.982  11.918  -2.419
   22   3HG2  THR   2          3HG2      THR   2  -4.647  10.292  -2.525
   23    H    TYR   3           H        TYR   3  -3.783   9.903  -4.121
   24    HA   TYR   3           HA       TYR   3  -5.063   7.838  -5.862
   25   1HB   TYR   3          1HB       TYR   3  -2.094   8.195  -5.269
   26   2HB   TYR   3          2HB       TYR   3  -2.781   6.850  -6.162
   27    HD1  TYR   3           HD1      TYR   3  -2.481  10.588  -6.205
   28    HD2  TYR   3           HD2      TYR   3  -3.224   7.058  -8.477
   29    HE1  TYR   3           HE1      TYR   3  -2.424  11.900  -8.272
   30    HE2  TYR   3           HE2      TYR   3  -3.165   8.373 -10.538
   31    HH   TYR   3           HH       TYR   3  -2.594  11.879 -10.481
   32    H    GLN   4           H        GLN   4  -5.219   5.845  -5.105
   33    HA   GLN   4           HA       GLN   4  -4.567   5.319  -2.237
   34   1HB   GLN   4          1HB       GLN   4  -7.044   4.544  -3.850
   35   2HB   GLN   4          2HB       GLN   4  -6.720   3.921  -2.250
   36   1HG   GLN   4          2HG       GLN   4  -6.987   6.899  -2.926
   37   2HG   GLN   4          1HG       GLN   4  -8.289   5.916  -2.285
   38   1HE2  GLN   4          1HE2      GLN   4  -6.045   4.479  -0.556
   39   2HE2  GLN   4          2HE2      GLN   4  -5.858   5.550   0.738
   40    H    CYS   5           H        CYS   5  -3.931   3.048  -1.838
   41    HA   CYS   5           HA       CYS   5  -2.465   1.922  -4.034
   42   1HB   CYS   5          1HB       CYS   5  -1.911   1.617  -1.635
   43   2HB   CYS   5          2HB       CYS   5  -3.341   0.610  -1.452
   44    H    GLN   6           H        GLN   6  -2.742  -0.081  -5.028
   45    HA   GLN   6           HA       GLN   6  -5.625  -0.861  -5.437
   46   1HB   GLN   6          1HB       GLN   6  -3.252  -1.343  -7.294
   47   2HB   GLN   6          2HB       GLN   6  -4.937  -1.619  -7.677
   48   1HG   GLN   6          2HG       GLN   6  -3.683   1.111  -7.127
   49   2HG   GLN   6          1HG       GLN   6  -4.115   0.481  -8.705
   50   1HE2  GLN   6          2HE2      GLN   6  -6.122   1.075  -9.448
   51   2HE2  GLN   6          1HE2      GLN   6  -7.406   1.625  -8.482
   52    H    TYR   7           H        TYR   7  -3.850  -1.680  -3.356
   53    HA   TYR   7           HA       TYR   7  -4.036  -4.629  -3.622
   54   1HB   TYR   7          1HB       TYR   7  -1.604  -3.017  -2.693
   55   2HB   TYR   7          2HB       TYR   7  -1.781  -4.734  -2.388
   56    HD1  TYR   7           HD1      TYR   7  -1.580  -6.350  -4.186
   57    HD2  TYR   7           HD2      TYR   7  -1.344  -2.187  -5.052
   58    HE1  TYR   7           HE1      TYR   7  -0.751  -6.866  -6.428
   59    HE2  TYR   7           HE2      TYR   7  -0.518  -2.713  -7.299
   60    HH   TYR   7           HH       TYR   7  -0.050  -4.300  -8.774
   61    H    CYS   8           H        CYS   8  -3.336  -1.906  -1.536
   62    HA   CYS   8           HA       CYS   8  -5.070  -3.042   0.626
   63   1HB   CYS   8          1HB       CYS   8  -3.512  -2.251   2.274
   64   2HB   CYS   8          2HB       CYS   8  -2.528  -2.972   1.017
   65    H    GLU   9           H        GLU   9  -4.835  -0.756   2.226
   66    HA   GLU   9           HA       GLU   9  -6.393   1.275   0.664
   67   1HB   GLU   9          1HB       GLU   9  -7.650  -0.125   2.376
   68   2HB   GLU   9          2HB       GLU   9  -6.633   0.574   3.629
   69   1HG   GLU   9          2HG       GLU   9  -7.473   2.867   2.973
   70   2HG   GLU   9          1HG       GLU   9  -8.498   2.110   1.769
   71    H1   HAC  10           H1       HAC  10  -0.814   4.456   2.313
   72   1H2   HAC  10          1H2       HAC  10   0.251   4.371  -0.034
   73   2H2   HAC  10          2H2       HAC  10   1.230   3.050   0.544
   74   1H3   HAC  10          1H3       HAC  10   1.379   5.954   1.227
   75   2H3   HAC  10          2H3       HAC  10   2.677   4.808   0.983
   76   1H4   HAC  10          1H4       HAC  10   2.826   5.140   3.296
   77   2H4   HAC  10          2H4       HAC  10   1.105   5.383   3.489
   78   1H5   HAC  10          1H5       HAC  10   2.444   2.704   2.933
   79   2H5   HAC  10          2H5       HAC  10   1.828   3.225   4.487
   80   1H6   HAC  10          1H6       HAC  10   0.353   1.713   2.785
   81   2H6   HAC  10          2H6       HAC  10  -0.366   2.821   3.925
   82   1H7   HAC  10          1H7       HAC  10  -1.371   2.760   0.130
   83   2H7   HAC  10          2H7       HAC  10  -1.448   1.672   1.471
   84    H8   HAC  10           H8       HAC  10  -2.897   3.513   2.635
   85   1HN8  HAC  10          1HN8      HAC  10  -3.801   1.650   0.469
   86    H    ARG  11           H        ARG  11  -2.341   5.694   2.082
   87    HA   ARG  11           HA       ARG  11  -3.441   6.651  -0.534
   88   1HB   ARG  11          1HB       ARG  11  -4.133   8.729   0.631
   89   2HB   ARG  11          2HB       ARG  11  -4.938   7.305   1.252
   90   1HG   ARG  11          2HG       ARG  11  -3.568   7.240   3.233
   91   2HG   ARG  11          1HG       ARG  11  -2.441   8.426   2.606
   92   1HD   ARG  11          2HD       ARG  11  -3.990   9.453   4.243
   93   2HD   ARG  11          1HD       ARG  11  -4.195  10.162   2.649
   94    HE   ARG  11           HE       ARG  11  -6.024   8.069   3.783
   95   1HH1  ARG  11          2HH1      ARG  11  -5.984  11.298   3.227
   96   2HH1  ARG  11          1HH1      ARG  11  -7.334  11.351   2.144
   97   1HH2  ARG  11          1HH2      ARG  11  -7.471   7.872   1.809
   98   2HH2  ARG  11          2HH2      ARG  11  -8.192   9.367   1.322
   99    H    SER  12           H        SER  12  -2.475   8.135  -1.616
  100    HA   SER  12           HA       SER  12  -0.022   9.512  -0.671
  101   1HB   SER  12          2HB       SER  12  -0.178   7.851  -3.249
  102   2HB   SER  12          1HB       SER  12   1.190   8.848  -2.784
  103    HG   SER  12           HG       SER  12   0.539   7.334  -0.692
  104    H    ALA  13           H        ALA  13   0.433  11.409  -1.974
  105    HA   ALA  13           HA       ALA  13  -1.920  12.354  -3.598
  106   1HB   ALA  13          1HB       ALA  13   0.082  13.984  -1.961
  107   2HB   ALA  13          2HB       ALA  13  -1.555  13.605  -1.457
  108   3HB   ALA  13          3HB       ALA  13  -1.288  14.635  -2.852
  109    H    ASP  14           H        ASP  14   0.730  10.932  -4.013
  110    HA   ASP  14           HA       ASP  14   1.629  12.381  -6.443
  111   1HB   ASP  14          1HB       ASP  14   3.255  12.871  -4.677
  112   2HB   ASP  14          2HB       ASP  14   3.264  11.194  -4.146
  113    H    SER  15           H        SER  15   2.792  10.704  -7.907
  114    HA   SER  15           HA       SER  15   1.584   7.986  -7.512
  115   1HB   SER  15          2HB       SER  15   1.765   9.611 -10.108
  116   2HB   SER  15          1HB       SER  15   1.125   7.960  -9.997
  117    HG   SER  15           HG       SER  15  -0.642   8.806  -9.290
  118    H    SER  16           H        SER  16   4.073   8.593  -6.726
  119    HA   SER  16           HA       SER  16   5.796   6.815  -8.396
  120   1HB   SER  16          2HB       SER  16   6.623   9.260  -8.523
  121   2HB   SER  16          1HB       SER  16   6.761   9.257  -6.757
  122    HG   SER  16           HG       SER  16   8.529   8.206  -6.979
  123    H    ASN  17           H        ASN  17   5.243   8.476  -5.403
  124    HA   ASN  17           HA       ASN  17   6.479   6.792  -3.537
  125   1HB   ASN  17          1HB       ASN  17   3.963   8.498  -3.262
  126   2HB   ASN  17          2HB       ASN  17   4.741   7.716  -1.895
  127   1HD2  ASN  17          2HD2      ASN  17   6.131   9.085  -0.816
  128   2HD2  ASN  17          1HD2      ASN  17   7.012  10.349  -1.525
  129    H    LEU  18           H        LEU  18   3.119   6.651  -4.726
  130    HA   LEU  18           HA       LEU  18   2.401   4.381  -3.155
  131   1HB   LEU  18          1HB       LEU  18   0.820   5.990  -4.359
  132   2HB   LEU  18          2HB       LEU  18   1.278   5.219  -5.877
  133    HG   LEU  18           HG       LEU  18   0.317   3.011  -4.989
  134   1HD1  LEU  18          1HD1      LEU  18  -0.624   4.789  -2.685
  135   2HD1  LEU  18          2HD1      LEU  18   0.602   3.542  -2.532
  136   3HD1  LEU  18          3HD1      LEU  18  -1.036   3.105  -2.942
  137   1HD2  LEU  18          1HD2      LEU  18  -2.008   3.724  -5.228
  138   2HD2  LEU  18          2HD2      LEU  18  -1.024   4.603  -6.375
  139   3HD2  LEU  18          3HD2      LEU  18  -1.571   5.398  -4.905
  140    H    LYS  19           H        LYS  19   3.883   4.633  -6.319
  141    HA   LYS  19           HA       LYS  19   3.646   1.831  -6.970
  142   1HB   LYS  19          1HB       LYS  19   4.469   4.052  -8.385
  143   2HB   LYS  19          2HB       LYS  19   6.039   3.535  -7.830
  144   1HG   LYS  19          2HG       LYS  19   5.810   2.565  -9.975
  145   2HG   LYS  19          1HG       LYS  19   5.532   1.239  -8.857
  146   1HD   LYS  19          2HD       LYS  19   3.088   1.464  -9.125
  147   2HD   LYS  19          1HD       LYS  19   3.293   2.921 -10.083
  148   1HE   LYS  19          2HE       LYS  19   4.518   1.585 -11.812
  149   2HE   LYS  19          1HE       LYS  19   4.232   0.130 -10.869
  150   1HZ   LYS  19          1HZ       LYS  19   2.549   1.365 -12.709
  151   2HZ   LYS  19          2HZ       LYS  19   1.796   1.461 -11.191
  152   3HZ   LYS  19          3HZ       LYS  19   2.270  -0.047 -11.811
  153    H    THR  20           H        THR  20   6.279   3.731  -5.648
  154    HA   THR  20           HA       THR  20   8.141   1.746  -5.029
  155    HB   THR  20           HB       THR  20   7.445   4.183  -3.247
  156    HG1  THR  20           HG1      THR  20   9.494   4.439  -4.952
  157   1HG2  THR  20          1HG2      THR  20   9.866   4.069  -2.691
  158   2HG2  THR  20          2HG2      THR  20  10.105   2.734  -3.808
  159   3HG2  THR  20          3HG2      THR  20   9.187   2.490  -2.331
  160    H    HIS  21           H        HIS  21   5.537   2.982  -2.960
  161    HA   HIS  21           HA       HIS  21   5.619   1.371  -0.762
  162   1HB   HIS  21          1HB       HIS  21   3.974   3.069  -0.793
  163   2HB   HIS  21          2HB       HIS  21   3.311   2.566  -2.329
  164    HD1  HIS  21           HD1      HIS  21   3.368   1.365   1.228
  165    HD2  HIS  21           HD2      HIS  21   1.260   0.789  -2.218
  166    HE1  HIS  21           HE1      HIS  21   1.424  -0.051   1.827
  167    H    ILE  22           H        ILE  22   3.718   0.525  -3.725
  168    HA   ILE  22           HA       ILE  22   2.993  -2.074  -2.887
  169    HB   ILE  22           HB       ILE  22   3.625  -1.052  -5.711
  170   1HG1  ILE  22          2HG1      ILE  22   0.905  -1.402  -4.372
  171   2HG1  ILE  22          1HG1      ILE  22   1.777   0.099  -4.247
  172   1HG2  ILE  22          1HG2      ILE  22   2.019  -3.519  -4.856
  173   2HG2  ILE  22          2HG2      ILE  22   3.600  -3.558  -5.623
  174   3HG2  ILE  22          3HG2      ILE  22   2.219  -2.955  -6.505
  175   1HD1  ILE  22          1HD1      ILE  22   0.905  -1.229  -6.853
  176   2HD1  ILE  22          2HD1      ILE  22   1.818   0.261  -6.749
  177   3HD1  ILE  22          3HD1      ILE  22   0.179   0.191  -6.124
  178    H    LYS  23           H        LYS  23   5.730  -1.134  -4.851
  179    HA   LYS  23           HA       LYS  23   7.027  -3.575  -5.155
  180   1HB   LYS  23          1HB       LYS  23   8.248  -0.785  -4.922
  181   2HB   LYS  23          2HB       LYS  23   9.108  -2.176  -5.524
  182   1HG   LYS  23          2HG       LYS  23   6.468  -1.582  -6.835
  183   2HG   LYS  23          1HG       LYS  23   7.752  -0.441  -7.133
  184   1HD   LYS  23          2HD       LYS  23   7.735  -2.165  -8.890
  185   2HD   LYS  23          1HD       LYS  23   9.216  -2.264  -7.966
  186   1HE   LYS  23          2HE       LYS  23   8.247  -4.510  -8.426
  187   2HE   LYS  23          1HE       LYS  23   8.326  -4.213  -6.702
  188   1HZ   LYS  23          1HZ       LYS  23   6.150  -4.504  -6.589
  189   2HZ   LYS  23          2HZ       LYS  23   6.106  -4.847  -8.249
  190   3HZ   LYS  23          3HZ       LYS  23   5.876  -3.255  -7.706
  191    H    THR  24           H        THR  24   6.805  -1.915  -2.168
  192    HA   THR  24           HA       THR  24   9.022  -3.603  -1.080
  193    HB   THR  24           HB       THR  24   9.653  -1.231  -1.019
  194    HG1  THR  24           HG1      THR  24  10.446  -1.748   0.826
  195   1HG2  THR  24          1HG2      THR  24   7.325  -0.196  -0.817
  196   2HG2  THR  24          2HG2      THR  24   8.434   0.374   0.412
  197   3HG2  THR  24          3HG2      THR  24   7.229  -0.833   0.812
  198    H    LYS  25           H        LYS  25   5.739  -2.451  -0.306
  199    HA   LYS  25           HA       LYS  25   5.765  -4.148   2.125
  200   1HB   LYS  25          1HB       LYS  25   3.748  -2.100   1.151
  201   2HB   LYS  25          2HB       LYS  25   3.532  -3.062   2.608
  202   1HG   LYS  25          2HG       LYS  25   5.672  -0.979   2.082
  203   2HG   LYS  25          1HG       LYS  25   4.388  -0.926   3.264
  204   1HD   LYS  25          2HD       LYS  25   5.440  -2.995   4.374
  205   2HD   LYS  25          1HD       LYS  25   6.813  -2.775   3.300
  206   1HE   LYS  25          2HE       LYS  25   7.340  -1.695   5.400
  207   2HE   LYS  25          1HE       LYS  25   7.111  -0.446   4.185
  208   1HZ   LYS  25          1HZ       LYS  25   4.635  -1.018   5.358
  209   2HZ   LYS  25          2HZ       LYS  25   5.528   0.424   5.416
  210   3HZ   LYS  25          3HZ       LYS  25   5.768  -0.773   6.597
  211    H    HIS  26           H        HIS  26   4.551  -4.406  -1.091
  212    HA   HIS  26           HA       HIS  26   2.682  -6.559  -0.198
  213   1HB   HIS  26          1HB       HIS  26   2.794  -4.840  -2.725
  214   2HB   HIS  26          2HB       HIS  26   1.706  -6.198  -2.577
  215    HD1  HIS  26           HD1      HIS  26   0.600  -5.841   0.182
  216    HD2  HIS  26           HD2      HIS  26   1.240  -2.605  -2.222
  217    HE1  HIS  26           HE1      HIS  26  -0.838  -4.027   1.054
  218    H    SER  27           H        SER  27   4.988  -5.621  -2.581
  219    HA   SER  27           HA       SER  27   5.717  -7.484  -4.209
  220   1HB   SER  27          2HB       SER  27   8.198  -7.103  -3.545
  221   2HB   SER  27          1HB       SER  27   7.217  -5.671  -3.860
  222    HG   SER  27           HG       SER  27   7.475  -5.141  -1.860
  223    H    LYS  28           H        LYS  28   7.237  -8.001  -1.145
  224    HA   LYS  28           HA       LYS  28   6.963 -10.973  -1.460
  225   1HB   LYS  28          1HB       LYS  28   9.249 -10.204  -1.960
  226   2HB   LYS  28          2HB       LYS  28   9.383  -9.483  -0.367
  227   1HG   LYS  28          2HG       LYS  28   8.946 -11.777   0.636
  228   2HG   LYS  28          1HG       LYS  28   8.979 -12.447  -0.981
  229   1HD   LYS  28          2HD       LYS  28  11.263 -10.952   0.367
  230   2HD   LYS  28          1HD       LYS  28  11.141 -12.694   0.235
  231   1HE   LYS  28          2HE       LYS  28  11.175 -12.485  -2.272
  232   2HE   LYS  28          1HE       LYS  28  11.374 -10.743  -2.101
  233   1HZ   LYS  28          1HZ       LYS  28  13.331 -12.712  -2.026
  234   2HZ   LYS  28          2HZ       LYS  28  13.271 -11.999  -0.487
  235   3HZ   LYS  28          3HZ       LYS  28  13.513 -11.031  -1.861
  236    H    GLU  29           H        GLU  29   8.053  -8.818   1.018
  237    HA   GLU  29           HA       GLU  29   7.982  -9.164   3.397
  238   1HB   GLU  29          1HB       GLU  29   5.114  -8.450   2.660
  239   2HB   GLU  29          2HB       GLU  29   5.940  -8.056   4.152
  240   1HG   GLU  29          2HG       GLU  29   6.628  -6.955   1.394
  241   2HG   GLU  29          1HG       GLU  29   5.807  -6.123   2.696
  242    H    LYS  30           H        LYS  30   8.299 -11.272   3.933
  243    HA   LYS  30           HA       LYS  30   5.904 -13.028   4.312
  244   1HB   LYS  30          1HB       LYS  30   8.862 -13.740   4.406
  245   2HB   LYS  30          2HB       LYS  30   7.543 -14.882   4.472
  246   1HG   LYS  30          2HG       LYS  30   8.220 -13.070   2.108
  247   2HG   LYS  30          1HG       LYS  30   8.589 -14.771   2.208
  248   1HD   LYS  30          2HD       LYS  30   5.765 -13.609   2.205
  249   2HD   LYS  30          1HD       LYS  30   6.564 -14.315   0.820
  250   1HE   LYS  30          2HE       LYS  30   6.768 -16.489   2.065
  251   2HE   LYS  30          1HE       LYS  30   5.866 -15.785   3.402
  252   1HZ   LYS  30          1HZ       LYS  30   4.462 -15.310   1.031
  253   2HZ   LYS  30          2HZ       LYS  30   4.010 -16.262   2.366
  254   3HZ   LYS  30          3HZ       LYS  30   4.877 -16.954   1.082
  Start of MODEL   10
    1   1H    LYS   1          1H        LYS   1  -8.090  12.560  -4.914
    2   2H    LYS   1          2H        LYS   1  -9.103  13.879  -5.252
    3   3H    LYS   1          3H        LYS   1  -9.403  12.899  -3.897
    4    HA   LYS   1           HA       LYS   1  -7.797  15.203  -4.082
    5   1HB   LYS   1          2HB       LYS   1  -8.082  13.245  -1.746
    6   2HB   LYS   1          1HB       LYS   1  -7.654  14.940  -1.643
    7   1HG   LYS   1          2HG       LYS   1  -9.924  15.541  -2.530
    8   2HG   LYS   1          1HG       LYS   1 -10.336  13.835  -2.563
    9   1HD   LYS   1          2HD       LYS   1  -9.924  13.672  -0.110
   10   2HD   LYS   1          1HD       LYS   1  -9.528  15.383  -0.070
   11   1HE   LYS   1          2HE       LYS   1 -11.819  15.934  -0.905
   12   2HE   LYS   1          1HE       LYS   1 -12.211  14.222  -0.924
   13   1HZ   LYS   1          1HZ       LYS   1 -12.327  16.008   1.214
   14   2HZ   LYS   1          2HZ       LYS   1 -11.173  14.819   1.585
   15   3HZ   LYS   1          3HZ       LYS   1 -12.760  14.366   1.176
   16    H    THR   2           H        THR   2  -7.114  11.964  -2.996
   17    HA   THR   2           HA       THR   2  -4.213  12.224  -3.667
   18    HB   THR   2           HB       THR   2  -3.860  10.594  -1.694
   19    HG1  THR   2           HG1      THR   2  -5.613   9.626  -1.135
   20   1HG2  THR   2          1HG2      THR   2  -3.834  13.107  -1.197
   21   2HG2  THR   2          2HG2      THR   2  -4.440  12.142   0.139
   22   3HG2  THR   2          3HG2      THR   2  -5.560  13.022  -0.889
   23    H    TYR   3           H        TYR   3  -3.403   9.757  -3.576
   24    HA   TYR   3           HA       TYR   3  -5.011   8.238  -5.583
   25   1HB   TYR   3          1HB       TYR   3  -1.997   8.199  -4.992
   26   2HB   TYR   3          2HB       TYR   3  -2.794   7.207  -6.204
   27    HD1  TYR   3           HD1      TYR   3  -2.280  10.809  -5.242
   28    HD2  TYR   3           HD2      TYR   3  -3.071   8.042  -8.383
   29    HE1  TYR   3           HE1      TYR   3  -2.087  12.614  -6.888
   30    HE2  TYR   3           HE2      TYR   3  -2.870   9.846 -10.021
   31    HH   TYR   3           HH       TYR   3  -2.205  13.187  -9.038
   32    H    GLN   4           H        GLN   4  -5.472   6.159  -5.071
   33    HA   GLN   4           HA       GLN   4  -4.899   5.256  -2.279
   34   1HB   GLN   4          1HB       GLN   4  -7.303   5.637  -3.058
   35   2HB   GLN   4          2HB       GLN   4  -7.058   4.362  -4.228
   36   1HG   GLN   4          2HG       GLN   4  -8.183   3.393  -2.312
   37   2HG   GLN   4          1HG       GLN   4  -6.533   2.784  -2.301
   38   1HE2  GLN   4          2HE2      GLN   4  -5.587   2.917  -0.292
   39   2HE2  GLN   4          1HE2      GLN   4  -5.953   4.075   0.894
   40    H    CYS   5           H        CYS   5  -4.196   2.945  -2.002
   41    HA   CYS   5           HA       CYS   5  -2.454   2.087  -4.129
   42   1HB   CYS   5          1HB       CYS   5  -2.067   1.546  -1.760
   43   2HB   CYS   5          2HB       CYS   5  -3.526   0.558  -1.737
   44    H    GLN   6           H        GLN   6  -2.582  -0.050  -5.128
   45    HA   GLN   6           HA       GLN   6  -5.322  -0.536  -6.205
   46   1HB   GLN   6          1HB       GLN   6  -2.551  -1.282  -7.231
   47   2HB   GLN   6          2HB       GLN   6  -4.006  -1.926  -7.949
   48   1HG   GLN   6          2HG       GLN   6  -3.354  -0.063  -9.303
   49   2HG   GLN   6          1HG       GLN   6  -4.761   0.455  -8.402
   50   1HE2  GLN   6          1HE2      GLN   6  -1.519   1.228  -9.166
   51   2HE2  GLN   6          2HE2      GLN   6  -1.320   2.500  -8.060
   52    H    TYR   7           H        TYR   7  -3.639  -1.633  -3.721
   53    HA   TYR   7           HA       TYR   7  -4.759  -4.395  -3.914
   54   1HB   TYR   7          1HB       TYR   7  -1.990  -3.674  -2.852
   55   2HB   TYR   7          2HB       TYR   7  -2.711  -5.271  -2.784
   56    HD1  TYR   7           HD1      TYR   7  -1.523  -2.630  -5.142
   57    HD2  TYR   7           HD2      TYR   7  -2.784  -6.679  -4.717
   58    HE1  TYR   7           HE1      TYR   7  -0.810  -3.095  -7.432
   59    HE2  TYR   7           HE2      TYR   7  -2.070  -7.138  -7.012
   60    HH   TYR   7           HH       TYR   7  -1.282  -6.302  -8.888
   61    H    CYS   8           H        CYS   8  -3.538  -1.897  -1.754
   62    HA   CYS   8           HA       CYS   8  -5.296  -2.984   0.421
   63   1HB   CYS   8          1HB       CYS   8  -3.663  -2.354   2.012
   64   2HB   CYS   8          2HB       CYS   8  -2.754  -3.013   0.669
   65    H    GLU   9           H        GLU   9  -4.988  -0.907   2.146
   66    HA   GLU   9           HA       GLU   9  -6.631   1.251   0.913
   67   1HB   GLU   9          1HB       GLU   9  -7.774  -0.159   2.590
   68   2HB   GLU   9          2HB       GLU   9  -6.492   0.141   3.763
   69   1HG   GLU   9          2HG       GLU   9  -8.502   1.405   4.304
   70   2HG   GLU   9          1HG       GLU   9  -7.227   2.527   3.917
   71    H1   HAC  10           H1       HAC  10  -0.878   4.210   2.350
   72   1H2   HAC  10          1H2       HAC  10   0.353   4.250   0.160
   73   2H2   HAC  10          2H2       HAC  10   1.059   2.707   0.555
   74   1H3   HAC  10          1H3       HAC  10   1.422   5.272   2.166
   75   2H3   HAC  10          2H3       HAC  10   2.615   4.576   1.087
   76   1H4   HAC  10          1H4       HAC  10   2.734   2.551   2.500
   77   2H4   HAC  10          2H4       HAC  10   3.063   3.970   3.471
   78   1H5   HAC  10          1H5       HAC  10   1.491   2.439   4.639
   79   2H5   HAC  10          2H5       HAC  10   0.741   3.992   4.317
   80   1H6   HAC  10          1H6       HAC  10   0.362   1.445   2.696
   81   2H6   HAC  10          2H6       HAC  10  -0.828   2.186   3.746
   82   1H7   HAC  10          1H7       HAC  10  -1.421   2.710   0.048
   83   2H7   HAC  10          2H7       HAC  10  -1.637   1.521   1.272
   84    H8   HAC  10           H8       HAC  10  -2.947   3.432   2.545
   85   1HN8  HAC  10          1HN8      HAC  10  -4.026   1.605   0.427
   86    H    ARG  11           H        ARG  11  -2.526   5.556   2.131
   87    HA   ARG  11           HA       ARG  11  -3.391   6.641  -0.520
   88   1HB   ARG  11          1HB       ARG  11  -3.775   7.952   2.199
   89   2HB   ARG  11          2HB       ARG  11  -4.272   8.619   0.653
   90   1HG   ARG  11          2HG       ARG  11  -5.750   6.651   0.293
   91   2HG   ARG  11          1HG       ARG  11  -5.317   6.018   1.871
   92   1HD   ARG  11          2HD       ARG  11  -7.347   7.193   2.266
   93   2HD   ARG  11          1HD       ARG  11  -6.129   8.346   2.789
   94    HE   ARG  11           HE       ARG  11  -6.395   9.341   0.390
   95   1HH1  ARG  11          2HH1      ARG  11  -8.486   7.098  -0.078
   96   2HH1  ARG  11          1HH1      ARG  11  -9.930   8.050  -0.015
   97   1HH2  ARG  11          1HH2      ARG  11  -8.331  10.780   1.478
   98   2HH2  ARG  11          2HH2      ARG  11  -9.848  10.174   0.905
   99    H    SER  12           H        SER  12  -2.137   7.871  -1.525
  100    HA   SER  12           HA       SER  12   0.203   9.263  -0.269
  101   1HB   SER  12          2HB       SER  12   0.202   7.717  -2.927
  102   2HB   SER  12          1HB       SER  12   1.568   8.609  -2.289
  103    HG   SER  12           HG       SER  12   0.656   6.152  -1.602
  104    H    ALA  13           H        ALA  13   0.748  11.284  -1.483
  105    HA   ALA  13           HA       ALA  13  -1.634  12.280  -3.029
  106   1HB   ALA  13          1HB       ALA  13   0.602  13.811  -1.640
  107   2HB   ALA  13          2HB       ALA  13  -1.015  13.552  -0.999
  108   3HB   ALA  13          3HB       ALA  13  -0.788  14.534  -2.439
  109    H    ASP  14           H        ASP  14   0.690  10.627  -3.892
  110    HA   ASP  14           HA       ASP  14   1.347  12.083  -6.378
  111   1HB   ASP  14          1HB       ASP  14   3.153  12.630  -4.836
  112   2HB   ASP  14          2HB       ASP  14   3.308  10.953  -4.323
  113    H    SER  15           H        SER  15   2.481  10.417  -7.928
  114    HA   SER  15           HA       SER  15   1.303   7.692  -7.479
  115   1HB   SER  15          2HB       SER  15  -0.091   9.061  -9.048
  116   2HB   SER  15          1HB       SER  15   1.298   9.229 -10.133
  117    HG   SER  15           HG       SER  15   0.965   7.266 -10.763
  118    H    SER  16           H        SER  16   3.916   8.369  -6.924
  119    HA   SER  16           HA       SER  16   5.458   6.593  -8.765
  120   1HB   SER  16          2HB       SER  16   6.150   9.074  -9.078
  121   2HB   SER  16          1HB       SER  16   6.607   9.104  -7.365
  122    HG   SER  16           HG       SER  16   8.321   8.036  -7.873
  123    H    ASN  17           H        ASN  17   5.223   8.302  -5.752
  124    HA   ASN  17           HA       ASN  17   6.785   6.573  -4.101
  125   1HB   ASN  17          1HB       ASN  17   6.023   8.917  -3.470
  126   2HB   ASN  17          2HB       ASN  17   4.393   8.298  -3.263
  127   1HD2  ASN  17          1HD2      ASN  17   7.326   8.844  -1.647
  128   2HD2  ASN  17          2HD2      ASN  17   7.033   7.887  -0.273
  129    H    LEU  18           H        LEU  18   3.399   6.576  -5.065
  130    HA   LEU  18           HA       LEU  18   2.523   4.486  -3.317
  131   1HB   LEU  18          1HB       LEU  18   1.021   6.058  -4.701
  132   2HB   LEU  18          2HB       LEU  18   1.478   5.128  -6.125
  133    HG   LEU  18           HG       LEU  18   0.440   3.060  -5.108
  134   1HD1  LEU  18          1HD1      LEU  18   0.711   3.696  -2.677
  135   2HD1  LEU  18          2HD1      LEU  18  -0.949   3.310  -3.059
  136   3HD1  LEU  18          3HD1      LEU  18  -0.453   4.985  -2.901
  137   1HD2  LEU  18          1HD2      LEU  18  -1.391   5.496  -5.187
  138   2HD2  LEU  18          2HD2      LEU  18  -1.888   3.822  -5.350
  139   3HD2  LEU  18          3HD2      LEU  18  -0.881   4.559  -6.583
  140    H    LYS  19           H        LYS  19   3.962   4.469  -6.543
  141    HA   LYS  19           HA       LYS  19   3.699   1.653  -7.015
  142   1HB   LYS  19          1HB       LYS  19   6.080   3.421  -7.886
  143   2HB   LYS  19          2HB       LYS  19   5.557   1.942  -8.651
  144   1HG   LYS  19          2HG       LYS  19   3.882   4.485  -8.551
  145   2HG   LYS  19          1HG       LYS  19   4.862   3.987  -9.911
  146   1HD   LYS  19          2HD       LYS  19   3.526   1.870 -10.100
  147   2HD   LYS  19          1HD       LYS  19   2.517   2.390  -8.762
  148   1HE   LYS  19          2HE       LYS  19   2.837   3.929 -11.372
  149   2HE   LYS  19          1HE       LYS  19   1.480   2.882 -10.988
  150   1HZ   LYS  19          1HZ       LYS  19   0.535   4.546  -9.939
  151   2HZ   LYS  19          2HZ       LYS  19   1.846   5.559 -10.301
  152   3HZ   LYS  19          3HZ       LYS  19   1.841   4.665  -8.863
  153    H    THR  20           H        THR  20   6.348   3.547  -5.664
  154    HA   THR  20           HA       THR  20   8.121   1.539  -4.867
  155    HB   THR  20           HB       THR  20   7.389   4.059  -3.246
  156    HG1  THR  20           HG1      THR  20   8.365   3.607  -5.718
  157   1HG2  THR  20          1HG2      THR  20   9.752   3.946  -2.564
  158   2HG2  THR  20          2HG2      THR  20  10.030   2.525  -3.559
  159   3HG2  THR  20          3HG2      THR  20   9.014   2.416  -2.127
  160    H    HIS  21           H        HIS  21   5.530   2.905  -2.860
  161    HA   HIS  21           HA       HIS  21   5.501   1.262  -0.673
  162   1HB   HIS  21          1HB       HIS  21   3.853   2.934  -0.642
  163   2HB   HIS  21          2HB       HIS  21   3.249   2.565  -2.240
  164    HD1  HIS  21           HD1      HIS  21   3.177   1.070   1.211
  165    HD2  HIS  21           HD2      HIS  21   1.155   0.808  -2.326
  166    HE1  HIS  21           HE1      HIS  21   1.201  -0.363   1.633
  167    H    ILE  22           H        ILE  22   3.788   0.524  -3.748
  168    HA   ILE  22           HA       ILE  22   2.936  -2.051  -2.964
  169    HB   ILE  22           HB       ILE  22   3.618  -0.983  -5.763
  170   1HG1  ILE  22          2HG1      ILE  22   0.913  -1.424  -4.418
  171   2HG1  ILE  22          1HG1      ILE  22   1.733   0.104  -4.318
  172   1HG2  ILE  22          1HG2      ILE  22   2.030  -3.477  -4.977
  173   2HG2  ILE  22          2HG2      ILE  22   3.623  -3.499  -5.720
  174   3HG2  ILE  22          3HG2      ILE  22   2.253  -2.884  -6.614
  175   1HD1  ILE  22          1HD1      ILE  22   1.707   0.226  -6.853
  176   2HD1  ILE  22          2HD1      ILE  22   0.091   0.126  -6.179
  177   3HD1  ILE  22          3HD1      ILE  22   0.828  -1.291  -6.894
  178    H    LYS  23           H        LYS  23   5.889  -1.164  -4.752
  179    HA   LYS  23           HA       LYS  23   6.911  -3.916  -4.483
  180   1HB   LYS  23          1HB       LYS  23   8.872  -3.087  -5.740
  181   2HB   LYS  23          2HB       LYS  23   7.363  -2.703  -6.535
  182   1HG   LYS  23          2HG       LYS  23   7.480  -0.383  -5.704
  183   2HG   LYS  23          1HG       LYS  23   8.975  -0.736  -4.852
  184   1HD   LYS  23          2HD       LYS  23  10.063  -1.317  -7.009
  185   2HD   LYS  23          1HD       LYS  23   8.570  -1.008  -7.870
  186   1HE   LYS  23          2HE       LYS  23  10.142   1.092  -6.314
  187   2HE   LYS  23          1HE       LYS  23  10.151   0.898  -8.058
  188   1HZ   LYS  23          1HZ       LYS  23   8.363   2.125  -8.195
  189   2HZ   LYS  23          2HZ       LYS  23   8.387   2.365  -6.519
  190   3HZ   LYS  23          3HZ       LYS  23   7.491   1.078  -7.179
  191    H    THR  24           H        THR  24   6.502  -2.133  -2.093
  192    HA   THR  24           HA       THR  24   9.190  -2.481  -0.828
  193    HB   THR  24           HB       THR  24   7.194  -0.183  -0.419
  194    HG1  THR  24           HG1      THR  24   8.515   0.628  -1.835
  195   1HG2  THR  24          1HG2      THR  24   9.932  -0.692   0.880
  196   2HG2  THR  24          2HG2      THR  24   8.418  -0.880   1.747
  197   3HG2  THR  24          3HG2      THR  24   8.896   0.700   1.161
  198    H    LYS  25           H        LYS  25   5.727  -2.277  -0.201
  199    HA   LYS  25           HA       LYS  25   5.982  -3.870   2.279
  200   1HB   LYS  25          1HB       LYS  25   3.852  -1.983   1.229
  201   2HB   LYS  25          2HB       LYS  25   3.507  -3.083   2.556
  202   1HG   LYS  25          2HG       LYS  25   5.788  -1.074   2.610
  203   2HG   LYS  25          1HG       LYS  25   4.201  -0.777   3.294
  204   1HD   LYS  25          2HD       LYS  25   4.495  -2.889   4.718
  205   2HD   LYS  25          1HD       LYS  25   6.153  -2.974   4.158
  206   1HE   LYS  25          2HE       LYS  25   4.958  -0.622   5.660
  207   2HE   LYS  25          1HE       LYS  25   6.009  -1.843   6.357
  208   1HZ   LYS  25          1HZ       LYS  25   6.729   0.477   5.019
  209   2HZ   LYS  25          2HZ       LYS  25   7.234  -0.829   4.055
  210   3HZ   LYS  25          3HZ       LYS  25   7.741  -0.721   5.673
  211    H    HIS  26           H        HIS  26   4.164  -3.834  -0.795
  212    HA   HIS  26           HA       HIS  26   2.801  -6.334  -0.058
  213   1HB   HIS  26          1HB       HIS  26   2.914  -4.756  -2.685
  214   2HB   HIS  26          2HB       HIS  26   1.989  -6.225  -2.500
  215    HD1  HIS  26           HD1      HIS  26   0.454  -5.971  -0.099
  216    HD2  HIS  26           HD2      HIS  26   1.277  -2.553  -2.180
  217    HE1  HIS  26           HE1      HIS  26  -1.198  -4.291   0.634
  218    H    SER  27           H        SER  27   5.189  -5.370  -2.362
  219    HA   SER  27           HA       SER  27   6.277  -7.054  -3.885
  220   1HB   SER  27          2HB       SER  27   7.681  -5.283  -2.831
  221   2HB   SER  27          1HB       SER  27   7.957  -6.324  -1.434
  222    HG   SER  27           HG       SER  27   8.383  -7.660  -3.751
  223    H    LYS  28           H        LYS  28   5.373  -9.086  -3.881
  224    HA   LYS  28           HA       LYS  28   6.373 -11.026  -1.837
  225   1HB   LYS  28          1HB       LYS  28   3.859 -10.703  -2.150
  226   2HB   LYS  28          2HB       LYS  28   4.034 -11.298  -3.784
  227   1HG   LYS  28          2HG       LYS  28   3.245 -13.087  -2.297
  228   2HG   LYS  28          1HG       LYS  28   4.827 -13.503  -2.908
  229   1HD   LYS  28          2HD       LYS  28   5.883 -12.795  -0.793
  230   2HD   LYS  28          1HD       LYS  28   4.365 -12.142  -0.200
  231   1HE   LYS  28          2HE       LYS  28   3.413 -14.470  -0.263
  232   2HE   LYS  28          1HE       LYS  28   4.988 -15.076  -0.761
  233   1HZ   LYS  28          1HZ       LYS  28   5.617 -15.088   1.338
  234   2HZ   LYS  28          2HZ       LYS  28   4.085 -14.527   1.811
  235   3HZ   LYS  28          3HZ       LYS  28   5.324 -13.419   1.468
  236    H    GLU  29           H        GLU  29   6.669 -13.258  -2.785
  237    HA   GLU  29           HA       GLU  29   8.176 -13.072  -5.364
  238   1HB   GLU  29          1HB       GLU  29   9.544 -13.454  -3.313
  239   2HB   GLU  29          2HB       GLU  29   8.611 -14.889  -2.955
  240   1HG   GLU  29          2HG       GLU  29  10.786 -15.437  -4.032
  241   2HG   GLU  29          1HG       GLU  29   9.442 -16.007  -4.997
  242    H    LYS  30           H        LYS  30   8.088 -14.797  -6.763
  243    HA   LYS  30           HA       LYS  30   5.846 -16.747  -6.446
  244   1HB   LYS  30          1HB       LYS  30   5.244 -14.804  -7.937
  245   2HB   LYS  30          2HB       LYS  30   6.623 -15.192  -8.949
  246   1HG   LYS  30          2HG       LYS  30   5.633 -17.375  -9.532
  247   2HG   LYS  30          1HG       LYS  30   4.321 -17.121  -8.401
  248   1HD   LYS  30          2HD       LYS  30   3.548 -16.622 -10.680
  249   2HD   LYS  30          1HD       LYS  30   3.561 -15.147  -9.743
  250   1HE   LYS  30          2HE       LYS  30   5.685 -14.448 -10.780
  251   2HE   LYS  30          1HE       LYS  30   5.799 -15.979 -11.642
  252   1HZ   LYS  30          1HZ       LYS  30   3.299 -14.836 -12.156
  253   2HZ   LYS  30          2HZ       LYS  30   4.578 -15.118 -13.236
  254   3HZ   LYS  30          3HZ       LYS  30   4.484 -13.646 -12.400
  Start of MODEL   11
    1   1H    LYS   1          1H        LYS   1  -4.930  16.424  -4.548
    2   2H    LYS   1          2H        LYS   1  -6.581  16.808  -4.649
    3   3H    LYS   1          3H        LYS   1  -5.586  16.973  -6.016
    4    HA   LYS   1           HA       LYS   1  -7.064  14.749  -5.181
    5   1HB   LYS   1          2HB       LYS   1  -5.056  15.150  -7.435
    6   2HB   LYS   1          1HB       LYS   1  -6.192  13.814  -7.358
    7   1HG   LYS   1          2HG       LYS   1  -8.098  15.386  -7.396
    8   2HG   LYS   1          1HG       LYS   1  -7.016  16.758  -7.417
    9   1HD   LYS   1          2HD       LYS   1  -7.196  14.616  -9.590
   10   2HD   LYS   1          1HD       LYS   1  -7.913  16.207  -9.687
   11   1HE   LYS   1          2HE       LYS   1  -4.918  15.605  -9.539
   12   2HE   LYS   1          1HE       LYS   1  -5.804  16.206 -10.927
   13   1HZ   LYS   1          1HZ       LYS   1  -6.334  17.909  -8.786
   14   2HZ   LYS   1          2HZ       LYS   1  -5.481  18.238 -10.216
   15   3HZ   LYS   1          3HZ       LYS   1  -4.655  17.663  -8.848
   16    H    THR   2           H        THR   2  -6.473  12.664  -4.809
   17    HA   THR   2           HA       THR   2  -3.640  12.094  -4.045
   18    HB   THR   2           HB       THR   2  -4.661  10.623  -2.156
   19    HG1  THR   2           HG1      THR   2  -6.824  11.411  -3.501
   20   1HG2  THR   2          1HG2      THR   2  -3.804  12.954  -1.627
   21   2HG2  THR   2          2HG2      THR   2  -5.178  12.496  -0.635
   22   3HG2  THR   2          3HG2      THR   2  -5.402  13.587  -1.994
   23    H    TYR   3           H        TYR   3  -3.361   9.750  -3.749
   24    HA   TYR   3           HA       TYR   3  -4.866   8.134  -5.779
   25   1HB   TYR   3          1HB       TYR   3  -1.827   8.174  -5.341
   26   2HB   TYR   3          2HB       TYR   3  -2.673   7.135  -6.476
   27    HD1  TYR   3           HD1      TYR   3  -0.984  10.205  -6.188
   28    HD2  TYR   3           HD2      TYR   3  -4.355   8.464  -8.116
   29    HE1  TYR   3           HE1      TYR   3  -0.963  12.000  -7.872
   30    HE2  TYR   3           HE2      TYR   3  -4.330  10.254  -9.784
   31    HH   TYR   3           HH       TYR   3  -3.405  12.166 -10.426
   32    H    GLN   4           H        GLN   4  -5.324   6.114  -5.137
   33    HA   GLN   4           HA       GLN   4  -4.504   5.296  -2.385
   34   1HB   GLN   4          1HB       GLN   4  -6.822   5.719  -2.315
   35   2HB   GLN   4          2HB       GLN   4  -7.098   5.137  -3.938
   36   1HG   GLN   4          2HG       GLN   4  -8.068   3.629  -2.217
   37   2HG   GLN   4          1HG       GLN   4  -6.870   2.804  -3.190
   38   1HE2  GLN   4          2HE2      GLN   4  -5.490   1.590  -2.022
   39   2HE2  GLN   4          1HE2      GLN   4  -5.040   1.845  -0.409
   40    H    CYS   5           H        CYS   5  -3.529   3.339  -2.122
   41    HA   CYS   5           HA       CYS   5  -2.233   1.998  -4.154
   42   1HB   CYS   5          1HB       CYS   5  -1.777   1.789  -1.761
   43   2HB   CYS   5          2HB       CYS   5  -3.262   0.872  -1.538
   44    H    GLN   6           H        GLN   6  -2.464  -0.122  -5.011
   45    HA   GLN   6           HA       GLN   6  -5.323  -0.883  -5.534
   46   1HB   GLN   6          1HB       GLN   6  -2.897  -1.362  -7.336
   47   2HB   GLN   6          2HB       GLN   6  -4.575  -1.573  -7.784
   48   1HG   GLN   6          2HG       GLN   6  -3.249   1.105  -7.105
   49   2HG   GLN   6          1HG       GLN   6  -3.644   0.548  -8.711
   50   1HE2  GLN   6          1HE2      GLN   6  -6.277  -0.529  -7.043
   51   2HE2  GLN   6          2HE2      GLN   6  -7.262   0.850  -7.148
   52    H    TYR   7           H        TYR   7  -3.830  -1.637  -3.357
   53    HA   TYR   7           HA       TYR   7  -3.935  -4.578  -3.559
   54   1HB   TYR   7          1HB       TYR   7  -1.513  -2.925  -2.801
   55   2HB   TYR   7          2HB       TYR   7  -1.742  -4.487  -2.036
   56    HD1  TYR   7           HD1      TYR   7  -2.148  -6.504  -3.565
   57    HD2  TYR   7           HD2      TYR   7  -0.548  -2.827  -5.001
   58    HE1  TYR   7           HE1      TYR   7  -1.262  -7.661  -5.528
   59    HE2  TYR   7           HE2      TYR   7   0.338  -3.989  -6.971
   60    HH   TYR   7           HH       TYR   7   0.604  -5.939  -8.008
   61    H    CYS   8           H        CYS   8  -3.177  -1.916  -1.408
   62    HA   CYS   8           HA       CYS   8  -4.978  -3.066   0.693
   63   1HB   CYS   8          1HB       CYS   8  -3.454  -2.267   2.348
   64   2HB   CYS   8          2HB       CYS   8  -2.454  -2.932   1.081
   65    H    GLU   9           H        GLU   9  -4.826  -0.819   2.326
   66    HA   GLU   9           HA       GLU   9  -6.489   1.145   0.825
   67   1HB   GLU   9          1HB       GLU   9  -7.629  -0.241   2.615
   68   2HB   GLU   9          2HB       GLU   9  -6.529   0.456   3.802
   69   1HG   GLU   9          2HG       GLU   9  -8.590   1.660   3.977
   70   2HG   GLU   9          1HG       GLU   9  -7.486   2.755   3.189
   71    H1   HAC  10           H1       HAC  10  -0.974   4.485   2.384
   72   1H2   HAC  10          1H2       HAC  10   0.233   4.581   0.173
   73   2H2   HAC  10          2H2       HAC  10   1.077   3.112   0.587
   74   1H3   HAC  10          1H3       HAC  10   1.237   5.736   2.137
   75   2H3   HAC  10          2H3       HAC  10   2.476   5.110   1.066
   76   1H4   HAC  10          1H4       HAC  10   2.755   3.130   2.530
   77   2H4   HAC  10          2H4       HAC  10   2.994   4.598   3.458
   78   1H5   HAC  10          1H5       HAC  10   1.549   3.001   4.691
   79   2H5   HAC  10          2H5       HAC  10   0.669   4.474   4.320
   80   1H6   HAC  10          1H6       HAC  10   0.517   1.861   2.773
   81   2H6   HAC  10          2H6       HAC  10  -0.731   2.502   3.819
   82   1H7   HAC  10          1H7       HAC  10  -1.396   2.840   0.139
   83   2H7   HAC  10          2H7       HAC  10  -1.527   1.716   1.426
   84    H8   HAC  10           H8       HAC  10  -3.004   3.566   2.604
   85   1HN8  HAC  10          1HN8      HAC  10  -3.890   1.609   0.517
   86    H    ARG  11           H        ARG  11  -2.656   5.725   2.061
   87    HA   ARG  11           HA       ARG  11  -3.476   6.604  -0.677
   88   1HB   ARG  11          1HB       ARG  11  -4.742   8.464   0.215
   89   2HB   ARG  11          2HB       ARG  11  -5.359   6.997   0.924
   90   1HG   ARG  11          2HG       ARG  11  -3.435   8.889   2.360
   91   2HG   ARG  11          1HG       ARG  11  -5.169   8.932   2.514
   92   1HD   ARG  11          2HD       ARG  11  -5.212   6.673   3.468
   93   2HD   ARG  11          1HD       ARG  11  -3.471   6.519   3.286
   94    HE   ARG  11           HE       ARG  11  -4.723   8.580   5.032
   95   1HH1  ARG  11          1HH2      ARG  11  -1.726   8.257   4.022
   96   2HH1  ARG  11          2HH2      ARG  11  -1.012   7.709   5.500
   97   1HH2  ARG  11          1HH1      ARG  11  -4.107   6.982   6.976
   98   2HH2  ARG  11          2HH1      ARG  11  -2.392   6.943   7.209
   99    H    SER  12           H        SER  12  -2.250   7.965  -1.594
  100    HA   SER  12           HA       SER  12  -0.190   9.516  -0.092
  101   1HB   SER  12          2HB       SER  12   0.352   8.164  -2.785
  102   2HB   SER  12          1HB       SER  12   1.473   8.988  -1.709
  103    HG   SER  12           HG       SER  12   1.713   7.171  -0.732
  104    H    ALA  13           H        ALA  13   0.913  10.941  -1.963
  105    HA   ALA  13           HA       ALA  13  -1.305  12.583  -3.059
  106   1HB   ALA  13          1HB       ALA  13   0.224  13.698  -1.508
  107   2HB   ALA  13          2HB       ALA  13   0.393  14.394  -3.113
  108   3HB   ALA  13          3HB       ALA  13   1.599  13.265  -2.511
  109    H    ASP  14           H        ASP  14   1.723  11.026  -4.093
  110    HA   ASP  14           HA       ASP  14   0.852  11.513  -6.921
  111   1HB   ASP  14          1HB       ASP  14   2.745  13.039  -6.126
  112   2HB   ASP  14          2HB       ASP  14   3.747  11.599  -6.031
  113    H    SER  15           H        SER  15   1.008   9.900  -8.305
  114    HA   SER  15           HA       SER  15   0.985   7.238  -7.627
  115   1HB   SER  15          2HB       SER  15   1.618   6.824 -10.091
  116   2HB   SER  15          1HB       SER  15   0.384   8.081  -9.906
  117    HG   SER  15           HG       SER  15   1.764   9.436 -10.679
  118    H    SER  16           H        SER  16   3.864   8.934  -8.712
  119    HA   SER  16           HA       SER  16   5.837   7.088  -8.849
  120   1HB   SER  16          2HB       SER  16   6.057   9.775  -7.408
  121   2HB   SER  16          1HB       SER  16   7.406   8.875  -8.128
  122    HG   SER  16           HG       SER  16   5.232  10.118  -9.298
  123    H    ASN  17           H        ASN  17   4.810   8.495  -5.762
  124    HA   ASN  17           HA       ASN  17   6.585   6.741  -4.242
  125   1HB   ASN  17          1HB       ASN  17   5.444   7.831  -2.253
  126   2HB   ASN  17          2HB       ASN  17   6.175   8.972  -3.370
  127   1HD2  ASN  17          2HD2      ASN  17   4.845  10.689  -3.883
  128   2HD2  ASN  17          1HD2      ASN  17   3.150  10.657  -3.847
  129    H    LEU  18           H        LEU  18   3.092   6.845  -4.944
  130    HA   LEU  18           HA       LEU  18   2.333   4.788  -3.149
  131   1HB   LEU  18          1HB       LEU  18   0.786   6.268  -4.625
  132   2HB   LEU  18          2HB       LEU  18   1.220   5.241  -5.989
  133    HG   LEU  18           HG       LEU  18   0.196   3.270  -4.833
  134   1HD1  LEU  18          1HD1      LEU  18  -1.160   3.668  -2.774
  135   2HD1  LEU  18          2HD1      LEU  18  -0.622   5.334  -2.721
  136   3HD1  LEU  18          3HD1      LEU  18   0.518   4.024  -2.451
  137   1HD2  LEU  18          1HD2      LEU  18  -1.622   5.707  -4.994
  138   2HD2  LEU  18          2HD2      LEU  18  -2.142   4.035  -5.066
  139   3HD2  LEU  18          3HD2      LEU  18  -1.168   4.696  -6.359
  140    H    LYS  19           H        LYS  19   3.641   4.612  -6.377
  141    HA   LYS  19           HA       LYS  19   3.550   1.780  -6.689
  142   1HB   LYS  19          1HB       LYS  19   4.112   3.380  -8.560
  143   2HB   LYS  19          2HB       LYS  19   5.601   3.813  -7.747
  144   1HG   LYS  19          2HG       LYS  19   6.370   1.416  -7.948
  145   2HG   LYS  19          1HG       LYS  19   4.898   1.050  -8.833
  146   1HD   LYS  19          2HD       LYS  19   5.521   2.718 -10.571
  147   2HD   LYS  19          1HD       LYS  19   6.976   3.120  -9.678
  148   1HE   LYS  19          2HE       LYS  19   6.343   0.362 -10.815
  149   2HE   LYS  19          1HE       LYS  19   7.453   1.521 -11.526
  150   1HZ   LYS  19          1HZ       LYS  19   7.961  -0.350  -9.530
  151   2HZ   LYS  19          2HZ       LYS  19   8.150   1.191  -8.842
  152   3HZ   LYS  19          3HZ       LYS  19   9.033   0.770 -10.226
  153    H    THR  20           H        THR  20   6.235   3.869  -5.592
  154    HA   THR  20           HA       THR  20   8.097   1.978  -4.808
  155    HB   THR  20           HB       THR  20   7.349   4.549  -3.250
  156    HG1  THR  20           HG1      THR  20   7.781   4.966  -5.407
  157   1HG2  THR  20          1HG2      THR  20  10.029   3.087  -3.614
  158   2HG2  THR  20          2HG2      THR  20   9.099   2.975  -2.127
  159   3HG2  THR  20          3HG2      THR  20   9.752   4.521  -2.639
  160    H    HIS  21           H        HIS  21   5.396   3.190  -2.843
  161    HA   HIS  21           HA       HIS  21   5.676   1.628  -0.553
  162   1HB   HIS  21          1HB       HIS  21   3.966   3.235  -0.422
  163   2HB   HIS  21          2HB       HIS  21   3.308   2.867  -1.998
  164    HD1  HIS  21           HD1      HIS  21   3.296   1.430   1.474
  165    HD2  HIS  21           HD2      HIS  21   1.279   1.029  -2.055
  166    HE1  HIS  21           HE1      HIS  21   1.340  -0.022   1.931
  167    H    ILE  22           H        ILE  22   3.609   0.780  -3.372
  168    HA   ILE  22           HA       ILE  22   2.985  -1.860  -2.640
  169    HB   ILE  22           HB       ILE  22   3.495  -0.687  -5.427
  170   1HG1  ILE  22          2HG1      ILE  22   0.915  -1.079  -3.838
  171   2HG1  ILE  22          1HG1      ILE  22   1.730   0.449  -4.054
  172   1HG2  ILE  22          1HG2      ILE  22   3.559  -3.191  -5.496
  173   2HG2  ILE  22          2HG2      ILE  22   2.136  -2.577  -6.302
  174   3HG2  ILE  22          3HG2      ILE  22   2.005  -3.250  -4.685
  175   1HD1  ILE  22          1HD1      ILE  22   1.362   0.289  -6.518
  176   2HD1  ILE  22          2HD1      ILE  22  -0.145   0.267  -5.620
  177   3HD1  ILE  22          3HD1      ILE  22   0.495  -1.220  -6.286
  178    H    LYS  23           H        LYS  23   5.603  -0.897  -4.710
  179    HA   LYS  23           HA       LYS  23   6.963  -3.109  -5.365
  180   1HB   LYS  23          1HB       LYS  23   7.492  -0.580  -5.714
  181   2HB   LYS  23          2HB       LYS  23   8.463  -0.712  -4.264
  182   1HG   LYS  23          2HG       LYS  23   9.964  -1.042  -6.101
  183   2HG   LYS  23          1HG       LYS  23   9.704  -2.605  -5.343
  184   1HD   LYS  23          2HD       LYS  23   8.186  -3.335  -7.066
  185   2HD   LYS  23          1HD       LYS  23   8.083  -1.721  -7.747
  186   1HE   LYS  23          2HE       LYS  23   9.559  -3.241  -9.073
  187   2HE   LYS  23          1HE       LYS  23  10.420  -1.835  -8.476
  188   1HZ   LYS  23          1HZ       LYS  23  10.982  -4.539  -8.043
  189   2HZ   LYS  23          2HZ       LYS  23  10.632  -3.834  -6.537
  190   3HZ   LYS  23          3HZ       LYS  23  11.847  -3.179  -7.514
  191    H    THR  24           H        THR  24   7.117  -1.733  -2.145
  192    HA   THR  24           HA       THR  24   8.848  -4.001  -1.253
  193    HB   THR  24           HB       THR  24   9.813  -1.692  -0.989
  194    HG1  THR  24           HG1      THR  24  10.682  -2.707   0.630
  195   1HG2  THR  24          1HG2      THR  24   7.646  -1.352   1.132
  196   2HG2  THR  24          2HG2      THR  24   7.660  -0.473  -0.391
  197   3HG2  THR  24          3HG2      THR  24   8.948  -0.234   0.776
  198    H    LYS  25           H        LYS  25   5.826  -2.381  -0.407
  199    HA   LYS  25           HA       LYS  25   5.476  -3.970   2.018
  200   1HB   LYS  25          1HB       LYS  25   3.520  -2.111   0.613
  201   2HB   LYS  25          2HB       LYS  25   3.364  -2.736   2.252
  202   1HG   LYS  25          2HG       LYS  25   5.533  -0.847   1.253
  203   2HG   LYS  25          1HG       LYS  25   4.198  -0.440   2.299
  204   1HD   LYS  25          2HD       LYS  25   5.084  -2.079   4.015
  205   2HD   LYS  25          1HD       LYS  25   6.477  -2.341   2.980
  206   1HE   LYS  25          2HE       LYS  25   7.141   0.000   3.139
  207   2HE   LYS  25          1HE       LYS  25   5.690   0.391   4.055
  208   1HZ   LYS  25          1HZ       LYS  25   6.732  -0.162   5.884
  209   2HZ   LYS  25          2HZ       LYS  25   8.135  -0.530   5.006
  210   3HZ   LYS  25          3HZ       LYS  25   6.984  -1.740   5.315
  211    H    HIS  26           H        HIS  26   4.443  -4.239  -1.276
  212    HA   HIS  26           HA       HIS  26   2.644  -6.505  -0.565
  213   1HB   HIS  26          1HB       HIS  26   2.669  -4.600  -2.949
  214   2HB   HIS  26          2HB       HIS  26   1.576  -5.958  -2.832
  215    HD1  HIS  26           HD1      HIS  26   0.607  -5.762  -0.012
  216    HD2  HIS  26           HD2      HIS  26   1.158  -2.383  -2.236
  217    HE1  HIS  26           HE1      HIS  26  -0.777  -3.996   1.040
  218    H    SER  27           H        SER  27   5.133  -5.313  -2.621
  219    HA   SER  27           HA       SER  27   5.795  -8.055  -3.598
  220   1HB   SER  27          2HB       SER  27   5.347  -6.247  -5.339
  221   2HB   SER  27          1HB       SER  27   6.693  -5.315  -4.693
  222    HG   SER  27           HG       SER  27   7.409  -7.893  -5.073
  223    H    LYS  28           H        LYS  28   8.473  -7.655  -4.069
  224    HA   LYS  28           HA       LYS  28   9.599  -7.050  -1.352
  225   1HB   LYS  28          1HB       LYS  28   9.462  -9.500  -1.993
  226   2HB   LYS  28          2HB       LYS  28  10.537  -9.165  -3.323
  227   1HG   LYS  28          2HG       LYS  28  11.804 -10.123  -1.466
  228   2HG   LYS  28          1HG       LYS  28  12.343  -8.492  -1.753
  229   1HD   LYS  28          2HD       LYS  28  12.136  -8.867   0.659
  230   2HD   LYS  28          1HD       LYS  28  10.901  -7.721   0.190
  231   1HE   LYS  28          2HE       LYS  28   9.195  -9.512   0.184
  232   2HE   LYS  28          1HE       LYS  28  10.429 -10.719   0.519
  233   1HZ   LYS  28          1HZ       LYS  28  10.633  -8.684   2.427
  234   2HZ   LYS  28          2HZ       LYS  28  10.197 -10.308   2.648
  235   3HZ   LYS  28          3HZ       LYS  28   9.002  -9.146   2.316
  236    H    GLU  29           H        GLU  29  11.847  -6.554  -1.285
  237    HA   GLU  29           HA       GLU  29  12.934  -5.142  -3.669
  238   1HB   GLU  29          1HB       GLU  29  12.773  -4.162  -0.783
  239   2HB   GLU  29          2HB       GLU  29  13.779  -3.366  -1.964
  240   1HG   GLU  29          2HG       GLU  29  10.766  -3.682  -2.244
  241   2HG   GLU  29          1HG       GLU  29  11.596  -2.275  -1.608
  242    H    LYS  30           H        LYS  30  15.198  -4.265  -2.940
  243    HA   LYS  30           HA       LYS  30  16.800  -6.650  -2.112
  244   1HB   LYS  30          1HB       LYS  30  18.555  -5.750  -3.614
  245   2HB   LYS  30          2HB       LYS  30  17.076  -6.027  -4.498
  246   1HG   LYS  30          2HG       LYS  30  17.074  -3.292  -3.430
  247   2HG   LYS  30          1HG       LYS  30  18.578  -3.582  -4.265
  248   1HD   LYS  30          2HD       LYS  30  17.079  -2.717  -5.918
  249   2HD   LYS  30          1HD       LYS  30  17.212  -4.428  -6.253
  250   1HE   LYS  30          2HE       LYS  30  14.860  -3.709  -6.407
  251   2HE   LYS  30          1HE       LYS  30  15.035  -4.821  -5.064
  252   1HZ   LYS  30          1HZ       LYS  30  14.261  -3.275  -3.730
  253   2HZ   LYS  30          2HZ       LYS  30  14.076  -2.211  -5.034
  254   3HZ   LYS  30          3HZ       LYS  30  15.521  -2.214  -4.143
  Start of MODEL   12
    1   1H    LYS   1          1H        LYS   1  -8.465  13.232  -8.220
    2   2H    LYS   1          2H        LYS   1  -9.139  13.722  -6.740
    3   3H    LYS   1          3H        LYS   1  -8.114  12.370  -6.800
    4    HA   LYS   1           HA       LYS   1  -6.727  14.511  -7.913
    5   1HB   LYS   1          2HB       LYS   1  -8.374  15.920  -6.575
    6   2HB   LYS   1          1HB       LYS   1  -7.838  15.079  -5.131
    7   1HG   LYS   1          2HG       LYS   1  -5.460  15.879  -5.653
    8   2HG   LYS   1          1HG       LYS   1  -6.128  16.809  -6.977
    9   1HD   LYS   1          2HD       LYS   1  -5.848  18.265  -5.029
   10   2HD   LYS   1          1HD       LYS   1  -7.557  18.073  -5.358
   11   1HE   LYS   1          2HE       LYS   1  -7.015  17.862  -2.920
   12   2HE   LYS   1          1HE       LYS   1  -7.737  16.383  -3.518
   13   1HZ   LYS   1          1HZ       LYS   1  -4.945  16.286  -3.882
   14   2HZ   LYS   1          2HZ       LYS   1  -5.920  15.284  -2.928
   15   3HZ   LYS   1          3HZ       LYS   1  -5.280  16.714  -2.276
   16    H    THR   2           H        THR   2  -7.425  12.772  -4.921
   17    HA   THR   2           HA       THR   2  -4.534  12.327  -4.408
   18    HB   THR   2           HB       THR   2  -6.921  11.294  -2.790
   19    HG1  THR   2           HG1      THR   2  -6.100  13.819  -3.230
   20   1HG2  THR   2          1HG2      THR   2  -5.305  11.508  -0.890
   21   2HG2  THR   2          2HG2      THR   2  -4.079  12.134  -1.982
   22   3HG2  THR   2          3HG2      THR   2  -4.613  10.460  -2.113
   23    H    TYR   3           H        TYR   3  -3.932  10.020  -3.867
   24    HA   TYR   3           HA       TYR   3  -5.330   8.075  -5.659
   25   1HB   TYR   3          1HB       TYR   3  -2.324   8.104  -5.087
   26   2HB   TYR   3          2HB       TYR   3  -3.176   7.142  -6.283
   27    HD1  TYR   3           HD1      TYR   3  -2.325  10.657  -5.368
   28    HD2  TYR   3           HD2      TYR   3  -3.501   8.002  -8.488
   29    HE1  TYR   3           HE1      TYR   3  -1.973  12.437  -7.014
   30    HE2  TYR   3           HE2      TYR   3  -3.144   9.785 -10.131
   31    HH   TYR   3           HH       TYR   3  -2.352  13.074  -9.140
   32    H    GLN   4           H        GLN   4  -5.361   5.967  -4.987
   33    HA   GLN   4           HA       GLN   4  -4.752   5.420  -2.110
   34   1HB   GLN   4          1HB       GLN   4  -7.239   5.622  -2.846
   35   2HB   GLN   4          2HB       GLN   4  -6.976   4.176  -3.785
   36   1HG   GLN   4          2HG       GLN   4  -7.945   3.388  -1.770
   37   2HG   GLN   4          1HG       GLN   4  -6.241   3.045  -1.557
   38   1HE2  GLN   4          1HE2      GLN   4  -5.611   3.587   0.517
   39   2HE2  GLN   4          2HE2      GLN   4  -6.173   4.920   1.409
   40    H    CYS   5           H        CYS   5  -4.289   2.844  -1.849
   41    HA   CYS   5           HA       CYS   5  -2.539   2.104  -4.103
   42   1HB   CYS   5          1HB       CYS   5  -1.842   1.579  -1.825
   43   2HB   CYS   5          2HB       CYS   5  -3.290   0.620  -1.567
   44    H    GLN   6           H        GLN   6  -2.692  -0.108  -5.018
   45    HA   GLN   6           HA       GLN   6  -5.541  -0.749  -5.685
   46   1HB   GLN   6          1HB       GLN   6  -3.439  -0.076  -7.363
   47   2HB   GLN   6          2HB       GLN   6  -3.354  -1.819  -7.421
   48   1HG   GLN   6          2HG       GLN   6  -5.806  -0.125  -8.068
   49   2HG   GLN   6          1HG       GLN   6  -4.773  -0.926  -9.233
   50   1HE2  GLN   6          2HE2      GLN   6  -5.281  -3.042  -9.773
   51   2HE2  GLN   6          1HE2      GLN   6  -6.459  -3.982  -8.992
   52    H    TYR   7           H        TYR   7  -3.851  -1.691  -3.430
   53    HA   TYR   7           HA       TYR   7  -4.458  -4.583  -3.662
   54   1HB   TYR   7          1HB       TYR   7  -1.786  -3.386  -2.772
   55   2HB   TYR   7          2HB       TYR   7  -2.257  -5.035  -2.387
   56    HD1  TYR   7           HD1      TYR   7  -3.403  -6.165  -4.750
   57    HD2  TYR   7           HD2      TYR   7  -0.190  -3.377  -4.493
   58    HE1  TYR   7           HE1      TYR   7  -2.555  -6.942  -6.905
   59    HE2  TYR   7           HE2      TYR   7   0.652  -4.168  -6.659
   60    HH   TYR   7           HH       TYR   7   0.465  -5.689  -8.267
   61    H    CYS   8           H        CYS   8  -3.330  -1.977  -1.627
   62    HA   CYS   8           HA       CYS   8  -5.062  -2.933   0.627
   63   1HB   CYS   8          1HB       CYS   8  -3.407  -2.144   2.157
   64   2HB   CYS   8          2HB       CYS   8  -2.514  -2.915   0.872
   65    H    GLU   9           H        GLU   9  -4.807  -0.702   2.152
   66    HA   GLU   9           HA       GLU   9  -6.270   1.388   0.583
   67   1HB   GLU   9          1HB       GLU   9  -7.670   0.146   2.308
   68   2HB   GLU   9          2HB       GLU   9  -6.541   0.663   3.555
   69   1HG   GLU   9          2HG       GLU   9  -8.524   2.089   3.587
   70   2HG   GLU   9          1HG       GLU   9  -7.151   3.056   3.127
   71    H1   HAC  10           H1       HAC  10  -0.619   4.483   1.840
   72   1H2   HAC  10          1H2       HAC  10   0.081   4.463  -0.591
   73   2H2   HAC  10          2H2       HAC  10   1.152   3.128  -0.243
   74   1H3   HAC  10          1H3       HAC  10   1.439   6.009   0.414
   75   2H3   HAC  10          2H3       HAC  10   2.664   4.813   0.052
   76   1H4   HAC  10          1H4       HAC  10   3.098   5.263   2.311
   77   2H4   HAC  10          2H4       HAC  10   1.409   5.474   2.716
   78   1H5   HAC  10          1H5       HAC  10   2.725   2.813   2.014
   79   2H5   HAC  10          2H5       HAC  10   2.329   3.336   3.636
   80   1H6   HAC  10          1H6       HAC  10   0.636   1.790   2.225
   81   2H6   HAC  10          2H6       HAC  10   0.078   2.955   3.398
   82   1H7   HAC  10          1H7       HAC  10  -1.391   2.742  -0.242
   83   2H7   HAC  10          2H7       HAC  10  -1.285   1.678   1.106
   84    H8   HAC  10           H8       HAC  10  -2.628   3.434   2.451
   85   1HN8  HAC  10          1HN8      HAC  10  -3.757   1.707   0.286
   86    H    ARG  11           H        ARG  11  -2.120   5.644   1.979
   87    HA   ARG  11           HA       ARG  11  -3.475   6.740  -0.449
   88   1HB   ARG  11          1HB       ARG  11  -4.516   7.120   1.945
   89   2HB   ARG  11          2HB       ARG  11  -3.228   8.282   2.142
   90   1HG   ARG  11          2HG       ARG  11  -5.042   9.564   1.297
   91   2HG   ARG  11          1HG       ARG  11  -4.025   9.315  -0.111
   92   1HD   ARG  11          2HD       ARG  11  -5.488   7.291  -0.702
   93   2HD   ARG  11          1HD       ARG  11  -6.503   7.709   0.669
   94    HE   ARG  11           HE       ARG  11  -6.113   9.464  -1.728
   95   1HH1  ARG  11          2HH2      ARG  11  -8.383   7.577  -0.283
   96   2HH1  ARG  11          1HH2      ARG  11  -9.599   8.801  -0.108
   97   1HH2  ARG  11          1HH1      ARG  11  -7.424  11.390  -1.025
   98   2HH2  ARG  11          2HH1      ARG  11  -9.027  11.002  -0.512
   99    H    SER  12           H        SER  12  -2.493   8.151  -1.623
  100    HA   SER  12           HA       SER  12   0.020   9.501  -0.781
  101   1HB   SER  12          2HB       SER  12  -0.272   7.921  -3.397
  102   2HB   SER  12          1HB       SER  12   1.127   8.877  -2.947
  103    HG   SER  12           HG       SER  12   0.455   7.242  -0.912
  104    H    ALA  13           H        ALA  13   0.574  11.245  -2.345
  105    HA   ALA  13           HA       ALA  13  -1.903  12.383  -3.603
  106   1HB   ALA  13          1HB       ALA  13  -1.213  13.611  -1.577
  107   2HB   ALA  13          2HB       ALA  13  -1.002  14.607  -3.003
  108   3HB   ALA  13          3HB       ALA  13   0.393  13.845  -2.254
  109    H    ASP  14           H        ASP  14   0.876  10.962  -4.444
  110    HA   ASP  14           HA       ASP  14   1.187  12.670  -6.884
  111   1HB   ASP  14          1HB       ASP  14   3.127  12.923  -5.356
  112   2HB   ASP  14          2HB       ASP  14   3.392  11.185  -5.389
  113    H    SER  15           H        SER  15   2.096   9.527  -5.680
  114    HA   SER  15           HA       SER  15   1.062   7.452  -6.581
  115   1HB   SER  15          2HB       SER  15   1.806   8.723  -9.293
  116   2HB   SER  15          1HB       SER  15   1.367   7.024  -9.090
  117    HG   SER  15           HG       SER  15  -0.620   7.614  -8.978
  118    H    SER  16           H        SER  16   4.016   9.206  -7.522
  119    HA   SER  16           HA       SER  16   5.770   7.088  -8.143
  120   1HB   SER  16          2HB       SER  16   7.606   8.509  -7.287
  121   2HB   SER  16          1HB       SER  16   6.435   9.538  -8.119
  122    HG   SER  16           HG       SER  16   6.166  10.512  -6.312
  123    H    ASN  17           H        ASN  17   5.045   8.407  -4.989
  124    HA   ASN  17           HA       ASN  17   6.450   6.587  -3.359
  125   1HB   ASN  17          1HB       ASN  17   5.534   8.719  -2.511
  126   2HB   ASN  17          2HB       ASN  17   3.892   8.140  -2.758
  127   1HD2  ASN  17          2HD2      ASN  17   2.944   7.098  -0.963
  128   2HD2  ASN  17          1HD2      ASN  17   3.832   6.512   0.354
  129    H    LEU  18           H        LEU  18   3.226   6.436  -4.705
  130    HA   LEU  18           HA       LEU  18   2.315   4.167  -3.247
  131   1HB   LEU  18          1HB       LEU  18   0.971   5.898  -4.683
  132   2HB   LEU  18          2HB       LEU  18   1.475   4.949  -6.077
  133    HG   LEU  18           HG       LEU  18   0.369   2.930  -5.068
  134   1HD1  LEU  18          1HD1      LEU  18   0.412   3.680  -2.665
  135   2HD1  LEU  18          2HD1      LEU  18  -1.225   3.349  -3.169
  136   3HD1  LEU  18          3HD1      LEU  18  -0.670   5.001  -3.068
  137   1HD2  LEU  18          1HD2      LEU  18  -1.895   3.696  -5.642
  138   2HD2  LEU  18          2HD2      LEU  18  -0.745   4.405  -6.752
  139   3HD2  LEU  18          3HD2      LEU  18  -1.414   5.376  -5.453
  140    H    LYS  19           H        LYS  19   3.849   4.419  -6.409
  141    HA   LYS  19           HA       LYS  19   3.804   1.577  -6.930
  142   1HB   LYS  19          1HB       LYS  19   5.707   3.763  -7.897
  143   2HB   LYS  19          2HB       LYS  19   5.749   2.122  -8.522
  144   1HG   LYS  19          2HG       LYS  19   3.342   2.354  -9.220
  145   2HG   LYS  19          1HG       LYS  19   3.357   4.017  -8.672
  146   1HD   LYS  19          2HD       LYS  19   5.255   2.918 -10.792
  147   2HD   LYS  19          1HD       LYS  19   3.745   3.717 -11.171
  148   1HE   LYS  19          2HE       LYS  19   6.038   5.012  -9.617
  149   2HE   LYS  19          1HE       LYS  19   5.659   5.294 -11.308
  150   1HZ   LYS  19          1HZ       LYS  19   3.306   5.641  -9.853
  151   2HZ   LYS  19          2HZ       LYS  19   4.210   6.808 -10.690
  152   3HZ   LYS  19          3HZ       LYS  19   4.519   6.496  -9.052
  153    H    THR  20           H        THR  20   6.364   3.689  -5.687
  154    HA   THR  20           HA       THR  20   8.309   1.773  -5.056
  155    HB   THR  20           HB       THR  20   7.604   4.300  -3.424
  156    HG1  THR  20           HG1      THR  20   8.501   3.843  -5.937
  157   1HG2  THR  20          1HG2      THR  20  10.038   4.246  -2.878
  158   2HG2  THR  20          2HG2      THR  20  10.277   2.821  -3.874
  159   3HG2  THR  20          3HG2      THR  20   9.357   2.707  -2.384
  160    H    HIS  21           H        HIS  21   5.490   2.819  -3.265
  161    HA   HIS  21           HA       HIS  21   5.831   1.395  -0.865
  162   1HB   HIS  21          1HB       HIS  21   4.112   2.978  -0.752
  163   2HB   HIS  21          2HB       HIS  21   3.503   2.641  -2.352
  164    HD1  HIS  21           HD1      HIS  21   3.326   1.206   1.091
  165    HD2  HIS  21           HD2      HIS  21   1.425   0.841  -2.503
  166    HE1  HIS  21           HE1      HIS  21   1.312  -0.184   1.488
  167    H    ILE  22           H        ILE  22   3.748   0.487  -3.667
  168    HA   ILE  22           HA       ILE  22   3.136  -2.099  -2.881
  169    HB   ILE  22           HB       ILE  22   3.848  -1.177  -5.721
  170   1HG1  ILE  22          2HG1      ILE  22   1.112  -1.496  -4.387
  171   2HG1  ILE  22          1HG1      ILE  22   1.935   0.036  -4.536
  172   1HG2  ILE  22          1HG2      ILE  22   2.549  -3.175  -6.496
  173   2HG2  ILE  22          2HG2      ILE  22   2.314  -3.673  -4.828
  174   3HG2  ILE  22          3HG2      ILE  22   3.915  -3.675  -5.536
  175   1HD1  ILE  22          1HD1      ILE  22   1.040  -1.732  -6.859
  176   2HD1  ILE  22          2HD1      ILE  22   1.893  -0.207  -7.034
  177   3HD1  ILE  22          3HD1      ILE  22   0.278  -0.244  -6.344
  178    H    LYS  23           H        LYS  23   5.805  -1.255  -4.932
  179    HA   LYS  23           HA       LYS  23   7.208  -3.506  -5.350
  180   1HB   LYS  23          1HB       LYS  23   7.731  -0.906  -5.805
  181   2HB   LYS  23          2HB       LYS  23   8.793  -1.107  -4.439
  182   1HG   LYS  23          2HG       LYS  23  10.309  -1.796  -6.015
  183   2HG   LYS  23          1HG       LYS  23   9.506  -3.339  -5.854
  184   1HD   LYS  23          2HD       LYS  23   8.979  -1.214  -7.987
  185   2HD   LYS  23          1HD       LYS  23   9.682  -2.796  -8.233
  186   1HE   LYS  23          2HE       LYS  23   7.493  -3.853  -7.572
  187   2HE   LYS  23          1HE       LYS  23   6.799  -2.238  -7.421
  188   1HZ   LYS  23          1HZ       LYS  23   6.423  -2.227  -9.558
  189   2HZ   LYS  23          2HZ       LYS  23   7.106  -3.774  -9.721
  190   3HZ   LYS  23          3HZ       LYS  23   8.079  -2.394  -9.889
  191    H    THR  24           H        THR  24   7.210  -1.832  -2.293
  192    HA   THR  24           HA       THR  24   9.065  -3.848  -1.132
  193    HB   THR  24           HB       THR  24   8.368  -1.093  -0.032
  194    HG1  THR  24           HG1      THR  24   9.296  -0.753  -1.890
  195   1HG2  THR  24          1HG2      THR  24   9.540  -2.749   1.561
  196   2HG2  THR  24          2HG2      THR  24  10.541  -1.374   1.131
  197   3HG2  THR  24          3HG2      THR  24  10.806  -2.926   0.354
  198    H    LYS  25           H        LYS  25   5.958  -2.325  -0.350
  199    HA   LYS  25           HA       LYS  25   5.671  -3.859   2.120
  200   1HB   LYS  25          1HB       LYS  25   3.782  -1.925   0.721
  201   2HB   LYS  25          2HB       LYS  25   3.408  -2.725   2.242
  202   1HG   LYS  25          2HG       LYS  25   4.195  -0.603   2.891
  203   2HG   LYS  25          1HG       LYS  25   5.549  -1.671   3.187
  204   1HD   LYS  25          2HD       LYS  25   6.617  -0.940   1.076
  205   2HD   LYS  25          1HD       LYS  25   5.208   0.043   0.706
  206   1HE   LYS  25          2HE       LYS  25   5.657   1.453   2.690
  207   2HE   LYS  25          1HE       LYS  25   7.023   0.429   3.120
  208   1HZ   LYS  25          1HZ       LYS  25   7.317   1.200   0.454
  209   2HZ   LYS  25          2HZ       LYS  25   8.282   1.612   1.788
  210   3HZ   LYS  25          3HZ       LYS  25   6.958   2.589   1.365
  211    H    HIS  26           H        HIS  26   4.613  -4.275  -1.166
  212    HA   HIS  26           HA       HIS  26   2.781  -6.471  -0.317
  213   1HB   HIS  26          1HB       HIS  26   2.896  -4.810  -2.884
  214   2HB   HIS  26          2HB       HIS  26   1.857  -6.209  -2.694
  215    HD1  HIS  26           HD1      HIS  26   0.603  -5.832  -0.070
  216    HD2  HIS  26           HD2      HIS  26   1.311  -2.564  -2.414
  217    HE1  HIS  26           HE1      HIS  26  -0.914  -4.050   0.736
  218    H    SER  27           H        SER  27   5.337  -5.494  -2.396
  219    HA   SER  27           HA       SER  27   6.573  -6.777  -4.018
  220   1HB   SER  27          2HB       SER  27   8.465  -7.750  -2.605
  221   2HB   SER  27          1HB       SER  27   7.971  -6.146  -2.058
  222    HG   SER  27           HG       SER  27   7.801  -8.494  -0.780
  223    H    LYS  28           H        LYS  28   4.496  -8.048  -4.410
  224    HA   LYS  28           HA       LYS  28   4.929 -10.976  -3.993
  225   1HB   LYS  28          1HB       LYS  28   2.750 -10.008  -3.139
  226   2HB   LYS  28          2HB       LYS  28   2.404  -9.437  -4.760
  227   1HG   LYS  28          2HG       LYS  28   2.486 -11.831  -5.581
  228   2HG   LYS  28          1HG       LYS  28   2.798 -12.344  -3.938
  229   1HD   LYS  28          2HD       LYS  28   0.411 -12.635  -4.540
  230   2HD   LYS  28          1HD       LYS  28   0.613 -11.553  -3.184
  231   1HE   LYS  28          2HE       LYS  28  -1.077 -10.759  -4.881
  232   2HE   LYS  28          1HE       LYS  28   0.206  -9.597  -4.603
  233   1HZ   LYS  28          1HZ       LYS  28   1.006 -11.319  -6.656
  234   2HZ   LYS  28          2HZ       LYS  28   0.665  -9.658  -6.704
  235   3HZ   LYS  28          3HZ       LYS  28  -0.571 -10.783  -7.003
  236    H    GLU  29           H        GLU  29   4.321  -8.378  -6.131
  237    HA   GLU  29           HA       GLU  29   4.920 -10.026  -8.551
  238   1HB   GLU  29          1HB       GLU  29   3.743  -8.182  -9.815
  239   2HB   GLU  29          2HB       GLU  29   2.679  -9.045  -8.737
  240   1HG   GLU  29          2HG       GLU  29   3.976  -6.340  -8.055
  241   2HG   GLU  29          1HG       GLU  29   2.376  -6.516  -8.735
  242    H    LYS  30           H        LYS  30   6.630  -9.486  -9.685
  243    HA   LYS  30           HA       LYS  30   8.157  -6.992  -9.070
  244   1HB   LYS  30          1HB       LYS  30   9.182  -9.842  -9.410
  245   2HB   LYS  30          2HB       LYS  30  10.243  -8.448  -9.391
  246   1HG   LYS  30          2HG       LYS  30   8.319  -9.108  -7.111
  247   2HG   LYS  30          1HG       LYS  30   9.975  -9.680  -7.156
  248   1HD   LYS  30          2HD       LYS  30  10.811  -7.340  -7.235
  249   2HD   LYS  30          1HD       LYS  30   9.165  -6.734  -7.227
  250   1HE   LYS  30          2HE       LYS  30   8.757  -7.627  -5.008
  251   2HE   LYS  30          1HE       LYS  30  10.300  -8.474  -5.005
  252   1HZ   LYS  30          1HZ       LYS  30  10.809  -5.810  -5.599
  253   2HZ   LYS  30          2HZ       LYS  30  11.247  -6.685  -4.213
  254   3HZ   LYS  30          3HZ       LYS  30   9.785  -5.816  -4.258
  Start of MODEL   13
    1   1H    LYS   1          1H        LYS   1  -8.264  15.667  -2.327
    2   2H    LYS   1          2H        LYS   1  -7.823  14.065  -1.976
    3   3H    LYS   1          3H        LYS   1  -9.143  14.374  -2.996
    4    HA   LYS   1           HA       LYS   1  -7.839  14.322  -4.744
    5   1HB   LYS   1          2HB       LYS   1  -7.581  16.786  -4.330
    6   2HB   LYS   1          1HB       LYS   1  -6.203  16.478  -3.297
    7   1HG   LYS   1          2HG       LYS   1  -5.491  15.118  -5.671
    8   2HG   LYS   1          1HG       LYS   1  -6.429  16.455  -6.271
    9   1HD   LYS   1          2HD       LYS   1  -4.983  18.103  -5.421
   10   2HD   LYS   1          1HD       LYS   1  -4.287  17.029  -4.221
   11   1HE   LYS   1          2HE       LYS   1  -3.857  16.735  -7.222
   12   2HE   LYS   1          1HE       LYS   1  -2.698  17.427  -6.092
   13   1HZ   LYS   1          1HZ       LYS   1  -3.130  14.745  -6.700
   14   2HZ   LYS   1          2HZ       LYS   1  -3.556  14.970  -5.078
   15   3HZ   LYS   1          3HZ       LYS   1  -2.006  15.391  -5.611
   16    H    THR   2           H        THR   2  -7.401  12.239  -3.288
   17    HA   THR   2           HA       THR   2  -4.425  11.910  -3.091
   18    HB   THR   2           HB       THR   2  -5.463  11.740  -0.867
   19    HG1  THR   2           HG1      THR   2  -4.064  10.266  -0.589
   20   1HG2  THR   2          1HG2      THR   2  -7.781  10.802  -1.620
   21   2HG2  THR   2          2HG2      THR   2  -7.042   9.810  -0.373
   22   3HG2  THR   2          3HG2      THR   2  -6.967   9.307  -2.046
   23    H    TYR   3           H        TYR   3  -3.813   9.751  -3.225
   24    HA   TYR   3           HA       TYR   3  -5.207   8.200  -5.404
   25   1HB   TYR   3          1HB       TYR   3  -2.176   8.473  -4.957
   26   2HB   TYR   3          2HB       TYR   3  -2.942   7.654  -6.306
   27    HD1  TYR   3           HD1      TYR   3  -2.342  10.970  -4.750
   28    HD2  TYR   3           HD2      TYR   3  -3.891   8.943  -8.162
   29    HE1  TYR   3           HE1      TYR   3  -2.472  13.086  -5.950
   30    HE2  TYR   3           HE2      TYR   3  -4.020  11.074  -9.363
   31    HH   TYR   3           HH       TYR   3  -3.664  14.095  -7.825
   32    H    GLN   4           H        GLN   4  -5.615   6.119  -4.816
   33    HA   GLN   4           HA       GLN   4  -4.534   5.205  -2.193
   34   1HB   GLN   4          1HB       GLN   4  -7.017   4.309  -3.722
   35   2HB   GLN   4          2HB       GLN   4  -6.512   3.634  -2.191
   36   1HG   GLN   4          2HG       GLN   4  -7.154   6.599  -2.601
   37   2HG   GLN   4          1HG       GLN   4  -8.306   5.422  -2.009
   38   1HE2  GLN   4          1HE2      GLN   4  -5.647   4.222  -0.570
   39   2HE2  GLN   4          2HE2      GLN   4  -5.615   5.156   0.843
   40    H    CYS   5           H        CYS   5  -3.904   2.950  -1.941
   41    HA   CYS   5           HA       CYS   5  -2.235   2.016  -4.041
   42   1HB   CYS   5          1HB       CYS   5  -1.928   1.578  -1.649
   43   2HB   CYS   5          2HB       CYS   5  -3.349   0.543  -1.654
   44    H    GLN   6           H        GLN   6  -2.289  -0.175  -4.884
   45    HA   GLN   6           HA       GLN   6  -4.946  -0.821  -6.101
   46   1HB   GLN   6          1HB       GLN   6  -2.137  -1.584  -7.007
   47   2HB   GLN   6          2HB       GLN   6  -3.614  -1.896  -7.898
   48   1HG   GLN   6          2HG       GLN   6  -4.023   0.587  -8.045
   49   2HG   GLN   6          1HG       GLN   6  -2.500   0.869  -7.213
   50   1HE2  GLN   6          2HE2      GLN   6  -0.792   1.253  -8.605
   51   2HE2  GLN   6          1HE2      GLN   6  -0.677   0.679 -10.199
   52    H    TYR   7           H        TYR   7  -3.129  -1.751  -3.626
   53    HA   TYR   7           HA       TYR   7  -3.919  -4.631  -3.762
   54   1HB   TYR   7          1HB       TYR   7  -1.451  -3.356  -2.517
   55   2HB   TYR   7          2HB       TYR   7  -1.940  -5.012  -2.186
   56    HD1  TYR   7           HD1      TYR   7  -1.353  -2.785  -5.183
   57    HD2  TYR   7           HD2      TYR   7  -0.945  -6.665  -3.471
   58    HE1  TYR   7           HE1      TYR   7  -0.201  -3.554  -7.194
   59    HE2  TYR   7           HE2      TYR   7   0.216  -7.429  -5.484
   60    HH   TYR   7           HH       TYR   7   0.807  -6.921  -7.589
   61    H    CYS   8           H        CYS   8  -3.073  -2.014  -1.579
   62    HA   CYS   8           HA       CYS   8  -5.109  -2.956   0.411
   63   1HB   CYS   8          1HB       CYS   8  -3.657  -2.203   2.149
   64   2HB   CYS   8          2HB       CYS   8  -2.598  -2.929   0.968
   65    H    GLU   9           H        GLU   9  -4.949  -0.642   1.964
   66    HA   GLU   9           HA       GLU   9  -6.296   1.387   0.212
   67   1HB   GLU   9          1HB       GLU   9  -7.786   0.135   1.885
   68   2HB   GLU   9          2HB       GLU   9  -6.839   0.853   3.178
   69   1HG   GLU   9          2HG       GLU   9  -7.440   3.169   2.152
   70   2HG   GLU   9          1HG       GLU   9  -8.538   2.301   1.101
   71    H1   HAC  10           H1       HAC  10  -0.832   4.412   2.312
   72   1H2   HAC  10          1H2       HAC  10   0.196   4.560  -0.011
   73   2H2   HAC  10          2H2       HAC  10   1.266   3.245   0.429
   74   1H3   HAC  10          1H3       HAC  10   1.285   6.097   1.322
   75   2H3   HAC  10          2H3       HAC  10   2.629   5.035   0.972
   76   1H4   HAC  10          1H4       HAC  10   2.849   5.197   3.282
   77   2H4   HAC  10          2H4       HAC  10   1.132   5.399   3.557
   78   1H5   HAC  10          1H5       HAC  10   2.533   2.788   2.807
   79   2H5   HAC  10          2H5       HAC  10   1.917   3.195   4.392
   80   1H6   HAC  10          1H6       HAC  10   0.471   1.727   2.653
   81   2H6   HAC  10          2H6       HAC  10  -0.265   2.766   3.842
   82   1H7   HAC  10          1H7       HAC  10  -1.217   2.711   0.040
   83   2H7   HAC  10          2H7       HAC  10  -1.378   1.661   1.402
   84    H8   HAC  10           H8       HAC  10  -2.883   3.478   2.470
   85   1HN8  HAC  10          1HN8      HAC  10  -3.698   1.662   0.236
   86    H    ARG  11           H        ARG  11  -2.756   5.644   2.162
   87    HA   ARG  11           HA       ARG  11  -3.449   6.662  -0.558
   88   1HB   ARG  11          1HB       ARG  11  -4.686   8.405   0.491
   89   2HB   ARG  11          2HB       ARG  11  -5.140   6.904   1.256
   90   1HG   ARG  11          2HG       ARG  11  -3.435   7.448   3.093
   91   2HG   ARG  11          1HG       ARG  11  -3.410   9.071   2.423
   92   1HD   ARG  11          2HD       ARG  11  -5.761   7.607   3.670
   93   2HD   ARG  11          1HD       ARG  11  -5.120   9.188   4.091
   94    HE   ARG  11           HE       ARG  11  -6.647   8.585   1.592
   95   1HH1  ARG  11          2HH2      ARG  11  -7.684  10.101   4.104
   96   2HH1  ARG  11          1HH2      ARG  11  -7.633  11.731   3.509
   97   1HH2  ARG  11          2HH1      ARG  11  -5.636  10.886   0.767
   98   2HH2  ARG  11          1HH1      ARG  11  -6.424  12.196   1.588
   99    H    SER  12           H        SER  12  -2.225   7.916  -1.525
  100    HA   SER  12           HA       SER  12   0.031   9.382  -0.211
  101   1HB   SER  12          2HB       SER  12   0.017   7.996  -2.944
  102   2HB   SER  12          1HB       SER  12   1.370   8.889  -2.283
  103    HG   SER  12           HG       SER  12   1.835   7.164  -1.173
  104    H    ALA  13           H        ALA  13   0.824  11.120  -1.763
  105    HA   ALA  13           HA       ALA  13  -1.518  12.666  -2.790
  106   1HB   ALA  13          1HB       ALA  13   1.245  13.585  -1.885
  107   2HB   ALA  13          2HB       ALA  13  -0.233  13.692  -0.940
  108   3HB   ALA  13          3HB       ALA  13  -0.061  14.644  -2.403
  109    H    ASP  14           H        ASP  14   1.190  10.958  -3.704
  110    HA   ASP  14           HA       ASP  14   1.175  12.025  -6.495
  111   1HB   ASP  14          1HB       ASP  14   3.205  12.796  -5.365
  112   2HB   ASP  14          2HB       ASP  14   3.497  11.197  -4.692
  113    H    SER  15           H        SER  15   2.357  10.187  -7.894
  114    HA   SER  15           HA       SER  15   0.987   7.604  -7.247
  115   1HB   SER  15          2HB       SER  15   1.811   8.805  -9.942
  116   2HB   SER  15          1HB       SER  15   1.029   7.224  -9.735
  117    HG   SER  15           HG       SER  15  -0.061   9.669  -9.662
  118    H    SER  16           H        SER  16   3.958   8.823  -8.817
  119    HA   SER  16           HA       SER  16   5.426   6.499  -9.121
  120   1HB   SER  16          2HB       SER  16   6.273   8.777  -9.746
  121   2HB   SER  16          1HB       SER  16   6.537   9.148  -8.034
  122    HG   SER  16           HG       SER  16   8.314   8.075  -8.207
  123    H    ASN  17           H        ASN  17   5.128   8.400  -6.207
  124    HA   ASN  17           HA       ASN  17   6.736   6.789  -4.476
  125   1HB   ASN  17          1HB       ASN  17   4.454   8.739  -3.928
  126   2HB   ASN  17          2HB       ASN  17   5.434   8.035  -2.645
  127   1HD2  ASN  17          1HD2      ASN  17   5.244  10.698  -4.715
  128   2HD2  ASN  17          2HD2      ASN  17   6.860  11.202  -4.623
  129    H    LEU  18           H        LEU  18   3.214   6.783  -5.061
  130    HA   LEU  18           HA       LEU  18   2.531   4.751  -3.213
  131   1HB   LEU  18          1HB       LEU  18   0.880   6.170  -4.521
  132   2HB   LEU  18          2HB       LEU  18   1.300   5.277  -5.980
  133    HG   LEU  18           HG       LEU  18   0.478   3.150  -4.829
  134   1HD1  LEU  18          1HD1      LEU  18  -0.587   5.142  -2.771
  135   2HD1  LEU  18          2HD1      LEU  18   0.678   3.959  -2.464
  136   3HD1  LEU  18          3HD1      LEU  18  -0.947   3.429  -2.833
  137   1HD2  LEU  18          1HD2      LEU  18  -1.874   3.710  -5.188
  138   2HD2  LEU  18          2HD2      LEU  18  -0.894   4.428  -6.442
  139   3HD2  LEU  18          3HD2      LEU  18  -1.516   5.429  -5.132
  140    H    LYS  19           H        LYS  19   3.634   4.543  -6.518
  141    HA   LYS  19           HA       LYS  19   3.482   1.711  -6.844
  142   1HB   LYS  19          1HB       LYS  19   4.067   3.509  -8.648
  143   2HB   LYS  19          2HB       LYS  19   5.694   3.524  -7.999
  144   1HG   LYS  19          2HG       LYS  19   5.782   1.005  -8.393
  145   2HG   LYS  19          1HG       LYS  19   4.256   1.151  -9.240
  146   1HD   LYS  19          2HD       LYS  19   6.902   2.464 -10.000
  147   2HD   LYS  19          1HD       LYS  19   6.098   1.171 -10.861
  148   1HE   LYS  19          2HE       LYS  19   5.045   4.018 -10.584
  149   2HE   LYS  19          1HE       LYS  19   5.715   3.290 -12.032
  150   1HZ   LYS  19          1HZ       LYS  19   3.745   2.521 -12.534
  151   2HZ   LYS  19          2HZ       LYS  19   3.087   3.206 -11.127
  152   3HZ   LYS  19          3HZ       LYS  19   3.686   1.618 -11.097
  153    H    THR  20           H        THR  20   6.207   3.731  -5.812
  154    HA   THR  20           HA       THR  20   8.075   1.782  -5.126
  155    HB   THR  20           HB       THR  20   7.458   4.324  -3.467
  156    HG1  THR  20           HG1      THR  20   7.725   4.613  -5.747
  157   1HG2  THR  20          1HG2      THR  20   9.870   4.243  -2.996
  158   2HG2  THR  20          2HG2      THR  20  10.080   2.842  -4.037
  159   3HG2  THR  20          3HG2      THR  20   9.217   2.685  -2.516
  160    H    HIS  21           H        HIS  21   5.540   3.110  -3.029
  161    HA   HIS  21           HA       HIS  21   5.776   1.528  -0.762
  162   1HB   HIS  21          1HB       HIS  21   4.076   3.115  -0.533
  163   2HB   HIS  21          2HB       HIS  21   3.366   2.833  -2.104
  164    HD1  HIS  21           HD1      HIS  21   3.438   1.304   1.313
  165    HD2  HIS  21           HD2      HIS  21   1.272   0.974  -2.134
  166    HE1  HIS  21           HE1      HIS  21   1.496  -0.138   1.834
  167    H    ILE  22           H        ILE  22   3.649   0.698  -3.536
  168    HA   ILE  22           HA       ILE  22   2.924  -1.890  -2.746
  169    HB   ILE  22           HB       ILE  22   3.518  -0.864  -5.569
  170   1HG1  ILE  22          2HG1      ILE  22   0.851  -1.230  -4.140
  171   2HG1  ILE  22          1HG1      ILE  22   1.719   0.286  -4.100
  172   1HG2  ILE  22          1HG2      ILE  22   1.938  -3.346  -4.719
  173   2HG2  ILE  22          2HG2      ILE  22   3.494  -3.377  -5.533
  174   3HG2  ILE  22          3HG2      ILE  22   2.092  -2.756  -6.364
  175   1HD1  ILE  22          1HD1      ILE  22   0.026   0.311  -5.894
  176   2HD1  ILE  22          2HD1      ILE  22   0.715  -1.131  -6.614
  177   3HD1  ILE  22          3HD1      ILE  22   1.628   0.367  -6.604
  178    H    LYS  23           H        LYS  23   5.725  -1.132  -4.736
  179    HA   LYS  23           HA       LYS  23   6.723  -3.709  -5.006
  180   1HB   LYS  23          1HB       LYS  23   7.612  -1.611  -6.139
  181   2HB   LYS  23          2HB       LYS  23   8.470  -1.222  -4.661
  182   1HG   LYS  23          2HG       LYS  23  10.021  -2.366  -6.154
  183   2HG   LYS  23          1HG       LYS  23   9.684  -3.462  -4.841
  184   1HD   LYS  23          2HD       LYS  23   7.785  -4.428  -6.471
  185   2HD   LYS  23          1HD       LYS  23   8.630  -3.520  -7.697
  186   1HE   LYS  23          2HE       LYS  23   9.386  -5.860  -7.653
  187   2HE   LYS  23          1HE       LYS  23  10.713  -4.806  -7.187
  188   1HZ   LYS  23          1HZ       LYS  23  10.872  -5.913  -5.310
  189   2HZ   LYS  23          2HZ       LYS  23   9.570  -6.909  -5.756
  190   3HZ   LYS  23          3HZ       LYS  23   9.291  -5.489  -4.871
  191    H    THR  24           H        THR  24   7.108  -1.744  -2.135
  192    HA   THR  24           HA       THR  24   8.888  -3.813  -0.925
  193    HB   THR  24           HB       THR  24   9.830  -1.557  -0.848
  194    HG1  THR  24           HG1      THR  24   9.177  -1.570   1.739
  195   1HG2  THR  24          1HG2      THR  24   7.339  -0.768   0.777
  196   2HG2  THR  24          2HG2      THR  24   7.646  -0.235  -0.864
  197   3HG2  THR  24          3HG2      THR  24   8.722   0.255   0.427
  198    H    LYS  25           H        LYS  25   5.814  -2.226  -0.291
  199    HA   LYS  25           HA       LYS  25   5.439  -3.586   2.261
  200   1HB   LYS  25          1HB       LYS  25   3.803  -1.639   0.609
  201   2HB   LYS  25          2HB       LYS  25   3.048  -2.475   1.958
  202   1HG   LYS  25          2HG       LYS  25   5.575  -0.802   2.218
  203   2HG   LYS  25          1HG       LYS  25   3.955  -0.213   2.539
  204   1HD   LYS  25          2HD       LYS  25   3.621  -1.993   4.248
  205   2HD   LYS  25          1HD       LYS  25   5.260  -2.564   3.999
  206   1HE   LYS  25          2HE       LYS  25   6.127  -0.319   4.669
  207   2HE   LYS  25          1HE       LYS  25   4.473   0.189   5.003
  208   1HZ   LYS  25          1HZ       LYS  25   6.210  -1.222   6.650
  209   2HZ   LYS  25          2HZ       LYS  25   4.920  -2.261   6.274
  210   3HZ   LYS  25          3HZ       LYS  25   4.614  -0.739   6.969
  211    H    HIS  26           H        HIS  26   4.488  -4.099  -1.034
  212    HA   HIS  26           HA       HIS  26   2.759  -6.367  -0.176
  213   1HB   HIS  26          1HB       HIS  26   2.760  -4.658  -2.698
  214   2HB   HIS  26          2HB       HIS  26   1.761  -6.070  -2.523
  215    HD1  HIS  26           HD1      HIS  26   0.563  -5.798   0.154
  216    HD2  HIS  26           HD2      HIS  26   1.220  -2.445  -2.094
  217    HE1  HIS  26           HE1      HIS  26  -0.930  -4.028   1.056
  218    H    SER  27           H        SER  27   4.770  -5.459  -2.840
  219    HA   SER  27           HA       SER  27   6.382  -6.563  -4.142
  220   1HB   SER  27          2HB       SER  27   6.633  -8.421  -1.687
  221   2HB   SER  27          1HB       SER  27   7.823  -8.218  -2.979
  222    HG   SER  27           HG       SER  27   7.290  -6.611  -0.871
  223    H    LYS  28           H        LYS  28   5.036  -9.219  -2.396
  224    HA   LYS  28           HA       LYS  28   3.993 -10.523  -4.878
  225   1HB   LYS  28          1HB       LYS  28   4.924 -11.780  -2.240
  226   2HB   LYS  28          2HB       LYS  28   4.350 -12.679  -3.630
  227   1HG   LYS  28          2HG       LYS  28   6.243 -11.758  -4.989
  228   2HG   LYS  28          1HG       LYS  28   6.831 -10.900  -3.577
  229   1HD   LYS  28          2HD       LYS  28   7.175 -13.029  -2.370
  230   2HD   LYS  28          1HD       LYS  28   6.547 -13.936  -3.736
  231   1HE   LYS  28          2HE       LYS  28   9.026 -12.151  -3.798
  232   2HE   LYS  28          1HE       LYS  28   9.035 -13.904  -3.767
  233   1HZ   LYS  28          1HZ       LYS  28   8.796 -12.210  -5.979
  234   2HZ   LYS  28          2HZ       LYS  28   7.370 -13.120  -5.853
  235   3HZ   LYS  28          3HZ       LYS  28   8.868 -13.906  -5.945
  236    H    GLU  29           H        GLU  29   2.106 -12.146  -3.932
  237    HA   GLU  29           HA       GLU  29   0.442 -10.475  -2.068
  238   1HB   GLU  29          1HB       GLU  29  -0.249 -10.395  -4.507
  239   2HB   GLU  29          2HB       GLU  29  -0.562 -12.117  -4.428
  240   1HG   GLU  29          2HG       GLU  29  -2.278 -11.751  -2.655
  241   2HG   GLU  29          1HG       GLU  29  -1.926 -10.032  -2.651
  242    H    LYS  30           H        LYS  30  -1.159 -11.632  -0.914
  243    HA   LYS  30           HA       LYS  30  -0.485 -14.495  -0.328
  244   1HB   LYS  30          1HB       LYS  30   0.317 -12.977   1.465
  245   2HB   LYS  30          2HB       LYS  30  -1.277 -12.258   1.572
  246   1HG   LYS  30          2HG       LYS  30  -2.218 -14.425   2.369
  247   2HG   LYS  30          1HG       LYS  30  -0.655 -15.192   2.171
  248   1HD   LYS  30          2HD       LYS  30  -1.054 -14.599   4.538
  249   2HD   LYS  30          1HD       LYS  30   0.315 -13.712   3.906
  250   1HE   LYS  30          2HE       LYS  30  -1.161 -11.701   3.581
  251   2HE   LYS  30          1HE       LYS  30  -2.524 -12.613   4.204
  252   1HZ   LYS  30          1HZ       LYS  30  -0.414 -12.842   6.015
  253   2HZ   LYS  30          2HZ       LYS  30  -1.906 -12.059   6.226
  254   3HZ   LYS  30          3HZ       LYS  30  -0.578 -11.200   5.605
  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1  -4.996  17.003  -4.060
    2   2H    LYS   1          2H        LYS   1  -4.753  15.696  -3.008
    3   3H    LYS   1          3H        LYS   1  -6.332  16.162  -3.434
    4    HA   LYS   1           HA       LYS   1  -6.306  14.765  -5.115
    5   1HB   LYS   1          2HB       LYS   1  -5.312  16.786  -6.325
    6   2HB   LYS   1          1HB       LYS   1  -3.718  16.117  -6.042
    7   1HG   LYS   1          2HG       LYS   1  -4.412  14.021  -7.265
    8   2HG   LYS   1          1HG       LYS   1  -5.985  14.745  -7.561
    9   1HD   LYS   1          2HD       LYS   1  -4.852  16.619  -8.800
   10   2HD   LYS   1          1HD       LYS   1  -3.306  15.821  -8.550
   11   1HE   LYS   1          2HE       LYS   1  -4.142  13.818  -9.791
   12   2HE   LYS   1          1HE       LYS   1  -5.675  14.631 -10.059
   13   1HZ   LYS   1          1HZ       LYS   1  -3.631  16.349 -10.867
   14   2HZ   LYS   1          2HZ       LYS   1  -4.835  15.606 -11.803
   15   3HZ   LYS   1          3HZ       LYS   1  -3.349  14.825 -11.558
   16    H    THR   2           H        THR   2  -5.957  13.017  -3.800
   17    HA   THR   2           HA       THR   2  -3.171  11.956  -3.589
   18    HB   THR   2           HB       THR   2  -4.145  10.483  -1.742
   19    HG1  THR   2           HG1      THR   2  -6.357  11.413  -2.950
   20   1HG2  THR   2          1HG2      THR   2  -3.293  12.816  -1.103
   21   2HG2  THR   2          2HG2      THR   2  -4.619  12.267  -0.098
   22   3HG2  THR   2          3HG2      THR   2  -4.917  13.432  -1.378
   23    H    TYR   3           H        TYR   3  -3.071   9.645  -3.535
   24    HA   TYR   3           HA       TYR   3  -4.691   8.303  -5.672
   25   1HB   TYR   3          1HB       TYR   3  -1.735   7.845  -4.985
   26   2HB   TYR   3          2HB       TYR   3  -2.626   7.046  -6.278
   27    HD1  TYR   3           HD1      TYR   3  -1.869  10.577  -5.151
   28    HD2  TYR   3           HD2      TYR   3  -2.306   7.888  -8.435
   29    HE1  TYR   3           HE1      TYR   3  -1.263  12.360  -6.697
   30    HE2  TYR   3           HE2      TYR   3  -1.696   9.692  -9.969
   31    HH   TYR   3           HH       TYR   3  -1.033  11.794 -10.184
   32    H    GLN   4           H        GLN   4  -4.975   5.995  -5.280
   33    HA   GLN   4           HA       GLN   4  -4.647   5.219  -2.412
   34   1HB   GLN   4          1HB       GLN   4  -7.036   5.414  -4.081
   35   2HB   GLN   4          2HB       GLN   4  -6.846   3.754  -3.584
   36   1HG   GLN   4          2HG       GLN   4  -6.766   6.114  -1.652
   37   2HG   GLN   4          1HG       GLN   4  -8.200   5.156  -1.972
   38   1HE2  GLN   4          2HE2      GLN   4  -6.088   2.731  -2.197
   39   2HE2  GLN   4          1HE2      GLN   4  -5.883   2.319  -0.570
   40    H    CYS   5           H        CYS   5  -3.707   3.127  -2.026
   41    HA   CYS   5           HA       CYS   5  -2.227   1.939  -4.093
   42   1HB   CYS   5          1HB       CYS   5  -1.909   1.638  -1.629
   43   2HB   CYS   5          2HB       CYS   5  -3.345   0.621  -1.609
   44    H    GLN   6           H        GLN   6  -2.495  -0.163  -4.995
   45    HA   GLN   6           HA       GLN   6  -5.307  -0.669  -5.866
   46   1HB   GLN   6          1HB       GLN   6  -4.180  -1.935  -7.754
   47   2HB   GLN   6          2HB       GLN   6  -3.797  -0.229  -7.710
   48   1HG   GLN   6          2HG       GLN   6  -1.667  -0.656  -6.606
   49   2HG   GLN   6          1HG       GLN   6  -2.003  -2.370  -6.468
   50   1HE2  GLN   6          2HE2      GLN   6  -0.349  -0.142  -8.306
   51   2HE2  GLN   6          1HE2      GLN   6  -0.235  -1.016  -9.757
   52    H    TYR   7           H        TYR   7  -3.083  -1.872  -3.746
   53    HA   TYR   7           HA       TYR   7  -4.206  -4.649  -3.821
   54   1HB   TYR   7          1HB       TYR   7  -1.553  -3.584  -2.751
   55   2HB   TYR   7          2HB       TYR   7  -2.096  -5.246  -2.543
   56    HD1  TYR   7           HD1      TYR   7   0.432  -4.884  -3.680
   57    HD2  TYR   7           HD2      TYR   7  -3.288  -4.729  -5.743
   58    HE1  TYR   7           HE1      TYR   7   1.554  -5.485  -5.765
   59    HE2  TYR   7           HE2      TYR   7  -2.166  -5.324  -7.814
   60    HH   TYR   7           HH       TYR   7   1.263  -6.140  -7.905
   61    H    CYS   8           H        CYS   8  -3.221  -2.004  -1.654
   62    HA   CYS   8           HA       CYS   8  -5.089  -3.111   0.423
   63   1HB   CYS   8          1HB       CYS   8  -3.691  -2.292   2.124
   64   2HB   CYS   8          2HB       CYS   8  -2.573  -2.948   0.932
   65    H    GLU   9           H        GLU   9  -5.113  -0.944   2.058
   66    HA   GLU   9           HA       GLU   9  -6.631   1.079   0.465
   67   1HB   GLU   9          1HB       GLU   9  -7.889  -0.367   2.149
   68   2HB   GLU   9          2HB       GLU   9  -6.946   0.405   3.415
   69   1HG   GLU   9          2HG       GLU   9  -7.818   2.661   2.568
   70   2HG   GLU   9          1HG       GLU   9  -8.851   1.773   1.464
   71    H1   HAC  10           H1       HAC  10  -1.198   4.298   2.559
   72   1H2   HAC  10          1H2       HAC  10  -0.078   4.446   0.304
   73   2H2   HAC  10          2H2       HAC  10   0.803   2.988   0.665
   74   1H3   HAC  10          1H3       HAC  10   0.978   5.598   2.252
   75   2H3   HAC  10          2H3       HAC  10   2.172   5.011   1.105
   76   1H4   HAC  10          1H4       HAC  10   2.566   3.012   2.503
   77   2H4   HAC  10          2H4       HAC  10   2.818   4.459   3.457
   78   1H5   HAC  10          1H5       HAC  10   1.469   2.807   4.716
   79   2H5   HAC  10          2H5       HAC  10   0.557   4.275   4.415
   80   1H6   HAC  10          1H6       HAC  10   0.323   1.679   2.846
   81   2H6   HAC  10          2H6       HAC  10  -0.873   2.321   3.956
   82   1H7   HAC  10          1H7       HAC  10  -1.557   2.573   0.292
   83   2H7   HAC  10          2H7       HAC  10  -1.814   1.563   1.649
   84    H8   HAC  10           H8       HAC  10  -3.314   3.487   2.567
   85   1HN8  HAC  10          1HN8      HAC  10  -4.060   1.570   0.363
   86    H    ARG  11           H        ARG  11  -2.254   5.515   1.780
   87    HA   ARG  11           HA       ARG  11  -2.926   6.233  -1.001
   88   1HB   ARG  11          1HB       ARG  11  -4.085   8.301  -0.297
   89   2HB   ARG  11          2HB       ARG  11  -4.880   6.895   0.388
   90   1HG   ARG  11          2HG       ARG  11  -3.466   7.337   2.527
   91   2HG   ARG  11          1HG       ARG  11  -3.047   8.874   1.793
   92   1HD   ARG  11          2HD       ARG  11  -5.513   9.383   1.556
   93   2HD   ARG  11          1HD       ARG  11  -5.853   7.890   2.435
   94    HE   ARG  11           HE       ARG  11  -4.374  10.223   3.581
   95   1HH1  ARG  11          2HH2      ARG  11  -7.268   9.350   4.198
   96   2HH1  ARG  11          1HH2      ARG  11  -7.045   8.584   5.739
   97   1HH2  ARG  11          1HH1      ARG  11  -3.571   8.381   5.369
   98   2HH2  ARG  11          2HH1      ARG  11  -4.905   8.021   6.409
   99    H    SER  12           H        SER  12  -1.936   7.917  -1.821
  100    HA   SER  12           HA       SER  12   0.441   9.054  -0.405
  101   1HB   SER  12          2HB       SER  12   0.404   7.941  -3.273
  102   2HB   SER  12          1HB       SER  12   1.773   8.739  -2.523
  103    HG   SER  12           HG       SER  12   0.998   6.196  -2.254
  104    H    ALA  13           H        ALA  13   1.330  10.845  -1.901
  105    HA   ALA  13           HA       ALA  13  -0.951  12.632  -2.629
  106   1HB   ALA  13          1HB       ALA  13   0.638  13.452  -0.897
  107   2HB   ALA  13          2HB       ALA  13   0.711  14.450  -2.342
  108   3HB   ALA  13          3HB       ALA  13   1.964  13.259  -2.032
  109    H    ASP  14           H        ASP  14   1.696  10.892  -3.813
  110    HA   ASP  14           HA       ASP  14   1.385  12.022  -6.561
  111   1HB   ASP  14          1HB       ASP  14   3.484  12.763  -5.545
  112   2HB   ASP  14          2HB       ASP  14   3.862  11.128  -5.019
  113    H    SER  15           H        SER  15   2.417  10.287  -8.138
  114    HA   SER  15           HA       SER  15   0.957   7.746  -7.649
  115   1HB   SER  15          2HB       SER  15   0.624   9.028  -9.827
  116   2HB   SER  15          1HB       SER  15   2.321   8.722 -10.220
  117    HG   SER  15           HG       SER  15   1.682   6.831 -10.842
  118    H    SER  16           H        SER  16   4.185   8.833  -8.705
  119    HA   SER  16           HA       SER  16   5.491   6.345  -8.785
  120   1HB   SER  16          2HB       SER  16   6.592   8.555  -9.432
  121   2HB   SER  16          1HB       SER  16   6.695   8.959  -7.712
  122    HG   SER  16           HG       SER  16   8.311   7.400  -9.108
  123    H    ASN  17           H        ASN  17   5.159   8.563  -6.087
  124    HA   ASN  17           HA       ASN  17   6.387   7.070  -4.038
  125   1HB   ASN  17          1HB       ASN  17   4.057   9.036  -3.843
  126   2HB   ASN  17          2HB       ASN  17   4.999   8.468  -2.469
  127   1HD2  ASN  17          1HD2      ASN  17   6.639   9.900  -1.924
  128   2HD2  ASN  17          2HD2      ASN  17   7.470  10.900  -3.012
  129    H    LEU  18           H        LEU  18   3.280   6.487  -5.460
  130    HA   LEU  18           HA       LEU  18   2.376   4.794  -3.218
  131   1HB   LEU  18          1HB       LEU  18   0.748   6.186  -4.539
  132   2HB   LEU  18          2HB       LEU  18   1.159   5.271  -5.982
  133    HG   LEU  18           HG       LEU  18   0.296   3.158  -4.868
  134   1HD1  LEU  18          1HD1      LEU  18  -1.042   3.406  -2.797
  135   2HD1  LEU  18          2HD1      LEU  18  -0.635   5.109  -2.706
  136   3HD1  LEU  18          3HD1      LEU  18   0.606   3.887  -2.479
  137   1HD2  LEU  18          1HD2      LEU  18  -1.124   4.560  -6.366
  138   2HD2  LEU  18          2HD2      LEU  18  -1.653   5.494  -4.973
  139   3HD2  LEU  18          3HD2      LEU  18  -2.059   3.796  -5.103
  140    H    LYS  19           H        LYS  19   3.343   4.464  -6.600
  141    HA   LYS  19           HA       LYS  19   3.165   1.637  -6.698
  142   1HB   LYS  19          1HB       LYS  19   3.678   3.242  -8.698
  143   2HB   LYS  19          2HB       LYS  19   5.324   3.332  -8.107
  144   1HG   LYS  19          2HG       LYS  19   5.185   1.633  -9.887
  145   2HG   LYS  19          1HG       LYS  19   5.541   0.834  -8.367
  146   1HD   LYS  19          2HD       LYS  19   3.068   0.273  -8.128
  147   2HD   LYS  19          1HD       LYS  19   2.776   1.071  -9.664
  148   1HE   LYS  19          2HE       LYS  19   4.239  -0.616 -10.774
  149   2HE   LYS  19          1HE       LYS  19   4.539  -1.373  -9.214
  150   1HZ   LYS  19          1HZ       LYS  19   2.399  -1.774 -10.950
  151   2HZ   LYS  19          2HZ       LYS  19   1.775  -1.074  -9.534
  152   3HZ   LYS  19          3HZ       LYS  19   2.681  -2.507  -9.446
  153    H    THR  20           H        THR  20   5.931   3.675  -5.807
  154    HA   THR  20           HA       THR  20   7.800   1.685  -5.173
  155    HB   THR  20           HB       THR  20   8.628   3.447  -3.394
  156    HG1  THR  20           HG1      THR  20   6.523   4.887  -4.577
  157   1HG2  THR  20          1HG2      THR  20   9.368   3.609  -5.832
  158   2HG2  THR  20          2HG2      THR  20   9.155   5.182  -5.081
  159   3HG2  THR  20          3HG2      THR  20   7.931   4.556  -6.174
  160    H    HIS  21           H        HIS  21   5.365   3.154  -3.013
  161    HA   HIS  21           HA       HIS  21   5.732   1.708  -0.679
  162   1HB   HIS  21          1HB       HIS  21   3.971   3.249  -0.442
  163   2HB   HIS  21          2HB       HIS  21   3.279   2.914  -2.010
  164    HD1  HIS  21           HD1      HIS  21   3.375   1.471   1.424
  165    HD2  HIS  21           HD2      HIS  21   1.228   1.024  -2.008
  166    HE1  HIS  21           HE1      HIS  21   1.468  -0.011   1.979
  167    H    ILE  22           H        ILE  22   3.663   0.704  -3.409
  168    HA   ILE  22           HA       ILE  22   3.012  -1.878  -2.460
  169    HB   ILE  22           HB       ILE  22   3.413  -0.961  -5.364
  170   1HG1  ILE  22          2HG1      ILE  22   0.864  -1.095  -3.689
  171   2HG1  ILE  22          1HG1      ILE  22   1.785   0.374  -3.892
  172   1HG2  ILE  22          1HG2      ILE  22   3.314  -3.444  -5.156
  173   2HG2  ILE  22          2HG2      ILE  22   1.872  -2.820  -5.924
  174   3HG2  ILE  22          3HG2      ILE  22   1.829  -3.286  -4.229
  175   1HD1  ILE  22          1HD1      ILE  22   1.444   0.268  -6.337
  176   2HD1  ILE  22          2HD1      ILE  22  -0.083   0.310  -5.474
  177   3HD1  ILE  22          3HD1      ILE  22   0.497  -1.198  -6.156
  178    H    LYS  23           H        LYS  23   5.503  -0.992  -4.702
  179    HA   LYS  23           HA       LYS  23   6.847  -3.387  -5.124
  180   1HB   LYS  23          1HB       LYS  23   7.050  -1.127  -6.285
  181   2HB   LYS  23          2HB       LYS  23   8.098  -0.630  -4.981
  182   1HG   LYS  23          2HG       LYS  23   9.738  -2.340  -5.547
  183   2HG   LYS  23          1HG       LYS  23   8.670  -3.022  -6.767
  184   1HD   LYS  23          2HD       LYS  23   8.710  -0.793  -7.965
  185   2HD   LYS  23          1HD       LYS  23   9.875  -0.208  -6.790
  186   1HE   LYS  23          2HE       LYS  23  10.286  -2.620  -8.610
  187   2HE   LYS  23          1HE       LYS  23  10.994  -1.035  -8.868
  188   1HZ   LYS  23          1HZ       LYS  23  12.642  -1.596  -7.550
  189   2HZ   LYS  23          2HZ       LYS  23  11.945  -3.120  -7.286
  190   3HZ   LYS  23          3HZ       LYS  23  11.567  -1.826  -6.252
  191    H    THR  24           H        THR  24   6.725  -1.682  -2.201
  192    HA   THR  24           HA       THR  24   9.170  -3.022  -1.148
  193    HB   THR  24           HB       THR  24   7.819  -0.447  -0.186
  194    HG1  THR  24           HG1      THR  24  10.301  -0.218  -1.084
  195   1HG2  THR  24          1HG2      THR  24   9.145  -1.695   1.627
  196   2HG2  THR  24          2HG2      THR  24   9.884  -0.174   1.167
  197   3HG2  THR  24          3HG2      THR  24  10.540  -1.685   0.554
  198    H    LYS  25           H        LYS  25   5.884  -2.158  -0.205
  199    HA   LYS  25           HA       LYS  25   5.995  -3.951   2.134
  200   1HB   LYS  25          1HB       LYS  25   3.985  -1.850   1.280
  201   2HB   LYS  25          2HB       LYS  25   3.871  -2.767   2.776
  202   1HG   LYS  25          2HG       LYS  25   5.991  -1.855   3.551
  203   2HG   LYS  25          1HG       LYS  25   6.289  -1.068   2.008
  204   1HD   LYS  25          2HD       LYS  25   4.164   0.269   2.429
  205   2HD   LYS  25          1HD       LYS  25   4.093  -0.433   4.031
  206   1HE   LYS  25          2HE       LYS  25   5.189   1.803   4.063
  207   2HE   LYS  25          1HE       LYS  25   6.309   0.551   4.589
  208   1HZ   LYS  25          1HZ       LYS  25   7.662   1.135   2.980
  209   2HZ   LYS  25          2HZ       LYS  25   6.591   2.357   2.489
  210   3HZ   LYS  25          3HZ       LYS  25   6.481   0.807   1.807
  211    H    HIS  26           H        HIS  26   4.677  -4.233  -1.027
  212    HA   HIS  26           HA       HIS  26   2.757  -6.289  -0.030
  213   1HB   HIS  26          1HB       HIS  26   2.743  -4.604  -2.542
  214   2HB   HIS  26          2HB       HIS  26   1.707  -6.002  -2.347
  215    HD1  HIS  26           HD1      HIS  26   0.634  -5.688   0.392
  216    HD2  HIS  26           HD2      HIS  26   1.218  -2.401  -1.973
  217    HE1  HIS  26           HE1      HIS  26  -0.824  -3.915   1.291
  218    H    SER  27           H        SER  27   5.117  -5.602  -2.448
  219    HA   SER  27           HA       SER  27   5.238  -8.479  -3.169
  220   1HB   SER  27          2HB       SER  27   6.431  -7.632  -5.226
  221   2HB   SER  27          1HB       SER  27   4.816  -6.925  -5.048
  222    HG   SER  27           HG       SER  27   5.718  -5.060  -4.730
  223    H    LYS  28           H        LYS  28   6.941  -9.523  -3.152
  224    HA   LYS  28           HA       LYS  28   9.412  -8.545  -1.752
  225   1HB   LYS  28          1HB       LYS  28   8.322 -11.400  -1.901
  226   2HB   LYS  28          2HB       LYS  28   9.712 -10.884  -0.958
  227   1HG   LYS  28          2HG       LYS  28   8.074  -9.296   0.279
  228   2HG   LYS  28          1HG       LYS  28   6.785 -10.177  -0.510
  229   1HD   LYS  28          2HD       LYS  28   8.866 -11.361   1.382
  230   2HD   LYS  28          1HD       LYS  28   7.179 -11.081   1.745
  231   1HE   LYS  28          2HE       LYS  28   8.190 -13.052  -0.359
  232   2HE   LYS  28          1HE       LYS  28   7.592 -13.468   1.236
  233   1HZ   LYS  28          1HZ       LYS  28   5.685 -11.846   0.029
  234   2HZ   LYS  28          2HZ       LYS  28   5.574 -13.489   0.445
  235   3HZ   LYS  28          3HZ       LYS  28   6.127 -13.037  -1.097
  236    H    GLU  29           H        GLU  29  11.288 -10.163  -2.455
  237    HA   GLU  29           HA       GLU  29  11.236 -10.262  -5.453
  238   1HB   GLU  29          1HB       GLU  29  13.481  -9.779  -3.454
  239   2HB   GLU  29          2HB       GLU  29  13.806 -10.160  -5.132
  240   1HG   GLU  29          2HG       GLU  29  13.835  -7.705  -4.787
  241   2HG   GLU  29          1HG       GLU  29  12.517  -8.152  -5.841
  242    H    LYS  30           H        LYS  30  10.027 -12.185  -4.383
  243    HA   LYS  30           HA       LYS  30  10.303 -14.469  -3.435
  244   1HB   LYS  30          1HB       LYS  30  10.164 -14.371  -6.470
  245   2HB   LYS  30          2HB       LYS  30   9.630 -15.702  -5.461
  246   1HG   LYS  30          2HG       LYS  30   7.982 -14.194  -4.334
  247   2HG   LYS  30          1HG       LYS  30   8.522 -12.858  -5.329
  248   1HD   LYS  30          2HD       LYS  30   6.477 -13.744  -6.295
  249   2HD   LYS  30          1HD       LYS  30   7.802 -14.102  -7.383
  250   1HE   LYS  30          2HE       LYS  30   7.902 -16.426  -6.560
  251   2HE   LYS  30          1HE       LYS  30   6.679 -16.078  -5.348
  252   1HZ   LYS  30          1HZ       LYS  30   5.699 -15.287  -7.838
  253   2HZ   LYS  30          2HZ       LYS  30   5.141 -16.535  -6.830
  254   3HZ   LYS  30          3HZ       LYS  30   6.326 -16.859  -7.998
  Start of MODEL   15
    1   1H    LYS   1          1H        LYS   1  -5.483  16.208  -5.194
    2   2H    LYS   1          2H        LYS   1  -7.092  16.717  -4.992
    3   3H    LYS   1          3H        LYS   1  -6.407  16.656  -6.544
    4    HA   LYS   1           HA       LYS   1  -7.818  14.674  -5.197
    5   1HB   LYS   1          2HB       LYS   1  -7.858  15.228  -7.650
    6   2HB   LYS   1          1HB       LYS   1  -6.220  14.639  -7.809
    7   1HG   LYS   1          2HG       LYS   1  -7.761  12.951  -8.627
    8   2HG   LYS   1          1HG       LYS   1  -7.001  12.340  -7.174
    9   1HD   LYS   1          2HD       LYS   1  -8.970  12.723  -5.849
   10   2HD   LYS   1          1HD       LYS   1  -9.683  13.771  -7.061
   11   1HE   LYS   1          2HE       LYS   1 -10.779  11.575  -7.130
   12   2HE   LYS   1          1HE       LYS   1  -9.884  11.825  -8.615
   13   1HZ   LYS   1          1HZ       LYS   1  -8.202  10.540  -6.731
   14   2HZ   LYS   1          2HZ       LYS   1  -8.768  10.000  -8.235
   15   3HZ   LYS   1          3HZ       LYS   1  -9.678   9.728  -6.833
   16    H    THR   2           H        THR   2  -7.279  12.666  -4.525
   17    HA   THR   2           HA       THR   2  -4.371  12.046  -4.150
   18    HB   THR   2           HB       THR   2  -5.359  12.510  -1.963
   19    HG1  THR   2           HG1      THR   2  -4.347  10.855  -1.306
   20   1HG2  THR   2          1HG2      THR   2  -7.391  10.283  -2.600
   21   2HG2  THR   2          2HG2      THR   2  -7.818  11.985  -2.547
   22   3HG2  THR   2          3HG2      THR   2  -7.280  11.170  -1.090
   23    H    TYR   3           H        TYR   3  -4.073   9.798  -3.753
   24    HA   TYR   3           HA       TYR   3  -5.783   8.009  -5.461
   25   1HB   TYR   3          1HB       TYR   3  -2.725   7.996  -5.485
   26   2HB   TYR   3          2HB       TYR   3  -3.787   7.067  -6.527
   27    HD1  TYR   3           HD1      TYR   3  -2.675  10.508  -5.680
   28    HD2  TYR   3           HD2      TYR   3  -4.777   8.103  -8.497
   29    HE1  TYR   3           HE1      TYR   3  -2.760  12.398  -7.227
   30    HE2  TYR   3           HE2      TYR   3  -4.862   9.998 -10.046
   31    HH   TYR   3           HH       TYR   3  -4.258  12.100 -10.428
   32    H    GLN   4           H        GLN   4  -5.660   5.808  -4.991
   33    HA   GLN   4           HA       GLN   4  -4.693   5.163  -2.245
   34   1HB   GLN   4          1HB       GLN   4  -7.120   4.087  -3.739
   35   2HB   GLN   4          2HB       GLN   4  -6.607   3.515  -2.167
   36   1HG   GLN   4          2HG       GLN   4  -7.330   6.423  -2.753
   37   2HG   GLN   4          1HG       GLN   4  -8.468   5.257  -2.117
   38   1HE2  GLN   4          1HE2      GLN   4  -5.646   4.344  -0.585
   39   2HE2  GLN   4          2HE2      GLN   4  -5.767   5.341   0.780
   40    H    CYS   5           H        CYS   5  -3.932   2.951  -1.911
   41    HA   CYS   5           HA       CYS   5  -2.240   2.020  -3.996
   42   1HB   CYS   5          1HB       CYS   5  -1.807   1.712  -1.621
   43   2HB   CYS   5          2HB       CYS   5  -3.215   0.673  -1.474
   44    H    GLN   6           H        GLN   6  -2.144  -0.337  -4.542
   45    HA   GLN   6           HA       GLN   6  -4.647  -1.122  -5.944
   46   1HB   GLN   6          1HB       GLN   6  -1.756  -1.946  -6.297
   47   2HB   GLN   6          2HB       GLN   6  -3.069  -2.719  -7.163
   48   1HG   GLN   6          2HG       GLN   6  -3.723  -0.525  -8.160
   49   2HG   GLN   6          1HG       GLN   6  -2.391   0.252  -7.308
   50   1HE2  GLN   6          1HE2      GLN   6  -3.238  -1.633 -10.103
   51   2HE2  GLN   6          2HE2      GLN   6  -1.665  -1.811 -10.716
   52    H    TYR   7           H        TYR   7  -2.564  -2.230  -3.422
   53    HA   TYR   7           HA       TYR   7  -4.008  -4.847  -3.264
   54   1HB   TYR   7          1HB       TYR   7  -1.311  -3.932  -2.196
   55   2HB   TYR   7          2HB       TYR   7  -2.027  -5.481  -1.781
   56    HD1  TYR   7           HD1      TYR   7  -2.495  -7.164  -3.594
   57    HD2  TYR   7           HD2      TYR   7  -0.330  -3.585  -4.395
   58    HE1  TYR   7           HE1      TYR   7  -1.694  -8.121  -5.698
   59    HE2  TYR   7           HE2      TYR   7   0.473  -4.546  -6.502
   60    HH   TYR   7           HH       TYR   7   0.407  -6.270  -7.887
   61    H    CYS   8           H        CYS   8  -2.916  -2.090  -1.359
   62    HA   CYS   8           HA       CYS   8  -4.909  -2.823   0.769
   63   1HB   CYS   8          1HB       CYS   8  -3.474  -1.861   2.397
   64   2HB   CYS   8          2HB       CYS   8  -2.351  -2.612   1.291
   65    H    GLU   9           H        GLU   9  -4.901  -0.396   2.001
   66    HA   GLU   9           HA       GLU   9  -6.049   1.458  -0.048
   67   1HB   GLU   9          1HB       GLU   9  -7.829   0.307   1.349
   68   2HB   GLU   9          2HB       GLU   9  -7.064   0.932   2.807
   69   1HG   GLU   9          2HG       GLU   9  -9.005   2.305   2.231
   70   2HG   GLU   9          1HG       GLU   9  -7.573   3.276   2.046
   71    H1   HAC  10           H1       HAC  10  -0.841   4.831   2.097
   72   1H2   HAC  10          1H2       HAC  10   0.238   4.780  -0.152
   73   2H2   HAC  10          2H2       HAC  10   1.152   3.358   0.299
   74   1H3   HAC  10          1H3       HAC  10   1.335   6.081   1.653
   75   2H3   HAC  10          2H3       HAC  10   2.511   5.425   0.528
   76   1H4   HAC  10          1H4       HAC  10   2.943   3.539   2.090
   77   2H4   HAC  10          2H4       HAC  10   3.228   5.072   2.894
   78   1H5   HAC  10          1H5       HAC  10   1.913   3.543   4.340
   79   2H5   HAC  10          2H5       HAC  10   1.005   4.991   3.957
   80   1H6   HAC  10          1H6       HAC  10   0.697   2.257   2.657
   81   2H6   HAC  10          2H6       HAC  10  -0.456   3.038   3.713
   82   1H7   HAC  10          1H7       HAC  10  -1.253   2.913   0.036
   83   2H7   HAC  10          2H7       HAC  10  -1.358   1.982   1.484
   84    H8   HAC  10           H8       HAC  10  -2.971   3.707   2.449
   85   1HN8  HAC  10          1HN8      HAC  10  -3.639   1.878   0.195
   86    H    ARG  11           H        ARG  11  -3.050   5.866   2.207
   87    HA   ARG  11           HA       ARG  11  -3.917   6.955  -0.418
   88   1HB   ARG  11          1HB       ARG  11  -5.336   7.333   1.598
   89   2HB   ARG  11          2HB       ARG  11  -4.025   8.230   2.336
   90   1HG   ARG  11          2HG       ARG  11  -4.074   9.778   0.283
   91   2HG   ARG  11          1HG       ARG  11  -5.541   8.938  -0.202
   92   1HD   ARG  11          2HD       ARG  11  -5.171  10.448   2.425
   93   2HD   ARG  11          1HD       ARG  11  -6.050  11.035   1.024
   94    HE   ARG  11           HE       ARG  11  -6.882   8.608   2.568
   95   1HH1  ARG  11          1HH2      ARG  11  -7.979  11.485   2.936
   96   2HH1  ARG  11          2HH2      ARG  11  -9.471  11.358   2.066
   97   1HH2  ARG  11          1HH1      ARG  11  -8.487   8.373   0.510
   98   2HH2  ARG  11          2HH1      ARG  11  -9.788   9.519   0.637
   99    H    SER  12           H        SER  12  -2.718   8.148  -1.565
  100    HA   SER  12           HA       SER  12  -0.366   9.630  -0.457
  101   1HB   SER  12          2HB       SER  12  -0.346   7.979  -3.045
  102   2HB   SER  12          1HB       SER  12   0.994   8.922  -2.434
  103    HG   SER  12           HG       SER  12   0.378   6.466  -1.750
  104    H    ALA  13           H        ALA  13   0.385  11.290  -1.981
  105    HA   ALA  13           HA       ALA  13  -1.881  12.601  -3.442
  106   1HB   ALA  13          1HB       ALA  13   0.610  13.813  -2.181
  107   2HB   ALA  13          2HB       ALA  13  -0.993  13.854  -1.465
  108   3HB   ALA  13          3HB       ALA  13  -0.672  14.723  -2.964
  109    H    ASP  14           H        ASP  14   1.003  11.042  -3.719
  110    HA   ASP  14           HA       ASP  14   1.579  12.050  -6.462
  111   1HB   ASP  14          1HB       ASP  14   3.237  12.801  -4.832
  112   2HB   ASP  14          2HB       ASP  14   3.361  11.184  -4.152
  113    H    SER  15           H        SER  15   2.838  10.352  -7.691
  114    HA   SER  15           HA       SER  15   1.471   7.716  -7.415
  115   1HB   SER  15          2HB       SER  15   1.112   8.912  -9.616
  116   2HB   SER  15          1HB       SER  15   2.863   8.917  -9.878
  117    HG   SER  15           HG       SER  15   2.720   6.913 -10.429
  118    H    SER  16           H        SER  16   4.600   8.887  -8.664
  119    HA   SER  16           HA       SER  16   6.147   6.664  -8.693
  120   1HB   SER  16          2HB       SER  16   8.100   8.227  -7.848
  121   2HB   SER  16          1HB       SER  16   7.176   8.779  -9.245
  122    HG   SER  16           HG       SER  16   6.854   9.599  -6.539
  123    H    ASN  17           H        ASN  17   5.290   8.375  -5.781
  124    HA   ASN  17           HA       ASN  17   6.770   6.760  -3.922
  125   1HB   ASN  17          1HB       ASN  17   4.380   8.627  -3.522
  126   2HB   ASN  17          2HB       ASN  17   5.340   7.946  -2.211
  127   1HD2  ASN  17          2HD2      ASN  17   6.572   9.734  -1.469
  128   2HD2  ASN  17          1HD2      ASN  17   7.512  10.719  -2.481
  129    H    LEU  18           H        LEU  18   3.228   6.833  -4.625
  130    HA   LEU  18           HA       LEU  18   2.547   4.650  -2.978
  131   1HB   LEU  18          1HB       LEU  18   0.911   6.215  -4.182
  132   2HB   LEU  18          2HB       LEU  18   1.305   5.388  -5.690
  133    HG   LEU  18           HG       LEU  18   0.328   3.236  -4.715
  134   1HD1  LEU  18          1HD1      LEU  18  -1.014   3.411  -2.656
  135   2HD1  LEU  18          2HD1      LEU  18  -0.559   5.085  -2.452
  136   3HD1  LEU  18          3HD1      LEU  18   0.647   3.812  -2.282
  137   1HD2  LEU  18          1HD2      LEU  18  -2.000   4.024  -4.910
  138   2HD2  LEU  18          2HD2      LEU  18  -1.013   4.788  -6.136
  139   3HD2  LEU  18          3HD2      LEU  18  -1.489   5.689  -4.704
  140    H    LYS  19           H        LYS  19   3.740   4.690  -6.224
  141    HA   LYS  19           HA       LYS  19   3.434   1.882  -6.761
  142   1HB   LYS  19          1HB       LYS  19   3.927   3.732  -8.473
  143   2HB   LYS  19          2HB       LYS  19   5.537   3.875  -7.809
  144   1HG   LYS  19          2HG       LYS  19   6.041   1.539  -8.478
  145   2HG   LYS  19          1HG       LYS  19   4.403   1.361  -9.093
  146   1HD   LYS  19          2HD       LYS  19   4.787   3.174 -10.730
  147   2HD   LYS  19          1HD       LYS  19   6.392   3.459 -10.084
  148   1HE   LYS  19          2HE       LYS  19   6.570   2.092 -12.113
  149   2HE   LYS  19          1HE       LYS  19   7.015   1.096 -10.734
  150   1HZ   LYS  19          1HZ       LYS  19   5.022   0.635 -12.606
  151   2HZ   LYS  19          2HZ       LYS  19   4.242   0.930 -11.129
  152   3HZ   LYS  19          3HZ       LYS  19   5.414  -0.292 -11.236
  153    H    THR  20           H        THR  20   6.303   3.729  -5.672
  154    HA   THR  20           HA       THR  20   8.019   1.583  -5.152
  155    HB   THR  20           HB       THR  20   7.643   4.238  -3.630
  156    HG1  THR  20           HG1      THR  20   8.156   4.514  -5.700
  157   1HG2  THR  20          1HG2      THR  20   9.991   3.923  -2.919
  158   2HG2  THR  20          2HG2      THR  20  10.090   2.375  -3.745
  159   3HG2  THR  20          3HG2      THR  20   9.084   2.552  -2.314
  160    H    HIS  21           H        HIS  21   5.617   3.056  -2.987
  161    HA   HIS  21           HA       HIS  21   5.822   1.500  -0.723
  162   1HB   HIS  21          1HB       HIS  21   4.231   3.239  -0.589
  163   2HB   HIS  21          2HB       HIS  21   3.490   2.862  -2.122
  164    HD1  HIS  21           HD1      HIS  21   3.539   1.614   1.394
  165    HD2  HIS  21           HD2      HIS  21   1.375   1.070  -2.025
  166    HE1  HIS  21           HE1      HIS  21   1.561   0.256   2.009
  167    H    ILE  22           H        ILE  22   3.623   0.765  -3.473
  168    HA   ILE  22           HA       ILE  22   2.842  -1.828  -2.693
  169    HB   ILE  22           HB       ILE  22   3.321  -0.688  -5.492
  170   1HG1  ILE  22          2HG1      ILE  22   0.708  -1.112  -3.991
  171   2HG1  ILE  22          1HG1      ILE  22   1.562   0.406  -3.946
  172   1HG2  ILE  22          1HG2      ILE  22   1.866  -2.565  -6.295
  173   2HG2  ILE  22          2HG2      ILE  22   1.823  -3.213  -4.660
  174   3HG2  ILE  22          3HG2      ILE  22   3.326  -3.179  -5.564
  175   1HD1  ILE  22          1HD1      ILE  22   1.386   0.546  -6.454
  176   2HD1  ILE  22          2HD1      ILE  22  -0.190   0.466  -5.688
  177   3HD1  ILE  22          3HD1      ILE  22   0.478  -0.959  -6.454
  178    H    LYS  23           H        LYS  23   5.406  -1.116  -4.978
  179    HA   LYS  23           HA       LYS  23   6.503  -3.541  -5.476
  180   1HB   LYS  23          1HB       LYS  23   7.198  -1.410  -6.447
  181   2HB   LYS  23          2HB       LYS  23   8.032  -0.964  -4.977
  182   1HG   LYS  23          2HG       LYS  23   9.664  -2.706  -5.212
  183   2HG   LYS  23          1HG       LYS  23   8.750  -3.525  -6.458
  184   1HD   LYS  23          2HD       LYS  23   9.946  -0.734  -6.777
  185   2HD   LYS  23          1HD       LYS  23  10.733  -2.200  -7.325
  186   1HE   LYS  23          2HE       LYS  23   8.735  -2.688  -8.789
  187   2HE   LYS  23          1HE       LYS  23   8.027  -1.156  -8.298
  188   1HZ   LYS  23          1HZ       LYS  23   9.187  -0.155  -9.827
  189   2HZ   LYS  23          2HZ       LYS  23   9.893  -1.627 -10.297
  190   3HZ   LYS  23          3HZ       LYS  23  10.641  -0.667  -9.112
  191    H    THR  24           H        THR  24   7.185  -1.783  -2.482
  192    HA   THR  24           HA       THR  24   8.916  -4.042  -1.598
  193    HB   THR  24           HB       THR  24   9.950  -1.802  -1.517
  194    HG1  THR  24           HG1      THR  24   9.691  -2.213   1.137
  195   1HG2  THR  24          1HG2      THR  24   9.182  -0.153   0.156
  196   2HG2  THR  24          2HG2      THR  24   7.884  -1.205   0.679
  197   3HG2  THR  24          3HG2      THR  24   7.825  -0.465  -0.909
  198    H    LYS  25           H        LYS  25   5.919  -2.436  -0.498
  199    HA   LYS  25           HA       LYS  25   5.948  -4.033   1.976
  200   1HB   LYS  25          1HB       LYS  25   3.788  -2.122   0.986
  201   2HB   LYS  25          2HB       LYS  25   3.956  -2.784   2.607
  202   1HG   LYS  25          2HG       LYS  25   6.265  -1.670   2.680
  203   2HG   LYS  25          1HG       LYS  25   5.794  -0.827   1.213
  204   1HD   LYS  25          2HD       LYS  25   3.701  -0.055   2.505
  205   2HD   LYS  25          1HD       LYS  25   4.455  -0.719   3.931
  206   1HE   LYS  25          2HE       LYS  25   4.930   1.696   3.776
  207   2HE   LYS  25          1HE       LYS  25   6.425   0.787   3.597
  208   1HZ   LYS  25          1HZ       LYS  25   5.239   1.102   1.072
  209   2HZ   LYS  25          2HZ       LYS  25   6.725   1.711   1.634
  210   3HZ   LYS  25          3HZ       LYS  25   5.300   2.614   1.829
  211    H    HIS  26           H        HIS  26   4.455  -4.220  -1.150
  212    HA   HIS  26           HA       HIS  26   2.700  -6.443  -0.216
  213   1HB   HIS  26          1HB       HIS  26   2.439  -4.569  -2.592
  214   2HB   HIS  26          2HB       HIS  26   1.347  -5.899  -2.295
  215    HD1  HIS  26           HD1      HIS  26   0.681  -5.506   0.619
  216    HD2  HIS  26           HD2      HIS  26   1.066  -2.336  -1.947
  217    HE1  HIS  26           HE1      HIS  26  -0.594  -3.616   1.620
  218    H    SER  27           H        SER  27   4.570  -5.226  -2.791
  219    HA   SER  27           HA       SER  27   6.425  -6.319  -3.897
  220   1HB   SER  27          2HB       SER  27   4.572  -8.804  -3.931
  221   2HB   SER  27          1HB       SER  27   6.138  -8.682  -4.727
  222    HG   SER  27           HG       SER  27   5.601  -9.128  -2.134
  223    H    LYS  28           H        LYS  28   6.292  -6.951  -6.309
  224    HA   LYS  28           HA       LYS  28   3.760  -5.881  -7.516
  225   1HB   LYS  28          1HB       LYS  28   5.870  -4.355  -7.607
  226   2HB   LYS  28          2HB       LYS  28   6.549  -5.544  -8.703
  227   1HG   LYS  28          2HG       LYS  28   4.515  -5.269 -10.185
  228   2HG   LYS  28          1HG       LYS  28   3.933  -4.026  -9.090
  229   1HD   LYS  28          2HD       LYS  28   6.086  -2.746  -9.497
  230   2HD   LYS  28          1HD       LYS  28   6.517  -3.949 -10.704
  231   1HE   LYS  28          2HE       LYS  28   5.476  -2.050 -11.839
  232   2HE   LYS  28          1HE       LYS  28   4.387  -3.423 -11.939
  233   1HZ   LYS  28          1HZ       LYS  28   2.846  -2.250 -10.933
  234   2HZ   LYS  28          2HZ       LYS  28   3.888  -0.914 -10.835
  235   3HZ   LYS  28          3HZ       LYS  28   3.835  -2.039  -9.569
  236    H    GLU  29           H        GLU  29   6.704  -7.522  -8.220
  237    HA   GLU  29           HA       GLU  29   5.289  -9.738  -9.639
  238   1HB   GLU  29          1HB       GLU  29   6.475  -8.274 -11.288
  239   2HB   GLU  29          2HB       GLU  29   7.954  -8.420 -10.364
  240   1HG   GLU  29          2HG       GLU  29   7.904  -9.971 -12.351
  241   2HG   GLU  29          1HG       GLU  29   8.107 -10.824 -10.836
  242    H    LYS  30           H        LYS  30   8.272  -8.690  -8.159
  243    HA   LYS  30           HA       LYS  30   8.632 -11.349  -6.831
  244   1HB   LYS  30          1HB       LYS  30  10.339 -10.846  -8.593
  245   2HB   LYS  30          2HB       LYS  30  10.732  -9.349  -7.774
  246   1HG   LYS  30          2HG       LYS  30  11.465 -10.634  -5.760
  247   2HG   LYS  30          1HG       LYS  30  11.052 -12.133  -6.579
  248   1HD   LYS  30          2HD       LYS  30  12.729 -11.637  -8.350
  249   2HD   LYS  30          1HD       LYS  30  13.094 -10.098  -7.597
  250   1HE   LYS  30          2HE       LYS  30  14.805 -11.749  -6.961
  251   2HE   LYS  30          1HE       LYS  30  13.870 -11.320  -5.540
  252   1HZ   LYS  30          1HZ       LYS  30  14.260 -13.833  -6.655
  253   2HZ   LYS  30          2HZ       LYS  30  12.610 -13.466  -6.823
  254   3HZ   LYS  30          3HZ       LYS  30  13.337 -13.423  -5.287
  Start of MODEL   16
    1   1H    LYS   1          1H        LYS   1  -4.422  15.714  -6.856
    2   2H    LYS   1          2H        LYS   1  -5.618  16.905  -6.678
    3   3H    LYS   1          3H        LYS   1  -5.690  15.817  -7.980
    4    HA   LYS   1           HA       LYS   1  -6.805  15.576  -5.429
    5   1HB   LYS   1          2HB       LYS   1  -7.871  13.584  -6.442
    6   2HB   LYS   1          1HB       LYS   1  -7.837  14.882  -7.611
    7   1HG   LYS   1          2HG       LYS   1  -5.841  13.894  -8.698
    8   2HG   LYS   1          1HG       LYS   1  -5.814  12.593  -7.521
    9   1HD   LYS   1          2HD       LYS   1  -8.148  11.944  -8.255
   10   2HD   LYS   1          1HD       LYS   1  -8.074  13.194  -9.478
   11   1HE   LYS   1          2HE       LYS   1  -7.489  11.025 -10.467
   12   2HE   LYS   1          1HE       LYS   1  -6.077  12.067 -10.490
   13   1HZ   LYS   1          1HZ       LYS   1  -4.998  10.580  -9.328
   14   2HZ   LYS   1          2HZ       LYS   1  -6.349   9.559  -9.342
   15   3HZ   LYS   1          3HZ       LYS   1  -6.119  10.641  -8.057
   16    H    THR   2           H        THR   2  -6.914  12.939  -4.877
   17    HA   THR   2           HA       THR   2  -4.167  12.311  -3.863
   18    HB   THR   2           HB       THR   2  -6.858  11.294  -2.780
   19    HG1  THR   2           HG1      THR   2  -5.543  13.148  -1.310
   20   1HG2  THR   2          1HG2      THR   2  -4.117  11.594  -1.431
   21   2HG2  THR   2          2HG2      THR   2  -4.756  10.048  -1.976
   22   3HG2  THR   2          3HG2      THR   2  -5.570  10.933  -0.703
   23    H    TYR   3           H        TYR   3  -3.806   9.979  -3.629
   24    HA   TYR   3           HA       TYR   3  -5.042   8.304  -5.786
   25   1HB   TYR   3          1HB       TYR   3  -2.057   8.482  -5.112
   26   2HB   TYR   3          2HB       TYR   3  -2.764   7.431  -6.328
   27    HD1  TYR   3           HD1      TYR   3  -2.493  11.065  -5.401
   28    HD2  TYR   3           HD2      TYR   3  -3.017   8.239  -8.543
   29    HE1  TYR   3           HE1      TYR   3  -2.355  12.867  -7.051
   30    HE2  TYR   3           HE2      TYR   3  -2.876  10.049 -10.185
   31    HH   TYR   3           HH       TYR   3  -2.390  13.422  -9.177
   32    H    GLN   4           H        GLN   4  -5.165   6.087  -5.266
   33    HA   GLN   4           HA       GLN   4  -4.532   5.393  -2.429
   34   1HB   GLN   4          1HB       GLN   4  -7.072   5.521  -3.752
   35   2HB   GLN   4          2HB       GLN   4  -6.757   3.824  -3.543
   36   1HG   GLN   4          2HG       GLN   4  -6.497   5.849  -1.277
   37   2HG   GLN   4          1HG       GLN   4  -7.999   5.010  -1.616
   38   1HE2  GLN   4          1HE2      GLN   4  -6.012   2.572  -2.350
   39   2HE2  GLN   4          2HE2      GLN   4  -5.734   1.916  -0.817
   40    H    CYS   5           H        CYS   5  -4.044   3.007  -2.055
   41    HA   CYS   5           HA       CYS   5  -2.351   1.988  -4.159
   42   1HB   CYS   5          1HB       CYS   5  -1.869   1.743  -1.777
   43   2HB   CYS   5          2HB       CYS   5  -3.321   0.766  -1.564
   44    H    GLN   6           H        GLN   6  -2.455  -0.268  -4.811
   45    HA   GLN   6           HA       GLN   6  -5.227  -1.041  -5.681
   46   1HB   GLN   6          1HB       GLN   6  -4.152  -2.045  -7.663
   47   2HB   GLN   6          2HB       GLN   6  -3.670  -0.365  -7.512
   48   1HG   GLN   6          2HG       GLN   6  -1.532  -1.081  -6.406
   49   2HG   GLN   6          1HG       GLN   6  -2.005  -2.759  -6.597
   50   1HE2  GLN   6          2HE2      GLN   6  -1.046  -3.715  -8.352
   51   2HE2  GLN   6          1HE2      GLN   6  -0.628  -2.921  -9.792
   52    H    TYR   7           H        TYR   7  -3.577  -1.746  -3.266
   53    HA   TYR   7           HA       TYR   7  -4.025  -4.685  -3.334
   54   1HB   TYR   7          1HB       TYR   7  -1.518  -3.219  -2.473
   55   2HB   TYR   7          2HB       TYR   7  -1.868  -4.832  -1.872
   56    HD1  TYR   7           HD1      TYR   7  -2.556  -6.573  -3.765
   57    HD2  TYR   7           HD2      TYR   7  -0.263  -3.056  -4.467
   58    HE1  TYR   7           HE1      TYR   7  -1.665  -7.564  -5.815
   59    HE2  TYR   7           HE2      TYR   7   0.627  -4.059  -6.526
   60    HH   TYR   7           HH       TYR   7   0.746  -5.846  -7.785
   61    H    CYS   8           H        CYS   8  -3.167  -1.990  -1.281
   62    HA   CYS   8           HA       CYS   8  -4.945  -3.020   0.901
   63   1HB   CYS   8          1HB       CYS   8  -3.421  -2.071   2.472
   64   2HB   CYS   8          2HB       CYS   8  -2.419  -2.795   1.242
   65    H    GLU   9           H        GLU   9  -4.908  -0.728   2.388
   66    HA   GLU   9           HA       GLU   9  -6.491   1.170   0.709
   67   1HB   GLU   9          1HB       GLU   9  -7.789  -0.113   2.477
   68   2HB   GLU   9          2HB       GLU   9  -6.748   0.603   3.704
   69   1HG   GLU   9          2HG       GLU   9  -8.882   1.826   3.547
   70   2HG   GLU   9          1HG       GLU   9  -7.572   2.884   3.099
   71    H1   HAC  10           H1       HAC  10  -1.063   4.649   2.008
   72   1H2   HAC  10          1H2       HAC  10  -0.111   4.616  -0.252
   73   2H2   HAC  10          2H2       HAC  10   0.752   3.141   0.088
   74   1H3   HAC  10          1H3       HAC  10   1.692   5.792   0.432
   75   2H3   HAC  10          2H3       HAC  10   2.520   4.321   0.882
   76   1H4   HAC  10          1H4       HAC  10   2.395   5.773   2.829
   77   2H4   HAC  10          2H4       HAC  10   0.663   5.960   2.656
   78   1H5   HAC  10          1H5       HAC  10   2.197   3.435   3.415
   79   2H5   HAC  10          2H5       HAC  10   1.044   4.310   4.397
   80   1H6   HAC  10          1H6       HAC  10   0.532   2.135   2.577
   81   2H6   HAC  10          2H6       HAC  10  -0.587   2.935   3.656
   82   1H7   HAC  10          1H7       HAC  10  -1.607   2.711   0.023
   83   2H7   HAC  10          2H7       HAC  10  -1.640   1.781   1.456
   84    H8   HAC  10           H8       HAC  10  -3.088   3.647   2.477
   85   1HN8  HAC  10          1HN8      HAC  10  -4.037   1.668   0.421
   86    H    ARG  11           H        ARG  11  -2.712   5.753   1.894
   87    HA   ARG  11           HA       ARG  11  -3.501   6.591  -0.858
   88   1HB   ARG  11          1HB       ARG  11  -4.095   8.840   0.453
   89   2HB   ARG  11          2HB       ARG  11  -5.258   7.548   0.334
   90   1HG   ARG  11          2HG       ARG  11  -3.368   7.581   2.698
   91   2HG   ARG  11          1HG       ARG  11  -4.733   8.684   2.669
   92   1HD   ARG  11          2HD       ARG  11  -6.323   6.862   2.437
   93   2HD   ARG  11          1HD       ARG  11  -5.054   5.670   2.222
   94    HE   ARG  11           HE       ARG  11  -5.421   7.197   4.772
   95   1HH1  ARG  11          2HH2      ARG  11  -3.001   5.437   4.217
   96   2HH1  ARG  11          1HH2      ARG  11  -3.462   3.964   5.007
   97   1HH2  ARG  11          1HH1      ARG  11  -6.830   4.901   5.222
   98   2HH2  ARG  11          2HH1      ARG  11  -5.687   3.650   5.588
   99    H    SER  12           H        SER  12  -2.327   8.021  -1.814
  100    HA   SER  12           HA       SER  12   0.117   9.163  -0.523
  101   1HB   SER  12          2HB       SER  12   0.044   8.067  -3.393
  102   2HB   SER  12          1HB       SER  12   1.447   8.634  -2.513
  103    HG   SER  12           HG       SER  12   0.345   6.212  -2.444
  104    H    ALA  13           H        ALA  13   1.054  10.786  -2.150
  105    HA   ALA  13           HA       ALA  13  -1.107  12.703  -2.872
  106   1HB   ALA  13          1HB       ALA  13   0.746  14.369  -2.883
  107   2HB   ALA  13          2HB       ALA  13   1.907  13.082  -2.587
  108   3HB   ALA  13          3HB       ALA  13   0.719  13.494  -1.360
  109    H    ASP  14           H        ASP  14   1.694  10.993  -4.111
  110    HA   ASP  14           HA       ASP  14   0.746  11.519  -6.897
  111   1HB   ASP  14          1HB       ASP  14   2.781  12.959  -6.196
  112   2HB   ASP  14          2HB       ASP  14   3.693  11.465  -6.070
  113    H    SER  15           H        SER  15   1.361   9.904  -8.400
  114    HA   SER  15           HA       SER  15   0.985   7.239  -7.486
  115   1HB   SER  15          2HB       SER  15   0.483   7.988  -9.838
  116   2HB   SER  15          1HB       SER  15   2.222   8.143 -10.144
  117    HG   SER  15           HG       SER  15   2.276   6.066 -10.370
  118    H    SER  16           H        SER  16   3.898   8.916  -8.555
  119    HA   SER  16           HA       SER  16   5.889   7.085  -8.536
  120   1HB   SER  16          2HB       SER  16   6.261   9.515  -8.895
  121   2HB   SER  16          1HB       SER  16   6.048   9.820  -7.165
  122    HG   SER  16           HG       SER  16   8.017   9.182  -6.901
  123    H    ASN  17           H        ASN  17   4.634   8.570  -5.585
  124    HA   ASN  17           HA       ASN  17   6.339   7.074  -3.791
  125   1HB   ASN  17          1HB       ASN  17   5.256   9.279  -3.231
  126   2HB   ASN  17          2HB       ASN  17   3.695   8.486  -3.202
  127   1HD2  ASN  17          1HD2      ASN  17   6.073   6.350  -1.950
  128   2HD2  ASN  17          2HD2      ASN  17   5.827   6.687  -0.305
  129    H    LEU  18           H        LEU  18   2.925   6.768  -4.723
  130    HA   LEU  18           HA       LEU  18   2.263   4.527  -3.171
  131   1HB   LEU  18          1HB       LEU  18   0.723   5.994  -4.699
  132   2HB   LEU  18          2HB       LEU  18   1.329   5.044  -6.053
  133    HG   LEU  18           HG       LEU  18   0.457   2.942  -4.809
  134   1HD1  LEU  18          1HD1      LEU  18  -0.993   5.109  -3.216
  135   2HD1  LEU  18          2HD1      LEU  18   0.260   4.065  -2.565
  136   3HD1  LEU  18          3HD1      LEU  18  -1.262   3.390  -3.083
  137   1HD2  LEU  18          1HD2      LEU  18  -1.555   5.045  -5.694
  138   2HD2  LEU  18          2HD2      LEU  18  -1.788   3.303  -5.660
  139   3HD2  LEU  18          3HD2      LEU  18  -0.641   4.002  -6.773
  140    H    LYS  19           H        LYS  19   3.711   4.657  -6.288
  141    HA   LYS  19           HA       LYS  19   3.831   1.857  -6.812
  142   1HB   LYS  19          1HB       LYS  19   4.266   3.479  -8.600
  143   2HB   LYS  19          2HB       LYS  19   5.494   4.296  -7.677
  144   1HG   LYS  19          2HG       LYS  19   5.885   1.453  -8.679
  145   2HG   LYS  19          1HG       LYS  19   6.238   2.849  -9.679
  146   1HD   LYS  19          2HD       LYS  19   7.707   3.664  -7.651
  147   2HD   LYS  19          1HD       LYS  19   7.587   2.009  -7.077
  148   1HE   LYS  19          2HE       LYS  19   9.634   2.283  -8.356
  149   2HE   LYS  19          1HE       LYS  19   8.560   1.157  -9.177
  150   1HZ   LYS  19          1HZ       LYS  19   8.599   2.453 -10.939
  151   2HZ   LYS  19          2HZ       LYS  19   9.663   3.518 -10.151
  152   3HZ   LYS  19          3HZ       LYS  19   7.986   3.762 -10.050
  153    H    THR  20           H        THR  20   6.367   3.980  -5.489
  154    HA   THR  20           HA       THR  20   8.263   2.104  -4.735
  155    HB   THR  20           HB       THR  20   7.355   4.596  -3.146
  156    HG1  THR  20           HG1      THR  20   7.895   5.097  -5.218
  157   1HG2  THR  20          1HG2      THR  20  10.092   3.197  -3.326
  158   2HG2  THR  20          2HG2      THR  20   9.051   3.055  -1.920
  159   3HG2  THR  20          3HG2      THR  20   9.711   4.618  -2.366
  160    H    HIS  21           H        HIS  21   5.468   3.181  -2.853
  161    HA   HIS  21           HA       HIS  21   5.684   1.529  -0.623
  162   1HB   HIS  21          1HB       HIS  21   4.049   3.206  -0.530
  163   2HB   HIS  21          2HB       HIS  21   3.372   2.848  -2.100
  164    HD1  HIS  21           HD1      HIS  21   3.311   1.532   1.389
  165    HD2  HIS  21           HD2      HIS  21   1.315   1.015  -2.133
  166    HE1  HIS  21           HE1      HIS  21   1.332   0.130   1.897
  167    H    ILE  22           H        ILE  22   3.652   0.765  -3.510
  168    HA   ILE  22           HA       ILE  22   2.966  -1.869  -2.872
  169    HB   ILE  22           HB       ILE  22   3.621  -0.655  -5.598
  170   1HG1  ILE  22          2HG1      ILE  22   0.917  -1.163  -4.274
  171   2HG1  ILE  22          1HG1      ILE  22   1.742   0.361  -4.106
  172   1HG2  ILE  22          1HG2      ILE  22   3.665  -3.155  -5.709
  173   2HG2  ILE  22          2HG2      ILE  22   2.257  -2.532  -6.532
  174   3HG2  ILE  22          3HG2      ILE  22   2.103  -3.219  -4.922
  175   1HD1  ILE  22          1HD1      ILE  22   0.857  -0.903  -6.736
  176   2HD1  ILE  22          2HD1      ILE  22   1.721   0.620  -6.600
  177   3HD1  ILE  22          3HD1      ILE  22   0.101   0.466  -5.940
  178    H    LYS  23           H        LYS  23   5.707  -1.002  -4.892
  179    HA   LYS  23           HA       LYS  23   6.910  -3.378  -5.422
  180   1HB   LYS  23          1HB       LYS  23   8.270  -0.791  -4.604
  181   2HB   LYS  23          2HB       LYS  23   9.117  -2.118  -5.353
  182   1HG   LYS  23          2HG       LYS  23   6.717  -0.688  -6.605
  183   2HG   LYS  23          1HG       LYS  23   8.378  -0.323  -6.991
  184   1HD   LYS  23          2HD       LYS  23   6.972  -3.004  -7.478
  185   2HD   LYS  23          1HD       LYS  23   7.333  -1.805  -8.692
  186   1HE   LYS  23          2HE       LYS  23   9.425  -3.324  -7.074
  187   2HE   LYS  23          1HE       LYS  23   9.004  -3.606  -8.750
  188   1HZ   LYS  23          1HZ       LYS  23  10.805  -1.753  -7.706
  189   2HZ   LYS  23          2HZ       LYS  23   9.567  -0.891  -8.471
  190   3HZ   LYS  23          3HZ       LYS  23  10.434  -2.068  -9.332
  191    H    THR  24           H        THR  24   7.352  -1.749  -2.324
  192    HA   THR  24           HA       THR  24   8.893  -4.112  -1.342
  193    HB   THR  24           HB       THR  24   8.758  -1.277  -0.197
  194    HG1  THR  24           HG1      THR  24  11.055  -2.149  -1.303
  195   1HG2  THR  24          1HG2      THR  24   9.559  -3.115   1.448
  196   2HG2  THR  24          2HG2      THR  24  10.825  -1.988   0.998
  197   3HG2  THR  24          3HG2      THR  24  10.759  -3.574   0.248
  198    H    LYS  25           H        LYS  25   5.949  -2.342  -0.587
  199    HA   LYS  25           HA       LYS  25   5.549  -3.705   1.965
  200   1HB   LYS  25          1HB       LYS  25   3.675  -1.858   0.398
  201   2HB   LYS  25          2HB       LYS  25   3.442  -2.403   2.050
  202   1HG   LYS  25          2HG       LYS  25   5.875  -0.800   1.183
  203   2HG   LYS  25          1HG       LYS  25   4.402  -0.067   1.772
  204   1HD   LYS  25          2HD       LYS  25   4.606  -1.325   3.910
  205   2HD   LYS  25          1HD       LYS  25   6.114  -2.032   3.343
  206   1HE   LYS  25          2HE       LYS  25   7.145   0.196   3.172
  207   2HE   LYS  25          1HE       LYS  25   5.628   0.961   3.635
  208   1HZ   LYS  25          1HZ       LYS  25   6.189   0.716   5.727
  209   2HZ   LYS  25          2HZ       LYS  25   7.648  -0.028   5.279
  210   3HZ   LYS  25          3HZ       LYS  25   6.263  -0.971   5.548
  211    H    HIS  26           H        HIS  26   4.481  -4.160  -1.332
  212    HA   HIS  26           HA       HIS  26   2.702  -6.373  -0.446
  213   1HB   HIS  26          1HB       HIS  26   2.480  -4.550  -2.851
  214   2HB   HIS  26          2HB       HIS  26   1.431  -5.921  -2.581
  215    HD1  HIS  26           HD1      HIS  26   0.704  -5.592   0.311
  216    HD2  HIS  26           HD2      HIS  26   1.022  -2.376  -2.191
  217    HE1  HIS  26           HE1      HIS  26  -0.645  -3.774   1.335
  218    H    SER  27           H        SER  27   4.859  -5.349  -2.935
  219    HA   SER  27           HA       SER  27   5.147  -8.142  -3.933
  220   1HB   SER  27          2HB       SER  27   5.814  -5.476  -5.276
  221   2HB   SER  27          1HB       SER  27   5.964  -7.067  -6.039
  222    HG   SER  27           HG       SER  27   3.760  -5.587  -5.601
  223    H    LYS  28           H        LYS  28   7.405  -8.024  -5.201
  224    HA   LYS  28           HA       LYS  28   9.503  -7.858  -3.083
  225   1HB   LYS  28          1HB       LYS  28   9.064 -10.105  -4.013
  226   2HB   LYS  28          2HB       LYS  28   9.340  -9.521  -5.644
  227   1HG   LYS  28          2HG       LYS  28  11.704  -8.930  -5.007
  228   2HG   LYS  28          1HG       LYS  28  11.417  -9.564  -3.401
  229   1HD   LYS  28          2HD       LYS  28  11.239 -11.177  -5.995
  230   2HD   LYS  28          1HD       LYS  28  12.601 -11.192  -4.901
  231   1HE   LYS  28          2HE       LYS  28  11.111 -12.095  -3.086
  232   2HE   LYS  28          1HE       LYS  28   9.770 -12.118  -4.223
  233   1HZ   LYS  28          1HZ       LYS  28  10.434 -14.051  -4.949
  234   2HZ   LYS  28          2HZ       LYS  28  11.726 -14.049  -3.846
  235   3HZ   LYS  28          3HZ       LYS  28  11.942 -13.413  -5.404
  236    H    GLU  29           H        GLU  29  10.332  -5.907  -3.260
  237    HA   GLU  29           HA       GLU  29  10.575  -4.168  -5.417
  238   1HB   GLU  29          1HB       GLU  29  11.280  -4.082  -2.793
  239   2HB   GLU  29          2HB       GLU  29  12.875  -4.328  -3.465
  240   1HG   GLU  29          2HG       GLU  29  10.975  -2.038  -4.139
  241   2HG   GLU  29          1HG       GLU  29  12.414  -1.933  -3.153
  242    H    LYS  30           H        LYS  30  12.302  -3.687  -6.883
  243    HA   LYS  30           HA       LYS  30  13.976  -6.060  -7.627
  244   1HB   LYS  30          1HB       LYS  30  13.275  -3.661  -9.360
  245   2HB   LYS  30          2HB       LYS  30  13.995  -5.168  -9.886
  246   1HG   LYS  30          2HG       LYS  30  11.174  -4.833  -8.809
  247   2HG   LYS  30          1HG       LYS  30  11.610  -5.070 -10.486
  248   1HD   LYS  30          2HD       LYS  30  12.648  -7.306  -9.836
  249   2HD   LYS  30          1HD       LYS  30  12.005  -7.075  -8.219
  250   1HE   LYS  30          2HE       LYS  30  10.328  -7.160 -10.762
  251   2HE   LYS  30          1HE       LYS  30  10.471  -8.459  -9.588
  252   1HZ   LYS  30          1HZ       LYS  30   9.789  -6.142  -8.203
  253   2HZ   LYS  30          2HZ       LYS  30   8.864  -7.544  -8.438
  254   3HZ   LYS  30          3HZ       LYS  30   8.755  -6.258  -9.546
  Start of MODEL   17
    1   1H    LYS   1          1H        LYS   1  -7.382  11.517  -5.780
    2   2H    LYS   1          2H        LYS   1  -8.391  12.609  -6.607
    3   3H    LYS   1          3H        LYS   1  -8.756  12.153  -5.016
    4    HA   LYS   1           HA       LYS   1  -7.143  14.278  -5.925
    5   1HB   LYS   1          2HB       LYS   1  -7.655  13.276  -3.071
    6   2HB   LYS   1          1HB       LYS   1  -7.201  14.904  -3.526
    7   1HG   LYS   1          2HG       LYS   1  -9.812  13.507  -4.254
    8   2HG   LYS   1          1HG       LYS   1  -9.620  14.771  -3.061
    9   1HD   LYS   1          2HD       LYS   1  -8.861  16.352  -4.876
   10   2HD   LYS   1          1HD       LYS   1  -9.126  15.093  -6.063
   11   1HE   LYS   1          2HE       LYS   1 -11.299  16.186  -4.237
   12   2HE   LYS   1          1HE       LYS   1 -11.083  16.610  -5.928
   13   1HZ   LYS   1          1HZ       LYS   1 -12.415  14.405  -4.847
   14   2HZ   LYS   1          2HZ       LYS   1 -11.092  13.832  -5.742
   15   3HZ   LYS   1          3HZ       LYS   1 -12.241  14.843  -6.476
   16    H    THR   2           H        THR   2  -6.465  11.487  -3.908
   17    HA   THR   2           HA       THR   2  -3.516  11.896  -4.271
   18    HB   THR   2           HB       THR   2  -3.325  10.477  -2.141
   19    HG1  THR   2           HG1      THR   2  -5.881  10.720  -1.420
   20   1HG2  THR   2          1HG2      THR   2  -5.325  12.791  -1.833
   21   2HG2  THR   2          2HG2      THR   2  -3.585  13.023  -1.927
   22   3HG2  THR   2          3HG2      THR   2  -4.285  12.150  -0.574
   23    H    TYR   3           H        TYR   3  -2.552   9.471  -3.805
   24    HA   TYR   3           HA       TYR   3  -3.834   7.735  -5.884
   25   1HB   TYR   3          1HB       TYR   3  -0.896   8.081  -5.138
   26   2HB   TYR   3          2HB       TYR   3  -1.478   6.839  -6.230
   27    HD1  TYR   3           HD1      TYR   3  -1.846  10.534  -5.729
   28    HD2  TYR   3           HD2      TYR   3  -1.426   7.369  -8.535
   29    HE1  TYR   3           HE1      TYR   3  -1.783  12.169  -7.540
   30    HE2  TYR   3           HE2      TYR   3  -1.366   9.013 -10.353
   31    HH   TYR   3           HH       TYR   3  -1.749  12.479  -9.732
   32    H    GLN   4           H        GLN   4  -5.147   6.707  -4.451
   33    HA   GLN   4           HA       GLN   4  -4.243   5.447  -2.050
   34   1HB   GLN   4          1HB       GLN   4  -6.644   4.968  -3.867
   35   2HB   GLN   4          2HB       GLN   4  -6.432   4.037  -2.404
   36   1HG   GLN   4          2HG       GLN   4  -6.535   7.095  -2.429
   37   2HG   GLN   4          1HG       GLN   4  -7.954   6.089  -2.197
   38   1HE2  GLN   4          2HE2      GLN   4  -6.941   4.063  -0.502
   39   2HE2  GLN   4          1HE2      GLN   4  -6.476   4.766   0.969
   40    H    CYS   5           H        CYS   5  -4.269   2.888  -1.824
   41    HA   CYS   5           HA       CYS   5  -2.538   1.927  -4.008
   42   1HB   CYS   5          1HB       CYS   5  -2.039   1.539  -1.608
   43   2HB   CYS   5          2HB       CYS   5  -3.486   0.540  -1.495
   44    H    GLN   6           H        GLN   6  -2.831   0.110  -5.156
   45    HA   GLN   6           HA       GLN   6  -5.683  -0.565  -5.762
   46   1HB   GLN   6          1HB       GLN   6  -4.076   0.393  -7.507
   47   2HB   GLN   6          2HB       GLN   6  -3.172  -1.102  -7.395
   48   1HG   GLN   6          2HG       GLN   6  -5.166  -2.386  -8.204
   49   2HG   GLN   6          1HG       GLN   6  -6.093  -0.891  -8.261
   50   1HE2  GLN   6          1HE2      GLN   6  -4.207  -2.936 -10.155
   51   2HE2  GLN   6          2HE2      GLN   6  -3.792  -1.838 -11.382
   52    H    TYR   7           H        TYR   7  -4.090  -1.595  -3.541
   53    HA   TYR   7           HA       TYR   7  -4.536  -4.497  -3.932
   54   1HB   TYR   7          1HB       TYR   7  -1.946  -3.223  -2.911
   55   2HB   TYR   7          2HB       TYR   7  -2.312  -4.926  -2.708
   56    HD1  TYR   7           HD1      TYR   7  -3.080  -6.171  -4.943
   57    HD2  TYR   7           HD2      TYR   7  -0.819  -2.568  -4.871
   58    HE1  TYR   7           HE1      TYR   7  -2.320  -6.606  -7.224
   59    HE2  TYR   7           HE2      TYR   7  -0.060  -3.013  -7.167
   60    HH   TYR   7           HH       TYR   7  -1.075  -5.927  -8.914
   61    H    CYS   8           H        CYS   8  -3.610  -1.948  -1.713
   62    HA   CYS   8           HA       CYS   8  -5.374  -3.142   0.403
   63   1HB   CYS   8          1HB       CYS   8  -3.823  -2.437   2.070
   64   2HB   CYS   8          2HB       CYS   8  -2.814  -3.053   0.777
   65    H    GLU   9           H        GLU   9  -5.191  -0.940   2.082
   66    HA   GLU   9           HA       GLU   9  -6.720   1.157   0.582
   67   1HB   GLU   9          1HB       GLU   9  -8.021  -0.295   2.218
   68   2HB   GLU   9          2HB       GLU   9  -7.007   0.350   3.506
   69   1HG   GLU   9          2HG       GLU   9  -7.836   2.667   2.984
   70   2HG   GLU   9          1HG       GLU   9  -8.820   2.014   1.691
   71    H1   HAC  10           H1       HAC  10  -1.169   4.098   2.682
   72   1H2   HAC  10          1H2       HAC  10  -0.078   4.407   0.440
   73   2H2   HAC  10          2H2       HAC  10   0.737   2.896   0.645
   74   1H3   HAC  10          1H3       HAC  10   1.528   5.521   1.617
   75   2H3   HAC  10          2H3       HAC  10   2.466   4.051   1.550
   76   1H4   HAC  10          1H4       HAC  10   2.375   4.699   3.859
   77   2H4   HAC  10          2H4       HAC  10   0.642   4.958   3.811
   78   1H5   HAC  10          1H5       HAC  10   2.041   2.271   3.445
   79   2H5   HAC  10          2H5       HAC  10   1.211   2.784   4.894
   80   1H6   HAC  10          1H6       HAC  10   0.023   1.335   2.848
   81   2H6   HAC  10          2H6       HAC  10  -0.837   2.243   4.066
   82   1H7   HAC  10          1H7       HAC  10  -1.617   2.606   0.283
   83   2H7   HAC  10          2H7       HAC  10  -1.861   1.460   1.548
   84    H8   HAC  10           H8       HAC  10  -3.279   3.322   2.699
   85   1HN8  HAC  10          1HN8      HAC  10  -4.144   1.548   0.443
   86    H    ARG  11           H        ARG  11  -2.198   5.329   2.054
   87    HA   ARG  11           HA       ARG  11  -3.357   6.648  -0.373
   88   1HB   ARG  11          1HB       ARG  11  -4.321   7.338   1.889
   89   2HB   ARG  11          2HB       ARG  11  -2.724   7.884   2.340
   90   1HG   ARG  11          2HG       ARG  11  -2.816   9.376   0.204
   91   2HG   ARG  11          1HG       ARG  11  -4.528   8.986   0.161
   92   1HD   ARG  11          2HD       ARG  11  -3.064  10.339   2.465
   93   2HD   ARG  11          1HD       ARG  11  -4.238  11.085   1.387
   94    HE   ARG  11           HE       ARG  11  -4.959   8.831   3.224
   95   1HH1  ARG  11          1HH1      ARG  11  -6.713  10.122   0.996
   96   2HH1  ARG  11          2HH1      ARG  11  -7.768  11.092   1.970
   97   1HH2  ARG  11          1HH2      ARG  11  -5.747  10.799   4.812
   98   2HH2  ARG  11          2HH2      ARG  11  -7.213  11.477   4.185
   99    H    SER  12           H        SER  12  -1.832   7.847  -1.570
  100    HA   SER  12           HA       SER  12   0.987   7.772  -0.530
  101   1HB   SER  12          2HB       SER  12   0.130   7.580  -3.446
  102   2HB   SER  12          1HB       SER  12   1.745   7.419  -2.804
  103    HG   SER  12           HG       SER  12  -0.450   5.795  -2.641
  104    H    ALA  13           H        ALA  13  -0.909   9.477  -2.966
  105    HA   ALA  13           HA       ALA  13  -1.326  11.922  -2.782
  106   1HB   ALA  13          1HB       ALA  13   1.708  12.067  -2.309
  107   2HB   ALA  13          2HB       ALA  13   0.471  12.423  -1.103
  108   3HB   ALA  13          3HB       ALA  13   0.639  13.442  -2.517
  109    H    ASP  14           H        ASP  14   1.535  10.386  -4.169
  110    HA   ASP  14           HA       ASP  14   0.721  11.399  -6.867
  111   1HB   ASP  14          1HB       ASP  14   2.681  12.709  -5.870
  112   2HB   ASP  14          2HB       ASP  14   3.604  11.214  -5.900
  113    H    SER  15           H        SER  15   1.322   9.994  -8.581
  114    HA   SER  15           HA       SER  15   1.004   7.230  -8.098
  115   1HB   SER  15          2HB       SER  15   1.837   6.969 -10.521
  116   2HB   SER  15          1HB       SER  15   0.663   8.279 -10.391
  117    HG   SER  15           HG       SER  15   3.245   8.406 -11.062
  118    H    SER  16           H        SER  16   3.871   8.995  -8.892
  119    HA   SER  16           HA       SER  16   5.902   7.199  -8.919
  120   1HB   SER  16          2HB       SER  16   5.989   9.931  -7.532
  121   2HB   SER  16          1HB       SER  16   7.356   9.089  -8.278
  122    HG   SER  16           HG       SER  16   5.031   9.419  -9.815
  123    H    ASN  17           H        ASN  17   4.481   8.575  -6.015
  124    HA   ASN  17           HA       ASN  17   6.197   7.040  -4.219
  125   1HB   ASN  17          1HB       ASN  17   3.752   8.774  -3.664
  126   2HB   ASN  17          2HB       ASN  17   4.809   8.102  -2.428
  127   1HD2  ASN  17          1HD2      ASN  17   4.302  10.885  -4.184
  128   2HD2  ASN  17          2HD2      ASN  17   5.874  11.532  -4.131
  129    H    LEU  18           H        LEU  18   2.731   6.865  -5.156
  130    HA   LEU  18           HA       LEU  18   2.060   4.766  -3.382
  131   1HB   LEU  18          1HB       LEU  18   0.272   5.950  -4.721
  132   2HB   LEU  18          2HB       LEU  18   1.008   5.405  -6.212
  133    HG   LEU  18           HG       LEU  18  -1.145   4.115  -5.322
  134   1HD1  LEU  18          1HD2      LEU  18   1.192   2.534  -6.258
  135   2HD1  LEU  18          2HD2      LEU  18   0.074   3.461  -7.232
  136   3HD1  LEU  18          3HD2      LEU  18  -0.514   2.122  -6.288
  137   1HD2  LEU  18          1HD1      LEU  18  -0.668   2.269  -3.775
  138   2HD2  LEU  18          2HD1      LEU  18  -0.582   3.846  -3.017
  139   3HD2  LEU  18          3HD1      LEU  18   0.873   2.958  -3.399
  140    H    LYS  19           H        LYS  19   3.408   4.647  -6.610
  141    HA   LYS  19           HA       LYS  19   3.466   1.815  -6.859
  142   1HB   LYS  19          1HB       LYS  19   4.060   3.600  -8.660
  143   2HB   LYS  19          2HB       LYS  19   5.632   3.736  -7.888
  144   1HG   LYS  19          2HG       LYS  19   6.107   1.368  -8.284
  145   2HG   LYS  19          1HG       LYS  19   4.482   1.099  -8.891
  146   1HD   LYS  19          2HD       LYS  19   4.921   2.707 -10.755
  147   2HD   LYS  19          1HD       LYS  19   6.570   2.905 -10.192
  148   1HE   LYS  19          2HE       LYS  19   5.322   0.259 -11.084
  149   2HE   LYS  19          1HE       LYS  19   6.421   1.238 -12.039
  150   1HZ   LYS  19          1HZ       LYS  19   8.093   0.225 -11.073
  151   2HZ   LYS  19          2HZ       LYS  19   7.037  -0.682 -10.103
  152   3HZ   LYS  19          3HZ       LYS  19   7.613   0.818  -9.556
  153    H    THR  20           H        THR  20   6.011   4.015  -5.612
  154    HA   THR  20           HA       THR  20   7.884   2.146  -4.769
  155    HB   THR  20           HB       THR  20   7.027   4.566  -3.054
  156    HG1  THR  20           HG1      THR  20   9.093   4.972  -4.664
  157   1HG2  THR  20          1HG2      THR  20   8.824   2.952  -2.093
  158   2HG2  THR  20          2HG2      THR  20   9.423   4.569  -2.435
  159   3HG2  THR  20          3HG2      THR  20   9.768   3.249  -3.541
  160    H    HIS  21           H        HIS  21   5.135   3.320  -2.864
  161    HA   HIS  21           HA       HIS  21   5.303   1.738  -0.589
  162   1HB   HIS  21          1HB       HIS  21   3.555   3.315  -0.530
  163   2HB   HIS  21          2HB       HIS  21   2.911   2.874  -2.091
  164    HD1  HIS  21           HD1      HIS  21   3.112   1.383   1.367
  165    HD2  HIS  21           HD2      HIS  21   0.905   1.010  -2.043
  166    HE1  HIS  21           HE1      HIS  21   1.265  -0.179   1.892
  167    H    ILE  22           H        ILE  22   3.499   0.862  -3.534
  168    HA   ILE  22           HA       ILE  22   2.820  -1.766  -2.703
  169    HB   ILE  22           HB       ILE  22   3.201  -0.568  -5.498
  170   1HG1  ILE  22          2HG1      ILE  22   0.729  -1.070  -3.759
  171   2HG1  ILE  22          1HG1      ILE  22   1.494   0.483  -3.931
  172   1HG2  ILE  22          1HG2      ILE  22   1.843  -2.466  -6.323
  173   2HG2  ILE  22          2HG2      ILE  22   1.745  -3.134  -4.698
  174   3HG2  ILE  22          3HG2      ILE  22   3.277  -3.095  -5.554
  175   1HD1  ILE  22          1HD1      ILE  22   0.965   0.440  -6.385
  176   2HD1  ILE  22          2HD1      ILE  22  -0.478   0.330  -5.370
  177   3HD1  ILE  22          3HD1      ILE  22   0.155  -1.090  -6.160
  178    H    LYS  23           H        LYS  23   5.648  -0.547  -4.356
  179    HA   LYS  23           HA       LYS  23   6.876  -3.151  -4.739
  180   1HB   LYS  23          1HB       LYS  23   7.110  -1.167  -6.261
  181   2HB   LYS  23          2HB       LYS  23   8.029  -0.354  -5.013
  182   1HG   LYS  23          2HG       LYS  23   9.846  -1.910  -5.180
  183   2HG   LYS  23          1HG       LYS  23   8.882  -3.063  -6.078
  184   1HD   LYS  23          2HD       LYS  23  10.443  -1.958  -7.601
  185   2HD   LYS  23          1HD       LYS  23   8.818  -1.481  -8.014
  186   1HE   LYS  23          2HE       LYS  23  10.609   0.230  -6.248
  187   2HE   LYS  23          1HE       LYS  23  10.573   0.390  -7.997
  188   1HZ   LYS  23          1HZ       LYS  23   8.857   1.511  -6.127
  189   2HZ   LYS  23          2HZ       LYS  23   7.938   0.426  -7.057
  190   3HZ   LYS  23          3HZ       LYS  23   8.815   1.666  -7.814
  191    H    THR  24           H        THR  24   6.372  -1.538  -1.981
  192    HA   THR  24           HA       THR  24   8.939  -2.388  -0.690
  193    HB   THR  24           HB       THR  24   7.133  -0.020   0.034
  194    HG1  THR  24           HG1      THR  24   8.369   0.320  -1.711
  195   1HG2  THR  24          1HG2      THR  24   8.948   0.542   1.631
  196   2HG2  THR  24          2HG2      THR  24   9.883  -0.861   1.140
  197   3HG2  THR  24          3HG2      THR  24   8.401  -1.070   2.060
  198    H    LYS  25           H        LYS  25   5.474  -2.065  -0.132
  199    HA   LYS  25           HA       LYS  25   5.617  -3.891   2.197
  200   1HB   LYS  25          1HB       LYS  25   3.408  -2.042   1.249
  201   2HB   LYS  25          2HB       LYS  25   3.255  -3.128   2.626
  202   1HG   LYS  25          2HG       LYS  25   5.320  -0.911   2.397
  203   2HG   LYS  25          1HG       LYS  25   3.813  -0.813   3.295
  204   1HD   LYS  25          2HD       LYS  25   4.607  -2.876   4.623
  205   2HD   LYS  25          1HD       LYS  25   6.162  -2.687   3.834
  206   1HE   LYS  25          2HE       LYS  25   6.228  -1.588   6.010
  207   2HE   LYS  25          1HE       LYS  25   6.331  -0.363   4.757
  208   1HZ   LYS  25          1HZ       LYS  25   4.537   0.583   5.580
  209   2HZ   LYS  25          2HZ       LYS  25   4.452  -0.599   6.794
  210   3HZ   LYS  25          3HZ       LYS  25   3.631  -0.831   5.326
  211    H    HIS  26           H        HIS  26   4.268  -3.879  -1.041
  212    HA   HIS  26           HA       HIS  26   2.728  -6.340  -0.371
  213   1HB   HIS  26          1HB       HIS  26   2.655  -4.501  -2.781
  214   2HB   HIS  26          2HB       HIS  26   1.694  -5.954  -2.676
  215    HD1  HIS  26           HD1      HIS  26   0.489  -5.836   0.016
  216    HD2  HIS  26           HD2      HIS  26   1.065  -2.394  -2.115
  217    HE1  HIS  26           HE1      HIS  26  -1.060  -4.148   0.968
  218    H    SER  27           H        SER  27   4.820  -5.210  -2.912
  219    HA   SER  27           HA       SER  27   6.022  -7.887  -3.197
  220   1HB   SER  27          2HB       SER  27   6.010  -7.375  -5.750
  221   2HB   SER  27          1HB       SER  27   4.373  -7.553  -5.110
  222    HG   SER  27           HG       SER  27   5.061  -5.061  -4.636
  223    H    LYS  28           H        LYS  28   9.018  -6.195  -3.816
  224    HA   LYS  28           HA       LYS  28   7.416  -8.681  -4.327
  225   1HB   LYS  28          1HB       LYS  28   8.183  -7.653  -6.441
  226   2HB   LYS  28          2HB       LYS  28   9.826  -7.626  -5.833
  227   1HG   LYS  28          2HG       LYS  28   9.877 -10.091  -5.730
  228   2HG   LYS  28          1HG       LYS  28   8.182 -10.180  -6.147
  229   1HD   LYS  28          2HD       LYS  28   9.636 -10.716  -8.082
  230   2HD   LYS  28          1HD       LYS  28   8.653  -9.305  -8.404
  231   1HE   LYS  28          2HE       LYS  28  11.498  -9.036  -7.360
  232   2HE   LYS  28          1HE       LYS  28  11.155  -9.169  -9.078
  233   1HZ   LYS  28          1HZ       LYS  28  10.692  -7.044  -9.113
  234   2HZ   LYS  28          2HZ       LYS  28  10.989  -6.913  -7.444
  235   3HZ   LYS  28          3HZ       LYS  28   9.424  -7.268  -8.006
  236    H    GLU  29           H        GLU  29  10.783  -7.882  -4.187
  237    HA   GLU  29           HA       GLU  29  11.170  -9.735  -1.871
  238   1HB   GLU  29          1HB       GLU  29  11.856 -10.827  -4.016
  239   2HB   GLU  29          2HB       GLU  29  12.986  -9.521  -4.320
  240   1HG   GLU  29          2HG       GLU  29  14.208 -10.075  -2.208
  241   2HG   GLU  29          1HG       GLU  29  13.032 -11.327  -1.849
  242    H    LYS  30           H        LYS  30  12.726  -7.222  -3.832
  243    HA   LYS  30           HA       LYS  30  13.962  -6.097  -1.340
  244   1HB   LYS  30          1HB       LYS  30  15.743  -5.191  -2.803
  245   2HB   LYS  30          2HB       LYS  30  15.651  -6.933  -2.928
  246   1HG   LYS  30          2HG       LYS  30  14.460  -6.797  -5.057
  247   2HG   LYS  30          1HG       LYS  30  14.311  -5.054  -4.924
  248   1HD   LYS  30          2HD       LYS  30  16.813  -4.863  -4.960
  249   2HD   LYS  30          1HD       LYS  30  16.932  -6.603  -5.153
  250   1HE   LYS  30          2HE       LYS  30  15.670  -6.446  -7.308
  251   2HE   LYS  30          1HE       LYS  30  15.525  -4.707  -7.101
  252   1HZ   LYS  30          1HZ       LYS  30  18.217  -5.403  -6.807
  253   2HZ   LYS  30          2HZ       LYS  30  17.491  -4.459  -8.017
  254   3HZ   LYS  30          3HZ       LYS  30  17.630  -6.139  -8.221
  Start of MODEL   18
    1   1H    LYS   1          1H        LYS   1  -5.406  15.334  -2.606
    2   2H    LYS   1          2H        LYS   1  -6.878  15.920  -3.223
    3   3H    LYS   1          3H        LYS   1  -5.432  16.752  -3.543
    4    HA   LYS   1           HA       LYS   1  -6.641  14.697  -5.010
    5   1HB   LYS   1          2HB       LYS   1  -5.433  16.764  -5.873
    6   2HB   LYS   1          1HB       LYS   1  -3.912  16.040  -5.394
    7   1HG   LYS   1          2HG       LYS   1  -4.467  14.051  -6.893
    8   2HG   LYS   1          1HG       LYS   1  -5.920  14.881  -7.402
    9   1HD   LYS   1          2HD       LYS   1  -4.359  15.397  -9.105
   10   2HD   LYS   1          1HD       LYS   1  -4.319  16.830  -8.095
   11   1HE   LYS   1          2HE       LYS   1  -2.008  16.171  -8.582
   12   2HE   LYS   1          1HE       LYS   1  -2.302  15.830  -6.884
   13   1HZ   LYS   1          1HZ       LYS   1  -1.530  14.066  -8.892
   14   2HZ   LYS   1          2HZ       LYS   1  -3.084  13.610  -8.408
   15   3HZ   LYS   1          3HZ       LYS   1  -1.838  13.699  -7.268
   16    H    THR   2           H        THR   2  -6.458  12.959  -3.404
   17    HA   THR   2           HA       THR   2  -3.791  11.601  -3.544
   18    HB   THR   2           HB       THR   2  -4.422  10.478  -1.360
   19    HG1  THR   2           HG1      THR   2  -6.477  10.514  -0.969
   20   1HG2  THR   2          1HG2      THR   2  -4.391  12.489   0.100
   21   2HG2  THR   2          2HG2      THR   2  -4.895  13.513  -1.232
   22   3HG2  THR   2          3HG2      THR   2  -3.303  12.775  -1.247
   23    H    TYR   3           H        TYR   3  -3.748   9.459  -3.693
   24    HA   TYR   3           HA       TYR   3  -6.126   8.058  -4.888
   25   1HB   TYR   3          1HB       TYR   3  -3.204   7.681  -5.725
   26   2HB   TYR   3          2HB       TYR   3  -4.621   7.040  -6.538
   27    HD1  TYR   3           HD1      TYR   3  -6.457   8.970  -7.101
   28    HD2  TYR   3           HD2      TYR   3  -2.267   9.631  -6.684
   29    HE1  TYR   3           HE1      TYR   3  -6.647  11.020  -8.422
   30    HE2  TYR   3           HE2      TYR   3  -2.461  11.677  -8.007
   31    HH   TYR   3           HH       TYR   3  -5.615  12.801  -9.215
   32    H    GLN   4           H        GLN   4  -6.285   5.838  -4.277
   33    HA   GLN   4           HA       GLN   4  -4.760   5.167  -1.819
   34   1HB   GLN   4          1HB       GLN   4  -7.208   3.900  -3.110
   35   2HB   GLN   4          2HB       GLN   4  -6.438   3.223  -1.697
   36   1HG   GLN   4          2HG       GLN   4  -7.520   6.058  -1.746
   37   2HG   GLN   4          1HG       GLN   4  -8.500   4.684  -1.267
   38   1HE2  GLN   4          2HE2      GLN   4  -5.172   4.348  -0.287
   39   2HE2  GLN   4          1HE2      GLN   4  -5.409   4.814   1.322
   40    H    CYS   5           H        CYS   5  -4.179   2.697  -1.591
   41    HA   CYS   5           HA       CYS   5  -2.474   2.071  -3.865
   42   1HB   CYS   5          1HB       CYS   5  -1.842   1.704  -1.530
   43   2HB   CYS   5          2HB       CYS   5  -3.132   0.521  -1.352
   44    H    GLN   6           H        GLN   6  -2.449  -0.162  -4.724
   45    HA   GLN   6           HA       GLN   6  -5.218  -0.969  -5.523
   46   1HB   GLN   6          1HB       GLN   6  -4.095  -1.916  -7.540
   47   2HB   GLN   6          2HB       GLN   6  -3.817  -0.205  -7.335
   48   1HG   GLN   6          2HG       GLN   6  -1.595  -0.614  -7.512
   49   2HG   GLN   6          1HG       GLN   6  -1.639  -1.405  -5.948
   50   1HE2  GLN   6          1HE2      GLN   6  -0.491  -1.929  -8.925
   51   2HE2  GLN   6          2HE2      GLN   6  -0.667  -3.612  -9.042
   52    H    TYR   7           H        TYR   7  -3.386  -1.845  -3.231
   53    HA   TYR   7           HA       TYR   7  -3.974  -4.772  -3.379
   54   1HB   TYR   7          1HB       TYR   7  -1.472  -3.336  -2.484
   55   2HB   TYR   7          2HB       TYR   7  -1.872  -4.907  -1.803
   56    HD1  TYR   7           HD1      TYR   7  -2.343  -6.815  -3.435
   57    HD2  TYR   7           HD2      TYR   7  -0.310  -3.252  -4.578
   58    HE1  TYR   7           HE1      TYR   7  -1.377  -7.985  -5.355
   59    HE2  TYR   7           HE2      TYR   7   0.658  -4.423  -6.501
   60    HH   TYR   7           HH       TYR   7   0.447  -7.840  -6.846
   61    H    CYS   8           H        CYS   8  -3.155  -2.007  -1.432
   62    HA   CYS   8           HA       CYS   8  -5.025  -2.881   0.738
   63   1HB   CYS   8          1HB       CYS   8  -3.496  -2.016   2.354
   64   2HB   CYS   8          2HB       CYS   8  -2.480  -2.772   1.162
   65    H    GLU   9           H        GLU   9  -4.877  -0.488   2.115
   66    HA   GLU   9           HA       GLU   9  -6.241   1.442   0.259
   67   1HB   GLU   9          1HB       GLU   9  -7.703   0.196   1.968
   68   2HB   GLU   9          2HB       GLU   9  -6.841   1.067   3.229
   69   1HG   GLU   9          2HG       GLU   9  -7.525   3.246   2.090
   70   2HG   GLU   9          1HG       GLU   9  -8.466   2.299   0.956
   71    H1   HAC  10           H1       HAC  10  -0.797   4.626   2.244
   72   1H2   HAC  10          1H2       HAC  10   0.038   4.645  -0.115
   73   2H2   HAC  10          2H2       HAC  10   1.070   3.273   0.221
   74   1H3   HAC  10          1H3       HAC  10   1.257   6.019   1.534
   75   2H3   HAC  10          2H3       HAC  10   2.362   5.375   0.332
   76   1H4   HAC  10          1H4       HAC  10   3.029   3.574   1.893
   77   2H4   HAC  10          2H4       HAC  10   3.267   5.136   2.651
   78   1H5   HAC  10          1H5       HAC  10   2.179   3.546   4.214
   79   2H5   HAC  10          2H5       HAC  10   1.144   4.924   3.884
   80   1H6   HAC  10          1H6       HAC  10   0.944   2.165   2.604
   81   2H6   HAC  10          2H6       HAC  10  -0.174   2.830   3.777
   82   1H7   HAC  10          1H7       HAC  10  -1.208   2.512   0.253
   83   2H7   HAC  10          2H7       HAC  10  -1.487   1.833   1.812
   84    H8   HAC  10           H8       HAC  10  -2.936   3.816   2.360
   85   1HN8  HAC  10          1HN8      HAC  10  -3.696   1.775   0.284
   86    H    ARG  11           H        ARG  11  -2.759   5.917   1.725
   87    HA   ARG  11           HA       ARG  11  -2.725   6.428  -1.195
   88   1HB   ARG  11          1HB       ARG  11  -4.110   8.527  -0.645
   89   2HB   ARG  11          2HB       ARG  11  -4.941   7.007  -0.441
   90   1HG   ARG  11          2HG       ARG  11  -4.192   7.135   2.065
   91   2HG   ARG  11          1HG       ARG  11  -3.744   8.790   1.708
   92   1HD   ARG  11          2HD       ARG  11  -6.537   7.859   1.015
   93   2HD   ARG  11          1HD       ARG  11  -6.154   8.209   2.689
   94    HE   ARG  11           HE       ARG  11  -6.013  10.230   0.467
   95   1HH1  ARG  11          2HH2      ARG  11  -4.321  10.858   2.774
   96   2HH1  ARG  11          1HH2      ARG  11  -5.380  11.745   3.820
   97   1HH2  ARG  11          2HH1      ARG  11  -8.259  10.626   2.156
   98   2HH2  ARG  11          1HH1      ARG  11  -7.679  11.609   3.459
   99    H    SER  12           H        SER  12  -1.878   8.038  -2.024
  100    HA   SER  12           HA       SER  12   0.103   9.726  -0.554
  101   1HB   SER  12          2HB       SER  12   0.609   8.349  -3.261
  102   2HB   SER  12          1HB       SER  12   1.755   9.337  -2.371
  103    HG   SER  12           HG       SER  12   1.300   6.758  -2.077
  104    H    ALA  13           H        ALA  13   0.840  11.480  -2.265
  105    HA   ALA  13           HA       ALA  13  -1.658  12.704  -3.309
  106   1HB   ALA  13          1HB       ALA  13   1.144  13.863  -3.018
  107   2HB   ALA  13          2HB       ALA  13  -0.161  14.077  -1.863
  108   3HB   ALA  13          3HB       ALA  13  -0.291  14.768  -3.470
  109    H    ASP  14           H        ASP  14   1.418  11.454  -4.300
  110    HA   ASP  14           HA       ASP  14   0.716  11.842  -7.190
  111   1HB   ASP  14          1HB       ASP  14   2.726  13.138  -6.270
  112   2HB   ASP  14          2HB       ASP  14   3.504  11.591  -5.957
  113    H    SER  15           H        SER  15   2.175  10.090  -8.438
  114    HA   SER  15           HA       SER  15   1.258   7.453  -7.464
  115   1HB   SER  15          2HB       SER  15   0.826   8.126  -9.885
  116   2HB   SER  15          1HB       SER  15   2.567   8.285 -10.131
  117    HG   SER  15           HG       SER  15   1.091   6.093 -10.221
  118    H    SER  16           H        SER  16   4.270   8.973  -8.485
  119    HA   SER  16           HA       SER  16   6.204   7.104  -8.364
  120   1HB   SER  16          2HB       SER  16   6.313   9.767  -6.879
  121   2HB   SER  16          1HB       SER  16   7.720   8.848  -7.451
  122    HG   SER  16           HG       SER  16   5.699  10.128  -8.852
  123    H    ASN  17           H        ASN  17   5.028   8.633  -5.437
  124    HA   ASN  17           HA       ASN  17   6.466   7.068  -3.555
  125   1HB   ASN  17          1HB       ASN  17   3.800   8.500  -3.178
  126   2HB   ASN  17          2HB       ASN  17   4.927   8.049  -1.900
  127   1HD2  ASN  17          2HD2      ASN  17   4.069  10.568  -3.984
  128   2HD2  ASN  17          1HD2      ASN  17   5.500  11.477  -3.876
  129    H    LEU  18           H        LEU  18   3.069   6.767  -4.609
  130    HA   LEU  18           HA       LEU  18   2.438   4.507  -3.053
  131   1HB   LEU  18          1HB       LEU  18   0.887   6.055  -4.461
  132   2HB   LEU  18          2HB       LEU  18   1.407   5.147  -5.878
  133    HG   LEU  18           HG       LEU  18   0.436   3.057  -4.850
  134   1HD1  LEU  18          1HD1      LEU  18  -0.600   5.037  -2.753
  135   2HD1  LEU  18          2HD1      LEU  18   0.580   3.778  -2.437
  136   3HD1  LEU  18          3HD1      LEU  18  -1.059   3.351  -2.869
  137   1HD2  LEU  18          1HD2      LEU  18  -1.469   5.432  -5.093
  138   2HD2  LEU  18          2HD2      LEU  18  -1.907   3.737  -5.258
  139   3HD2  LEU  18          3HD2      LEU  18  -0.856   4.487  -6.442
  140    H    LYS  19           H        LYS  19   3.857   4.716  -6.206
  141    HA   LYS  19           HA       LYS  19   3.953   1.938  -6.816
  142   1HB   LYS  19          1HB       LYS  19   4.460   3.723  -8.503
  143   2HB   LYS  19          2HB       LYS  19   5.797   4.297  -7.542
  144   1HG   LYS  19          2HG       LYS  19   6.992   2.117  -7.972
  145   2HG   LYS  19          1HG       LYS  19   5.670   1.655  -9.041
  146   1HD   LYS  19          2HD       LYS  19   6.077   3.732 -10.404
  147   2HD   LYS  19          1HD       LYS  19   7.382   4.179  -9.317
  148   1HE   LYS  19          2HE       LYS  19   8.638   2.145  -9.944
  149   2HE   LYS  19          1HE       LYS  19   7.331   1.661 -11.023
  150   1HZ   LYS  19          1HZ       LYS  19   8.208   2.912 -12.579
  151   2HZ   LYS  19          2HZ       LYS  19   9.460   3.393 -11.535
  152   3HZ   LYS  19          3HZ       LYS  19   8.026   4.297 -11.617
  153    H    THR  20           H        THR  20   6.507   3.985  -5.423
  154    HA   THR  20           HA       THR  20   8.384   2.060  -4.741
  155    HB   THR  20           HB       THR  20   7.550   4.434  -2.935
  156    HG1  THR  20           HG1      THR  20   9.318   4.115  -5.139
  157   1HG2  THR  20          1HG2      THR  20  10.274   3.072  -3.390
  158   2HG2  THR  20          2HG2      THR  20   9.308   2.809  -1.946
  159   3HG2  THR  20          3HG2      THR  20   9.951   4.404  -2.297
  160    H    HIS  21           H        HIS  21   5.609   3.118  -2.789
  161    HA   HIS  21           HA       HIS  21   5.819   1.369  -0.635
  162   1HB   HIS  21          1HB       HIS  21   4.229   3.100  -0.468
  163   2HB   HIS  21          2HB       HIS  21   3.482   2.748  -2.009
  164    HD1  HIS  21           HD1      HIS  21   3.619   1.276   1.446
  165    HD2  HIS  21           HD2      HIS  21   1.394   1.027  -1.967
  166    HE1  HIS  21           HE1      HIS  21   1.643  -0.113   2.002
  167    H    ILE  22           H        ILE  22   3.766   0.752  -3.540
  168    HA   ILE  22           HA       ILE  22   2.943  -1.860  -2.920
  169    HB   ILE  22           HB       ILE  22   3.671  -0.624  -5.620
  170   1HG1  ILE  22          2HG1      ILE  22   0.933  -1.097  -4.348
  171   2HG1  ILE  22          1HG1      ILE  22   1.804   0.399  -4.131
  172   1HG2  ILE  22          1HG2      ILE  22   3.649  -3.117  -5.823
  173   2HG2  ILE  22          2HG2      ILE  22   2.258  -2.438  -6.629
  174   3HG2  ILE  22          3HG2      ILE  22   2.079  -3.179  -5.050
  175   1HD1  ILE  22          1HD1      ILE  22   0.202   0.607  -5.983
  176   2HD1  ILE  22          2HD1      ILE  22   0.923  -0.761  -6.812
  177   3HD1  ILE  22          3HD1      ILE  22   1.838   0.727  -6.609
  178    H    LYS  23           H        LYS  23   5.779  -0.945  -4.753
  179    HA   LYS  23           HA       LYS  23   6.921  -3.383  -5.268
  180   1HB   LYS  23          1HB       LYS  23   7.714  -0.967  -5.880
  181   2HB   LYS  23          2HB       LYS  23   8.617  -1.029  -4.380
  182   1HG   LYS  23          2HG       LYS  23  10.124  -1.739  -6.107
  183   2HG   LYS  23          1HG       LYS  23   9.715  -3.168  -5.177
  184   1HD   LYS  23          2HD       LYS  23   7.970  -3.752  -6.945
  185   2HD   LYS  23          1HD       LYS  23   8.486  -2.347  -7.855
  186   1HE   LYS  23          2HE       LYS  23   9.573  -4.358  -8.740
  187   2HE   LYS  23          1HE       LYS  23  10.787  -3.322  -7.995
  188   1HZ   LYS  23          1HZ       LYS  23  11.343  -4.978  -6.693
  189   2HZ   LYS  23          2HZ       LYS  23  10.159  -5.970  -7.399
  190   3HZ   LYS  23          3HZ       LYS  23   9.783  -5.040  -6.029
  191    H    THR  24           H        THR  24   7.193  -1.686  -2.180
  192    HA   THR  24           HA       THR  24   8.882  -3.892  -1.127
  193    HB   THR  24           HB       THR  24   9.764  -1.629  -0.804
  194    HG1  THR  24           HG1      THR  24  10.385  -2.336   1.051
  195   1HG2  THR  24          1HG2      THR  24   7.297  -1.122   0.951
  196   2HG2  THR  24          2HG2      THR  24   7.540  -0.371  -0.616
  197   3HG2  THR  24          3HG2      THR  24   8.642  -0.025   0.702
  198    H    LYS  25           H        LYS  25   5.714  -2.505  -0.476
  199    HA   LYS  25           HA       LYS  25   5.340  -4.221   1.882
  200   1HB   LYS  25          1HB       LYS  25   3.862  -1.906   0.662
  201   2HB   LYS  25          2HB       LYS  25   3.014  -2.898   1.825
  202   1HG   LYS  25          2HG       LYS  25   5.652  -1.430   2.283
  203   2HG   LYS  25          1HG       LYS  25   4.091  -0.886   2.835
  204   1HD   LYS  25          2HD       LYS  25   5.575  -3.386   3.793
  205   2HD   LYS  25          1HD       LYS  25   5.342  -1.899   4.672
  206   1HE   LYS  25          2HE       LYS  25   3.731  -3.462   5.549
  207   2HE   LYS  25          1HE       LYS  25   2.825  -2.304   4.593
  208   1HZ   LYS  25          1HZ       LYS  25   2.931  -5.070   4.322
  209   2HZ   LYS  25          2HZ       LYS  25   3.646  -4.407   2.935
  210   3HZ   LYS  25          3HZ       LYS  25   2.073  -3.952   3.375
  211    H    HIS  26           H        HIS  26   4.326  -4.306  -1.454
  212    HA   HIS  26           HA       HIS  26   2.444  -6.510  -0.769
  213   1HB   HIS  26          1HB       HIS  26   2.380  -4.535  -3.060
  214   2HB   HIS  26          2HB       HIS  26   1.263  -5.867  -2.902
  215    HD1  HIS  26           HD1      HIS  26   0.391  -5.733  -0.061
  216    HD2  HIS  26           HD2      HIS  26   1.113  -2.312  -2.170
  217    HE1  HIS  26           HE1      HIS  26  -0.855  -3.907   1.103
  218    H    SER  27           H        SER  27   4.737  -5.463  -3.145
  219    HA   SER  27           HA       SER  27   5.038  -8.285  -4.087
  220   1HB   SER  27          2HB       SER  27   4.138  -6.602  -5.770
  221   2HB   SER  27          1HB       SER  27   5.666  -5.726  -5.650
  222    HG   SER  27           HG       SER  27   6.564  -7.195  -6.805
  223    H    LYS  28           H        LYS  28   7.128  -8.434  -5.241
  224    HA   LYS  28           HA       LYS  28   9.270  -9.177  -3.964
  225   1HB   LYS  28          1HB       LYS  28   9.205  -9.153  -6.332
  226   2HB   LYS  28          2HB       LYS  28   9.345  -7.410  -6.411
  227   1HG   LYS  28          2HG       LYS  28  11.657  -7.617  -5.333
  228   2HG   LYS  28          1HG       LYS  28  11.483  -9.354  -5.389
  229   1HD   LYS  28          2HD       LYS  28  11.402  -7.575  -7.859
  230   2HD   LYS  28          1HD       LYS  28  12.853  -8.363  -7.283
  231   1HE   LYS  28          2HE       LYS  28  11.984  -9.796  -8.991
  232   2HE   LYS  28          1HE       LYS  28  11.588 -10.598  -7.483
  233   1HZ   LYS  28          1HZ       LYS  28   9.864  -9.802  -9.499
  234   2HZ   LYS  28          2HZ       LYS  28   9.519  -8.826  -8.154
  235   3HZ   LYS  28          3HZ       LYS  28   9.473 -10.516  -8.006
  236    H    GLU  29           H        GLU  29  10.795  -6.787  -1.931
  237    HA   GLU  29           HA       GLU  29   9.267  -9.286  -2.041
  238   1HB   GLU  29          1HB       GLU  29  11.456 -10.607  -1.674
  239   2HB   GLU  29          2HB       GLU  29  11.229  -9.975  -3.289
  240   1HG   GLU  29          2HG       GLU  29  12.689  -8.030  -2.786
  241   2HG   GLU  29          1HG       GLU  29  12.857  -8.567  -1.124
  242    H    LYS  30           H        LYS  30   9.661 -10.609  -0.159
  243    HA   LYS  30           HA       LYS  30   8.765 -10.103   2.147
  244   1HB   LYS  30          1HB       LYS  30  10.587 -11.363   3.356
  245   2HB   LYS  30          2HB       LYS  30  10.027 -12.121   1.877
  246   1HG   LYS  30          2HG       LYS  30  12.001 -11.185   0.644
  247   2HG   LYS  30          1HG       LYS  30  12.545 -10.435   2.132
  248   1HD   LYS  30          2HD       LYS  30  13.016 -12.517   3.187
  249   2HD   LYS  30          1HD       LYS  30  12.044 -13.427   2.042
  250   1HE   LYS  30          2HE       LYS  30  14.543 -13.627   1.663
  251   2HE   LYS  30          1HE       LYS  30  13.659 -13.061   0.254
  252   1HZ   LYS  30          1HZ       LYS  30  14.434 -10.865   1.846
  253   2HZ   LYS  30          2HZ       LYS  30  14.833 -11.252   0.246
  254   3HZ   LYS  30          3HZ       LYS  30  15.789 -11.837   1.531
  Start of MODEL   19
    1   1H    LYS   1          1H        LYS   1  -6.614  14.180  -5.585
    2   2H    LYS   1          2H        LYS   1  -6.460  15.526  -6.608
    3   3H    LYS   1          3H        LYS   1  -7.063  15.723  -5.033
    4    HA   LYS   1           HA       LYS   1  -4.423  15.865  -5.923
    5   1HB   LYS   1          2HB       LYS   1  -5.494  17.280  -4.155
    6   2HB   LYS   1          1HB       LYS   1  -5.560  15.893  -3.079
    7   1HG   LYS   1          2HG       LYS   1  -3.019  15.722  -3.244
    8   2HG   LYS   1          1HG       LYS   1  -3.017  17.179  -4.207
    9   1HD   LYS   1          2HD       LYS   1  -3.991  16.920  -1.325
   10   2HD   LYS   1          1HD       LYS   1  -2.492  17.664  -1.837
   11   1HE   LYS   1          2HE       LYS   1  -5.296  18.688  -2.492
   12   2HE   LYS   1          1HE       LYS   1  -4.155  19.406  -1.372
   13   1HZ   LYS   1          1HZ       LYS   1  -2.854  19.094  -3.812
   14   2HZ   LYS   1          2HZ       LYS   1  -3.279  20.531  -3.015
   15   3HZ   LYS   1          3HZ       LYS   1  -4.361  19.816  -4.112
   16    H    THR   2           H        THR   2  -6.018  13.538  -3.768
   17    HA   THR   2           HA       THR   2  -3.496  11.960  -3.685
   18    HB   THR   2           HB       THR   2  -4.584  10.789  -1.698
   19    HG1  THR   2           HG1      THR   2  -6.651  11.042  -1.617
   20   1HG2  THR   2          1HG2      THR   2  -4.774  13.852  -1.535
   21   2HG2  THR   2          2HG2      THR   2  -3.277  12.958  -1.298
   22   3HG2  THR   2          3HG2      THR   2  -4.613  12.746  -0.179
   23    H    TYR   3           H        TYR   3  -3.646   9.745  -3.503
   24    HA   TYR   3           HA       TYR   3  -5.588   8.391  -5.340
   25   1HB   TYR   3          1HB       TYR   3  -2.606   7.760  -5.064
   26   2HB   TYR   3          2HB       TYR   3  -3.723   7.025  -6.205
   27    HD1  TYR   3           HD1      TYR   3  -2.301  10.365  -5.238
   28    HD2  TYR   3           HD2      TYR   3  -3.935   7.972  -8.364
   29    HE1  TYR   3           HE1      TYR   3  -1.794  12.125  -6.852
   30    HE2  TYR   3           HE2      TYR   3  -3.415   9.739  -9.974
   31    HH   TYR   3           HH       TYR   3  -2.379  11.679 -10.311
   32    H    GLN   4           H        GLN   4  -5.277   5.907  -5.037
   33    HA   GLN   4           HA       GLN   4  -5.083   5.224  -2.129
   34   1HB   GLN   4          1HB       GLN   4  -7.482   5.392  -3.088
   35   2HB   GLN   4          2HB       GLN   4  -7.076   4.013  -4.083
   36   1HG   GLN   4          2HG       GLN   4  -8.191   3.124  -2.147
   37   2HG   GLN   4          1HG       GLN   4  -6.496   2.746  -1.903
   38   1HE2  GLN   4          1HE2      GLN   4  -5.789   3.257   0.161
   39   2HE2  GLN   4          2HE2      GLN   4  -6.422   4.494   1.140
   40    H    CYS   5           H        CYS   5  -4.388   2.794  -1.805
   41    HA   CYS   5           HA       CYS   5  -2.544   2.065  -3.942
   42   1HB   CYS   5          1HB       CYS   5  -1.954   1.700  -1.632
   43   2HB   CYS   5          2HB       CYS   5  -3.365   0.678  -1.379
   44    H    GLN   6           H        GLN   6  -2.519  -0.276  -4.578
   45    HA   GLN   6           HA       GLN   6  -5.164  -0.986  -5.732
   46   1HB   GLN   6          1HB       GLN   6  -3.286  -0.611  -7.242
   47   2HB   GLN   6          2HB       GLN   6  -2.312  -1.789  -6.401
   48   1HG   GLN   6          2HG       GLN   6  -4.925  -2.761  -7.545
   49   2HG   GLN   6          1HG       GLN   6  -3.647  -2.376  -8.685
   50   1HE2  GLN   6          2HE2      GLN   6  -1.993  -3.879  -8.942
   51   2HE2  GLN   6          1HE2      GLN   6  -1.777  -5.260  -7.985
   52    H    TYR   7           H        TYR   7  -2.785  -2.240  -3.523
   53    HA   TYR   7           HA       TYR   7  -4.214  -4.849  -3.324
   54   1HB   TYR   7          1HB       TYR   7  -1.500  -3.907  -2.367
   55   2HB   TYR   7          2HB       TYR   7  -2.174  -5.450  -1.868
   56    HD1  TYR   7           HD1      TYR   7  -2.955  -7.043  -3.755
   57    HD2  TYR   7           HD2      TYR   7  -0.320  -3.764  -4.438
   58    HE1  TYR   7           HE1      TYR   7  -2.212  -8.077  -5.840
   59    HE2  TYR   7           HE2      TYR   7   0.423  -4.807  -6.526
   60    HH   TYR   7           HH       TYR   7  -1.012  -7.819  -7.706
   61    H    CYS   8           H        CYS   8  -3.122  -2.147  -1.334
   62    HA   CYS   8           HA       CYS   8  -4.961  -3.066   0.857
   63   1HB   CYS   8          1HB       CYS   8  -3.435  -2.185   2.438
   64   2HB   CYS   8          2HB       CYS   8  -2.426  -2.902   1.217
   65    H    GLU   9           H        GLU   9  -4.854  -0.759   2.320
   66    HA   GLU   9           HA       GLU   9  -6.412   1.166   0.656
   67   1HB   GLU   9          1HB       GLU   9  -7.652  -0.150   2.479
   68   2HB   GLU   9          2HB       GLU   9  -6.639   0.661   3.669
   69   1HG   GLU   9          2HG       GLU   9  -8.631   1.927   3.666
   70   2HG   GLU   9          1HG       GLU   9  -7.555   2.890   2.686
   71    H1   HAC  10           H1       HAC  10  -0.866   4.573   2.027
   72   1H2   HAC  10          1H2       HAC  10   0.044   4.416  -0.313
   73   2H2   HAC  10          2H2       HAC  10   0.993   3.028   0.164
   74   1H3   HAC  10          1H3       HAC  10   1.225   5.829   1.354
   75   2H3   HAC  10          2H3       HAC  10   2.349   5.102   0.221
   76   1H4   HAC  10          1H4       HAC  10   2.892   3.338   1.863
   77   2H4   HAC  10          2H4       HAC  10   3.152   4.914   2.584
   78   1H5   HAC  10          1H5       HAC  10   1.949   3.393   4.143
   79   2H5   HAC  10          2H5       HAC  10   0.989   4.806   3.751
   80   1H6   HAC  10          1H6       HAC  10   0.691   2.021   2.544
   81   2H6   HAC  10          2H6       HAC  10  -0.441   2.802   3.634
   82   1H7   HAC  10          1H7       HAC  10  -1.484   2.652   0.020
   83   2H7   HAC  10          2H7       HAC  10  -1.549   1.720   1.444
   84    H8   HAC  10           H8       HAC  10  -2.962   3.624   2.456
   85   1HN8  HAC  10          1HN8      HAC  10  -3.876   1.606   0.424
   86    H    ARG  11           H        ARG  11  -2.213   5.709   1.639
   87    HA   ARG  11           HA       ARG  11  -3.239   6.424  -1.068
   88   1HB   ARG  11          2HB       ARG  11  -3.554   8.052   1.485
   89   2HB   ARG  11          1HB       ARG  11  -4.050   8.586  -0.111
   90   1HG   ARG  11          2HG       ARG  11  -5.635   6.657  -0.252
   91   2HG   ARG  11          1HG       ARG  11  -5.129   6.130   1.343
   92   1HD   ARG  11          2HD       ARG  11  -5.914   8.286   2.318
   93   2HD   ARG  11          1HD       ARG  11  -6.461   8.794   0.718
   94    HE   ARG  11           HE       ARG  11  -8.027   6.849   0.753
   95   1HH1  ARG  11          2HH1      ARG  11  -8.557   8.905   2.995
   96   2HH1  ARG  11          1HH1      ARG  11  -8.931   7.840   4.310
   97   1HH2  ARG  11          2HH2      ARG  11  -7.622   5.032   2.666
   98   2HH2  ARG  11          1HH2      ARG  11  -8.387   5.586   4.120
   99    H    SER  12           H        SER  12  -2.302   8.097  -2.081
  100    HA   SER  12           HA       SER  12   0.327   9.125  -1.079
  101   1HB   SER  12          2HB       SER  12  -0.214   8.174  -3.977
  102   2HB   SER  12          1HB       SER  12   1.279   8.828  -3.356
  103    HG   SER  12           HG       SER  12   0.264   6.342  -3.068
  104    H    ALA  13           H        ALA  13   0.910  11.065  -2.609
  105    HA   ALA  13           HA       ALA  13  -1.589  12.668  -3.037
  106   1HB   ALA  13          1HB       ALA  13  -0.236  14.642  -2.448
  107   2HB   ALA  13          2HB       ALA  13   1.166  13.611  -2.194
  108   3HB   ALA  13          3HB       ALA  13  -0.240  13.458  -1.151
  109    H    ASP  14           H        ASP  14   1.013  11.302  -4.648
  110    HA   ASP  14           HA       ASP  14   0.467  12.989  -7.044
  111   1HB   ASP  14          1HB       ASP  14   2.492  13.910  -5.990
  112   2HB   ASP  14          2HB       ASP  14   3.235  12.316  -5.940
  113    H    SER  15           H        SER  15   2.328  10.362  -5.902
  114    HA   SER  15           HA       SER  15   1.832   7.991  -6.462
  115   1HB   SER  15          2HB       SER  15   1.851   9.135  -9.341
  116   2HB   SER  15          1HB       SER  15   1.919   7.410  -8.968
  117    HG   SER  15           HG       SER  15  -0.004   8.596  -7.502
  118    H    SER  16           H        SER  16   3.561   6.669  -7.582
  119    HA   SER  16           HA       SER  16   5.825   6.307  -8.382
  120   1HB   SER  16          2HB       SER  16   6.568   8.984  -6.988
  121   2HB   SER  16          1HB       SER  16   7.641   7.938  -7.917
  122    HG   SER  16           HG       SER  16   6.911   8.860  -9.616
  123    H    ASN  17           H        ASN  17   5.133   8.034  -5.410
  124    HA   ASN  17           HA       ASN  17   6.750   6.352  -3.707
  125   1HB   ASN  17          1HB       ASN  17   5.970   8.705  -3.115
  126   2HB   ASN  17          2HB       ASN  17   4.337   8.081  -2.953
  127   1HD2  ASN  17          1HD2      ASN  17   6.645   5.728  -1.846
  128   2HD2  ASN  17          2HD2      ASN  17   6.512   6.103  -0.201
  129    H    LEU  18           H        LEU  18   3.528   6.285  -5.055
  130    HA   LEU  18           HA       LEU  18   2.544   4.196  -3.302
  131   1HB   LEU  18          1HB       LEU  18   1.079   5.834  -4.721
  132   2HB   LEU  18          2HB       LEU  18   1.549   4.885  -6.123
  133    HG   LEU  18           HG       LEU  18   0.468   2.836  -5.131
  134   1HD1  LEU  18          1HD1      LEU  18   0.777   3.419  -2.698
  135   2HD1  LEU  18          2HD1      LEU  18  -0.879   3.049  -3.080
  136   3HD1  LEU  18          3HD1      LEU  18  -0.393   4.715  -2.873
  137   1HD2  LEU  18          1HD2      LEU  18  -0.832   4.393  -6.569
  138   2HD2  LEU  18          2HD2      LEU  18  -1.326   5.296  -5.143
  139   3HD2  LEU  18          3HD2      LEU  18  -1.834   3.627  -5.355
  140    H    LYS  19           H        LYS  19   4.080   4.361  -6.480
  141    HA   LYS  19           HA       LYS  19   3.888   1.557  -7.063
  142   1HB   LYS  19          1HB       LYS  19   5.625   3.885  -7.978
  143   2HB   LYS  19          2HB       LYS  19   6.116   2.273  -8.455
  144   1HG   LYS  19          2HG       LYS  19   4.198   1.906  -9.767
  145   2HG   LYS  19          1HG       LYS  19   3.229   3.082  -8.910
  146   1HD   LYS  19          2HD       LYS  19   5.655   4.055 -10.442
  147   2HD   LYS  19          1HD       LYS  19   4.219   3.614 -11.342
  148   1HE   LYS  19          2HE       LYS  19   2.881   5.253 -10.252
  149   2HE   LYS  19          1HE       LYS  19   4.029   5.473  -8.950
  150   1HZ   LYS  19          1HZ       LYS  19   4.986   7.095 -10.138
  151   2HZ   LYS  19          2HZ       LYS  19   3.832   6.860 -11.360
  152   3HZ   LYS  19          3HZ       LYS  19   5.298   6.008 -11.399
  153    H    THR  20           H        THR  20   6.549   3.449  -5.589
  154    HA   THR  20           HA       THR  20   8.235   1.266  -4.963
  155    HB   THR  20           HB       THR  20   9.043   2.778  -2.990
  156    HG1  THR  20           HG1      THR  20   6.635   3.861  -3.666
  157   1HG2  THR  20          1HG2      THR  20   9.927   3.128  -5.347
  158   2HG2  THR  20          2HG2      THR  20   9.817   4.633  -4.444
  159   3HG2  THR  20          3HG2      THR  20   8.602   4.239  -5.651
  160    H    HIS  21           H        HIS  21   5.647   2.760  -3.001
  161    HA   HIS  21           HA       HIS  21   5.621   1.173  -0.757
  162   1HB   HIS  21          1HB       HIS  21   4.042   2.978  -0.867
  163   2HB   HIS  21          2HB       HIS  21   3.365   2.423  -2.377
  164    HD1  HIS  21           HD1      HIS  21   3.395   1.348   1.235
  165    HD2  HIS  21           HD2      HIS  21   1.261   0.730  -2.197
  166    HE1  HIS  21           HE1      HIS  21   1.407   0.012   1.867
  167    H    ILE  22           H        ILE  22   3.855   0.420  -3.810
  168    HA   ILE  22           HA       ILE  22   2.940  -2.126  -3.033
  169    HB   ILE  22           HB       ILE  22   3.709  -1.026  -5.784
  170   1HG1  ILE  22          2HG1      ILE  22   0.966  -1.472  -4.522
  171   2HG1  ILE  22          1HG1      ILE  22   1.805   0.053  -4.388
  172   1HG2  ILE  22          1HG2      ILE  22   3.723  -3.525  -5.865
  173   2HG2  ILE  22          2HG2      ILE  22   2.347  -2.896  -6.739
  174   3HG2  ILE  22          3HG2      ILE  22   2.126  -3.560  -5.133
  175   1HD1  ILE  22          1HD1      ILE  22   0.955  -1.272  -7.005
  176   2HD1  ILE  22          2HD1      ILE  22   1.850   0.236  -6.878
  177   3HD1  ILE  22          3HD1      ILE  22   0.215   0.131  -6.256
  178    H    LYS  23           H        LYS  23   5.960  -1.213  -4.572
  179    HA   LYS  23           HA       LYS  23   7.053  -3.918  -4.549
  180   1HB   LYS  23          1HB       LYS  23   8.324  -1.226  -5.184
  181   2HB   LYS  23          2HB       LYS  23   9.121  -2.763  -5.426
  182   1HG   LYS  23          2HG       LYS  23   6.476  -2.063  -6.748
  183   2HG   LYS  23          1HG       LYS  23   8.033  -1.763  -7.494
  184   1HD   LYS  23          2HD       LYS  23   8.569  -4.227  -7.235
  185   2HD   LYS  23          1HD       LYS  23   6.940  -4.490  -6.644
  186   1HE   LYS  23          2HE       LYS  23   7.627  -3.311  -9.371
  187   2HE   LYS  23          1HE       LYS  23   7.125  -4.968  -9.087
  188   1HZ   LYS  23          1HZ       LYS  23   5.046  -4.325  -9.183
  189   2HZ   LYS  23          2HZ       LYS  23   5.527  -2.718  -9.444
  190   3HZ   LYS  23          3HZ       LYS  23   5.267  -3.280  -7.863
  191    H    THR  24           H        THR  24   6.508  -2.201  -2.007
  192    HA   THR  24           HA       THR  24   9.043  -2.920  -0.585
  193    HB   THR  24           HB       THR  24   7.250  -0.448  -0.212
  194    HG1  THR  24           HG1      THR  24   8.642  -0.052  -1.765
  195   1HG2  THR  24          1HG2      THR  24   9.884  -1.161   1.202
  196   2HG2  THR  24          2HG2      THR  24   8.335  -1.297   2.019
  197   3HG2  THR  24          3HG2      THR  24   8.909   0.267   1.468
  198    H    LYS  25           H        LYS  25   5.598  -2.481  -0.320
  199    HA   LYS  25           HA       LYS  25   5.407  -4.118   2.135
  200   1HB   LYS  25          1HB       LYS  25   3.294  -2.416   0.760
  201   2HB   LYS  25          2HB       LYS  25   3.120  -3.208   2.325
  202   1HG   LYS  25          2HG       LYS  25   5.039  -0.955   1.661
  203   2HG   LYS  25          1HG       LYS  25   3.556  -0.819   2.588
  204   1HD   LYS  25          2HD       LYS  25   4.597  -2.564   4.211
  205   2HD   LYS  25          1HD       LYS  25   6.112  -2.244   3.387
  206   1HE   LYS  25          2HE       LYS  25   4.393  -0.150   4.787
  207   2HE   LYS  25          1HE       LYS  25   5.919  -0.791   5.372
  208   1HZ   LYS  25          1HZ       LYS  25   6.965   0.728   4.218
  209   2HZ   LYS  25          2HZ       LYS  25   5.494   1.341   3.636
  210   3HZ   LYS  25          3HZ       LYS  25   6.316   0.131   2.769
  211    H    HIS  26           H        HIS  26   4.031  -3.939  -1.157
  212    HA   HIS  26           HA       HIS  26   2.710  -6.573  -0.669
  213   1HB   HIS  26          1HB       HIS  26   2.437  -4.687  -3.040
  214   2HB   HIS  26          2HB       HIS  26   1.465  -6.112  -2.730
  215    HD1  HIS  26           HD1      HIS  26   0.478  -5.856  -0.016
  216    HD2  HIS  26           HD2      HIS  26   1.098  -2.469  -2.209
  217    HE1  HIS  26           HE1      HIS  26  -0.885  -4.073   1.047
  218    H    SER  27           H        SER  27   5.626  -6.149  -1.129
  219    HA   SER  27           HA       SER  27   6.005  -8.179  -3.281
  220   1HB   SER  27          2HB       SER  27   8.094  -6.963  -3.935
  221   2HB   SER  27          1HB       SER  27   6.725  -5.849  -4.013
  222    HG   SER  27           HG       SER  27   7.531  -5.858  -1.505
  223    H    LYS  28           H        LYS  28   8.559  -8.785  -2.892
  224    HA   LYS  28           HA       LYS  28   8.819  -9.423   0.037
  225   1HB   LYS  28          1HB       LYS  28   8.202 -11.396  -1.532
  226   2HB   LYS  28          2HB       LYS  28   9.785 -11.192  -2.270
  227   1HG   LYS  28          2HG       LYS  28  10.894 -11.552  -0.084
  228   2HG   LYS  28          1HG       LYS  28   9.343 -11.595   0.728
  229   1HD   LYS  28          2HD       LYS  28   8.759 -13.664  -0.545
  230   2HD   LYS  28          1HD       LYS  28  10.338 -13.617  -1.317
  231   1HE   LYS  28          2HE       LYS  28  11.444 -13.770   0.912
  232   2HE   LYS  28          1HE       LYS  28   9.872 -13.783   1.696
  233   1HZ   LYS  28          1HZ       LYS  28   9.777 -15.938   1.413
  234   2HZ   LYS  28          2HZ       LYS  28  11.293 -15.929   0.649
  235   3HZ   LYS  28          3HZ       LYS  28   9.873 -15.761  -0.271
  236    H    GLU  29           H        GLU  29   9.706  -7.147  -0.835
  237    HA   GLU  29           HA       GLU  29  12.660  -7.406  -1.232
  238   1HB   GLU  29          1HB       GLU  29  10.868  -4.983  -1.801
  239   2HB   GLU  29          2HB       GLU  29  12.554  -5.163  -2.253
  240   1HG   GLU  29          2HG       GLU  29  10.237  -6.807  -3.352
  241   2HG   GLU  29          1HG       GLU  29  11.136  -5.575  -4.215
  242    H    LYS  30           H        LYS  30  12.657  -4.451  -0.414
  243    HA   LYS  30           HA       LYS  30  12.617  -4.905   2.549
  244   1HB   LYS  30          1HB       LYS  30  14.258  -3.008   2.616
  245   2HB   LYS  30          2HB       LYS  30  14.856  -4.390   1.723
  246   1HG   LYS  30          2HG       LYS  30  14.343  -3.319  -0.412
  247   2HG   LYS  30          1HG       LYS  30  13.559  -1.971   0.395
  248   1HD   LYS  30          2HD       LYS  30  15.680  -1.325   1.461
  249   2HD   LYS  30          1HD       LYS  30  16.491  -2.723   0.771
  250   1HE   LYS  30          2HE       LYS  30  15.189  -0.513  -0.875
  251   2HE   LYS  30          1HE       LYS  30  16.909  -0.617  -0.527
  252   1HZ   LYS  30          1HZ       LYS  30  17.133  -1.985  -2.216
  253   2HZ   LYS  30          2HZ       LYS  30  15.471  -1.887  -2.549
  254   3HZ   LYS  30          3HZ       LYS  30  16.060  -3.090  -1.505
  Start of MODEL   20
    1   1H    LYS   1          1H        LYS   1  -3.730  16.270  -4.869
    2   2H    LYS   1          2H        LYS   1  -4.828  17.349  -4.158
    3   3H    LYS   1          3H        LYS   1  -4.991  16.928  -5.794
    4    HA   LYS   1           HA       LYS   1  -6.104  15.700  -3.544
    5   1HB   LYS   1          2HB       LYS   1  -7.328  14.408  -5.239
    6   2HB   LYS   1          1HB       LYS   1  -7.216  16.077  -5.742
    7   1HG   LYS   1          2HG       LYS   1  -5.323  15.544  -7.260
    8   2HG   LYS   1          1HG       LYS   1  -5.388  13.858  -6.783
    9   1HD   LYS   1          2HD       LYS   1  -7.694  15.366  -8.109
   10   2HD   LYS   1          1HD       LYS   1  -6.586  14.307  -8.955
   11   1HE   LYS   1          2HE       LYS   1  -8.409  13.388  -6.659
   12   2HE   LYS   1          1HE       LYS   1  -8.721  13.152  -8.362
   13   1HZ   LYS   1          1HZ       LYS   1  -6.172  12.253  -7.979
   14   2HZ   LYS   1          2HZ       LYS   1  -7.549  11.327  -8.259
   15   3HZ   LYS   1          3HZ       LYS   1  -7.061  11.635  -6.661
   16    H    THR   2           H        THR   2  -6.388  13.261  -3.529
   17    HA   THR   2           HA       THR   2  -3.737  11.912  -3.738
   18    HB   THR   2           HB       THR   2  -4.255  12.357  -1.366
   19    HG1  THR   2           HG1      THR   2  -4.870   9.763  -1.229
   20   1HG2  THR   2          1HG2      THR   2  -6.796  10.689  -1.868
   21   2HG2  THR   2          2HG2      THR   2  -6.807  12.424  -1.581
   22   3HG2  THR   2          3HG2      THR   2  -6.283  11.324  -0.314
   23    H    TYR   3           H        TYR   3  -3.904   9.652  -3.504
   24    HA   TYR   3           HA       TYR   3  -6.147   8.357  -4.973
   25   1HB   TYR   3          1HB       TYR   3  -3.152   7.984  -5.554
   26   2HB   TYR   3          2HB       TYR   3  -4.435   7.069  -6.329
   27    HD1  TYR   3           HD1      TYR   3  -3.264  10.605  -5.808
   28    HD2  TYR   3           HD2      TYR   3  -5.390   7.907  -8.328
   29    HE1  TYR   3           HE1      TYR   3  -3.503  12.361  -7.485
   30    HE2  TYR   3           HE2      TYR   3  -5.622   9.668 -10.008
   31    HH   TYR   3           HH       TYR   3  -5.322  11.827 -10.472
   32    H    GLN   4           H        GLN   4  -5.937   5.977  -4.760
   33    HA   GLN   4           HA       GLN   4  -5.009   5.237  -2.028
   34   1HB   GLN   4          1HB       GLN   4  -7.297   4.247  -3.744
   35   2HB   GLN   4          2HB       GLN   4  -6.759   3.343  -2.352
   36   1HG   GLN   4          2HG       GLN   4  -7.506   6.280  -2.145
   37   2HG   GLN   4          1HG       GLN   4  -8.732   5.032  -2.047
   38   1HE2  GLN   4          1HE2      GLN   4  -5.882   3.766  -0.661
   39   2HE2  GLN   4          2HE2      GLN   4  -6.232   4.137   0.957
   40    H    CYS   5           H        CYS   5  -4.454   2.740  -1.893
   41    HA   CYS   5           HA       CYS   5  -2.565   2.177  -4.081
   42   1HB   CYS   5          1HB       CYS   5  -1.939   1.765  -1.757
   43   2HB   CYS   5          2HB       CYS   5  -3.309   0.676  -1.547
   44    H    GLN   6           H        GLN   6  -2.514  -0.115  -4.923
   45    HA   GLN   6           HA       GLN   6  -5.273  -0.913  -5.799
   46   1HB   GLN   6          1HB       GLN   6  -2.558  -1.428  -7.110
   47   2HB   GLN   6          2HB       GLN   6  -4.089  -1.995  -7.739
   48   1HG   GLN   6          2HG       GLN   6  -3.450   0.044  -8.937
   49   2HG   GLN   6          1HG       GLN   6  -4.874   0.367  -7.966
   50   1HE2  GLN   6          1HE2      GLN   6  -4.757   2.277  -6.868
   51   2HE2  GLN   6          2HE2      GLN   6  -3.341   3.024  -6.323
   52    H    TYR   7           H        TYR   7  -3.463  -1.685  -3.429
   53    HA   TYR   7           HA       TYR   7  -3.958  -4.625  -3.553
   54   1HB   TYR   7          1HB       TYR   7  -1.531  -3.154  -2.474
   55   2HB   TYR   7          2HB       TYR   7  -1.860  -4.841  -2.089
   56    HD1  TYR   7           HD1      TYR   7  -1.366  -2.534  -5.016
   57    HD2  TYR   7           HD2      TYR   7  -1.093  -6.522  -3.536
   58    HE1  TYR   7           HE1      TYR   7  -0.281  -3.238  -7.094
   59    HE2  TYR   7           HE2      TYR   7  -0.003  -7.217  -5.616
   60    HH   TYR   7           HH       TYR   7   0.626  -6.628  -7.639
   61    H    CYS   8           H        CYS   8  -3.173  -1.912  -1.503
   62    HA   CYS   8           HA       CYS   8  -5.034  -2.911   0.620
   63   1HB   CYS   8          1HB       CYS   8  -3.487  -2.099   2.261
   64   2HB   CYS   8          2HB       CYS   8  -2.502  -2.831   1.031
   65    H    GLU   9           H        GLU   9  -4.897  -0.633   2.154
   66    HA   GLU   9           HA       GLU   9  -6.414   1.359   0.502
   67   1HB   GLU   9          1HB       GLU   9  -7.674   0.050   2.339
   68   2HB   GLU   9          2HB       GLU   9  -6.673   0.902   3.508
   69   1HG   GLU   9          2HG       GLU   9  -7.508   3.097   2.285
   70   2HG   GLU   9          1HG       GLU   9  -8.727   2.052   1.586
   71    H1   HAC  10           H1       HAC  10  -0.815   4.482   2.229
   72   1H2   HAC  10          1H2       HAC  10   0.309   4.523  -0.045
   73   2H2   HAC  10          2H2       HAC  10   1.157   3.069   0.378
   74   1H3   HAC  10          1H3       HAC  10   1.648   5.869   1.273
   75   2H3   HAC  10          2H3       HAC  10   2.799   4.575   1.003
   76   1H4   HAC  10          1H4       HAC  10   2.923   4.828   3.330
   77   2H4   HAC  10          2H4       HAC  10   1.216   5.199   3.495
   78   1H5   HAC  10          1H5       HAC  10   2.319   2.460   2.744
   79   2H5   HAC  10          2H5       HAC  10   1.813   2.907   4.360
   80   1H6   HAC  10          1H6       HAC  10   0.120   1.673   2.714
   81   2H6   HAC  10          2H6       HAC  10  -0.430   2.886   3.844
   82   1H7   HAC  10          1H7       HAC  10  -1.358   2.913  -0.039
   83   2H7   HAC  10          2H7       HAC  10  -1.502   1.745   1.211
   84    H8   HAC  10           H8       HAC  10  -2.892   3.597   2.462
   85   1HN8  HAC  10          1HN8      HAC  10  -3.811   1.715   0.317
   86    H    ARG  11           H        ARG  11  -2.300   5.718   1.922
   87    HA   ARG  11           HA       ARG  11  -3.366   6.727  -0.678
   88   1HB   ARG  11          1HB       ARG  11  -3.241   8.195   1.999
   89   2HB   ARG  11          2HB       ARG  11  -3.943   8.816   0.518
   90   1HG   ARG  11          2HG       ARG  11  -5.578   6.891   0.538
   91   2HG   ARG  11          1HG       ARG  11  -4.925   6.385   2.091
   92   1HD   ARG  11          2HD       ARG  11  -5.511   8.648   3.026
   93   2HD   ARG  11          1HD       ARG  11  -6.285   9.044   1.493
   94    HE   ARG  11           HE       ARG  11  -7.759   7.008   1.927
   95   1HH1  ARG  11          1HH1      ARG  11  -7.642   9.579   3.865
   96   2HH1  ARG  11          2HH1      ARG  11  -8.117   8.805   5.340
   97   1HH2  ARG  11          2HH2      ARG  11  -7.740   5.577   4.039
   98   2HH2  ARG  11          1HH2      ARG  11  -8.161   6.505   5.434
   99    H    SER  12           H        SER  12  -2.197   8.452  -1.630
  100    HA   SER  12           HA       SER  12   0.594   8.798  -0.566
  101   1HB   SER  12          2HB       SER  12  -0.145   8.145  -3.443
  102   2HB   SER  12          1HB       SER  12   1.471   8.571  -2.908
  103    HG   SER  12           HG       SER  12   1.611   6.774  -1.764
  104    H    ALA  13           H        ALA  13  -1.186  10.027  -3.323
  105    HA   ALA  13           HA       ALA  13  -1.956  12.465  -3.275
  106   1HB   ALA  13          1HB       ALA  13  -0.281  13.303  -1.620
  107   2HB   ALA  13          2HB       ALA  13  -0.174  14.176  -3.131
  108   3HB   ALA  13          3HB       ALA  13   1.017  12.945  -2.755
  109    H    ASP  14           H        ASP  14   1.132  11.176  -4.318
  110    HA   ASP  14           HA       ASP  14   0.527  11.841  -7.180
  111   1HB   ASP  14          1HB       ASP  14   2.327  13.253  -6.213
  112   2HB   ASP  14          2HB       ASP  14   3.196  11.809  -5.702
  113    H    SER  15           H        SER  15   2.086  10.321  -8.620
  114    HA   SER  15           HA       SER  15   1.603   7.531  -7.647
  115   1HB   SER  15          2HB       SER  15   0.352   8.228  -9.702
  116   2HB   SER  15          1HB       SER  15   1.889   8.517 -10.527
  117    HG   SER  15           HG       SER  15   0.636   6.196 -10.068
  118    H    SER  16           H        SER  16   3.816   8.520  -6.620
  119    HA   SER  16           HA       SER  16   6.034   7.093  -8.044
  120   1HB   SER  16          2HB       SER  16   7.584   8.877  -6.994
  121   2HB   SER  16          1HB       SER  16   6.465   9.568  -8.169
  122    HG   SER  16           HG       SER  16   5.545  10.609  -6.669
  123    H    ASN  17           H        ASN  17   5.152   8.576  -4.984
  124    HA   ASN  17           HA       ASN  17   6.449   6.759  -3.247
  125   1HB   ASN  17          1HB       ASN  17   5.771   8.837  -2.299
  126   2HB   ASN  17          2HB       ASN  17   4.141   8.708  -2.926
  127   1HD2  ASN  17          2HD2      ASN  17   6.086   8.144  -0.131
  128   2HD2  ASN  17          1HD2      ASN  17   4.925   7.278   0.758
  129    H    LEU  18           H        LEU  18   3.353   6.593  -4.866
  130    HA   LEU  18           HA       LEU  18   2.365   4.381  -3.284
  131   1HB   LEU  18          1HB       LEU  18   0.976   6.095  -4.713
  132   2HB   LEU  18          2HB       LEU  18   1.473   5.160  -6.115
  133    HG   LEU  18           HG       LEU  18   0.353   3.113  -5.130
  134   1HD1  LEU  18          1HD1      LEU  18  -1.161   3.446  -3.186
  135   2HD1  LEU  18          2HD1      LEU  18  -0.629   5.106  -3.034
  136   3HD1  LEU  18          3HD1      LEU  18   0.484   3.784  -2.703
  137   1HD2  LEU  18          1HD2      LEU  18  -1.427   5.585  -5.353
  138   2HD2  LEU  18          2HD2      LEU  18  -1.933   3.909  -5.511
  139   3HD2  LEU  18          3HD2      LEU  18  -0.872   4.611  -6.705
  140    H    LYS  19           H        LYS  19   3.984   4.599  -6.435
  141    HA   LYS  19           HA       LYS  19   3.787   1.774  -6.971
  142   1HB   LYS  19          1HB       LYS  19   4.374   3.491  -8.721
  143   2HB   LYS  19          2HB       LYS  19   5.874   3.831  -7.893
  144   1HG   LYS  19          2HG       LYS  19   5.652   0.941  -8.404
  145   2HG   LYS  19          1HG       LYS  19   5.355   1.836  -9.878
  146   1HD   LYS  19          2HD       LYS  19   7.466   3.038  -9.675
  147   2HD   LYS  19          1HD       LYS  19   7.760   2.345  -8.088
  148   1HE   LYS  19          2HE       LYS  19   9.062   1.176  -9.855
  149   2HE   LYS  19          1HE       LYS  19   7.926   0.104  -9.067
  150   1HZ   LYS  19          1HZ       LYS  19   7.028  -0.316 -11.034
  151   2HZ   LYS  19          2HZ       LYS  19   8.143   0.717 -11.778
  152   3HZ   LYS  19          3HZ       LYS  19   6.649   1.324 -11.250
  153    H    THR  20           H        THR  20   6.407   3.748  -5.587
  154    HA   THR  20           HA       THR  20   8.215   1.660  -4.980
  155    HB   THR  20           HB       THR  20   8.977   3.300  -3.059
  156    HG1  THR  20           HG1      THR  20   6.821   4.728  -4.201
  157   1HG2  THR  20          1HG2      THR  20   9.570   5.164  -4.576
  158   2HG2  THR  20          2HG2      THR  20   8.340   4.686  -5.729
  159   3HG2  THR  20          3HG2      THR  20   9.755   3.677  -5.486
  160    H    HIS  21           H        HIS  21   5.547   3.047  -3.021
  161    HA   HIS  21           HA       HIS  21   5.675   1.464  -0.775
  162   1HB   HIS  21          1HB       HIS  21   4.037   3.166  -0.773
  163   2HB   HIS  21          2HB       HIS  21   3.374   2.708  -2.329
  164    HD1  HIS  21           HD1      HIS  21   3.360   1.471   1.218
  165    HD2  HIS  21           HD2      HIS  21   1.295   0.960  -2.265
  166    HE1  HIS  21           HE1      HIS  21   1.377   0.084   1.766
  167    H    ILE  22           H        ILE  22   3.750   0.639  -3.706
  168    HA   ILE  22           HA       ILE  22   2.964  -1.933  -2.935
  169    HB   ILE  22           HB       ILE  22   3.738  -0.909  -5.712
  170   1HG1  ILE  22          2HG1      ILE  22   0.971  -1.253  -4.475
  171   2HG1  ILE  22          1HG1      ILE  22   1.846   0.249  -4.361
  172   1HG2  ILE  22          1HG2      ILE  22   2.363  -2.791  -6.603
  173   2HG2  ILE  22          2HG2      ILE  22   2.093  -3.376  -4.971
  174   3HG2  ILE  22          3HG2      ILE  22   3.704  -3.413  -5.668
  175   1HD1  ILE  22          1HD1      ILE  22   0.297   0.297  -6.268
  176   2HD1  ILE  22          2HD1      ILE  22   1.018  -1.136  -6.959
  177   3HD1  ILE  22          3HD1      ILE  22   1.944   0.355  -6.863
  178    H    LYS  23           H        LYS  23   5.834  -1.239  -4.866
  179    HA   LYS  23           HA       LYS  23   6.897  -3.827  -4.954
  180   1HB   LYS  23          1HB       LYS  23   8.382  -1.171  -4.837
  181   2HB   LYS  23          2HB       LYS  23   9.104  -2.688  -5.350
  182   1HG   LYS  23          2HG       LYS  23   6.646  -1.445  -6.689
  183   2HG   LYS  23          1HG       LYS  23   8.293  -1.244  -7.260
  184   1HD   LYS  23          2HD       LYS  23   8.534  -3.626  -7.676
  185   2HD   LYS  23          1HD       LYS  23   6.990  -4.004  -6.941
  186   1HE   LYS  23          2HE       LYS  23   6.712  -3.996  -9.352
  187   2HE   LYS  23          1HE       LYS  23   5.852  -2.618  -8.693
  188   1HZ   LYS  23          1HZ       LYS  23   7.034  -1.311  -9.960
  189   2HZ   LYS  23          2HZ       LYS  23   7.865  -2.636 -10.604
  190   3HZ   LYS  23          3HZ       LYS  23   8.477  -1.837  -9.232
  191    H    THR  24           H        THR  24   7.256  -1.553  -2.328
  192    HA   THR  24           HA       THR  24   9.140  -3.307  -0.903
  193    HB   THR  24           HB       THR  24   9.172  -1.387   0.775
  194    HG1  THR  24           HG1      THR  24   6.897  -0.875  -0.565
  195   1HG2  THR  24          1HG2      THR  24  10.654  -1.315  -1.307
  196   2HG2  THR  24          2HG2      THR  24  10.129   0.286  -0.804
  197   3HG2  THR  24          3HG2      THR  24   9.360  -0.509  -2.167
  198    H    LYS  25           H        LYS  25   5.735  -2.378  -0.429
  199    HA   LYS  25           HA       LYS  25   5.644  -4.058   2.023
  200   1HB   LYS  25          1HB       LYS  25   3.572  -2.070   1.044
  201   2HB   LYS  25          2HB       LYS  25   3.686  -2.794   2.645
  202   1HG   LYS  25          2HG       LYS  25   5.968  -1.710   2.909
  203   2HG   LYS  25          1HG       LYS  25   5.714  -0.891   1.379
  204   1HD   LYS  25          2HD       LYS  25   3.517   0.027   2.482
  205   2HD   LYS  25          1HD       LYS  25   4.227  -0.503   3.989
  206   1HE   LYS  25          2HE       LYS  25   4.845   1.834   3.658
  207   2HE   LYS  25          1HE       LYS  25   6.301   0.869   3.431
  208   1HZ   LYS  25          1HZ       LYS  25   4.911   1.093   0.993
  209   2HZ   LYS  25          2HZ       LYS  25   6.470   1.627   1.378
  210   3HZ   LYS  25          3HZ       LYS  25   5.128   2.641   1.653
  211    H    HIS  26           H        HIS  26   4.590  -4.339  -1.246
  212    HA   HIS  26           HA       HIS  26   2.667  -6.497  -0.482
  213   1HB   HIS  26          1HB       HIS  26   2.658  -4.666  -2.931
  214   2HB   HIS  26          2HB       HIS  26   1.562  -6.013  -2.716
  215    HD1  HIS  26           HD1      HIS  26   0.659  -5.635   0.120
  216    HD2  HIS  26           HD2      HIS  26   1.149  -2.445  -2.374
  217    HE1  HIS  26           HE1      HIS  26  -0.729  -3.796   1.051
  218    H    SER  27           H        SER  27   5.086  -5.416  -2.649
  219    HA   SER  27           HA       SER  27   6.269  -6.464  -4.390
  220   1HB   SER  27          2HB       SER  27   7.620  -6.477  -2.226
  221   2HB   SER  27          1HB       SER  27   7.085  -8.137  -1.977
  222    HG   SER  27           HG       SER  27   8.488  -8.716  -3.389
  223    H    LYS  28           H        LYS  28   4.064  -7.471  -5.112
  224    HA   LYS  28           HA       LYS  28   4.434 -10.442  -5.360
  225   1HB   LYS  28          1HB       LYS  28   2.385  -9.823  -4.119
  226   2HB   LYS  28          2HB       LYS  28   1.860  -8.783  -5.433
  227   1HG   LYS  28          2HG       LYS  28   1.461 -10.640  -6.893
  228   2HG   LYS  28          1HG       LYS  28   2.489 -11.713  -5.975
  229   1HD   LYS  28          2HD       LYS  28   0.157 -12.341  -5.680
  230   2HD   LYS  28          1HD       LYS  28   0.822 -11.801  -4.163
  231   1HE   LYS  28          2HE       LYS  28  -0.731  -9.900  -5.954
  232   2HE   LYS  28          1HE       LYS  28  -1.544 -10.945  -4.795
  233   1HZ   LYS  28          1HZ       LYS  28  -1.067  -9.516  -3.222
  234   2HZ   LYS  28          2HZ       LYS  28  -0.259  -8.511  -4.331
  235   3HZ   LYS  28          3HZ       LYS  28   0.593  -9.714  -3.493
  236    H    GLU  29           H        GLU  29   3.550 -11.235  -7.472
  237    HA   GLU  29           HA       GLU  29   4.413  -9.438  -9.678
  238   1HB   GLU  29          1HB       GLU  29   4.369 -12.451  -9.528
  239   2HB   GLU  29          2HB       GLU  29   4.878 -11.522 -10.920
  240   1HG   GLU  29          2HG       GLU  29   6.876 -12.184  -9.664
  241   2HG   GLU  29          1HG       GLU  29   6.682 -10.446  -9.538
  242    H    LYS  30           H        LYS  30   1.089  -9.606 -11.091
  243    HA   LYS  30           HA       LYS  30   3.522  -7.987 -10.403
  244   1HB   LYS  30          1HB       LYS  30   3.636  -8.643 -12.767
  245   2HB   LYS  30          2HB       LYS  30   1.963  -8.187 -13.010
  246   1HG   LYS  30          2HG       LYS  30   2.499  -5.818 -12.620
  247   2HG   LYS  30          1HG       LYS  30   4.143  -6.224 -12.190
  248   1HD   LYS  30          2HD       LYS  30   3.071  -7.055 -14.907
  249   2HD   LYS  30          1HD       LYS  30   3.586  -5.398 -14.665
  250   1HE   LYS  30          2HE       LYS  30   5.341  -7.835 -14.079
  251   2HE   LYS  30          1HE       LYS  30   5.422  -6.887 -15.556
  252   1HZ   LYS  30          1HZ       LYS  30   5.525  -5.124 -13.394
  253   2HZ   LYS  30          2HZ       LYS  30   6.732  -5.466 -14.538
  254   3HZ   LYS  30          3HZ       LYS  30   6.643  -6.372 -13.103
  Start of MODEL   21
    1   1H    LYS   1          1H        LYS   1  -7.040  16.093  -2.093
    2   2H    LYS   1          2H        LYS   1  -6.041  16.885  -3.212
    3   3H    LYS   1          3H        LYS   1  -5.369  15.798  -2.095
    4    HA   LYS   1           HA       LYS   1  -7.367  14.428  -3.462
    5   1HB   LYS   1          2HB       LYS   1  -5.378  15.896  -5.260
    6   2HB   LYS   1          1HB       LYS   1  -6.369  14.549  -5.783
    7   1HG   LYS   1          2HG       LYS   1  -8.423  15.830  -5.322
    8   2HG   LYS   1          1HG       LYS   1  -7.499  17.151  -4.643
    9   1HD   LYS   1          2HD       LYS   1  -8.108  17.755  -6.916
   10   2HD   LYS   1          1HD       LYS   1  -6.381  17.467  -6.885
   11   1HE   LYS   1          2HE       LYS   1  -6.770  15.156  -7.815
   12   2HE   LYS   1          1HE       LYS   1  -8.495  15.490  -7.849
   13   1HZ   LYS   1          1HZ       LYS   1  -8.224  16.440  -9.797
   14   2HZ   LYS   1          2HZ       LYS   1  -6.550  16.157  -9.738
   15   3HZ   LYS   1          3HZ       LYS   1  -7.189  17.599  -9.116
   16    H    THR   2           H        THR   2  -6.699  12.395  -3.477
   17    HA   THR   2           HA       THR   2  -3.782  11.790  -3.297
   18    HB   THR   2           HB       THR   2  -4.323  10.047  -1.505
   19    HG1  THR   2           HG1      THR   2  -6.336   9.556  -1.396
   20   1HG2  THR   2          1HG2      THR   2  -4.913  11.580   0.335
   21   2HG2  THR   2          2HG2      THR   2  -5.558  12.765  -0.787
   22   3HG2  THR   2          3HG2      THR   2  -3.829  12.450  -0.736
   23    H    TYR   3           H        TYR   3  -3.426   9.456  -3.429
   24    HA   TYR   3           HA       TYR   3  -5.005   8.180  -5.645
   25   1HB   TYR   3          1HB       TYR   3  -2.071   7.640  -4.976
   26   2HB   TYR   3          2HB       TYR   3  -2.958   7.098  -6.397
   27    HD1  TYR   3           HD1      TYR   3  -1.723  10.239  -4.739
   28    HD2  TYR   3           HD2      TYR   3  -2.784   8.296  -8.383
   29    HE1  TYR   3           HE1      TYR   3  -0.866  12.143  -6.014
   30    HE2  TYR   3           HE2      TYR   3  -1.921  10.205  -9.646
   31    HH   TYR   3           HH       TYR   3  -1.030  12.232  -9.555
   32    H    GLN   4           H        GLN   4  -5.275   5.852  -5.390
   33    HA   GLN   4           HA       GLN   4  -4.859   4.895  -2.581
   34   1HB   GLN   4          1HB       GLN   4  -7.050   4.168  -4.557
   35   2HB   GLN   4          2HB       GLN   4  -6.864   3.421  -2.984
   36   1HG   GLN   4          2HG       GLN   4  -7.305   6.413  -3.435
   37   2HG   GLN   4          1HG       GLN   4  -8.562   5.275  -2.995
   38   1HE2  GLN   4          2HE2      GLN   4  -6.156   3.998  -1.195
   39   2HE2  GLN   4          1HE2      GLN   4  -6.288   4.955   0.199
   40    H    CYS   5           H        CYS   5  -3.960   2.882  -2.233
   41    HA   CYS   5           HA       CYS   5  -2.241   1.804  -4.211
   42   1HB   CYS   5          1HB       CYS   5  -1.872   1.569  -1.842
   43   2HB   CYS   5          2HB       CYS   5  -3.330   0.598  -1.663
   44    H    GLN   6           H        GLN   6  -2.183  -0.567  -4.663
   45    HA   GLN   6           HA       GLN   6  -4.643  -1.312  -6.150
   46   1HB   GLN   6          1HB       GLN   6  -1.837  -2.471  -6.272
   47   2HB   GLN   6          2HB       GLN   6  -3.164  -2.914  -7.329
   48   1HG   GLN   6          2HG       GLN   6  -3.292  -0.553  -8.146
   49   2HG   GLN   6          1HG       GLN   6  -1.950  -0.124  -7.094
   50   1HE2  GLN   6          1HE2      GLN   6   0.034  -0.176  -8.122
   51   2HE2  GLN   6          2HE2      GLN   6   0.424  -1.150  -9.458
   52    H    TYR   7           H        TYR   7  -2.671  -2.459  -3.527
   53    HA   TYR   7           HA       TYR   7  -4.331  -4.932  -3.288
   54   1HB   TYR   7          1HB       TYR   7  -1.568  -4.244  -2.208
   55   2HB   TYR   7          2HB       TYR   7  -2.441  -5.707  -1.764
   56    HD1  TYR   7           HD1      TYR   7   0.074  -4.637  -3.836
   57    HD2  TYR   7           HD2      TYR   7  -3.535  -6.869  -4.066
   58    HE1  TYR   7           HE1      TYR   7   0.906  -5.775  -5.853
   59    HE2  TYR   7           HE2      TYR   7  -2.713  -7.997  -6.066
   60    HH   TYR   7           HH       TYR   7   0.472  -7.955  -7.050
   61    H    CYS   8           H        CYS   8  -3.072  -2.211  -1.406
   62    HA   CYS   8           HA       CYS   8  -5.036  -2.877   0.772
   63   1HB   CYS   8          1HB       CYS   8  -3.541  -1.983   2.347
   64   2HB   CYS   8          2HB       CYS   8  -2.477  -2.736   1.186
   65    H    GLU   9           H        GLU   9  -4.972  -0.507   2.044
   66    HA   GLU   9           HA       GLU   9  -6.269   1.386   0.114
   67   1HB   GLU   9          1HB       GLU   9  -7.902   0.310   1.669
   68   2HB   GLU   9          2HB       GLU   9  -6.936   0.818   3.054
   69   1HG   GLU   9          2HG       GLU   9  -8.936   2.233   2.736
   70   2HG   GLU   9          1HG       GLU   9  -7.493   3.197   2.638
   71    H1   HAC  10           H1       HAC  10  -0.915   4.823   1.667
   72   1H2   HAC  10          1H2       HAC  10   0.150   4.666  -0.575
   73   2H2   HAC  10          2H2       HAC  10   1.093   3.299  -0.047
   74   1H3   HAC  10          1H3       HAC  10   1.240   6.128   1.101
   75   2H3   HAC  10          2H3       HAC  10   2.435   5.372   0.059
   76   1H4   HAC  10          1H4       HAC  10   2.883   3.661   1.784
   77   2H4   HAC  10          2H4       HAC  10   3.106   5.262   2.468
   78   1H5   HAC  10          1H5       HAC  10   1.796   3.845   4.016
   79   2H5   HAC  10          2H5       HAC  10   0.828   5.199   3.461
   80   1H6   HAC  10          1H6       HAC  10   0.734   2.367   2.348
   81   2H6   HAC  10          2H6       HAC  10  -0.493   3.103   3.360
   82   1H7   HAC  10          1H7       HAC  10  -1.389   2.891  -0.305
   83   2H7   HAC  10          2H7       HAC  10  -1.319   1.898   1.104
   84    H8   HAC  10           H8       HAC  10  -2.910   3.576   2.261
   85   1HN8  HAC  10          1HN8      HAC  10  -3.760   1.700   0.128
   86    H    ARG  11           H        ARG  11  -2.817   5.651   1.986
   87    HA   ARG  11           HA       ARG  11  -3.834   6.848  -0.549
   88   1HB   ARG  11          1HB       ARG  11  -4.819   8.600   0.971
   89   2HB   ARG  11          2HB       ARG  11  -5.471   6.990   1.168
   90   1HG   ARG  11          2HG       ARG  11  -3.582   6.809   3.100
   91   2HG   ARG  11          1HG       ARG  11  -3.659   8.552   3.021
   92   1HD   ARG  11          2HD       ARG  11  -5.195   7.631   4.743
   93   2HD   ARG  11          1HD       ARG  11  -6.102   8.458   3.477
   94    HE   ARG  11           HE       ARG  11  -5.747   5.475   3.412
   95   1HH1  ARG  11          2HH2      ARG  11  -7.255   6.809   1.225
   96   2HH1  ARG  11          1HH2      ARG  11  -8.890   6.656   1.769
   97   1HH2  ARG  11          1HH1      ARG  11  -7.978   5.933   5.061
   98   2HH2  ARG  11          2HH1      ARG  11  -9.309   6.155   3.974
   99    H    SER  12           H        SER  12  -2.296   7.713  -1.554
  100    HA   SER  12           HA       SER  12  -0.051   9.141  -0.149
  101   1HB   SER  12          2HB       SER  12  -0.071   7.946  -2.964
  102   2HB   SER  12          1HB       SER  12   1.311   8.682  -2.173
  103    HG   SER  12           HG       SER  12   0.337   6.198  -1.907
  104    H    ALA  13           H        ALA  13   0.794  10.982  -1.344
  105    HA   ALA  13           HA       ALA  13  -1.372  12.543  -2.709
  106   1HB   ALA  13          1HB       ALA  13  -0.162  14.552  -1.885
  107   2HB   ALA  13          2HB       ALA  13   1.061  13.526  -1.150
  108   3HB   ALA  13          3HB       ALA  13  -0.585  13.505  -0.541
  109    H    ASP  14           H        ASP  14   1.487  10.908  -3.155
  110    HA   ASP  14           HA       ASP  14   2.038  12.341  -5.709
  111   1HB   ASP  14          1HB       ASP  14   3.778  12.886  -4.023
  112   2HB   ASP  14          2HB       ASP  14   4.065  11.172  -3.754
  113    H    SER  15           H        SER  15   2.706  11.200  -7.364
  114    HA   SER  15           HA       SER  15   2.457   8.213  -7.330
  115   1HB   SER  15          2HB       SER  15   1.567   8.558  -9.738
  116   2HB   SER  15          1HB       SER  15   0.486   9.178  -8.488
  117    HG   SER  15           HG       SER  15   0.834  11.117  -9.223
  118    H    SER  16           H        SER  16   5.647   8.408  -9.158
  119    HA   SER  16           HA       SER  16   3.306   6.746  -8.410
  120   1HB   SER  16          2HB       SER  16   4.605   4.973  -9.464
  121   2HB   SER  16          1HB       SER  16   4.431   6.415 -10.490
  122    HG   SER  16           HG       SER  16   6.515   6.585 -10.459
  123    H    ASN  17           H        ASN  17   4.361   8.069  -6.416
  124    HA   ASN  17           HA       ASN  17   6.371   6.716  -4.818
  125   1HB   ASN  17          1HB       ASN  17   5.479   9.041  -4.222
  126   2HB   ASN  17          2HB       ASN  17   3.950   8.306  -3.776
  127   1HD2  ASN  17          1HD2      ASN  17   6.523   6.215  -2.871
  128   2HD2  ASN  17          2HD2      ASN  17   6.634   6.703  -1.252
  129    H    LEU  18           H        LEU  18   2.972   6.506  -5.290
  130    HA   LEU  18           HA       LEU  18   2.194   4.563  -3.416
  131   1HB   LEU  18          1HB       LEU  18   0.696   6.031  -4.732
  132   2HB   LEU  18          2HB       LEU  18   1.193   5.218  -6.219
  133    HG   LEU  18           HG       LEU  18   0.180   3.046  -5.165
  134   1HD1  LEU  18          1HD1      LEU  18  -0.929   5.134  -3.232
  135   2HD1  LEU  18          2HD1      LEU  18   0.247   3.905  -2.798
  136   3HD1  LEU  18          3HD1      LEU  18  -1.369   3.444  -3.273
  137   1HD2  LEU  18          1HD2      LEU  18  -0.911   4.469  -6.902
  138   2HD2  LEU  18          2HD2      LEU  18  -1.621   5.455  -5.632
  139   3HD2  LEU  18          3HD2      LEU  18  -2.063   3.762  -5.792
  140    H    LYS  19           H        LYS  19   3.342   4.198  -6.721
  141    HA   LYS  19           HA       LYS  19   3.087   1.328  -6.804
  142   1HB   LYS  19          1HB       LYS  19   3.466   2.813  -8.838
  143   2HB   LYS  19          2HB       LYS  19   5.100   3.114  -8.283
  144   1HG   LYS  19          2HG       LYS  19   5.648   0.725  -8.474
  145   2HG   LYS  19          1HG       LYS  19   3.991   0.344  -8.918
  146   1HD   LYS  19          2HD       LYS  19   4.205   1.745 -10.962
  147   2HD   LYS  19          1HD       LYS  19   5.861   2.145 -10.528
  148   1HE   LYS  19          2HE       LYS  19   4.825  -0.683 -11.022
  149   2HE   LYS  19          1HE       LYS  19   5.757   0.256 -12.174
  150   1HZ   LYS  19          1HZ       LYS  19   7.581  -0.474 -11.199
  151   2HZ   LYS  19          2HZ       LYS  19   6.635  -1.299 -10.035
  152   3HZ   LYS  19          3HZ       LYS  19   7.129   0.297  -9.752
  153    H    THR  20           H        THR  20   5.803   3.457  -6.077
  154    HA   THR  20           HA       THR  20   7.781   1.597  -5.417
  155    HB   THR  20           HB       THR  20   7.269   4.274  -3.941
  156    HG1  THR  20           HG1      THR  20   7.237   4.484  -6.171
  157   1HG2  THR  20          1HG2      THR  20   9.746   4.285  -3.777
  158   2HG2  THR  20          2HG2      THR  20   9.855   2.812  -4.726
  159   3HG2  THR  20          3HG2      THR  20   9.213   2.763  -3.091
  160    H    HIS  21           H        HIS  21   5.239   2.952  -3.363
  161    HA   HIS  21           HA       HIS  21   5.767   1.673  -0.932
  162   1HB   HIS  21          1HB       HIS  21   4.052   3.239  -0.736
  163   2HB   HIS  21          2HB       HIS  21   3.332   2.856  -2.279
  164    HD1  HIS  21           HD1      HIS  21   3.291   1.694   1.258
  165    HD2  HIS  21           HD2      HIS  21   1.342   0.889  -2.240
  166    HE1  HIS  21           HE1      HIS  21   1.338   0.272   1.833
  167    H    ILE  22           H        ILE  22   3.498   0.550  -3.486
  168    HA   ILE  22           HA       ILE  22   2.947  -1.987  -2.412
  169    HB   ILE  22           HB       ILE  22   3.333  -1.370  -5.408
  170   1HG1  ILE  22          2HG1      ILE  22   0.741  -1.370  -3.784
  171   2HG1  ILE  22          1HG1      ILE  22   1.642   0.090  -4.112
  172   1HG2  ILE  22          1HG2      ILE  22   1.779  -3.567  -3.977
  173   2HG2  ILE  22          2HG2      ILE  22   3.249  -3.828  -4.886
  174   3HG2  ILE  22          3HG2      ILE  22   1.786  -3.347  -5.713
  175   1HD1  ILE  22          1HD1      ILE  22   0.476  -1.761  -6.237
  176   2HD1  ILE  22          2HD1      ILE  22   1.380  -0.289  -6.554
  177   3HD1  ILE  22          3HD1      ILE  22  -0.174  -0.212  -5.746
  178    H    LYS  23           H        LYS  23   5.403  -1.363  -4.834
  179    HA   LYS  23           HA       LYS  23   6.674  -3.774  -5.033
  180   1HB   LYS  23          1HB       LYS  23   7.201  -1.841  -6.388
  181   2HB   LYS  23          2HB       LYS  23   7.861  -0.964  -5.040
  182   1HG   LYS  23          2HG       LYS  23   9.039  -3.643  -5.874
  183   2HG   LYS  23          1HG       LYS  23   9.429  -2.224  -6.809
  184   1HD   LYS  23          2HD       LYS  23  10.009  -2.455  -3.805
  185   2HD   LYS  23          1HD       LYS  23  11.150  -2.861  -5.059
  186   1HE   LYS  23          2HE       LYS  23  11.703  -0.635  -4.426
  187   2HE   LYS  23          1HE       LYS  23  10.814  -0.440  -5.927
  188   1HZ   LYS  23          1HZ       LYS  23  10.262   0.661  -3.451
  189   2HZ   LYS  23          2HZ       LYS  23   9.010  -0.432  -3.775
  190   3HZ   LYS  23          3HZ       LYS  23   9.366   0.806  -4.882
  191    H    THR  24           H        THR  24   6.890  -1.687  -2.279
  192    HA   THR  24           HA       THR  24   9.048  -3.332  -1.081
  193    HB   THR  24           HB       THR  24   7.980  -0.640  -0.102
  194    HG1  THR  24           HG1      THR  24   8.739  -0.348  -2.090
  195   1HG2  THR  24          1HG2      THR  24  10.702  -2.044   0.157
  196   2HG2  THR  24          2HG2      THR  24   9.526  -2.030   1.462
  197   3HG2  THR  24          3HG2      THR  24  10.246  -0.527   0.913
  198    H    LYS  25           H        LYS  25   5.825  -2.160  -0.145
  199    HA   LYS  25           HA       LYS  25   5.904  -3.723   2.353
  200   1HB   LYS  25          1HB       LYS  25   3.700  -1.970   1.222
  201   2HB   LYS  25          2HB       LYS  25   3.747  -2.643   2.847
  202   1HG   LYS  25          2HG       LYS  25   5.980  -1.390   3.142
  203   2HG   LYS  25          1HG       LYS  25   5.630  -0.591   1.620
  204   1HD   LYS  25          2HD       LYS  25   3.371   0.102   2.647
  205   2HD   LYS  25          1HD       LYS  25   3.971  -0.496   4.173
  206   1HE   LYS  25          2HE       LYS  25   4.360   1.912   4.054
  207   2HE   LYS  25          1HE       LYS  25   5.913   1.088   4.017
  208   1HZ   LYS  25          1HZ       LYS  25   4.956   1.338   1.394
  209   2HZ   LYS  25          2HZ       LYS  25   6.342   2.033   2.088
  210   3HZ   LYS  25          3HZ       LYS  25   4.855   2.854   2.148
  211    H    HIS  26           H        HIS  26   4.521  -4.120  -0.795
  212    HA   HIS  26           HA       HIS  26   2.876  -6.425   0.141
  213   1HB   HIS  26          1HB       HIS  26   2.724  -4.736  -2.392
  214   2HB   HIS  26          2HB       HIS  26   1.690  -6.118  -2.088
  215    HD1  HIS  26           HD1      HIS  26   0.723  -5.617   0.684
  216    HD2  HIS  26           HD2      HIS  26   1.167  -2.512  -1.941
  217    HE1  HIS  26           HE1      HIS  26  -0.724  -3.775   1.503
  218    H    SER  27           H        SER  27   5.206  -5.250  -2.066
  219    HA   SER  27           HA       SER  27   6.536  -6.205  -3.725
  220   1HB   SER  27          2HB       SER  27   8.229  -7.713  -2.624
  221   2HB   SER  27          1HB       SER  27   7.841  -6.345  -1.580
  222    HG   SER  27           HG       SER  27   6.104  -8.434  -1.293
  223    H    LYS  28           H        LYS  28   4.004  -7.219  -3.993
  224    HA   LYS  28           HA       LYS  28   4.518  -9.978  -5.044
  225   1HB   LYS  28          1HB       LYS  28   3.000  -9.772  -2.955
  226   2HB   LYS  28          2HB       LYS  28   1.843  -8.914  -3.962
  227   1HG   LYS  28          2HG       LYS  28   1.736 -10.912  -5.485
  228   2HG   LYS  28          1HG       LYS  28   2.893 -11.743  -4.466
  229   1HD   LYS  28          2HD       LYS  28   0.088 -10.875  -3.651
  230   2HD   LYS  28          1HD       LYS  28   0.631 -12.513  -3.932
  231   1HE   LYS  28          2HE       LYS  28   0.723 -12.341  -1.566
  232   2HE   LYS  28          1HE       LYS  28   2.387 -12.038  -2.031
  233   1HZ   LYS  28          1HZ       LYS  28   2.277 -10.052  -1.096
  234   2HZ   LYS  28          2HZ       LYS  28   0.693 -10.392  -0.584
  235   3HZ   LYS  28          3HZ       LYS  28   0.963  -9.614  -2.067
  236    H    GLU  29           H        GLU  29   5.221  -7.833  -6.267
  237    HA   GLU  29           HA       GLU  29   3.296  -7.429  -8.503
  238   1HB   GLU  29          1HB       GLU  29   3.322  -5.413  -6.991
  239   2HB   GLU  29          2HB       GLU  29   5.063  -5.312  -7.138
  240   1HG   GLU  29          2HG       GLU  29   4.833  -4.868  -9.589
  241   2HG   GLU  29          1HG       GLU  29   3.093  -5.022  -9.459
  242    H    LYS  30           H        LYS  30   4.624  -9.311  -9.087
  243    HA   LYS  30           HA       LYS  30   7.360  -8.633 -10.099
  244   1HB   LYS  30          1HB       LYS  30   6.082 -11.369  -9.732
  245   2HB   LYS  30          2HB       LYS  30   7.767 -11.048 -10.107
  246   1HG   LYS  30          2HG       LYS  30   7.994  -9.838  -7.913
  247   2HG   LYS  30          1HG       LYS  30   6.322 -10.231  -7.545
  248   1HD   LYS  30          2HD       LYS  30   6.899 -12.683  -7.779
  249   2HD   LYS  30          1HD       LYS  30   8.577 -12.229  -7.998
  250   1HE   LYS  30          2HE       LYS  30   8.238 -12.818  -5.649
  251   2HE   LYS  30          1HE       LYS  30   8.489 -11.083  -5.729
  252   1HZ   LYS  30          1HZ       LYS  30   6.304 -12.463  -4.703
  253   2HZ   LYS  30          2HZ       LYS  30   5.760 -11.600  -6.061
  254   3HZ   LYS  30          3HZ       LYS  30   6.543 -10.792  -4.790
  Start of MODEL   22
    1   1H    LYS   1          1H        LYS   1  -8.070  13.123  -9.566
    2   2H    LYS   1          2H        LYS   1  -6.479  12.699  -9.988
    3   3H    LYS   1          3H        LYS   1  -6.892  12.916  -8.358
    4    HA   LYS   1           HA       LYS   1  -8.635  11.020  -9.409
    5   1HB   LYS   1          2HB       LYS   1  -6.894  10.667 -11.169
    6   2HB   LYS   1          1HB       LYS   1  -5.674  10.441  -9.936
    7   1HG   LYS   1          2HG       LYS   1  -7.040   8.439  -9.092
    8   2HG   LYS   1          1HG       LYS   1  -8.117   8.669 -10.455
    9   1HD   LYS   1          2HD       LYS   1  -6.577   6.986 -11.172
   10   2HD   LYS   1          1HD       LYS   1  -6.017   8.451 -11.954
   11   1HE   LYS   1          2HE       LYS   1  -4.295   8.760 -10.159
   12   2HE   LYS   1          1HE       LYS   1  -4.892   7.313  -9.356
   13   1HZ   LYS   1          1HZ       LYS   1  -3.604   6.105 -10.618
   14   2HZ   LYS   1          2HZ       LYS   1  -3.018   7.498 -11.390
   15   3HZ   LYS   1          3HZ       LYS   1  -4.367   6.680 -12.021
   16    H    THR   2           H        THR   2  -5.480  11.259  -7.991
   17    HA   THR   2           HA       THR   2  -4.818  11.258  -5.700
   18    HB   THR   2           HB       THR   2  -7.215   9.376  -5.080
   19    HG1  THR   2           HG1      THR   2  -7.015  12.069  -5.492
   20   1HG2  THR   2          1HG2      THR   2  -6.812  10.078  -2.754
   21   2HG2  THR   2          2HG2      THR   2  -5.535  11.180  -3.242
   22   3HG2  THR   2          3HG2      THR   2  -5.298   9.444  -3.350
   23    H    TYR   3           H        TYR   3  -3.847   9.396  -4.463
   24    HA   TYR   3           HA       TYR   3  -3.416   7.033  -6.236
   25   1HB   TYR   3          1HB       TYR   3  -1.433   8.631  -4.565
   26   2HB   TYR   3          2HB       TYR   3  -1.038   7.100  -5.309
   27    HD1  TYR   3           HD1      TYR   3  -1.996  10.610  -5.995
   28    HD2  TYR   3           HD2      TYR   3  -0.808   6.908  -7.731
   29    HE1  TYR   3           HE1      TYR   3  -1.609  11.736  -8.134
   30    HE2  TYR   3           HE2      TYR   3  -0.424   8.033  -9.865
   31    HH   TYR   3           HH       TYR   3  -0.874  11.537 -10.209
   32    H    GLN   4           H        GLN   4  -4.968   5.941  -5.218
   33    HA   GLN   4           HA       GLN   4  -4.593   5.248  -2.342
   34   1HB   GLN   4          1HB       GLN   4  -6.879   6.055  -3.423
   35   2HB   GLN   4          2HB       GLN   4  -6.953   4.462  -4.132
   36   1HG   GLN   4          2HG       GLN   4  -6.930   5.172  -1.167
   37   2HG   GLN   4          1HG       GLN   4  -8.223   4.406  -2.072
   38   1HE2  GLN   4          1HE2      GLN   4  -5.519   3.825  -0.136
   39   2HE2  GLN   4          2HE2      GLN   4  -5.354   2.157  -0.420
   40    H    CYS   5           H        CYS   5  -3.433   3.388  -2.060
   41    HA   CYS   5           HA       CYS   5  -2.187   1.832  -3.847
   42   1HB   CYS   5          1HB       CYS   5  -2.001   1.724  -1.414
   43   2HB   CYS   5          2HB       CYS   5  -3.511   0.825  -1.341
   44    H    GLN   6           H        GLN   6  -2.330  -0.260  -4.632
   45    HA   GLN   6           HA       GLN   6  -5.083  -1.025  -5.555
   46   1HB   GLN   6          1HB       GLN   6  -2.344  -1.553  -6.797
   47   2HB   GLN   6          2HB       GLN   6  -3.864  -2.064  -7.499
   48   1HG   GLN   6          2HG       GLN   6  -3.146   0.863  -6.939
   49   2HG   GLN   6          1HG       GLN   6  -2.994   0.080  -8.502
   50   1HE2  GLN   6          1HE2      GLN   6  -5.191   1.892  -6.581
   51   2HE2  GLN   6          2HE2      GLN   6  -6.573   1.513  -7.477
   52    H    TYR   7           H        TYR   7  -3.686  -1.737  -3.052
   53    HA   TYR   7           HA       TYR   7  -4.180  -4.655  -3.129
   54   1HB   TYR   7          1HB       TYR   7  -1.588  -3.372  -2.176
   55   2HB   TYR   7          2HB       TYR   7  -2.001  -5.055  -1.882
   56    HD1  TYR   7           HD1      TYR   7  -2.341  -6.600  -3.886
   57    HD2  TYR   7           HD2      TYR   7  -0.774  -2.663  -4.315
   58    HE1  TYR   7           HE1      TYR   7  -1.521  -7.166  -6.122
   59    HE2  TYR   7           HE2      TYR   7   0.037  -3.234  -6.552
   60    HH   TYR   7           HH       TYR   7  -0.529  -6.421  -7.981
   61    H    CYS   8           H        CYS   8  -3.032  -2.051  -1.035
   62    HA   CYS   8           HA       CYS   8  -4.879  -2.971   1.145
   63   1HB   CYS   8          1HB       CYS   8  -3.323  -2.148   2.728
   64   2HB   CYS   8          2HB       CYS   8  -2.305  -2.817   1.483
   65    H    GLU   9           H        GLU   9  -4.693  -0.609   2.629
   66    HA   GLU   9           HA       GLU   9  -6.231   1.267   0.862
   67   1HB   GLU   9          1HB       GLU   9  -7.458   0.095   2.811
   68   2HB   GLU   9          2HB       GLU   9  -6.536   1.138   3.879
   69   1HG   GLU   9          2HG       GLU   9  -7.366   3.121   2.340
   70   2HG   GLU   9          1HG       GLU   9  -8.479   1.947   1.676
   71    H1   HAC  10           H1       HAC  10  -0.778   4.759   2.238
   72   1H2   HAC  10          1H2       HAC  10   0.324   4.783   0.006
   73   2H2   HAC  10          2H2       HAC  10   1.232   3.355   0.424
   74   1H3   HAC  10          1H3       HAC  10   1.425   6.057   1.808
   75   2H3   HAC  10          2H3       HAC  10   2.608   5.366   0.711
   76   1H4   HAC  10          1H4       HAC  10   3.015   3.507   2.286
   77   2H4   HAC  10          2H4       HAC  10   3.266   5.040   3.103
   78   1H5   HAC  10          1H5       HAC  10   1.937   3.480   4.511
   79   2H5   HAC  10          2H5       HAC  10   1.018   4.920   4.125
   80   1H6   HAC  10          1H6       HAC  10   0.779   2.199   2.788
   81   2H6   HAC  10          2H6       HAC  10  -0.411   2.953   3.825
   82   1H7   HAC  10          1H7       HAC  10  -1.221   2.987   0.112
   83   2H7   HAC  10          2H7       HAC  10  -1.237   1.907   1.443
   84    H8   HAC  10           H8       HAC  10  -2.756   3.699   2.650
   85   1HN8  HAC  10          1HN8      HAC  10  -3.640   1.664   0.651
   86    H    ARG  11           H        ARG  11  -2.849   5.833   2.226
   87    HA   ARG  11           HA       ARG  11  -3.778   6.652  -0.503
   88   1HB   ARG  11          1HB       ARG  11  -5.384   6.615   1.518
   89   2HB   ARG  11          2HB       ARG  11  -4.582   8.086   2.018
   90   1HG   ARG  11          2HG       ARG  11  -5.144   9.173  -0.115
   91   2HG   ARG  11          1HG       ARG  11  -5.803   7.676  -0.747
   92   1HD   ARG  11          2HD       ARG  11  -6.939   9.306   1.571
   93   2HD   ARG  11          1HD       ARG  11  -7.676   9.043  -0.005
   94    HE   ARG  11           HE       ARG  11  -7.262   6.912   2.062
   95   1HH1  ARG  11          1HH2      ARG  11  -9.502   8.505   0.079
   96   2HH1  ARG  11          2HH2      ARG  11 -10.396   7.073  -0.306
   97   1HH2  ARG  11          1HH1      ARG  11  -8.102   4.949   1.256
   98   2HH2  ARG  11          2HH1      ARG  11  -9.591   5.019   0.373
   99    H    SER  12           H        SER  12  -2.305   7.636  -1.515
  100    HA   SER  12           HA       SER  12  -0.639   9.767  -0.257
  101   1HB   SER  12          2HB       SER  12   0.042   7.961  -2.645
  102   2HB   SER  12          1HB       SER  12   1.088   9.203  -1.980
  103    HG   SER  12           HG       SER  12   0.191   7.644   0.011
  104    H    ALA  13           H        ALA  13   0.130  11.249  -2.139
  105    HA   ALA  13           HA       ALA  13  -2.191  11.891  -3.928
  106   1HB   ALA  13          1HB       ALA  13  -0.346  13.806  -2.443
  107   2HB   ALA  13          2HB       ALA  13  -2.019  13.468  -2.032
  108   3HB   ALA  13          3HB       ALA  13  -1.635  14.289  -3.539
  109    H    ASP  14           H        ASP  14   0.742  10.689  -3.961
  110    HA   ASP  14           HA       ASP  14   1.562  11.923  -6.555
  111   1HB   ASP  14          1HB       ASP  14   3.153  12.634  -4.890
  112   2HB   ASP  14          2HB       ASP  14   3.190  11.034  -4.153
  113    H    SER  15           H        SER  15   2.869  10.459  -7.885
  114    HA   SER  15           HA       SER  15   1.702   7.729  -7.913
  115   1HB   SER  15          2HB       SER  15   1.632   9.270  -9.990
  116   2HB   SER  15          1HB       SER  15   3.384   9.077 -10.074
  117    HG   SER  15           HG       SER  15   1.448   7.340 -10.750
  118    H    SER  16           H        SER  16   4.882   9.210  -8.530
  119    HA   SER  16           HA       SER  16   6.480   6.932  -8.476
  120   1HB   SER  16          2HB       SER  16   8.355   8.502  -7.822
  121   2HB   SER  16          1HB       SER  16   7.341   9.154  -9.110
  122    HG   SER  16           HG       SER  16   7.719  10.065  -6.608
  123    H    ASN  17           H        ASN  17   4.782   8.222  -5.830
  124    HA   ASN  17           HA       ASN  17   6.500   6.928  -3.789
  125   1HB   ASN  17          1HB       ASN  17   5.636   9.204  -3.328
  126   2HB   ASN  17          2HB       ASN  17   3.985   8.631  -3.497
  127   1HD2  ASN  17          2HD2      ASN  17   6.307   9.351  -1.239
  128   2HD2  ASN  17          1HD2      ASN  17   5.746   8.406   0.058
  129    H    LEU  18           H        LEU  18   3.095   6.807  -4.951
  130    HA   LEU  18           HA       LEU  18   2.344   4.650  -3.249
  131   1HB   LEU  18          1HB       LEU  18   0.749   6.107  -4.624
  132   2HB   LEU  18          2HB       LEU  18   1.235   5.209  -6.058
  133    HG   LEU  18           HG       LEU  18   0.459   3.054  -4.764
  134   1HD1  LEU  18          1HD1      LEU  18  -0.826   5.182  -2.993
  135   2HD1  LEU  18          2HD1      LEU  18   0.464   4.107  -2.489
  136   3HD1  LEU  18          3HD1      LEU  18  -1.106   3.454  -2.880
  137   1HD2  LEU  18          1HD2      LEU  18  -1.658   5.135  -5.422
  138   2HD2  LEU  18          2HD2      LEU  18  -1.901   3.405  -5.333
  139   3HD2  LEU  18          3HD2      LEU  18  -0.877   4.079  -6.584
  140    H    LYS  19           H        LYS  19   3.787   4.665  -6.487
  141    HA   LYS  19           HA       LYS  19   3.614   1.802  -6.800
  142   1HB   LYS  19          1HB       LYS  19   5.462   2.075  -8.515
  143   2HB   LYS  19          2HB       LYS  19   4.167   3.224  -8.763
  144   1HG   LYS  19          2HG       LYS  19   5.526   5.001  -7.682
  145   2HG   LYS  19          1HG       LYS  19   6.809   3.858  -7.363
  146   1HD   LYS  19          2HD       LYS  19   7.333   5.177  -9.375
  147   2HD   LYS  19          1HD       LYS  19   7.170   3.479  -9.748
  148   1HE   LYS  19          2HE       LYS  19   6.051   4.967 -11.439
  149   2HE   LYS  19          1HE       LYS  19   4.936   3.835 -10.709
  150   1HZ   LYS  19          1HZ       LYS  19   4.792   6.614 -10.762
  151   2HZ   LYS  19          2HZ       LYS  19   4.990   6.147  -9.145
  152   3HZ   LYS  19          3HZ       LYS  19   3.709   5.516 -10.052
  153    H    THR  20           H        THR  20   6.200   3.877  -5.495
  154    HA   THR  20           HA       THR  20   8.064   1.853  -4.855
  155    HB   THR  20           HB       THR  20   7.408   4.513  -3.420
  156    HG1  THR  20           HG1      THR  20   8.303   5.024  -5.273
  157   1HG2  THR  20          1HG2      THR  20   9.689   4.343  -2.473
  158   2HG2  THR  20          2HG2      THR  20   9.977   2.822  -3.309
  159   3HG2  THR  20          3HG2      THR  20   8.846   2.890  -1.964
  160    H    HIS  21           H        HIS  21   5.422   3.178  -2.890
  161    HA   HIS  21           HA       HIS  21   5.571   1.613  -0.613
  162   1HB   HIS  21          1HB       HIS  21   3.917   3.337  -0.655
  163   2HB   HIS  21          2HB       HIS  21   3.239   2.787  -2.167
  164    HD1  HIS  21           HD1      HIS  21   3.419   1.607   1.394
  165    HD2  HIS  21           HD2      HIS  21   1.161   1.050  -1.962
  166    HE1  HIS  21           HE1      HIS  21   1.496   0.199   2.061
  167    H    ILE  22           H        ILE  22   3.602   0.808  -3.488
  168    HA   ILE  22           HA       ILE  22   2.842  -1.793  -2.755
  169    HB   ILE  22           HB       ILE  22   3.357  -0.547  -5.495
  170   1HG1  ILE  22          2HG1      ILE  22   0.755  -1.080  -3.995
  171   2HG1  ILE  22          1HG1      ILE  22   1.574   0.465  -3.965
  172   1HG2  ILE  22          1HG2      ILE  22   1.881  -3.144  -4.858
  173   2HG2  ILE  22          2HG2      ILE  22   3.422  -3.041  -5.684
  174   3HG2  ILE  22          3HG2      ILE  22   1.992  -2.395  -6.446
  175   1HD1  ILE  22          1HD1      ILE  22  -0.212   0.489  -5.642
  176   2HD1  ILE  22          2HD1      ILE  22   0.483  -0.891  -6.469
  177   3HD1  ILE  22          3HD1      ILE  22   1.347   0.640  -6.436
  178    H    LYS  23           H        LYS  23   5.502  -0.905  -4.855
  179    HA   LYS  23           HA       LYS  23   6.672  -3.304  -5.429
  180   1HB   LYS  23          1HB       LYS  23   7.216  -0.967  -6.253
  181   2HB   LYS  23          2HB       LYS  23   8.161  -0.721  -4.804
  182   1HG   LYS  23          2HG       LYS  23   8.723  -3.121  -6.566
  183   2HG   LYS  23          1HG       LYS  23   9.289  -1.544  -7.063
  184   1HD   LYS  23          2HD       LYS  23  10.593  -1.273  -5.023
  185   2HD   LYS  23          1HD       LYS  23   9.985  -2.771  -4.352
  186   1HE   LYS  23          2HE       LYS  23  11.581  -2.577  -6.938
  187   2HE   LYS  23          1HE       LYS  23  12.249  -3.045  -5.384
  188   1HZ   LYS  23          1HZ       LYS  23  10.939  -4.636  -7.255
  189   2HZ   LYS  23          2HZ       LYS  23   9.970  -4.590  -5.863
  190   3HZ   LYS  23          3HZ       LYS  23  11.587  -5.094  -5.756
  191    H    THR  24           H        THR  24   6.975  -1.556  -2.406
  192    HA   THR  24           HA       THR  24   8.923  -3.502  -1.339
  193    HB   THR  24           HB       THR  24   9.090  -1.857   0.583
  194    HG1  THR  24           HG1      THR  24   7.487  -0.268  -1.084
  195   1HG2  THR  24          1HG2      THR  24   9.224  -0.538  -2.200
  196   2HG2  THR  24          2HG2      THR  24  10.510  -1.540  -1.550
  197   3HG2  THR  24          3HG2      THR  24  10.093  -0.027  -0.759
  198    H    LYS  25           H        LYS  25   5.603  -2.476  -0.513
  199    HA   LYS  25           HA       LYS  25   5.569  -4.446   1.713
  200   1HB   LYS  25          1HB       LYS  25   3.713  -2.151   1.025
  201   2HB   LYS  25          2HB       LYS  25   3.427  -3.282   2.342
  202   1HG   LYS  25          2HG       LYS  25   5.526  -2.633   3.430
  203   2HG   LYS  25          1HG       LYS  25   5.956  -1.611   2.076
  204   1HD   LYS  25          2HD       LYS  25   5.057  -0.289   3.980
  205   2HD   LYS  25          1HD       LYS  25   4.080  -0.102   2.541
  206   1HE   LYS  25          2HE       LYS  25   2.682  -0.390   4.582
  207   2HE   LYS  25          1HE       LYS  25   2.406  -1.707   3.462
  208   1HZ   LYS  25          1HZ       LYS  25   3.016  -3.117   5.013
  209   2HZ   LYS  25          2HZ       LYS  25   3.250  -1.838   6.104
  210   3HZ   LYS  25          3HZ       LYS  25   4.543  -2.384   5.148
  211    H    HIS  26           H        HIS  26   4.371  -4.342  -1.500
  212    HA   HIS  26           HA       HIS  26   2.442  -6.509  -0.832
  213   1HB   HIS  26          1HB       HIS  26   2.230  -4.403  -2.977
  214   2HB   HIS  26          2HB       HIS  26   1.109  -5.741  -2.803
  215    HD1  HIS  26           HD1      HIS  26   0.560  -5.692   0.160
  216    HD2  HIS  26           HD2      HIS  26   0.937  -2.254  -2.013
  217    HE1  HIS  26           HE1      HIS  26  -0.629  -3.915   1.446
  218    H    SER  27           H        SER  27   4.659  -5.386  -3.226
  219    HA   SER  27           HA       SER  27   4.430  -7.963  -4.702
  220   1HB   SER  27          2HB       SER  27   5.845  -5.382  -5.455
  221   2HB   SER  27          1HB       SER  27   5.697  -6.810  -6.497
  222    HG   SER  27           HG       SER  27   3.850  -4.932  -5.912
  223    H    LYS  28           H        LYS  28   7.145  -5.945  -3.860
  224    HA   LYS  28           HA       LYS  28   8.701  -8.429  -3.206
  225   1HB   LYS  28          1HB       LYS  28   9.769  -5.804  -4.355
  226   2HB   LYS  28          2HB       LYS  28  10.748  -7.207  -4.024
  227   1HG   LYS  28          2HG       LYS  28   8.490  -7.040  -6.081
  228   2HG   LYS  28          1HG       LYS  28  10.197  -7.007  -6.443
  229   1HD   LYS  28          2HD       LYS  28   8.778  -9.383  -5.145
  230   2HD   LYS  28          1HD       LYS  28   9.168  -9.253  -6.845
  231   1HE   LYS  28          2HE       LYS  28  11.584  -9.124  -6.322
  232   2HE   LYS  28          1HE       LYS  28  11.234  -9.216  -4.604
  233   1HZ   LYS  28          1HZ       LYS  28  11.209 -11.358  -4.736
  234   2HZ   LYS  28          2HZ       LYS  28  11.553 -11.306  -6.398
  235   3HZ   LYS  28          3HZ       LYS  28   9.939 -11.343  -5.865
  236    H    GLU  29           H        GLU  29  10.058  -7.082  -0.292
  237    HA   GLU  29           HA       GLU  29  10.502  -8.914  -2.607
  238   1HB   GLU  29          1HB       GLU  29  12.404  -7.699  -1.274
  239   2HB   GLU  29          2HB       GLU  29  12.088  -8.862  -0.017
  240   1HG   GLU  29          2HG       GLU  29  12.979  -9.411  -2.877
  241   2HG   GLU  29          1HG       GLU  29  13.880  -9.732  -1.409
  242    H    LYS  30           H        LYS  30   9.701  -8.721   0.840
  243    HA   LYS  30           HA       LYS  30   8.579 -11.502   0.741
  244   1HB   LYS  30          1HB       LYS  30   9.316  -9.795   3.166
  245   2HB   LYS  30          2HB       LYS  30   8.577 -11.376   3.248
  246   1HG   LYS  30          2HG       LYS  30  10.762 -12.023   3.531
  247   2HG   LYS  30          1HG       LYS  30  10.704 -12.093   1.783
  248   1HD   LYS  30          2HD       LYS  30  11.604  -9.728   1.705
  249   2HD   LYS  30          1HD       LYS  30  11.732  -9.759   3.448
  250   1HE   LYS  30          2HE       LYS  30  13.200 -11.701   1.608
  251   2HE   LYS  30          1HE       LYS  30  13.913 -10.300   2.388
  252   1HZ   LYS  30          1HZ       LYS  30  13.526 -12.868   3.415
  253   2HZ   LYS  30          2HZ       LYS  30  12.607 -11.785   4.346
  254   3HZ   LYS  30          3HZ       LYS  30  14.274 -11.532   4.148
  Start of MODEL   23
    1   1H    LYS   1          1H        LYS   1  -6.427  15.668  -6.247
    2   2H    LYS   1          2H        LYS   1  -7.009  14.667  -5.003
    3   3H    LYS   1          3H        LYS   1  -8.098  15.563  -5.945
    4    HA   LYS   1           HA       LYS   1  -8.304  13.831  -7.308
    5   1HB   LYS   1          2HB       LYS   1  -5.236  13.800  -7.586
    6   2HB   LYS   1          1HB       LYS   1  -6.400  13.147  -8.717
    7   1HG   LYS   1          2HG       LYS   1  -7.216  15.441  -9.210
    8   2HG   LYS   1          1HG       LYS   1  -6.059  16.104  -8.068
    9   1HD   LYS   1          2HD       LYS   1  -4.207  14.977  -9.434
   10   2HD   LYS   1          1HD       LYS   1  -5.424  14.552 -10.618
   11   1HE   LYS   1          2HE       LYS   1  -4.306  16.614 -11.327
   12   2HE   LYS   1          1HE       LYS   1  -5.961  17.003 -10.889
   13   1HZ   LYS   1          1HZ       LYS   1  -4.377  17.184  -8.592
   14   2HZ   LYS   1          2HZ       LYS   1  -5.207  18.421  -9.412
   15   3HZ   LYS   1          3HZ       LYS   1  -3.605  18.044  -9.837
   16    H    THR   2           H        THR   2  -5.337  13.551  -5.544
   17    HA   THR   2           HA       THR   2  -4.439  12.047  -4.068
   18    HB   THR   2           HB       THR   2  -7.291  11.023  -3.568
   19    HG1  THR   2           HG1      THR   2  -7.673  13.055  -3.156
   20   1HG2  THR   2          1HG2      THR   2  -6.509  10.954  -1.227
   21   2HG2  THR   2          2HG2      THR   2  -4.967  11.674  -1.669
   22   3HG2  THR   2          3HG2      THR   2  -5.362  10.041  -2.183
   23    H    TYR   3           H        TYR   3  -4.071   9.839  -3.613
   24    HA   TYR   3           HA       TYR   3  -4.771   7.911  -5.770
   25   1HB   TYR   3          1HB       TYR   3  -1.993   8.447  -4.621
   26   2HB   TYR   3          2HB       TYR   3  -2.375   7.111  -5.692
   27    HD1  TYR   3           HD1      TYR   3  -2.475  10.850  -5.519
   28    HD2  TYR   3           HD2      TYR   3  -2.282   7.412  -8.018
   29    HE1  TYR   3           HE1      TYR   3  -2.107  12.289  -7.468
   30    HE2  TYR   3           HE2      TYR   3  -1.918   8.848  -9.963
   31    HH   TYR   3           HH       TYR   3  -2.055  12.365  -9.713
   32    H    GLN   4           H        GLN   4  -5.136   5.892  -5.081
   33    HA   GLN   4           HA       GLN   4  -4.697   5.267  -2.185
   34   1HB   GLN   4          1HB       GLN   4  -7.042   4.539  -4.006
   35   2HB   GLN   4          2HB       GLN   4  -6.794   3.794  -2.443
   36   1HG   GLN   4          2HG       GLN   4  -7.092   6.810  -2.855
   37   2HG   GLN   4          1HG       GLN   4  -8.421   5.749  -2.435
   38   1HE2  GLN   4          2HE2      GLN   4  -6.176   4.230  -0.677
   39   2HE2  GLN   4          1HE2      GLN   4  -6.198   5.165   0.737
   40    H    CYS   5           H        CYS   5  -3.948   3.085  -1.795
   41    HA   CYS   5           HA       CYS   5  -2.356   2.007  -3.911
   42   1HB   CYS   5          1HB       CYS   5  -1.936   1.655  -1.513
   43   2HB   CYS   5          2HB       CYS   5  -3.375   0.650  -1.406
   44    H    GLN   6           H        GLN   6  -2.484  -0.311  -4.548
   45    HA   GLN   6           HA       GLN   6  -5.168  -0.862  -5.711
   46   1HB   GLN   6          1HB       GLN   6  -3.254  -0.504  -7.257
   47   2HB   GLN   6          2HB       GLN   6  -2.395  -1.838  -6.524
   48   1HG   GLN   6          2HG       GLN   6  -3.401  -2.594  -8.617
   49   2HG   GLN   6          1HG       GLN   6  -4.219  -3.410  -7.307
   50   1HE2  GLN   6          2HE2      GLN   6  -4.754  -1.703 -10.140
   51   2HE2  GLN   6          1HE2      GLN   6  -6.367  -1.245  -9.875
   52    H    TYR   7           H        TYR   7  -2.894  -2.127  -3.489
   53    HA   TYR   7           HA       TYR   7  -4.288  -4.775  -3.385
   54   1HB   TYR   7          1HB       TYR   7  -1.577  -3.907  -2.299
   55   2HB   TYR   7          2HB       TYR   7  -2.260  -5.511  -2.090
   56    HD1  TYR   7           HD1      TYR   7  -3.069  -6.677  -4.346
   57    HD2  TYR   7           HD2      TYR   7  -0.170  -3.560  -4.169
   58    HE1  TYR   7           HE1      TYR   7  -2.199  -7.364  -6.525
   59    HE2  TYR   7           HE2      TYR   7   0.696  -4.258  -6.359
   60    HH   TYR   7           HH       TYR   7   0.648  -5.839  -7.941
   61    H    CYS   8           H        CYS   8  -3.061  -2.139  -1.374
   62    HA   CYS   8           HA       CYS   8  -4.940  -2.951   0.822
   63   1HB   CYS   8          1HB       CYS   8  -3.367  -2.144   2.401
   64   2HB   CYS   8          2HB       CYS   8  -2.357  -2.837   1.157
   65    H    GLU   9           H        GLU   9  -4.691  -0.514   2.180
   66    HA   GLU   9           HA       GLU   9  -6.060   1.401   0.329
   67   1HB   GLU   9          1HB       GLU   9  -7.670   0.239   1.874
   68   2HB   GLU   9          2HB       GLU   9  -6.720   0.777   3.256
   69   1HG   GLU   9          2HG       GLU   9  -8.768   2.115   2.928
   70   2HG   GLU   9          1HG       GLU   9  -7.355   3.122   2.849
   71    H1   HAC  10           H1       HAC  10  -0.672   4.842   1.965
   72   1H2   HAC  10          1H2       HAC  10   0.264   4.753  -0.369
   73   2H2   HAC  10          2H2       HAC  10   1.297   3.428   0.111
   74   1H3   HAC  10          1H3       HAC  10   1.315   6.217   1.336
   75   2H3   HAC  10          2H3       HAC  10   2.497   5.600   0.192
   76   1H4   HAC  10          1H4       HAC  10   3.180   3.860   1.801
   77   2H4   HAC  10          2H4       HAC  10   3.307   5.440   2.551
   78   1H5   HAC  10          1H5       HAC  10   2.231   3.760   4.065
   79   2H5   HAC  10          2H5       HAC  10   1.185   5.125   3.746
   80   1H6   HAC  10          1H6       HAC  10   1.042   2.376   2.440
   81   2H6   HAC  10          2H6       HAC  10  -0.125   3.048   3.552
   82   1H7   HAC  10          1H7       HAC  10  -1.246   2.977  -0.059
   83   2H7   HAC  10          2H7       HAC  10  -1.109   1.949   1.318
   84    H8   HAC  10           H8       HAC  10  -2.683   3.526   2.599
   85   1HN8  HAC  10          1HN8      HAC  10  -3.510   1.715   0.416
   86    H    ARG  11           H        ARG  11  -2.389   5.727   2.337
   87    HA   ARG  11           HA       ARG  11  -3.887   6.977   0.075
   88   1HB   ARG  11          1HB       ARG  11  -3.385   8.015   2.888
   89   2HB   ARG  11          2HB       ARG  11  -4.345   8.829   1.668
   90   1HG   ARG  11          2HG       ARG  11  -6.056   7.185   1.749
   91   2HG   ARG  11          1HG       ARG  11  -5.046   5.980   2.518
   92   1HD   ARG  11          2HD       ARG  11  -4.933   7.673   4.512
   93   2HD   ARG  11          1HD       ARG  11  -6.294   8.461   3.725
   94    HE   ARG  11           HE       ARG  11  -7.545   6.319   3.942
   95   1HH1  ARG  11          2HH1      ARG  11  -5.411   4.371   4.433
   96   2HH1  ARG  11          1HH1      ARG  11  -5.359   4.253   6.154
   97   1HH2  ARG  11          1HH2      ARG  11  -7.203   7.161   6.684
   98   2HH2  ARG  11          2HH2      ARG  11  -6.405   5.825   7.448
   99    H    SER  12           H        SER  12  -2.667   7.882  -1.333
  100    HA   SER  12           HA       SER  12  -0.217   9.397  -0.556
  101   1HB   SER  12          2HB       SER  12  -0.538   7.742  -3.137
  102   2HB   SER  12          1HB       SER  12   0.899   8.576  -2.602
  103    HG   SER  12           HG       SER  12   1.331   6.889  -1.447
  104    H    ALA  13           H        ALA  13   0.346  10.888  -2.424
  105    HA   ALA  13           HA       ALA  13  -2.085  12.018  -3.755
  106   1HB   ALA  13          1HB       ALA  13  -1.602  13.317  -1.718
  107   2HB   ALA  13          2HB       ALA  13  -1.280  14.295  -3.142
  108   3HB   ALA  13          3HB       ALA  13   0.054  13.585  -2.245
  109    H    ASP  14           H        ASP  14   0.841  10.710  -4.075
  110    HA   ASP  14           HA       ASP  14   1.509  12.088  -6.641
  111   1HB   ASP  14          1HB       ASP  14   3.111  12.603  -4.852
  112   2HB   ASP  14          2HB       ASP  14   3.274  10.892  -4.474
  113    H    SER  15           H        SER  15   2.830  10.531  -8.093
  114    HA   SER  15           HA       SER  15   1.667   7.770  -7.934
  115   1HB   SER  15          2HB       SER  15   0.614   9.229  -9.718
  116   2HB   SER  15          1HB       SER  15   2.201   9.401 -10.480
  117    HG   SER  15           HG       SER  15   1.883   7.513 -11.309
  118    H    SER  16           H        SER  16   4.123   8.498  -6.892
  119    HA   SER  16           HA       SER  16   6.006   6.726  -8.396
  120   1HB   SER  16          2HB       SER  16   6.920   9.167  -6.717
  121   2HB   SER  16          1HB       SER  16   7.874   8.201  -7.844
  122    HG   SER  16           HG       SER  16   5.681   9.132  -9.085
  123    H    ASN  17           H        ASN  17   5.201   8.488  -5.563
  124    HA   ASN  17           HA       ASN  17   6.305   6.988  -3.470
  125   1HB   ASN  17          1HB       ASN  17   5.207   9.252  -3.270
  126   2HB   ASN  17          2HB       ASN  17   3.636   8.504  -3.495
  127   1HD2  ASN  17          1HD2      ASN  17   2.582   7.809  -1.548
  128   2HD2  ASN  17          2HD2      ASN  17   3.397   7.657  -0.074
  129    H    LEU  18           H        LEU  18   3.149   6.608  -5.074
  130    HA   LEU  18           HA       LEU  18   2.339   4.418  -3.412
  131   1HB   LEU  18          1HB       LEU  18   0.911   5.945  -5.066
  132   2HB   LEU  18          2HB       LEU  18   1.440   4.829  -6.318
  133    HG   LEU  18           HG       LEU  18   0.371   2.921  -4.972
  134   1HD1  LEU  18          1HD1      LEU  18   0.454   4.045  -2.718
  135   2HD1  LEU  18          2HD1      LEU  18  -1.171   3.569  -3.136
  136   3HD1  LEU  18          3HD1      LEU  18  -0.691   5.245  -3.290
  137   1HD2  LEU  18          1HD2      LEU  18  -0.843   4.065  -6.837
  138   2HD2  LEU  18          2HD2      LEU  18  -1.468   5.243  -5.697
  139   3HD2  LEU  18          3HD2      LEU  18  -1.934   3.562  -5.562
  140    H    LYS  19           H        LYS  19   4.099   4.518  -6.499
  141    HA   LYS  19           HA       LYS  19   4.070   1.655  -6.818
  142   1HB   LYS  19          1HB       LYS  19   6.083   3.746  -7.824
  143   2HB   LYS  19          2HB       LYS  19   6.129   2.055  -8.294
  144   1HG   LYS  19          2HG       LYS  19   3.719   2.303  -9.090
  145   2HG   LYS  19          1HG       LYS  19   3.877   4.031  -8.810
  146   1HD   LYS  19          2HD       LYS  19   5.689   4.188 -10.445
  147   2HD   LYS  19          1HD       LYS  19   5.736   2.442 -10.629
  148   1HE   LYS  19          2HE       LYS  19   3.349   2.510 -11.453
  149   2HE   LYS  19          1HE       LYS  19   3.415   4.266 -11.389
  150   1HZ   LYS  19          1HZ       LYS  19   4.346   4.269 -13.359
  151   2HZ   LYS  19          2HZ       LYS  19   4.283   2.572 -13.413
  152   3HZ   LYS  19          3HZ       LYS  19   5.654   3.349 -12.785
  153    H    THR  20           H        THR  20   6.571   3.803  -5.498
  154    HA   THR  20           HA       THR  20   8.439   1.876  -4.661
  155    HB   THR  20           HB       THR  20   8.974   3.656  -2.774
  156    HG1  THR  20           HG1      THR  20   7.350   4.910  -2.435
  157   1HG2  THR  20          1HG2      THR  20   9.985   3.817  -5.117
  158   2HG2  THR  20          2HG2      THR  20   9.679   5.386  -4.396
  159   3HG2  THR  20          3HG2      THR  20   8.587   4.745  -5.616
  160    H    HIS  21           H        HIS  21   5.497   3.022  -3.034
  161    HA   HIS  21           HA       HIS  21   5.723   1.561  -0.632
  162   1HB   HIS  21          1HB       HIS  21   4.058   3.257  -0.690
  163   2HB   HIS  21          2HB       HIS  21   3.434   2.749  -2.246
  164    HD1  HIS  21           HD1      HIS  21   3.413   1.550   1.320
  165    HD2  HIS  21           HD2      HIS  21   1.334   0.988  -2.152
  166    HE1  HIS  21           HE1      HIS  21   1.438   0.156   1.882
  167    H    ILE  22           H        ILE  22   3.751   0.718  -3.520
  168    HA   ILE  22           HA       ILE  22   3.017  -1.885  -2.820
  169    HB   ILE  22           HB       ILE  22   3.712  -0.734  -5.569
  170   1HG1  ILE  22          2HG1      ILE  22   0.991  -1.200  -4.254
  171   2HG1  ILE  22          1HG1      ILE  22   1.811   0.342  -4.200
  172   1HG2  ILE  22          1HG2      ILE  22   2.385  -2.643  -6.495
  173   2HG2  ILE  22          2HG2      ILE  22   2.181  -3.291  -4.875
  174   3HG2  ILE  22          3HG2      ILE  22   3.772  -3.240  -5.614
  175   1HD1  ILE  22          1HD1      ILE  22   0.171   0.303  -6.036
  176   2HD1  ILE  22          2HD1      ILE  22   0.941  -1.104  -6.742
  177   3HD1  ILE  22          3HD1      ILE  22   1.791   0.432  -6.695
  178    H    LYS  23           H        LYS  23   5.797  -1.008  -4.748
  179    HA   LYS  23           HA       LYS  23   7.073  -3.362  -5.248
  180   1HB   LYS  23          1HB       LYS  23   7.739  -1.231  -6.098
  181   2HB   LYS  23          2HB       LYS  23   8.239  -0.650  -4.520
  182   1HG   LYS  23          2HG       LYS  23   9.994  -2.503  -4.503
  183   2HG   LYS  23          1HG       LYS  23   9.548  -2.868  -6.154
  184   1HD   LYS  23          2HD       LYS  23  10.602  -0.183  -5.153
  185   2HD   LYS  23          1HD       LYS  23  11.561  -1.397  -5.967
  186   1HE   LYS  23          2HE       LYS  23  10.999   0.217  -7.656
  187   2HE   LYS  23          1HE       LYS  23   9.971  -1.168  -7.965
  188   1HZ   LYS  23          1HZ       LYS  23   8.657   0.538  -6.175
  189   2HZ   LYS  23          2HZ       LYS  23   8.219   0.119  -7.763
  190   3HZ   LYS  23          3HZ       LYS  23   9.215   1.463  -7.484
  191    H    THR  24           H        THR  24   7.108  -1.695  -2.183
  192    HA   THR  24           HA       THR  24   8.978  -3.687  -1.030
  193    HB   THR  24           HB       THR  24   8.005  -1.075   0.190
  194    HG1  THR  24           HG1      THR  24   9.040  -0.544  -1.584
  195   1HG2  THR  24          1HG2      THR  24   9.207  -2.759   1.749
  196   2HG2  THR  24          2HG2      THR  24  10.132  -1.293   1.470
  197   3HG2  THR  24          3HG2      THR  24  10.546  -2.772   0.615
  198    H    LYS  25           H        LYS  25   5.710  -2.506  -0.406
  199    HA   LYS  25           HA       LYS  25   5.443  -4.370   1.874
  200   1HB   LYS  25          1HB       LYS  25   3.672  -2.129   0.849
  201   2HB   LYS  25          2HB       LYS  25   3.276  -3.102   2.263
  202   1HG   LYS  25          2HG       LYS  25   5.962  -1.717   2.182
  203   2HG   LYS  25          1HG       LYS  25   4.539  -0.753   2.469
  204   1HD   LYS  25          2HD       LYS  25   5.507  -1.414   4.610
  205   2HD   LYS  25          1HD       LYS  25   3.950  -2.181   4.420
  206   1HE   LYS  25          2HE       LYS  25   5.001  -4.324   3.879
  207   2HE   LYS  25          1HE       LYS  25   6.599  -3.581   3.847
  208   1HZ   LYS  25          1HZ       LYS  25   5.351  -2.976   6.281
  209   2HZ   LYS  25          2HZ       LYS  25   6.740  -3.914   6.001
  210   3HZ   LYS  25          3HZ       LYS  25   5.206  -4.646   5.996
  211    H    HIS  26           H        HIS  26   4.509  -4.388  -1.426
  212    HA   HIS  26           HA       HIS  26   2.585  -6.587  -0.840
  213   1HB   HIS  26          1HB       HIS  26   2.460  -4.530  -3.051
  214   2HB   HIS  26          2HB       HIS  26   1.345  -5.873  -2.905
  215    HD1  HIS  26           HD1      HIS  26   0.621  -5.715   0.026
  216    HD2  HIS  26           HD2      HIS  26   1.085  -2.361  -2.257
  217    HE1  HIS  26           HE1      HIS  26  -0.652  -3.902   1.172
  218    H    SER  27           H        SER  27   4.658  -5.310  -3.284
  219    HA   SER  27           HA       SER  27   5.064  -8.039  -4.448
  220   1HB   SER  27          2HB       SER  27   5.374  -5.295  -5.781
  221   2HB   SER  27          1HB       SER  27   5.592  -6.863  -6.579
  222    HG   SER  27           HG       SER  27   3.304  -6.872  -5.181
  223    H    LYS  28           H        LYS  28   6.464  -8.086  -2.498
  224    HA   LYS  28           HA       LYS  28   9.246  -7.228  -3.164
  225   1HB   LYS  28          1HB       LYS  28   9.712  -7.170  -0.721
  226   2HB   LYS  28          2HB       LYS  28   8.414  -6.076  -1.111
  227   1HG   LYS  28          2HG       LYS  28   7.903  -8.869   0.045
  228   2HG   LYS  28          1HG       LYS  28   8.171  -7.463   1.016
  229   1HD   LYS  28          2HD       LYS  28   6.192  -6.401   0.388
  230   2HD   LYS  28          1HD       LYS  28   5.943  -7.345  -1.047
  231   1HE   LYS  28          2HE       LYS  28   5.802  -8.404   1.807
  232   2HE   LYS  28          1HE       LYS  28   4.414  -7.991   0.811
  233   1HZ   LYS  28          1HZ       LYS  28   4.486  -9.984  -0.064
  234   2HZ   LYS  28          2HZ       LYS  28   5.839 -10.383   0.883
  235   3HZ   LYS  28          3HZ       LYS  28   6.050  -9.708  -0.662
  236    H    GLU  29           H        GLU  29   7.264  -9.558  -1.561
  237    HA   GLU  29           HA       GLU  29   9.078 -11.786  -2.396
  238   1HB   GLU  29          1HB       GLU  29   7.586 -11.503   0.255
  239   2HB   GLU  29          2HB       GLU  29   8.458 -12.940  -0.237
  240   1HG   GLU  29          2HG       GLU  29   9.669 -10.178   0.253
  241   2HG   GLU  29          1HG       GLU  29   9.842 -11.585   1.284
  242    H    LYS  30           H        LYS  30   8.006 -13.850  -2.492
  243    HA   LYS  30           HA       LYS  30   5.078 -13.717  -3.096
  244   1HB   LYS  30          1HB       LYS  30   7.287 -15.013  -4.759
  245   2HB   LYS  30          2HB       LYS  30   5.596 -15.405  -4.971
  246   1HG   LYS  30          2HG       LYS  30   5.868 -13.744  -6.590
  247   2HG   LYS  30          1HG       LYS  30   5.255 -12.815  -5.244
  248   1HD   LYS  30          2HD       LYS  30   7.705 -12.220  -4.673
  249   2HD   LYS  30          1HD       LYS  30   8.160 -13.042  -6.139
  250   1HE   LYS  30          2HE       LYS  30   7.942 -10.629  -6.557
  251   2HE   LYS  30          1HE       LYS  30   6.698 -11.488  -7.451
  252   1HZ   LYS  30          1HZ       LYS  30   6.380  -9.476  -5.560
  253   2HZ   LYS  30          2HZ       LYS  30   5.711 -10.887  -4.897
  254   3HZ   LYS  30          3HZ       LYS  30   5.177 -10.321  -6.406
  Start of MODEL   24
    1   1H    LYS   1          1H        LYS   1  -5.745  16.929  -4.374
    2   2H    LYS   1          2H        LYS   1  -5.849  15.618  -3.304
    3   3H    LYS   1          3H        LYS   1  -7.216  16.106  -4.184
    4    HA   LYS   1           HA       LYS   1  -6.707  14.714  -5.792
    5   1HB   LYS   1          2HB       LYS   1  -5.416  16.708  -6.670
    6   2HB   LYS   1          1HB       LYS   1  -3.983  16.109  -5.863
    7   1HG   LYS   1          2HG       LYS   1  -4.161  13.977  -7.259
    8   2HG   LYS   1          1HG       LYS   1  -5.559  14.650  -8.060
    9   1HD   LYS   1          2HD       LYS   1  -3.722  15.089  -9.527
   10   2HD   LYS   1          1HD       LYS   1  -4.074  16.621  -8.764
   11   1HE   LYS   1          2HE       LYS   1  -1.699  16.431  -8.629
   12   2HE   LYS   1          1HE       LYS   1  -2.218  15.953  -7.024
   13   1HZ   LYS   1          1HZ       LYS   1  -2.170  13.682  -8.715
   14   2HZ   LYS   1          2HZ       LYS   1  -1.277  13.979  -7.321
   15   3HZ   LYS   1          3HZ       LYS   1  -0.704  14.516  -8.818
   16    H    THR   2           H        THR   2  -6.783  13.076  -4.124
   17    HA   THR   2           HA       THR   2  -4.127  11.882  -3.432
   18    HB   THR   2           HB       THR   2  -5.538  10.578  -1.679
   19    HG1  THR   2           HG1      THR   2  -7.471  12.412  -1.640
   20   1HG2  THR   2          1HG2      THR   2  -4.229  12.662  -1.035
   21   2HG2  THR   2          2HG2      THR   2  -5.728  12.513  -0.137
   22   3HG2  THR   2          3HG2      THR   2  -5.624  13.636  -1.480
   23    H    TYR   3           H        TYR   3  -3.911   9.722  -3.393
   24    HA   TYR   3           HA       TYR   3  -5.531   8.103  -5.312
   25   1HB   TYR   3          1HB       TYR   3  -2.492   8.073  -4.965
   26   2HB   TYR   3          2HB       TYR   3  -3.399   7.031  -6.052
   27    HD1  TYR   3           HD1      TYR   3  -2.805  10.681  -5.336
   28    HD2  TYR   3           HD2      TYR   3  -3.741   7.735  -8.273
   29    HE1  TYR   3           HE1      TYR   3  -2.687  12.380  -7.085
   30    HE2  TYR   3           HE2      TYR   3  -3.615   9.446 -10.017
   31    HH   TYR   3           HH       TYR   3  -3.328  12.842  -9.255
   32    H    GLN   4           H        GLN   4  -5.707   5.944  -4.804
   33    HA   GLN   4           HA       GLN   4  -4.970   5.165  -2.013
   34   1HB   GLN   4          1HB       GLN   4  -7.377   4.624  -3.764
   35   2HB   GLN   4          2HB       GLN   4  -6.949   3.412  -2.581
   36   1HG   GLN   4          2HG       GLN   4  -7.385   6.358  -1.876
   37   2HG   GLN   4          1HG       GLN   4  -8.652   5.150  -1.794
   38   1HE2  GLN   4          1HE2      GLN   4  -5.909   3.444  -0.920
   39   2HE2  GLN   4          2HE2      GLN   4  -5.976   3.685   0.755
   40    H    CYS   5           H        CYS   5  -4.063   2.985  -1.756
   41    HA   CYS   5           HA       CYS   5  -2.448   2.185  -3.989
   42   1HB   CYS   5          1HB       CYS   5  -1.854   1.737  -1.659
   43   2HB   CYS   5          2HB       CYS   5  -3.236   0.658  -1.494
   44    H    GLN   6           H        GLN   6  -2.463  -0.038  -4.842
   45    HA   GLN   6           HA       GLN   6  -5.239  -0.778  -5.734
   46   1HB   GLN   6          1HB       GLN   6  -2.524  -1.307  -7.005
   47   2HB   GLN   6          2HB       GLN   6  -4.043  -1.879  -7.650
   48   1HG   GLN   6          2HG       GLN   6  -3.275   0.154  -8.837
   49   2HG   GLN   6          1HG       GLN   6  -4.820   0.404  -8.065
   50   1HE2  GLN   6          2HE2      GLN   6  -4.763   2.612  -7.632
   51   2HE2  GLN   6          1HE2      GLN   6  -3.555   3.382  -6.727
   52    H    TYR   7           H        TYR   7  -3.580  -1.664  -3.319
   53    HA   TYR   7           HA       TYR   7  -4.242  -4.555  -3.530
   54   1HB   TYR   7          1HB       TYR   7  -1.580  -3.395  -2.584
   55   2HB   TYR   7          2HB       TYR   7  -2.011  -5.085  -2.420
   56    HD1  TYR   7           HD1      TYR   7  -2.971  -6.160  -4.719
   57    HD2  TYR   7           HD2      TYR   7  -0.367  -2.800  -4.517
   58    HE1  TYR   7           HE1      TYR   7  -2.281  -6.559  -7.029
   59    HE2  TYR   7           HE2      TYR   7   0.319  -3.201  -6.833
   60    HH   TYR   7           HH       TYR   7  -1.163  -5.733  -8.787
   61    H    CYS   8           H        CYS   8  -3.312  -1.855  -1.539
   62    HA   CYS   8           HA       CYS   8  -4.985  -2.900   0.723
   63   1HB   CYS   8          1HB       CYS   8  -3.371  -2.067   2.268
   64   2HB   CYS   8          2HB       CYS   8  -2.428  -2.767   0.980
   65    H    GLU   9           H        GLU   9  -4.817  -0.649   2.243
   66    HA   GLU   9           HA       GLU   9  -6.352   1.393   0.672
   67   1HB   GLU   9          1HB       GLU   9  -7.692   0.003   2.339
   68   2HB   GLU   9          2HB       GLU   9  -6.692   0.672   3.624
   69   1HG   GLU   9          2HG       GLU   9  -7.472   2.977   3.032
   70   2HG   GLU   9          1HG       GLU   9  -8.411   2.317   1.704
   71    H1   HAC  10           H1       HAC  10  -0.789   4.667   2.163
   72   1H2   HAC  10          1H2       HAC  10   0.189   4.570  -0.127
   73   2H2   HAC  10          2H2       HAC  10   1.051   3.104   0.280
   74   1H3   HAC  10          1H3       HAC  10   1.444   5.855   1.531
   75   2H3   HAC  10          2H3       HAC  10   2.557   5.026   0.464
   76   1H4   HAC  10          1H4       HAC  10   2.940   3.278   2.156
   77   2H4   HAC  10          2H4       HAC  10   3.231   4.845   2.885
   78   1H5   HAC  10          1H5       HAC  10   1.882   3.398   4.385
   79   2H5   HAC  10          2H5       HAC  10   0.980   4.831   3.916
   80   1H6   HAC  10          1H6       HAC  10   0.722   2.075   2.661
   81   2H6   HAC  10          2H6       HAC  10  -0.444   2.814   3.737
   82   1H7   HAC  10          1H7       HAC  10  -1.447   2.843   0.126
   83   2H7   HAC  10          2H7       HAC  10  -1.423   1.819   1.518
   84    H8   HAC  10           H8       HAC  10  -2.871   3.574   2.716
   85   1HN8  HAC  10          1HN8      HAC  10  -3.845   1.832   0.480
   86    H    ARG  11           H        ARG  11  -2.451   5.768   2.332
   87    HA   ARG  11           HA       ARG  11  -3.667   6.902  -0.154
   88   1HB   ARG  11          1HB       ARG  11  -3.515   8.035   2.637
   89   2HB   ARG  11          2HB       ARG  11  -4.047   8.957   1.240
   90   1HG   ARG  11          2HG       ARG  11  -5.866   7.343   0.830
   91   2HG   ARG  11          1HG       ARG  11  -5.334   6.360   2.187
   92   1HD   ARG  11          2HD       ARG  11  -7.244   7.848   2.814
   93   2HD   ARG  11          1HD       ARG  11  -5.811   8.245   3.754
   94    HE   ARG  11           HE       ARG  11  -6.711   9.807   1.352
   95   1HH1  ARG  11          2HH1      ARG  11  -4.055   9.703   3.259
   96   2HH1  ARG  11          1HH1      ARG  11  -4.194  11.297   3.919
   97   1HH2  ARG  11          1HH2      ARG  11  -7.428  11.765   2.680
   98   2HH2  ARG  11          2HH2      ARG  11  -6.138  12.482   3.590
   99    H    SER  12           H        SER  12  -2.563   8.012  -1.412
  100    HA   SER  12           HA       SER  12  -0.044   9.395  -0.591
  101   1HB   SER  12          2HB       SER  12  -0.369   7.903  -3.252
  102   2HB   SER  12          1HB       SER  12   1.066   8.655  -2.600
  103    HG   SER  12           HG       SER  12   0.137   7.061  -0.701
  104    H    ALA  13           H        ALA  13   0.593  10.879  -2.511
  105    HA   ALA  13           HA       ALA  13  -1.864  12.260  -3.522
  106   1HB   ALA  13          1HB       ALA  13   0.792  13.478  -2.660
  107   2HB   ALA  13          2HB       ALA  13  -0.711  13.554  -1.753
  108   3HB   ALA  13          3HB       ALA  13  -0.581  14.374  -3.298
  109    H    ASP  14           H        ASP  14   1.132  10.804  -4.325
  110    HA   ASP  14           HA       ASP  14   0.776  11.652  -7.170
  111   1HB   ASP  14          1HB       ASP  14   2.653  12.907  -5.980
  112   2HB   ASP  14          2HB       ASP  14   3.473  11.369  -5.757
  113    H    SER  15           H        SER  15   2.305  10.137  -8.566
  114    HA   SER  15           HA       SER  15   1.830   7.333  -7.623
  115   1HB   SER  15          2HB       SER  15   0.395   8.062  -9.553
  116   2HB   SER  15          1HB       SER  15   1.862   8.361 -10.504
  117    HG   SER  15           HG       SER  15   2.004   5.961  -9.289
  118    H    SER  16           H        SER  16   4.074   8.370  -6.778
  119    HA   SER  16           HA       SER  16   6.217   6.973  -8.325
  120   1HB   SER  16          2HB       SER  16   6.438   9.688  -6.890
  121   2HB   SER  16          1HB       SER  16   7.806   8.809  -7.606
  122    HG   SER  16           HG       SER  16   5.726  10.137  -8.760
  123    H    ASN  17           H        ASN  17   5.097   8.415  -5.342
  124    HA   ASN  17           HA       ASN  17   6.816   6.801  -3.633
  125   1HB   ASN  17          1HB       ASN  17   5.770   7.988  -1.813
  126   2HB   ASN  17          2HB       ASN  17   5.754   9.157  -3.120
  127   1HD2  ASN  17          1HD2      ASN  17   3.855   7.360  -0.971
  128   2HD2  ASN  17          2HD2      ASN  17   2.316   7.729  -1.563
  129    H    LEU  18           H        LEU  18   3.409   6.766  -4.661
  130    HA   LEU  18           HA       LEU  18   2.591   4.516  -3.125
  131   1HB   LEU  18          1HB       LEU  18   1.055   6.155  -4.417
  132   2HB   LEU  18          2HB       LEU  18   1.551   5.347  -5.905
  133    HG   LEU  18           HG       LEU  18   0.469   3.183  -5.046
  134   1HD1  LEU  18          1HD1      LEU  18  -0.949   3.327  -3.039
  135   2HD1  LEU  18          2HD1      LEU  18  -0.465   4.987  -2.766
  136   3HD1  LEU  18          3HD1      LEU  18   0.698   3.679  -2.587
  137   1HD2  LEU  18          1HD2      LEU  18  -1.345   5.630  -5.029
  138   2HD2  LEU  18          2HD2      LEU  18  -1.846   3.971  -5.305
  139   3HD2  LEU  18          3HD2      LEU  18  -0.810   4.785  -6.467
  140    H    LYS  19           H        LYS  19   4.138   4.748  -6.271
  141    HA   LYS  19           HA       LYS  19   3.906   1.953  -6.913
  142   1HB   LYS  19          1HB       LYS  19   6.206   3.859  -7.693
  143   2HB   LYS  19          2HB       LYS  19   5.715   2.435  -8.581
  144   1HG   LYS  19          2HG       LYS  19   3.804   4.771  -8.235
  145   2HG   LYS  19          1HG       LYS  19   5.020   4.780  -9.482
  146   1HD   LYS  19          2HD       LYS  19   2.999   4.003 -10.496
  147   2HD   LYS  19          1HD       LYS  19   4.060   2.619 -10.364
  148   1HE   LYS  19          2HE       LYS  19   2.808   1.733  -8.498
  149   2HE   LYS  19          1HE       LYS  19   1.873   3.216  -8.321
  150   1HZ   LYS  19          1HZ       LYS  19   1.335   0.976  -9.858
  151   2HZ   LYS  19          2HZ       LYS  19   1.635   2.249 -10.946
  152   3HZ   LYS  19          3HZ       LYS  19   0.437   2.414  -9.754
  153    H    THR  20           H        THR  20   6.565   3.805  -5.449
  154    HA   THR  20           HA       THR  20   8.295   1.715  -4.806
  155    HB   THR  20           HB       THR  20   7.644   4.243  -3.146
  156    HG1  THR  20           HG1      THR  20   8.234   4.771  -5.182
  157   1HG2  THR  20          1HG2      THR  20   9.978   4.036  -2.381
  158   2HG2  THR  20          2HG2      THR  20  10.245   2.612  -3.371
  159   3HG2  THR  20          3HG2      THR  20   9.186   2.524  -1.967
  160    H    HIS  21           H        HIS  21   5.691   3.026  -2.799
  161    HA   HIS  21           HA       HIS  21   5.669   1.328  -0.651
  162   1HB   HIS  21          1HB       HIS  21   4.137   3.131  -0.640
  163   2HB   HIS  21          2HB       HIS  21   3.470   2.734  -2.206
  164    HD1  HIS  21           HD1      HIS  21   3.397   1.429   1.312
  165    HD2  HIS  21           HD2      HIS  21   1.367   0.993  -2.207
  166    HE1  HIS  21           HE1      HIS  21   1.401   0.060   1.819
  167    H    ILE  22           H        ILE  22   3.822   0.718  -3.689
  168    HA   ILE  22           HA       ILE  22   2.908  -1.870  -3.053
  169    HB   ILE  22           HB       ILE  22   3.674  -0.606  -5.732
  170   1HG1  ILE  22          2HG1      ILE  22   0.933  -1.112  -4.493
  171   2HG1  ILE  22          1HG1      ILE  22   1.791   0.386  -4.267
  172   1HG2  ILE  22          1HG2      ILE  22   2.109  -3.189  -5.234
  173   2HG2  ILE  22          2HG2      ILE  22   3.702  -3.095  -5.958
  174   3HG2  ILE  22          3HG2      ILE  22   2.331  -2.420  -6.801
  175   1HD1  ILE  22          1HD1      ILE  22   0.188   0.581  -6.132
  176   2HD1  ILE  22          2HD1      ILE  22   0.931  -0.772  -6.962
  177   3HD1  ILE  22          3HD1      ILE  22   1.824   0.729  -6.738
  178    H    LYS  23           H        LYS  23   5.911  -1.055  -4.810
  179    HA   LYS  23           HA       LYS  23   6.733  -3.838  -4.752
  180   1HB   LYS  23          1HB       LYS  23   8.846  -3.080  -5.729
  181   2HB   LYS  23          2HB       LYS  23   7.467  -2.386  -6.552
  182   1HG   LYS  23          2HG       LYS  23   7.768  -0.265  -5.424
  183   2HG   LYS  23          1HG       LYS  23   9.055  -0.913  -4.414
  184   1HD   LYS  23          2HD       LYS  23  10.388  -1.388  -6.484
  185   2HD   LYS  23          1HD       LYS  23   9.110  -0.673  -7.453
  186   1HE   LYS  23          2HE       LYS  23   9.461   1.505  -6.442
  187   2HE   LYS  23          1HE       LYS  23  10.587   0.840  -5.259
  188   1HZ   LYS  23          1HZ       LYS  23  11.436   0.136  -7.833
  189   2HZ   LYS  23          2HZ       LYS  23  12.202   1.138  -6.695
  190   3HZ   LYS  23          3HZ       LYS  23  11.111   1.802  -7.817
  191    H    THR  24           H        THR  24   6.457  -2.004  -2.203
  192    HA   THR  24           HA       THR  24   8.968  -2.905  -0.852
  193    HB   THR  24           HB       THR  24   7.131  -0.541  -0.164
  194    HG1  THR  24           HG1      THR  24   8.511   0.402  -1.421
  195   1HG2  THR  24          1HG2      THR  24   8.278  -1.610   1.886
  196   2HG2  THR  24          2HG2      THR  24   8.887  -0.010   1.513
  197   3HG2  THR  24          3HG2      THR  24   9.813  -1.432   1.053
  198    H    LYS  25           H        LYS  25   5.495  -2.516  -0.375
  199    HA   LYS  25           HA       LYS  25   5.562  -4.444   1.889
  200   1HB   LYS  25          1HB       LYS  25   3.497  -2.367   1.139
  201   2HB   LYS  25          2HB       LYS  25   3.339  -3.501   2.477
  202   1HG   LYS  25          2HG       LYS  25   5.479  -2.575   3.432
  203   2HG   LYS  25          1HG       LYS  25   5.538  -1.415   2.125
  204   1HD   LYS  25          2HD       LYS  25   4.568  -0.363   4.121
  205   2HD   LYS  25          1HD       LYS  25   3.342  -0.476   2.880
  206   1HE   LYS  25          2HE       LYS  25   2.370  -2.479   3.984
  207   2HE   LYS  25          1HE       LYS  25   3.667  -2.480   5.168
  208   1HZ   LYS  25          1HZ       LYS  25   2.493   0.057   5.137
  209   2HZ   LYS  25          2HZ       LYS  25   2.499  -1.101   6.379
  210   3HZ   LYS  25          3HZ       LYS  25   1.255  -1.101   5.223
  211    H    HIS  26           H        HIS  26   4.371  -4.331  -1.361
  212    HA   HIS  26           HA       HIS  26   2.533  -6.595  -0.751
  213   1HB   HIS  26          1HB       HIS  26   2.580  -4.638  -3.072
  214   2HB   HIS  26          2HB       HIS  26   1.429  -5.942  -2.923
  215    HD1  HIS  26           HD1      HIS  26   0.648  -5.659   0.014
  216    HD2  HIS  26           HD2      HIS  26   1.104  -2.403  -2.419
  217    HE1  HIS  26           HE1      HIS  26  -0.660  -3.820   1.047
  218    H    SER  27           H        SER  27   4.996  -5.511  -2.915
  219    HA   SER  27           HA       SER  27   5.215  -8.135  -4.257
  220   1HB   SER  27          2HB       SER  27   5.543  -5.940  -5.531
  221   2HB   SER  27          1HB       SER  27   7.039  -5.731  -4.597
  222    HG   SER  27           HG       SER  27   7.925  -7.048  -5.903
  223    H    LYS  28           H        LYS  28   5.868  -9.505  -2.730
  224    HA   LYS  28           HA       LYS  28   8.525  -9.136  -1.404
  225   1HB   LYS  28          1HB       LYS  28   7.669 -10.834   0.238
  226   2HB   LYS  28          2HB       LYS  28   6.685  -9.390   0.171
  227   1HG   LYS  28          2HG       LYS  28   5.049 -10.576  -1.313
  228   2HG   LYS  28          1HG       LYS  28   6.055 -12.012  -1.273
  229   1HD   LYS  28          2HD       LYS  28   4.264 -12.303   0.348
  230   2HD   LYS  28          1HD       LYS  28   5.759 -12.090   1.235
  231   1HE   LYS  28          2HE       LYS  28   5.188  -9.665   1.597
  232   2HE   LYS  28          1HE       LYS  28   3.683  -9.914   0.726
  233   1HZ   LYS  28          1HZ       LYS  28   4.242 -10.386   3.411
  234   2HZ   LYS  28          2HZ       LYS  28   3.900 -11.885   2.688
  235   3HZ   LYS  28          3HZ       LYS  28   2.776 -10.617   2.583
  236    H    GLU  29           H        GLU  29   9.032 -11.854  -0.832
  237    HA   GLU  29           HA       GLU  29   9.464 -12.918  -3.603
  238   1HB   GLU  29          1HB       GLU  29  11.445 -12.190  -2.121
  239   2HB   GLU  29          2HB       GLU  29  11.098 -13.596  -1.132
  240   1HG   GLU  29          2HG       GLU  29  11.418 -15.092  -3.109
  241   2HG   GLU  29          1HG       GLU  29  11.704 -13.690  -4.123
  242    H    LYS  30           H        LYS  30   7.045 -13.453  -2.475
  243    HA   LYS  30           HA       LYS  30   7.165 -16.412  -2.159
  244   1HB   LYS  30          1HB       LYS  30   5.631 -14.482  -0.359
  245   2HB   LYS  30          2HB       LYS  30   5.249 -16.194  -0.457
  246   1HG   LYS  30          2HG       LYS  30   7.712 -16.660   0.105
  247   2HG   LYS  30          1HG       LYS  30   7.879 -14.943   0.426
  248   1HD   LYS  30          2HD       LYS  30   6.185 -15.039   2.193
  249   2HD   LYS  30          1HD       LYS  30   5.839 -16.718   1.817
  250   1HE   LYS  30          2HE       LYS  30   7.341 -16.554   3.779
  251   2HE   LYS  30          1HE       LYS  30   8.153 -17.360   2.448
  252   1HZ   LYS  30          1HZ       LYS  30   8.944 -15.071   3.814
  253   2HZ   LYS  30          2HZ       LYS  30   8.588 -14.605   2.222
  254   3HZ   LYS  30          3HZ       LYS  30   9.722 -15.835   2.515
  Start of MODEL   25
    1   1H    LYS   1          1H        LYS   1  -6.464  13.497  -6.877
    2   2H    LYS   1          2H        LYS   1  -7.099  15.048  -7.143
    3   3H    LYS   1          3H        LYS   1  -8.115  13.690  -7.224
    4    HA   LYS   1           HA       LYS   1  -7.503  15.283  -5.009
    5   1HB   LYS   1          2HB       LYS   1  -9.111  12.709  -5.382
    6   2HB   LYS   1          1HB       LYS   1  -9.150  13.656  -3.905
    7   1HG   LYS   1          2HG       LYS   1 -10.099  15.572  -5.078
    8   2HG   LYS   1          1HG       LYS   1  -9.889  14.795  -6.639
    9   1HD   LYS   1          2HD       LYS   1 -11.481  13.027  -6.027
   10   2HD   LYS   1          1HD       LYS   1 -11.633  13.654  -4.400
   11   1HE   LYS   1          2HE       LYS   1 -12.452  15.143  -6.939
   12   2HE   LYS   1          1HE       LYS   1 -13.562  14.313  -5.862
   13   1HZ   LYS   1          1HZ       LYS   1 -11.976  16.065  -4.350
   14   2HZ   LYS   1          2HZ       LYS   1 -13.654  16.088  -4.609
   15   3HZ   LYS   1          3HZ       LYS   1 -12.622  16.912  -5.674
   16    H    THR   2           H        THR   2  -7.432  11.741  -4.986
   17    HA   THR   2           HA       THR   2  -4.863  11.779  -3.465
   18    HB   THR   2           HB       THR   2  -7.301  10.040  -2.774
   19    HG1  THR   2           HG1      THR   2  -6.648  12.579  -2.195
   20   1HG2  THR   2          1HG2      THR   2  -4.677  10.518  -1.250
   21   2HG2  THR   2          2HG2      THR   2  -5.108   9.002  -2.029
   22   3HG2  THR   2          3HG2      THR   2  -6.043   9.574  -0.674
   23    H    TYR   3           H        TYR   3  -3.937   9.662  -3.363
   24    HA   TYR   3           HA       TYR   3  -4.315   7.993  -5.821
   25   1HB   TYR   3          1HB       TYR   3  -1.693   8.902  -4.493
   26   2HB   TYR   3          2HB       TYR   3  -1.784   7.708  -5.779
   27    HD1  TYR   3           HD1      TYR   3  -3.004  11.216  -5.063
   28    HD2  TYR   3           HD2      TYR   3  -1.520   8.484  -7.974
   29    HE1  TYR   3           HE1      TYR   3  -3.018  12.990  -6.730
   30    HE2  TYR   3           HE2      TYR   3  -1.535  10.283  -9.643
   31    HH   TYR   3           HH       TYR   3  -1.803  12.454 -10.009
   32    H    GLN   4           H        GLN   4  -5.466   6.465  -4.786
   33    HA   GLN   4           HA       GLN   4  -4.608   5.392  -2.209
   34   1HB   GLN   4          1HB       GLN   4  -6.942   4.778  -4.044
   35   2HB   GLN   4          2HB       GLN   4  -6.689   3.889  -2.559
   36   1HG   GLN   4          2HG       GLN   4  -6.932   6.938  -2.699
   37   2HG   GLN   4          1HG       GLN   4  -8.274   5.873  -2.332
   38   1HE2  GLN   4          1HE2      GLN   4  -6.127   4.099  -0.791
   39   2HE2  GLN   4          2HE2      GLN   4  -6.016   4.900   0.698
   40    H    CYS   5           H        CYS   5  -4.172   2.969  -1.916
   41    HA   CYS   5           HA       CYS   5  -2.476   2.055  -4.092
   42   1HB   CYS   5          1HB       CYS   5  -1.974   1.737  -1.700
   43   2HB   CYS   5          2HB       CYS   5  -3.359   0.657  -1.563
   44    H    GLN   6           H        GLN   6  -2.550  -0.023  -5.021
   45    HA   GLN   6           HA       GLN   6  -5.326  -0.808  -5.814
   46   1HB   GLN   6          1HB       GLN   6  -3.494   0.014  -7.502
   47   2HB   GLN   6          2HB       GLN   6  -2.740  -1.541  -7.254
   48   1HG   GLN   6          2HG       GLN   6  -4.131  -1.717  -9.227
   49   2HG   GLN   6          1HG       GLN   6  -4.960  -2.626  -7.971
   50   1HE2  GLN   6          1HE2      GLN   6  -7.116  -2.074  -7.693
   51   2HE2  GLN   6          2HE2      GLN   6  -7.814  -0.596  -8.161
   52    H    TYR   7           H        TYR   7  -3.603  -1.667  -3.465
   53    HA   TYR   7           HA       TYR   7  -4.093  -4.599  -3.698
   54   1HB   TYR   7          1HB       TYR   7  -1.558  -3.221  -2.674
   55   2HB   TYR   7          2HB       TYR   7  -1.842  -4.943  -2.521
   56    HD1  TYR   7           HD1      TYR   7  -2.280  -6.292  -4.708
   57    HD2  TYR   7           HD2      TYR   7  -0.830  -2.288  -4.758
   58    HE1  TYR   7           HE1      TYR   7  -1.600  -6.562  -7.049
   59    HE2  TYR   7           HE2      TYR   7  -0.161  -2.576  -7.097
   60    HH   TYR   7           HH       TYR   7   0.066  -5.502  -8.644
   61    H    CYS   8           H        CYS   8  -3.277  -1.896  -1.620
   62    HA   CYS   8           HA       CYS   8  -5.099  -2.967   0.515
   63   1HB   CYS   8          1HB       CYS   8  -3.649  -2.033   2.172
   64   2HB   CYS   8          2HB       CYS   8  -2.579  -2.746   0.994
   65    H    GLU   9           H        GLU   9  -5.169  -0.662   1.973
   66    HA   GLU   9           HA       GLU   9  -6.511   1.292   0.118
   67   1HB   GLU   9          1HB       GLU   9  -8.072  -0.091   1.599
   68   2HB   GLU   9          2HB       GLU   9  -7.326   0.655   3.002
   69   1HG   GLU   9          2HG       GLU   9  -9.414   1.844   2.373
   70   2HG   GLU   9          1HG       GLU   9  -8.043   2.915   2.178
   71    H1   HAC  10           H1       HAC  10  -1.215   4.570   2.345
   72   1H2   HAC  10          1H2       HAC  10  -0.186   4.487   0.001
   73   2H2   HAC  10          2H2       HAC  10   0.778   3.136   0.527
   74   1H3   HAC  10          1H3       HAC  10   1.122   6.026   1.104
   75   2H3   HAC  10          2H3       HAC  10   2.323   4.759   1.024
   76   1H4   HAC  10          1H4       HAC  10   2.374   5.386   3.295
   77   2H4   HAC  10          2H4       HAC  10   0.636   5.598   3.394
   78   1H5   HAC  10          1H5       HAC  10   2.081   2.925   3.076
   79   2H5   HAC  10          2H5       HAC  10   1.387   3.521   4.568
   80   1H6   HAC  10          1H6       HAC  10   0.061   1.868   2.824
   81   2H6   HAC  10          2H6       HAC  10  -0.739   2.915   3.969
   82   1H7   HAC  10          1H7       HAC  10  -1.704   2.714   0.214
   83   2H7   HAC  10          2H7       HAC  10  -1.876   1.774   1.646
   84    H8   HAC  10           H8       HAC  10  -3.380   3.609   2.546
   85   1HN8  HAC  10          1HN8      HAC  10  -4.070   1.764   0.281
   86    H    ARG  11           H        ARG  11  -2.830   5.710   2.128
   87    HA   ARG  11           HA       ARG  11  -3.443   6.845  -0.577
   88   1HB   ARG  11          1HB       ARG  11  -3.703   9.024   0.741
   89   2HB   ARG  11          2HB       ARG  11  -4.945   7.833   1.051
   90   1HG   ARG  11          2HG       ARG  11  -3.712   7.142   3.141
   91   2HG   ARG  11          1HG       ARG  11  -2.513   8.383   2.827
   92   1HD   ARG  11          2HD       ARG  11  -4.225   9.163   4.449
   93   2HD   ARG  11          1HD       ARG  11  -4.250  10.132   2.983
   94    HE   ARG  11           HE       ARG  11  -6.187   7.888   3.440
   95   1HH1  ARG  11          1HH2      ARG  11  -6.469  10.925   4.214
   96   2HH1  ARG  11          2HH2      ARG  11  -7.565  11.432   2.969
   97   1HH2  ARG  11          1HH1      ARG  11  -7.119   8.556   1.054
   98   2HH2  ARG  11          2HH1      ARG  11  -7.925  10.076   1.166
   99    H    SER  12           H        SER  12  -1.796   7.747  -1.587
  100    HA   SER  12           HA       SER  12   0.848   7.940  -0.205
  101   1HB   SER  12          2HB       SER  12   0.292   7.815  -3.201
  102   2HB   SER  12          1HB       SER  12   1.833   7.599  -2.392
  103    HG   SER  12           HG       SER  12  -0.368   5.934  -2.494
  104    H    ALA  13           H        ALA  13  -1.005   9.521  -2.705
  105    HA   ALA  13           HA       ALA  13  -1.606  11.922  -2.524
  106   1HB   ALA  13          1HB       ALA  13   1.386  12.306  -1.984
  107   2HB   ALA  13          2HB       ALA  13   0.107  12.540  -0.794
  108   3HB   ALA  13          3HB       ALA  13   0.205  13.590  -2.189
  109    H    ASP  14           H        ASP  14   1.213  10.398  -3.930
  110    HA   ASP  14           HA       ASP  14   0.601  11.716  -6.549
  111   1HB   ASP  14          1HB       ASP  14   2.632  12.654  -5.373
  112   2HB   ASP  14          2HB       ASP  14   3.356  11.053  -5.405
  113    H    SER  15           H        SER  15   1.849  10.415  -8.346
  114    HA   SER  15           HA       SER  15   1.185   7.524  -7.956
  115   1HB   SER  15          2HB       SER  15   0.937   7.516 -10.492
  116   2HB   SER  15          1HB       SER  15  -0.145   8.694  -9.751
  117    HG   SER  15           HG       SER  15   1.848   9.119 -11.450
  118    H    SER  16           H        SER  16   3.554   8.599  -7.049
  119    HA   SER  16           HA       SER  16   5.606   7.168  -8.700
  120   1HB   SER  16          2HB       SER  16   6.076   9.658  -8.789
  121   2HB   SER  16          1HB       SER  16   6.001   9.743  -7.021
  122    HG   SER  16           HG       SER  16   8.032   8.971  -8.567
  123    H    ASN  17           H        ASN  17   4.993   8.678  -5.583
  124    HA   ASN  17           HA       ASN  17   6.446   6.816  -4.008
  125   1HB   ASN  17          1HB       ASN  17   5.129   7.798  -2.079
  126   2HB   ASN  17          2HB       ASN  17   5.908   8.996  -3.081
  127   1HD2  ASN  17          2HD2      ASN  17   3.307   8.143  -4.974
  128   2HD2  ASN  17          1HD2      ASN  17   2.178   9.247  -4.358
  129    H    LEU  18           H        LEU  18   3.101   6.701  -5.231
  130    HA   LEU  18           HA       LEU  18   2.311   4.614  -3.420
  131   1HB   LEU  18          1HB       LEU  18   0.582   5.901  -4.693
  132   2HB   LEU  18          2HB       LEU  18   1.229   5.293  -6.212
  133    HG   LEU  18           HG       LEU  18   0.583   2.932  -5.553
  134   1HD1  LEU  18          1HD1      LEU  18   0.810   3.281  -3.037
  135   2HD1  LEU  18          2HD1      LEU  18  -0.665   2.507  -3.512
  136   3HD1  LEU  18          3HD1      LEU  18  -0.682   4.203  -3.079
  137   1HD2  LEU  18          1HD2      LEU  18  -1.024   4.358  -6.785
  138   2HD2  LEU  18          2HD2      LEU  18  -1.687   4.931  -5.264
  139   3HD2  LEU  18          3HD2      LEU  18  -1.827   3.236  -5.712
  140    H    LYS  19           H        LYS  19   3.738   4.535  -6.697
  141    HA   LYS  19           HA       LYS  19   3.563   1.664  -6.889
  142   1HB   LYS  19          1HB       LYS  19   4.278   3.507  -8.748
  143   2HB   LYS  19          2HB       LYS  19   5.883   3.235  -8.116
  144   1HG   LYS  19          2HG       LYS  19   5.723   1.649  -9.901
  145   2HG   LYS  19          1HG       LYS  19   5.469   0.703  -8.453
  146   1HD   LYS  19          2HD       LYS  19   3.788   0.001 -10.031
  147   2HD   LYS  19          1HD       LYS  19   2.955   0.909  -8.793
  148   1HE   LYS  19          2HE       LYS  19   2.156   1.586 -11.020
  149   2HE   LYS  19          1HE       LYS  19   3.001   2.940 -10.296
  150   1HZ   LYS  19          1HZ       LYS  19   4.844   1.339 -11.677
  151   2HZ   LYS  19          2HZ       LYS  19   4.393   2.949 -11.984
  152   3HZ   LYS  19          3HZ       LYS  19   3.532   1.671 -12.703
  153    H    THR  20           H        THR  20   6.134   3.855  -5.830
  154    HA   THR  20           HA       THR  20   8.107   2.039  -5.055
  155    HB   THR  20           HB       THR  20   7.256   4.553  -3.456
  156    HG1  THR  20           HG1      THR  20   8.212   4.117  -5.954
  157   1HG2  THR  20          1HG2      THR  20   9.999   3.237  -3.904
  158   2HG2  THR  20          2HG2      THR  20   9.083   3.032  -2.420
  159   3HG2  THR  20          3HG2      THR  20   9.666   4.623  -2.872
  160    H    HIS  21           H        HIS  21   5.444   3.274  -3.043
  161    HA   HIS  21           HA       HIS  21   5.639   1.771  -0.761
  162   1HB   HIS  21          1HB       HIS  21   3.910   3.386  -0.804
  163   2HB   HIS  21          2HB       HIS  21   3.261   2.848  -2.334
  164    HD1  HIS  21           HD1      HIS  21   3.326   1.712   1.243
  165    HD2  HIS  21           HD2      HIS  21   1.222   1.039  -2.185
  166    HE1  HIS  21           HE1      HIS  21   1.410   0.285   1.872
  167    H    ILE  22           H        ILE  22   3.619   0.753  -3.551
  168    HA   ILE  22           HA       ILE  22   2.996  -1.832  -2.755
  169    HB   ILE  22           HB       ILE  22   3.677  -0.847  -5.582
  170   1HG1  ILE  22          2HG1      ILE  22   0.945  -1.174  -4.251
  171   2HG1  ILE  22          1HG1      ILE  22   1.814   0.331  -4.142
  172   1HG2  ILE  22          1HG2      ILE  22   3.622  -3.362  -5.448
  173   2HG2  ILE  22          2HG2      ILE  22   2.261  -2.753  -6.354
  174   3HG2  ILE  22          3HG2      ILE  22   2.040  -3.286  -4.696
  175   1HD1  ILE  22          1HD1      ILE  22   1.858   0.516  -6.611
  176   2HD1  ILE  22          2HD1      ILE  22   0.212   0.397  -6.007
  177   3HD1  ILE  22          3HD1      ILE  22   0.986  -0.990  -6.756
  178    H    LYS  23           H        LYS  23   5.801  -1.081  -4.780
  179    HA   LYS  23           HA       LYS  23   7.036  -3.497  -5.080
  180   1HB   LYS  23          1HB       LYS  23   8.530  -0.979  -4.282
  181   2HB   LYS  23          2HB       LYS  23   9.237  -2.387  -5.040
  182   1HG   LYS  23          2HG       LYS  23   7.812  -2.018  -7.056
  183   2HG   LYS  23          1HG       LYS  23   7.162  -0.566  -6.312
  184   1HD   LYS  23          2HD       LYS  23   9.553   0.284  -6.059
  185   2HD   LYS  23          1HD       LYS  23  10.095  -1.108  -6.971
  186   1HE   LYS  23          2HE       LYS  23   9.932   0.782  -8.482
  187   2HE   LYS  23          1HE       LYS  23   8.637  -0.332  -8.895
  188   1HZ   LYS  23          1HZ       LYS  23   8.452   2.339  -8.127
  189   2HZ   LYS  23          2HZ       LYS  23   7.700   1.408  -6.920
  190   3HZ   LYS  23          3HZ       LYS  23   7.205   1.266  -8.538
  191    H    THR  24           H        THR  24   7.363  -1.562  -2.188
  192    HA   THR  24           HA       THR  24   8.958  -3.655  -0.839
  193    HB   THR  24           HB       THR  24   9.429  -1.857   0.868
  194    HG1  THR  24           HG1      THR  24   7.233  -0.851  -0.422
  195   1HG2  THR  24          1HG2      THR  24  10.606  -0.286  -0.632
  196   2HG2  THR  24          2HG2      THR  24   9.604  -0.746  -1.997
  197   3HG2  THR  24          3HG2      THR  24  10.781  -1.879  -1.345
  198    H    LYS  25           H        LYS  25   5.845  -2.091  -0.313
  199    HA   LYS  25           HA       LYS  25   5.448  -3.409   2.266
  200   1HB   LYS  25          1HB       LYS  25   3.537  -1.714   0.621
  201   2HB   LYS  25          2HB       LYS  25   3.329  -2.158   2.311
  202   1HG   LYS  25          2HG       LYS  25   5.566  -0.411   1.186
  203   2HG   LYS  25          1HG       LYS  25   4.178   0.141   2.097
  204   1HD   LYS  25          2HD       LYS  25   4.919  -1.205   4.061
  205   2HD   LYS  25          1HD       LYS  25   6.346  -1.701   3.161
  206   1HE   LYS  25          2HE       LYS  25   7.066   0.643   2.928
  207   2HE   LYS  25          1HE       LYS  25   5.638   1.182   3.809
  208   1HZ   LYS  25          1HZ       LYS  25   6.704   0.831   5.683
  209   2HZ   LYS  25          2HZ       LYS  25   8.079   0.313   4.830
  210   3HZ   LYS  25          3HZ       LYS  25   6.897  -0.812   5.304
  211    H    HIS  26           H        HIS  26   4.490  -4.052  -1.011
  212    HA   HIS  26           HA       HIS  26   2.681  -6.222  -0.060
  213   1HB   HIS  26          1HB       HIS  26   2.736  -4.588  -2.626
  214   2HB   HIS  26          2HB       HIS  26   1.674  -5.956  -2.420
  215    HD1  HIS  26           HD1      HIS  26   0.635  -5.536   0.353
  216    HD2  HIS  26           HD2      HIS  26   1.173  -2.361  -2.158
  217    HE1  HIS  26           HE1      HIS  26  -0.805  -3.710   1.212
  218    H    SER  27           H        SER  27   5.075  -5.342  -2.367
  219    HA   SER  27           HA       SER  27   6.548  -6.545  -3.724
  220   1HB   SER  27          2HB       SER  27   6.711  -8.225  -1.163
  221   2HB   SER  27          1HB       SER  27   7.958  -8.128  -2.416
  222    HG   SER  27           HG       SER  27   8.547  -6.307  -1.602
  223    H    LYS  28           H        LYS  28   3.727  -7.495  -3.800
  224    HA   LYS  28           HA       LYS  28   4.222 -10.195  -4.997
  225   1HB   LYS  28          1HB       LYS  28   1.838  -9.185  -3.363
  226   2HB   LYS  28          2HB       LYS  28   1.727 -10.621  -4.359
  227   1HG   LYS  28          2HG       LYS  28   3.677 -10.259  -2.042
  228   2HG   LYS  28          1HG       LYS  28   2.195 -11.190  -2.000
  229   1HD   LYS  28          2HD       LYS  28   3.147 -12.597  -3.934
  230   2HD   LYS  28          1HD       LYS  28   4.670 -11.753  -3.697
  231   1HE   LYS  28          2HE       LYS  28   4.772 -13.830  -2.462
  232   2HE   LYS  28          1HE       LYS  28   4.687 -12.511  -1.303
  233   1HZ   LYS  28          1HZ       LYS  28   2.966 -14.680  -1.590
  234   2HZ   LYS  28          2HZ       LYS  28   2.081 -13.282  -1.965
  235   3HZ   LYS  28          3HZ       LYS  28   2.875 -13.407  -0.468
  236    H    GLU  29           H        GLU  29   4.672  -8.052  -6.304
  237    HA   GLU  29           HA       GLU  29   3.488  -6.396  -7.801
  238   1HB   GLU  29          1HB       GLU  29   4.758  -8.849  -9.057
  239   2HB   GLU  29          2HB       GLU  29   4.485  -7.347  -9.916
  240   1HG   GLU  29          2HG       GLU  29   5.938  -6.148  -8.271
  241   2HG   GLU  29          1HG       GLU  29   6.185  -7.644  -7.390
  242    H    LYS  30           H        LYS  30   2.769  -9.704  -8.763
  243    HA   LYS  30           HA       LYS  30   0.232  -8.797 -10.040
  244   1HB   LYS  30          1HB       LYS  30   0.421 -11.118 -11.158
  245   2HB   LYS  30          2HB       LYS  30   1.575  -9.898 -11.634
  246   1HG   LYS  30          2HG       LYS  30   2.663 -12.100 -11.308
  247   2HG   LYS  30          1HG       LYS  30   3.331 -10.892 -10.238
  248   1HD   LYS  30          2HD       LYS  30   1.984 -11.803  -8.351
  249   2HD   LYS  30          1HD       LYS  30   1.245 -12.972  -9.438
  250   1HE   LYS  30          2HE       LYS  30   3.486 -13.969  -9.866
  251   2HE   LYS  30          1HE       LYS  30   4.227 -12.766  -8.818
  252   1HZ   LYS  30          1HZ       LYS  30   3.814 -14.049  -7.110
  253   2HZ   LYS  30          2HZ       LYS  30   3.079 -15.199  -8.117
  254   3HZ   LYS  30          3HZ       LYS  30   2.146 -13.971  -7.407
  Start of MODEL   26
    1   1H    LYS   1          1H        LYS   1  -6.673  14.462  -7.537
    2   2H    LYS   1          2H        LYS   1  -5.374  13.385  -7.357
    3   3H    LYS   1          3H        LYS   1  -5.165  14.830  -8.223
    4    HA   LYS   1           HA       LYS   1  -4.526  15.857  -6.408
    5   1HB   LYS   1          2HB       LYS   1  -7.035  16.277  -6.222
    6   2HB   LYS   1          1HB       LYS   1  -7.150  14.889  -5.158
    7   1HG   LYS   1          2HG       LYS   1  -5.706  15.974  -3.498
    8   2HG   LYS   1          1HG       LYS   1  -5.353  17.295  -4.602
    9   1HD   LYS   1          2HD       LYS   1  -7.791  17.904  -4.613
   10   2HD   LYS   1          1HD       LYS   1  -8.089  16.643  -3.428
   11   1HE   LYS   1          2HE       LYS   1  -6.615  17.766  -1.806
   12   2HE   LYS   1          1HE       LYS   1  -6.152  18.962  -3.011
   13   1HZ   LYS   1          1HZ       LYS   1  -8.938  18.890  -2.877
   14   2HZ   LYS   1          2HZ       LYS   1  -7.885  20.153  -2.455
   15   3HZ   LYS   1          3HZ       LYS   1  -8.343  19.005  -1.290
   16    H    THR   2           H        THR   2  -6.229  12.951  -5.263
   17    HA   THR   2           HA       THR   2  -3.722  12.092  -3.857
   18    HB   THR   2           HB       THR   2  -5.557  12.793  -2.237
   19    HG1  THR   2           HG1      THR   2  -4.051  10.726  -2.206
   20   1HG2  THR   2          1HG2      THR   2  -6.924  10.227  -3.233
   21   2HG2  THR   2          2HG2      THR   2  -7.554  11.838  -3.569
   22   3HG2  THR   2          3HG2      THR   2  -7.476  11.253  -1.919
   23    H    TYR   3           H        TYR   3  -4.006   9.830  -3.317
   24    HA   TYR   3           HA       TYR   3  -5.142   8.111  -5.480
   25   1HB   TYR   3          1HB       TYR   3  -2.242   7.954  -4.549
   26   2HB   TYR   3          2HB       TYR   3  -3.002   6.892  -5.723
   27    HD1  TYR   3           HD1      TYR   3  -4.160   8.176  -7.777
   28    HD2  TYR   3           HD2      TYR   3  -0.999   9.740  -5.381
   29    HE1  TYR   3           HE1      TYR   3  -3.524   9.691  -9.595
   30    HE2  TYR   3           HE2      TYR   3  -0.378  11.249  -7.199
   31    HH   TYR   3           HH       TYR   3  -0.647  11.073  -9.744
   32    H    GLN   4           H        GLN   4  -4.994   5.842  -4.994
   33    HA   GLN   4           HA       GLN   4  -4.921   5.141  -2.112
   34   1HB   GLN   4          1HB       GLN   4  -7.137   4.585  -4.130
   35   2HB   GLN   4          2HB       GLN   4  -6.948   3.581  -2.706
   36   1HG   GLN   4          2HG       GLN   4  -7.280   6.617  -2.602
   37   2HG   GLN   4          1HG       GLN   4  -8.595   5.477  -2.409
   38   1HE2  GLN   4          2HE2      GLN   4  -6.095   3.852  -0.928
   39   2HE2  GLN   4          1HE2      GLN   4  -6.275   4.457   0.644
   40    H    CYS   5           H        CYS   5  -4.279   2.780  -1.802
   41    HA   CYS   5           HA       CYS   5  -2.548   1.929  -3.966
   42   1HB   CYS   5          1HB       CYS   5  -2.043   1.577  -1.586
   43   2HB   CYS   5          2HB       CYS   5  -3.434   0.504  -1.448
   44    H    GLN   6           H        GLN   6  -2.655  -0.181  -4.889
   45    HA   GLN   6           HA       GLN   6  -5.440  -0.925  -5.701
   46   1HB   GLN   6          1HB       GLN   6  -3.852  -0.164  -7.444
   47   2HB   GLN   6          2HB       GLN   6  -2.715  -1.405  -6.998
   48   1HG   GLN   6          2HG       GLN   6  -5.493  -2.244  -7.870
   49   2HG   GLN   6          1HG       GLN   6  -4.352  -1.723  -9.090
   50   1HE2  GLN   6          1HE2      GLN   6  -5.460  -4.476  -7.632
   51   2HE2  GLN   6          2HE2      GLN   6  -4.086  -5.459  -7.806
   52    H    TYR   7           H        TYR   7  -3.190  -1.808  -3.551
   53    HA   TYR   7           HA       TYR   7  -3.835  -4.731  -3.599
   54   1HB   TYR   7          1HB       TYR   7  -1.465  -3.208  -2.442
   55   2HB   TYR   7          2HB       TYR   7  -1.750  -4.917  -2.144
   56    HD1  TYR   7           HD1      TYR   7  -1.458  -2.527  -5.071
   57    HD2  TYR   7           HD2      TYR   7  -0.745  -6.451  -3.571
   58    HE1  TYR   7           HE1      TYR   7  -0.334  -3.125  -7.151
   59    HE2  TYR   7           HE2      TYR   7   0.382  -7.040  -5.652
   60    HH   TYR   7           HH       TYR   7   0.429  -4.859  -8.404
   61    H    CYS   8           H        CYS   8  -3.177  -2.022  -1.433
   62    HA   CYS   8           HA       CYS   8  -5.085  -3.148   0.588
   63   1HB   CYS   8          1HB       CYS   8  -3.699  -2.246   2.311
   64   2HB   CYS   8          2HB       CYS   8  -2.623  -2.995   1.154
   65    H    GLU   9           H        GLU   9  -5.101  -0.859   2.161
   66    HA   GLU   9           HA       GLU   9  -6.573   1.102   0.439
   67   1HB   GLU   9          1HB       GLU   9  -7.963  -0.291   2.054
   68   2HB   GLU   9          2HB       GLU   9  -7.048   0.400   3.388
   69   1HG   GLU   9          2HG       GLU   9  -9.205   1.561   3.093
   70   2HG   GLU   9          1HG       GLU   9  -7.884   2.671   2.802
   71    H1   HAC  10           H1       HAC  10  -1.095   4.323   2.341
   72   1H2   HAC  10          1H2       HAC  10  -0.119   4.301   0.002
   73   2H2   HAC  10          2H2       HAC  10   0.841   2.912   0.444
   74   1H3   HAC  10          1H3       HAC  10   1.283   5.764   1.072
   75   2H3   HAC  10          2H3       HAC  10   2.435   4.456   0.956
   76   1H4   HAC  10          1H4       HAC  10   2.533   5.085   3.234
   77   2H4   HAC  10          2H4       HAC  10   0.801   5.293   3.365
   78   1H5   HAC  10          1H5       HAC  10   2.206   2.621   2.930
   79   2H5   HAC  10          2H5       HAC  10   1.602   3.180   4.476
   80   1H6   HAC  10          1H6       HAC  10   0.142   1.599   2.794
   81   2H6   HAC  10          2H6       HAC  10  -0.586   2.685   3.946
   82   1H7   HAC  10          1H7       HAC  10  -1.611   2.504   0.198
   83   2H7   HAC  10          2H7       HAC  10  -1.765   1.543   1.606
   84    H8   HAC  10           H8       HAC  10  -3.229   3.432   2.594
   85   1HN8  HAC  10          1HN8      HAC  10  -4.024   1.508   0.429
   86    H    ARG  11           H        ARG  11  -2.610   5.609   1.907
   87    HA   ARG  11           HA       ARG  11  -3.535   6.307  -0.850
   88   1HB   ARG  11          1HB       ARG  11  -4.457   8.383   0.048
   89   2HB   ARG  11          2HB       ARG  11  -5.162   7.006   0.866
   90   1HG   ARG  11          2HG       ARG  11  -3.483   7.333   2.744
   91   2HG   ARG  11          1HG       ARG  11  -2.947   8.800   1.948
   92   1HD   ARG  11          2HD       ARG  11  -5.730   8.224   3.044
   93   2HD   ARG  11          1HD       ARG  11  -4.582   9.423   3.630
   94    HE   ARG  11           HE       ARG  11  -5.933   9.575   0.956
   95   1HH1  ARG  11          1HH2      ARG  11  -5.841  11.018   3.948
   96   2HH1  ARG  11          2HH2      ARG  11  -5.584  12.632   3.372
   97   1HH2  ARG  11          2HH1      ARG  11  -5.021  11.596   0.076
   98   2HH2  ARG  11          1HH1      ARG  11  -5.078  12.959   1.140
   99    H    SER  12           H        SER  12  -2.631   8.138  -1.806
  100    HA   SER  12           HA       SER  12  -0.081   9.205  -0.725
  101   1HB   SER  12          2HB       SER  12  -0.261   7.814  -3.457
  102   2HB   SER  12          1HB       SER  12   1.161   8.614  -2.828
  103    HG   SER  12           HG       SER  12   1.550   6.937  -1.674
  104    H    ALA  13           H        ALA  13   0.771  10.924  -2.387
  105    HA   ALA  13           HA       ALA  13  -1.443  12.224  -3.896
  106   1HB   ALA  13          1HB       ALA  13  -0.993  14.391  -2.753
  107   2HB   ALA  13          2HB       ALA  13   0.203  13.609  -1.725
  108   3HB   ALA  13          3HB       ALA  13  -1.498  13.174  -1.592
  109    H    ASP  14           H        ASP  14   1.034  10.802  -4.518
  110    HA   ASP  14           HA       ASP  14   2.384  12.941  -6.125
  111   1HB   ASP  14          1HB       ASP  14   3.885  12.458  -4.336
  112   2HB   ASP  14          2HB       ASP  14   3.608  10.726  -4.452
  113    H    SER  15           H        SER  15   2.400   9.482  -5.814
  114    HA   SER  15           HA       SER  15   1.305   7.994  -7.473
  115   1HB   SER  15          2HB       SER  15   2.936   9.711  -9.481
  116   2HB   SER  15          1HB       SER  15   2.201   8.161  -9.900
  117    HG   SER  15           HG       SER  15   1.032  10.513  -9.815
  118    H    SER  16           H        SER  16   4.639   9.159  -8.061
  119    HA   SER  16           HA       SER  16   5.895   6.677  -8.477
  120   1HB   SER  16          2HB       SER  16   7.142   8.954  -6.817
  121   2HB   SER  16          1HB       SER  16   7.996   7.753  -7.782
  122    HG   SER  16           HG       SER  16   6.788  10.026  -8.562
  123    H    ASN  17           H        ASN  17   5.523   8.459  -5.537
  124    HA   ASN  17           HA       ASN  17   6.428   6.814  -3.552
  125   1HB   ASN  17          1HB       ASN  17   5.618   9.046  -3.094
  126   2HB   ASN  17          2HB       ASN  17   3.995   8.626  -3.611
  127   1HD2  ASN  17          2HD2      ASN  17   6.194   8.599  -0.922
  128   2HD2  ASN  17          1HD2      ASN  17   5.133   7.886   0.196
  129    H    LEU  18           H        LEU  18   3.074   6.645  -4.855
  130    HA   LEU  18           HA       LEU  18   2.317   4.466  -3.184
  131   1HB   LEU  18          1HB       LEU  18   0.745   5.984  -4.562
  132   2HB   LEU  18          2HB       LEU  18   1.265   5.100  -5.993
  133    HG   LEU  18           HG       LEU  18   0.350   2.954  -4.902
  134   1HD1  LEU  18          1HD1      LEU  18  -0.787   4.956  -2.898
  135   2HD1  LEU  18          2HD1      LEU  18   0.450   3.770  -2.516
  136   3HD1  LEU  18          3HD1      LEU  18  -1.157   3.244  -2.959
  137   1HD2  LEU  18          1HD2      LEU  18  -1.974   3.526  -5.364
  138   2HD2  LEU  18          2HD2      LEU  18  -0.957   4.299  -6.557
  139   3HD2  LEU  18          3HD2      LEU  18  -1.622   5.245  -5.233
  140    H    LYS  19           H        LYS  19   3.621   4.515  -6.451
  141    HA   LYS  19           HA       LYS  19   3.519   1.679  -6.846
  142   1HB   LYS  19          1HB       LYS  19   4.032   3.382  -8.654
  143   2HB   LYS  19          2HB       LYS  19   5.590   3.719  -7.920
  144   1HG   LYS  19          2HG       LYS  19   6.182   1.258  -8.259
  145   2HG   LYS  19          1HG       LYS  19   4.687   1.082  -9.151
  146   1HD   LYS  19          2HD       LYS  19   6.964   2.980  -9.899
  147   2HD   LYS  19          1HD       LYS  19   6.674   1.423 -10.638
  148   1HE   LYS  19          2HE       LYS  19   5.738   3.033 -12.147
  149   2HE   LYS  19          1HE       LYS  19   4.355   2.321 -11.336
  150   1HZ   LYS  19          1HZ       LYS  19   3.778   4.310 -10.631
  151   2HZ   LYS  19          2HZ       LYS  19   5.100   4.994 -11.446
  152   3HZ   LYS  19          3HZ       LYS  19   5.261   4.508  -9.832
  153    H    THR  20           H        THR  20   6.118   3.708  -5.616
  154    HA   THR  20           HA       THR  20   8.070   1.821  -4.981
  155    HB   THR  20           HB       THR  20   7.289   4.236  -3.206
  156    HG1  THR  20           HG1      THR  20   8.240   3.965  -5.729
  157   1HG2  THR  20          1HG2      THR  20   9.087   2.635  -2.258
  158   2HG2  THR  20          2HG2      THR  20   9.706   4.227  -2.638
  159   3HG2  THR  20          3HG2      THR  20  10.003   2.889  -3.733
  160    H    HIS  21           H        HIS  21   5.418   2.966  -2.915
  161    HA   HIS  21           HA       HIS  21   5.678   1.307  -0.722
  162   1HB   HIS  21          1HB       HIS  21   4.015   2.979  -0.592
  163   2HB   HIS  21          2HB       HIS  21   3.298   2.583  -2.134
  164    HD1  HIS  21           HD1      HIS  21   3.344   1.286   1.381
  165    HD2  HIS  21           HD2      HIS  21   1.241   0.784  -2.081
  166    HE1  HIS  21           HE1      HIS  21   1.379  -0.097   1.949
  167    H    ILE  22           H        ILE  22   3.550   0.566  -3.544
  168    HA   ILE  22           HA       ILE  22   2.930  -2.082  -2.882
  169    HB   ILE  22           HB       ILE  22   3.434  -0.814  -5.627
  170   1HG1  ILE  22          2HG1      ILE  22   0.821  -1.438  -4.159
  171   2HG1  ILE  22          1HG1      ILE  22   1.610   0.118  -4.051
  172   1HG2  ILE  22          1HG2      ILE  22   3.551  -3.321  -5.798
  173   2HG2  ILE  22          2HG2      ILE  22   2.105  -2.708  -6.562
  174   3HG2  ILE  22          3HG2      ILE  22   2.013  -3.439  -4.966
  175   1HD1  ILE  22          1HD1      ILE  22   1.392   0.427  -6.489
  176   2HD1  ILE  22          2HD1      ILE  22  -0.171   0.169  -5.734
  177   3HD1  ILE  22          3HD1      ILE  22   0.594  -1.134  -6.626
  178    H    LYS  23           H        LYS  23   5.533  -1.181  -5.062
  179    HA   LYS  23           HA       LYS  23   6.820  -3.522  -5.538
  180   1HB   LYS  23          1HB       LYS  23   8.079  -0.807  -4.963
  181   2HB   LYS  23          2HB       LYS  23   8.987  -2.145  -5.626
  182   1HG   LYS  23          2HG       LYS  23   6.502  -0.955  -6.941
  183   2HG   LYS  23          1HG       LYS  23   8.149  -0.545  -7.377
  184   1HD   LYS  23          2HD       LYS  23   8.603  -2.912  -7.979
  185   2HD   LYS  23          1HD       LYS  23   6.968  -3.364  -7.541
  186   1HE   LYS  23          2HE       LYS  23   6.069  -1.829  -9.282
  187   2HE   LYS  23          1HE       LYS  23   7.720  -1.439  -9.757
  188   1HZ   LYS  23          1HZ       LYS  23   7.484  -4.217  -9.639
  189   2HZ   LYS  23          2HZ       LYS  23   7.743  -3.234 -10.998
  190   3HZ   LYS  23          3HZ       LYS  23   6.159  -3.623 -10.520
  191    H    THR  24           H        THR  24   7.410  -1.637  -2.605
  192    HA   THR  24           HA       THR  24   8.863  -4.020  -1.518
  193    HB   THR  24           HB       THR  24  10.092  -2.325  -0.081
  194    HG1  THR  24           HG1      THR  24   8.480  -0.690  -1.700
  195   1HG2  THR  24          1HG2      THR  24  11.591  -1.617  -1.945
  196   2HG2  THR  24          2HG2      THR  24  10.349  -1.978  -3.130
  197   3HG2  THR  24          3HG2      THR  24  11.098  -3.280  -2.220
  198    H    LYS  25           H        LYS  25   5.931  -3.077  -1.062
  199    HA   LYS  25           HA       LYS  25   6.003  -3.436   1.926
  200   1HB   LYS  25          1HB       LYS  25   3.950  -1.734   0.402
  201   2HB   LYS  25          2HB       LYS  25   3.992  -2.002   2.132
  202   1HG   LYS  25          2HG       LYS  25   6.193  -0.584   0.555
  203   2HG   LYS  25          1HG       LYS  25   4.986   0.201   1.533
  204   1HD   LYS  25          2HD       LYS  25   7.118  -1.730   2.567
  205   2HD   LYS  25          1HD       LYS  25   7.194   0.006   2.668
  206   1HE   LYS  25          2HE       LYS  25   5.106  -1.746   4.027
  207   2HE   LYS  25          1HE       LYS  25   6.461  -0.943   4.803
  208   1HZ   LYS  25          1HZ       LYS  25   5.060   0.969   3.340
  209   2HZ   LYS  25          2HZ       LYS  25   5.244   0.847   5.024
  210   3HZ   LYS  25          3HZ       LYS  25   3.935   0.087   4.255
  211    H    HIS  26           H        HIS  26   4.543  -4.243  -1.105
  212    HA   HIS  26           HA       HIS  26   2.729  -6.222   0.194
  213   1HB   HIS  26          1HB       HIS  26   2.705  -4.801  -2.510
  214   2HB   HIS  26          2HB       HIS  26   1.693  -6.192  -2.236
  215    HD1  HIS  26           HD1      HIS  26   0.520  -5.789   0.398
  216    HD2  HIS  26           HD2      HIS  26   1.197  -2.556  -1.995
  217    HE1  HIS  26           HE1      HIS  26  -0.955  -4.000   1.230
  218    H    SER  27           H        SER  27   5.053  -5.621  -2.279
  219    HA   SER  27           HA       SER  27   5.963  -8.463  -2.287
  220   1HB   SER  27          2HB       SER  27   6.290  -8.212  -4.762
  221   2HB   SER  27          1HB       SER  27   4.664  -7.614  -4.449
  222    HG   SER  27           HG       SER  27   6.791  -6.260  -5.347
  223    H    LYS  28           H        LYS  28   9.198  -7.037  -2.341
  224    HA   LYS  28           HA       LYS  28   7.556  -9.328  -3.288
  225   1HB   LYS  28          1HB       LYS  28   8.416  -7.690  -5.161
  226   2HB   LYS  28          2HB       LYS  28  10.016  -8.321  -4.813
  227   1HG   LYS  28          2HG       LYS  28   9.351 -10.591  -5.301
  228   2HG   LYS  28          1HG       LYS  28   7.660 -10.162  -5.431
  229   1HD   LYS  28          2HD       LYS  28   9.912  -9.384  -7.331
  230   2HD   LYS  28          1HD       LYS  28   8.583 -10.476  -7.666
  231   1HE   LYS  28          2HE       LYS  28   8.401  -7.446  -7.260
  232   2HE   LYS  28          1HE       LYS  28   8.063  -8.353  -8.715
  233   1HZ   LYS  28          1HZ       LYS  28   6.461  -9.417  -6.721
  234   2HZ   LYS  28          2HZ       LYS  28   5.981  -8.505  -8.073
  235   3HZ   LYS  28          3HZ       LYS  28   6.343  -7.735  -6.595
  236    H    GLU  29           H        GLU  29   8.181  -9.786  -1.060
  237    HA   GLU  29           HA       GLU  29  11.005 -10.606  -0.671
  238   1HB   GLU  29          1HB       GLU  29   8.647 -10.108   1.165
  239   2HB   GLU  29          2HB       GLU  29   9.939 -11.125   1.755
  240   1HG   GLU  29          2HG       GLU  29  10.344  -8.312   0.621
  241   2HG   GLU  29          1HG       GLU  29  10.210  -8.664   2.334
  242    H    LYS  30           H        LYS  30  11.478 -12.594   0.275
  243    HA   LYS  30           HA       LYS  30   9.604 -14.830  -0.394
  244   1HB   LYS  30          1HB       LYS  30  12.598 -14.748  -1.039
  245   2HB   LYS  30          2HB       LYS  30  11.497 -16.073  -1.394
  246   1HG   LYS  30          2HG       LYS  30  10.132 -14.517  -2.835
  247   2HG   LYS  30          1HG       LYS  30  11.305 -13.245  -2.534
  248   1HD   LYS  30          2HD       LYS  30  13.089 -14.621  -3.568
  249   2HD   LYS  30          1HD       LYS  30  11.919 -15.885  -3.900
  250   1HE   LYS  30          2HE       LYS  30  11.804 -13.024  -4.988
  251   2HE   LYS  30          1HE       LYS  30  12.245 -14.456  -5.904
  252   1HZ   LYS  30          1HZ       LYS  30  10.138 -14.796  -6.335
  253   2HZ   LYS  30          2HZ       LYS  30   9.704 -13.421  -5.442
  254   3HZ   LYS  30          3HZ       LYS  30   9.777 -14.935  -4.681
  Start of MODEL   27
    1   1H    LYS   1          1H        LYS   1  -5.244  16.891  -3.492
    2   2H    LYS   1          2H        LYS   1  -6.855  17.280  -3.117
    3   3H    LYS   1          3H        LYS   1  -6.307  17.378  -4.723
    4    HA   LYS   1           HA       LYS   1  -7.444  15.199  -3.385
    5   1HB   LYS   1          2HB       LYS   1  -6.208  15.467  -6.163
    6   2HB   LYS   1          1HB       LYS   1  -7.260  14.154  -5.687
    7   1HG   LYS   1          2HG       LYS   1  -8.021  17.106  -5.875
    8   2HG   LYS   1          1HG       LYS   1  -8.477  15.851  -7.002
    9   1HD   LYS   1          2HD       LYS   1  -9.661  14.684  -5.051
   10   2HD   LYS   1          1HD       LYS   1  -9.368  16.130  -4.102
   11   1HE   LYS   1          2HE       LYS   1 -10.993  15.998  -6.691
   12   2HE   LYS   1          1HE       LYS   1 -11.635  16.230  -5.078
   13   1HZ   LYS   1          1HZ       LYS   1 -11.363  18.377  -5.309
   14   2HZ   LYS   1          2HZ       LYS   1 -10.726  18.151  -6.865
   15   3HZ   LYS   1          3HZ       LYS   1  -9.688  18.190  -5.524
   16    H    THR   2           H        THR   2  -6.750  12.994  -3.586
   17    HA   THR   2           HA       THR   2  -3.808  12.520  -3.442
   18    HB   THR   2           HB       THR   2  -4.260  10.950  -1.445
   19    HG1  THR   2           HG1      THR   2  -6.273  10.593  -1.082
   20   1HG2  THR   2          1HG2      THR   2  -3.575  13.365  -0.971
   21   2HG2  THR   2          2HG2      THR   2  -4.643  12.702   0.251
   22   3HG2  THR   2          3HG2      THR   2  -5.275  13.801  -0.963
   23    H    TYR   3           H        TYR   3  -3.507  10.063  -3.236
   24    HA   TYR   3           HA       TYR   3  -5.213   8.619  -5.232
   25   1HB   TYR   3          1HB       TYR   3  -2.197   8.384  -4.778
   26   2HB   TYR   3          2HB       TYR   3  -3.126   7.383  -5.885
   27    HD1  TYR   3           HD1      TYR   3  -2.396  11.011  -5.176
   28    HD2  TYR   3           HD2      TYR   3  -3.325   8.057  -8.097
   29    HE1  TYR   3           HE1      TYR   3  -2.115  12.669  -6.950
   30    HE2  TYR   3           HE2      TYR   3  -3.041   9.717  -9.869
   31    HH   TYR   3           HH       TYR   3  -2.565  11.827 -10.367
   32    H    GLN   4           H        GLN   4  -5.168   6.269  -4.937
   33    HA   GLN   4           HA       GLN   4  -4.698   5.449  -2.106
   34   1HB   GLN   4          1HB       GLN   4  -7.156   5.893  -2.926
   35   2HB   GLN   4          2HB       GLN   4  -6.969   4.407  -3.817
   36   1HG   GLN   4          2HG       GLN   4  -8.063   3.877  -1.721
   37   2HG   GLN   4          1HG       GLN   4  -6.437   3.218  -1.640
   38   1HE2  GLN   4          1HE2      GLN   4  -6.070   3.385   0.605
   39   2HE2  GLN   4          2HE2      GLN   4  -6.098   4.848   1.464
   40    H    CYS   5           H        CYS   5  -4.424   2.876  -1.962
   41    HA   CYS   5           HA       CYS   5  -2.762   2.070  -4.274
   42   1HB   CYS   5          1HB       CYS   5  -1.932   1.635  -2.003
   43   2HB   CYS   5          2HB       CYS   5  -3.374   0.694  -1.642
   44    H    GLN   6           H        GLN   6  -3.013  -0.038  -5.222
   45    HA   GLN   6           HA       GLN   6  -5.905  -0.816  -5.515
   46   1HB   GLN   6          1HB       GLN   6  -4.633   0.204  -7.493
   47   2HB   GLN   6          2HB       GLN   6  -3.646  -1.244  -7.513
   48   1HG   GLN   6          2HG       GLN   6  -5.703  -2.633  -7.934
   49   2HG   GLN   6          1HG       GLN   6  -6.681  -1.170  -7.860
   50   1HE2  GLN   6          1HE2      GLN   6  -4.959  -3.190  -9.970
   51   2HE2  GLN   6          2HE2      GLN   6  -4.854  -2.127 -11.291
   52    H    TYR   7           H        TYR   7  -3.888  -1.674  -3.575
   53    HA   TYR   7           HA       TYR   7  -4.102  -4.626  -3.917
   54   1HB   TYR   7          1HB       TYR   7  -1.665  -3.029  -2.983
   55   2HB   TYR   7          2HB       TYR   7  -1.818  -4.760  -2.739
   56    HD1  TYR   7           HD1      TYR   7  -1.725  -2.119  -5.408
   57    HD2  TYR   7           HD2      TYR   7  -1.310  -6.262  -4.501
   58    HE1  TYR   7           HE1      TYR   7  -0.894  -2.541  -7.672
   59    HE2  TYR   7           HE2      TYR   7  -0.477  -6.676  -6.764
   60    HH   TYR   7           HH       TYR   7  -0.137  -5.802  -8.804
   61    H    CYS   8           H        CYS   8  -3.406  -1.943  -1.775
   62    HA   CYS   8           HA       CYS   8  -5.040  -3.186   0.412
   63   1HB   CYS   8          1HB       CYS   8  -3.492  -2.293   2.026
   64   2HB   CYS   8          2HB       CYS   8  -2.523  -3.022   0.788
   65    H    GLU   9           H        GLU   9  -4.922  -0.948   2.051
   66    HA   GLU   9           HA       GLU   9  -6.519   1.050   0.523
   67   1HB   GLU   9          1HB       GLU   9  -7.731  -0.429   2.262
   68   2HB   GLU   9          2HB       GLU   9  -6.734   0.337   3.496
   69   1HG   GLU   9          2HG       GLU   9  -8.885   1.450   3.476
   70   2HG   GLU   9          1HG       GLU   9  -7.713   2.568   2.814
   71    H1   HAC  10           H1       HAC  10  -0.890   4.314   1.967
   72   1H2   HAC  10          1H2       HAC  10   0.093   4.165  -0.349
   73   2H2   HAC  10          2H2       HAC  10   0.941   2.726   0.144
   74   1H3   HAC  10          1H3       HAC  10   1.271   5.499   1.371
   75   2H3   HAC  10          2H3       HAC  10   2.418   4.701   0.310
   76   1H4   HAC  10          1H4       HAC  10   2.821   2.951   1.981
   77   2H4   HAC  10          2H4       HAC  10   3.046   4.514   2.742
   78   1H5   HAC  10          1H5       HAC  10   1.715   2.981   4.188
   79   2H5   HAC  10          2H5       HAC  10   0.795   4.411   3.749
   80   1H6   HAC  10          1H6       HAC  10   0.587   1.689   2.404
   81   2H6   HAC  10          2H6       HAC  10  -0.607   2.375   3.495
   82   1H7   HAC  10          1H7       HAC  10  -1.635   2.643  -0.133
   83   2H7   HAC  10          2H7       HAC  10  -1.632   1.515   1.164
   84    H8   HAC  10           H8       HAC  10  -2.981   3.286   2.481
   85   1HN8  HAC  10          1HN8      HAC  10  -4.010   1.518   0.287
   86    H    ARG  11           H        ARG  11  -2.411   5.423   2.045
   87    HA   ARG  11           HA       ARG  11  -3.568   6.632  -0.428
   88   1HB   ARG  11          1HB       ARG  11  -4.708   7.136   1.784
   89   2HB   ARG  11          2HB       ARG  11  -3.242   7.955   2.289
   90   1HG   ARG  11          2HG       ARG  11  -3.471   9.507   0.304
   91   2HG   ARG  11          1HG       ARG  11  -4.975   8.704  -0.114
   92   1HD   ARG  11          2HD       ARG  11  -4.419  10.221   2.473
   93   2HD   ARG  11          1HD       ARG  11  -5.480  10.735   1.171
   94    HE   ARG  11           HE       ARG  11  -6.899   8.716   1.694
   95   1HH1  ARG  11          2HH2      ARG  11  -4.379   8.532   3.816
   96   2HH1  ARG  11          1HH2      ARG  11  -5.328   8.524   5.266
   97   1HH2  ARG  11          1HH1      ARG  11  -8.286   9.328   3.579
   98   2HH2  ARG  11          2HH1      ARG  11  -7.587   8.995   5.128
   99    H    SER  12           H        SER  12  -2.418   8.071  -1.483
  100    HA   SER  12           HA       SER  12   0.326   8.866  -0.614
  101   1HB   SER  12          2HB       SER  12  -0.408   7.681  -3.351
  102   2HB   SER  12          1HB       SER  12   1.139   8.414  -2.982
  103    HG   SER  12           HG       SER  12   0.355   5.944  -2.394
  104    H    ALA  13           H        ALA  13   1.107  10.668  -2.086
  105    HA   ALA  13           HA       ALA  13  -1.197  12.418  -2.878
  106   1HB   ALA  13          1HB       ALA  13  -0.113  13.190  -0.801
  107   2HB   ALA  13          2HB       ALA  13   0.218  14.324  -2.102
  108   3HB   ALA  13          3HB       ALA  13   1.454  13.183  -1.598
  109    H    ASP  14           H        ASP  14   1.094  10.610  -4.281
  110    HA   ASP  14           HA       ASP  14   1.429  12.588  -6.496
  111   1HB   ASP  14          1HB       ASP  14   3.502  12.507  -5.131
  112   2HB   ASP  14          2HB       ASP  14   3.632  10.783  -5.442
  113    H    SER  15           H        SER  15   2.319   9.247  -5.927
  114    HA   SER  15           HA       SER  15   0.940   7.455  -7.156
  115   1HB   SER  15          2HB       SER  15   0.359   8.835  -9.211
  116   2HB   SER  15          1HB       SER  15   2.089   8.991  -9.590
  117    HG   SER  15           HG       SER  15   1.953   7.082 -10.421
  118    H    SER  16           H        SER  16   3.996   9.047  -8.098
  119    HA   SER  16           HA       SER  16   5.565   6.800  -8.708
  120   1HB   SER  16          2HB       SER  16   6.478   9.322  -7.201
  121   2HB   SER  16          1HB       SER  16   7.518   8.228  -8.126
  122    HG   SER  16           HG       SER  16   5.420   8.893  -9.632
  123    H    ASN  17           H        ASN  17   4.887   8.367  -5.678
  124    HA   ASN  17           HA       ASN  17   6.399   6.696  -3.941
  125   1HB   ASN  17          1HB       ASN  17   3.857   8.315  -3.403
  126   2HB   ASN  17          2HB       ASN  17   4.890   7.645  -2.146
  127   1HD2  ASN  17          2HD2      ASN  17   4.302  10.501  -3.698
  128   2HD2  ASN  17          1HD2      ASN  17   5.842  11.208  -3.592
  129    H    LEU  18           H        LEU  18   3.063   6.424  -5.137
  130    HA   LEU  18           HA       LEU  18   2.290   4.230  -3.503
  131   1HB   LEU  18          1HB       LEU  18   0.797   5.732  -5.055
  132   2HB   LEU  18          2HB       LEU  18   1.349   4.713  -6.381
  133    HG   LEU  18           HG       LEU  18   0.366   2.686  -5.164
  134   1HD1  LEU  18          1HD1      LEU  18   0.361   3.694  -2.854
  135   2HD1  LEU  18          2HD1      LEU  18  -1.230   3.172  -3.338
  136   3HD1  LEU  18          3HD1      LEU  18  -0.828   4.871  -3.398
  137   1HD2  LEU  18          1HD2      LEU  18  -1.551   4.964  -5.805
  138   2HD2  LEU  18          2HD2      LEU  18  -1.934   3.252  -5.803
  139   3HD2  LEU  18          3HD2      LEU  18  -0.828   3.891  -6.995
  140    H    LYS  19           H        LYS  19   3.788   4.288  -6.665
  141    HA   LYS  19           HA       LYS  19   3.813   1.419  -7.020
  142   1HB   LYS  19          1HB       LYS  19   5.862   3.476  -8.037
  143   2HB   LYS  19          2HB       LYS  19   5.675   1.856  -8.692
  144   1HG   LYS  19          2HG       LYS  19   3.351   2.452  -9.399
  145   2HG   LYS  19          1HG       LYS  19   3.566   4.072  -8.762
  146   1HD   LYS  19          2HD       LYS  19   5.833   3.705 -10.416
  147   2HD   LYS  19          1HD       LYS  19   4.564   2.867 -11.274
  148   1HE   LYS  19          2HE       LYS  19   4.351   5.736 -10.312
  149   2HE   LYS  19          1HE       LYS  19   4.734   5.263 -11.959
  150   1HZ   LYS  19          1HZ       LYS  19   2.240   5.583 -10.798
  151   2HZ   LYS  19          2HZ       LYS  19   2.403   3.925 -11.138
  152   3HZ   LYS  19          3HZ       LYS  19   2.601   5.072 -12.374
  153    H    THR  20           H        THR  20   6.285   3.629  -5.780
  154    HA   THR  20           HA       THR  20   8.252   1.784  -5.033
  155    HB   THR  20           HB       THR  20   7.371   4.342  -3.529
  156    HG1  THR  20           HG1      THR  20   7.801   4.746  -5.634
  157   1HG2  THR  20          1HG2      THR  20   9.760   4.433  -2.862
  158   2HG2  THR  20          2HG2      THR  20  10.117   2.975  -3.776
  159   3HG2  THR  20          3HG2      THR  20   9.139   2.882  -2.321
  160    H    HIS  21           H        HIS  21   5.470   2.942  -3.136
  161    HA   HIS  21           HA       HIS  21   5.672   1.450  -0.828
  162   1HB   HIS  21          1HB       HIS  21   3.867   2.953  -0.836
  163   2HB   HIS  21          2HB       HIS  21   3.355   2.552  -2.455
  164    HD1  HIS  21           HD1      HIS  21   3.111   1.154   1.015
  165    HD2  HIS  21           HD2      HIS  21   1.307   0.703  -2.621
  166    HE1  HIS  21           HE1      HIS  21   1.148  -0.290   1.382
  167    H    ILE  22           H        ILE  22   3.740   0.442  -3.687
  168    HA   ILE  22           HA       ILE  22   3.199  -2.153  -2.996
  169    HB   ILE  22           HB       ILE  22   3.990  -1.080  -5.758
  170   1HG1  ILE  22          2HG1      ILE  22   1.275  -1.617  -4.444
  171   2HG1  ILE  22          1HG1      ILE  22   2.015  -0.040  -4.507
  172   1HG2  ILE  22          1HG2      ILE  22   4.135  -3.613  -5.685
  173   2HG2  ILE  22          2HG2      ILE  22   2.818  -3.063  -6.694
  174   3HG2  ILE  22          3HG2      ILE  22   2.492  -3.669  -5.077
  175   1HD1  ILE  22          1HD1      ILE  22   0.352  -0.271  -6.287
  176   2HD1  ILE  22          2HD1      ILE  22   1.185  -1.673  -6.934
  177   3HD1  ILE  22          3HD1      ILE  22   1.947  -0.089  -6.992
  178    H    LYS  23           H        LYS  23   6.078  -1.270  -4.846
  179    HA   LYS  23           HA       LYS  23   7.461  -3.633  -5.008
  180   1HB   LYS  23          1HB       LYS  23   8.159  -1.312  -5.851
  181   2HB   LYS  23          2HB       LYS  23   8.843  -1.045  -4.260
  182   1HG   LYS  23          2HG       LYS  23  10.262  -3.123  -4.574
  183   2HG   LYS  23          1HG       LYS  23   9.601  -3.297  -6.184
  184   1HD   LYS  23          2HD       LYS  23  11.721  -2.168  -6.458
  185   2HD   LYS  23          1HD       LYS  23  10.480  -0.961  -6.716
  186   1HE   LYS  23          2HE       LYS  23  12.277  -0.086  -5.244
  187   2HE   LYS  23          1HE       LYS  23  10.766  -0.157  -4.356
  188   1HZ   LYS  23          1HZ       LYS  23  11.681  -1.537  -2.925
  189   2HZ   LYS  23          2HZ       LYS  23  13.175  -1.368  -3.723
  190   3HZ   LYS  23          3HZ       LYS  23  12.110  -2.620  -4.143
  191    H    THR  24           H        THR  24   7.724  -1.429  -2.242
  192    HA   THR  24           HA       THR  24   8.950  -3.641  -0.625
  193    HB   THR  24           HB       THR  24   9.199  -0.618  -0.121
  194    HG1  THR  24           HG1      THR  24  10.301  -2.326  -1.939
  195   1HG2  THR  24          1HG2      THR  24   9.868  -2.201   1.814
  196   2HG2  THR  24          2HG2      THR  24  11.217  -1.306   1.138
  197   3HG2  THR  24          3HG2      THR  24  10.976  -2.986   0.705
  198    H    LYS  25           H        LYS  25   6.045  -3.397  -0.862
  199    HA   LYS  25           HA       LYS  25   5.400  -3.226   2.025
  200   1HB   LYS  25          1HB       LYS  25   3.840  -1.678  -0.119
  201   2HB   LYS  25          2HB       LYS  25   3.321  -1.888   1.540
  202   1HG   LYS  25          2HG       LYS  25   6.047  -0.657   1.048
  203   2HG   LYS  25          1HG       LYS  25   4.646   0.324   0.902
  204   1HD   LYS  25          2HD       LYS  25   3.939  -0.220   3.189
  205   2HD   LYS  25          1HD       LYS  25   5.262  -1.350   3.370
  206   1HE   LYS  25          2HE       LYS  25   5.641   1.630   2.868
  207   2HE   LYS  25          1HE       LYS  25   5.710   0.866   4.445
  208   1HZ   LYS  25          1HZ       LYS  25   7.379  -0.563   2.717
  209   2HZ   LYS  25          2HZ       LYS  25   7.795   0.358   4.080
  210   3HZ   LYS  25          3HZ       LYS  25   7.738   1.088   2.549
  211    H    HIS  26           H        HIS  26   4.581  -4.214  -1.195
  212    HA   HIS  26           HA       HIS  26   2.670  -6.259  -0.195
  213   1HB   HIS  26          1HB       HIS  26   2.895  -4.801  -2.865
  214   2HB   HIS  26          2HB       HIS  26   1.946  -6.262  -2.706
  215    HD1  HIS  26           HD1      HIS  26   0.241  -6.045  -0.514
  216    HD2  HIS  26           HD2      HIS  26   1.390  -2.552  -2.285
  217    HE1  HIS  26           HE1      HIS  26  -1.387  -4.351   0.199
  218    H    SER  27           H        SER  27   5.357  -5.605  -2.243
  219    HA   SER  27           HA       SER  27   5.898  -8.543  -2.529
  220   1HB   SER  27          2HB       SER  27   7.151  -7.849  -4.631
  221   2HB   SER  27          1HB       SER  27   5.431  -7.428  -4.674
  222    HG   SER  27           HG       SER  27   6.802  -5.517  -3.390
  223    H    LYS  28           H        LYS  28   6.650  -7.721  -0.274
  224    HA   LYS  28           HA       LYS  28   8.640  -8.377   0.983
  225   1HB   LYS  28          1HB       LYS  28  10.168  -8.204  -1.096
  226   2HB   LYS  28          2HB       LYS  28  10.181  -6.463  -0.855
  227   1HG   LYS  28          2HG       LYS  28  11.225  -6.756   1.369
  228   2HG   LYS  28          1HG       LYS  28  11.122  -8.504   1.184
  229   1HD   LYS  28          2HD       LYS  28  12.636  -8.378  -0.801
  230   2HD   LYS  28          1HD       LYS  28  12.678  -6.630  -0.649
  231   1HE   LYS  28          2HE       LYS  28  14.707  -7.681   0.350
  232   2HE   LYS  28          1HE       LYS  28  13.779  -6.806   1.553
  233   1HZ   LYS  28          1HZ       LYS  28  14.525  -9.488   1.552
  234   2HZ   LYS  28          2HZ       LYS  28  12.833  -9.441   1.442
  235   3HZ   LYS  28          3HZ       LYS  28  13.621  -8.649   2.719
  236    H    GLU  29           H        GLU  29   9.647  -7.046   2.653
  237    HA   GLU  29           HA       GLU  29   8.573  -4.261   2.806
  238   1HB   GLU  29          1HB       GLU  29   7.221  -5.866   4.230
  239   2HB   GLU  29          2HB       GLU  29   8.681  -6.299   5.090
  240   1HG   GLU  29          2HG       GLU  29   7.406  -4.571   6.349
  241   2HG   GLU  29          1HG       GLU  29   8.961  -3.939   5.851
  242    H    LYS  30           H        LYS  30  10.590  -6.392   4.674
  243    HA   LYS  30           HA       LYS  30  12.395  -5.345   6.091
  244   1HB   LYS  30          1HB       LYS  30  13.050  -6.971   3.644
  245   2HB   LYS  30          2HB       LYS  30  14.320  -6.507   4.745
  246   1HG   LYS  30          2HG       LYS  30  13.519  -8.743   5.344
  247   2HG   LYS  30          1HG       LYS  30  13.152  -7.615   6.624
  248   1HD   LYS  30          2HD       LYS  30  11.284  -9.164   6.239
  249   2HD   LYS  30          1HD       LYS  30  10.777  -7.528   5.948
  250   1HE   LYS  30          2HE       LYS  30   9.909  -9.002   4.160
  251   2HE   LYS  30          1HE       LYS  30  11.134  -7.975   3.442
  252   1HZ   LYS  30          1HZ       LYS  30  11.063 -10.756   3.564
  253   2HZ   LYS  30          2HZ       LYS  30  12.399 -10.234   4.472
  254   3HZ   LYS  30          3HZ       LYS  30  12.233  -9.761   2.849
  Start of MODEL   28
    1   1H    LYS   1          1H        LYS   1  -5.805  13.924  -6.976
    2   2H    LYS   1          2H        LYS   1  -6.248  15.525  -7.311
    3   3H    LYS   1          3H        LYS   1  -7.437  14.314  -7.213
    4    HA   LYS   1           HA       LYS   1  -6.431  15.953  -5.176
    5   1HB   LYS   1          2HB       LYS   1  -8.427  13.635  -5.258
    6   2HB   LYS   1          1HB       LYS   1  -8.236  14.691  -3.869
    7   1HG   LYS   1          2HG       LYS   1  -8.863  16.647  -5.154
    8   2HG   LYS   1          1HG       LYS   1  -8.844  15.755  -6.662
    9   1HD   LYS   1          2HD       LYS   1 -10.751  15.102  -4.373
   10   2HD   LYS   1          1HD       LYS   1 -11.152  16.212  -5.671
   11   1HE   LYS   1          2HE       LYS   1 -10.801  14.383  -7.341
   12   2HE   LYS   1          1HE       LYS   1 -10.395  13.272  -6.042
   13   1HZ   LYS   1          1HZ       LYS   1 -12.820  14.495  -5.409
   14   2HZ   LYS   1          2HZ       LYS   1 -12.514  12.865  -5.774
   15   3HZ   LYS   1          3HZ       LYS   1 -12.915  13.953  -7.013
   16    H    THR   2           H        THR   2  -6.844  12.435  -4.920
   17    HA   THR   2           HA       THR   2  -4.147  12.199  -3.663
   18    HB   THR   2           HB       THR   2  -6.728  10.986  -2.463
   19    HG1  THR   2           HG1      THR   2  -5.522  13.419  -2.317
   20   1HG2  THR   2          1HG2      THR   2  -4.554   9.765  -1.794
   21   2HG2  THR   2          2HG2      THR   2  -5.318  10.593  -0.465
   22   3HG2  THR   2          3HG2      THR   2  -3.926  11.313  -1.246
   23    H    TYR   3           H        TYR   3  -3.614   9.890  -3.350
   24    HA   TYR   3           HA       TYR   3  -4.452   8.193  -5.671
   25   1HB   TYR   3          1HB       TYR   3  -1.745   8.495  -4.323
   26   2HB   TYR   3          2HB       TYR   3  -2.101   7.197  -5.454
   27    HD1  TYR   3           HD1      TYR   3  -2.466  10.973  -5.385
   28    HD2  TYR   3           HD2      TYR   3  -1.244   7.517  -7.564
   29    HE1  TYR   3           HE1      TYR   3  -1.765  12.384  -7.245
   30    HE2  TYR   3           HE2      TYR   3  -0.548   8.942  -9.416
   31    HH   TYR   3           HH       TYR   3   0.255  11.548  -9.534
   32    H    GLN   4           H        GLN   4  -4.951   6.100  -5.189
   33    HA   GLN   4           HA       GLN   4  -4.732   5.187  -2.346
   34   1HB   GLN   4          1HB       GLN   4  -7.068   5.703  -2.780
   35   2HB   GLN   4          2HB       GLN   4  -7.026   4.925  -4.348
   36   1HG   GLN   4          2HG       GLN   4  -8.222   3.566  -2.588
   37   2HG   GLN   4          1HG       GLN   4  -6.883   2.704  -3.325
   38   1HE2  GLN   4          1HE2      GLN   4  -5.510   1.742  -1.906
   39   2HE2  GLN   4          2HE2      GLN   4  -5.298   2.175  -0.282
   40    H    CYS   5           H        CYS   5  -3.887   3.165  -2.040
   41    HA   CYS   5           HA       CYS   5  -2.367   1.922  -4.054
   42   1HB   CYS   5          1HB       CYS   5  -2.056   1.639  -1.623
   43   2HB   CYS   5          2HB       CYS   5  -3.551   0.712  -1.558
   44    H    GLN   6           H        GLN   6  -2.568  -0.361  -4.698
   45    HA   GLN   6           HA       GLN   6  -5.337  -0.917  -5.694
   46   1HB   GLN   6          1HB       GLN   6  -2.658  -1.726  -6.904
   47   2HB   GLN   6          2HB       GLN   6  -4.216  -2.046  -7.628
   48   1HG   GLN   6          2HG       GLN   6  -3.034   0.737  -7.097
   49   2HG   GLN   6          1HG       GLN   6  -3.116  -0.056  -8.653
   50   1HE2  GLN   6          2HE2      GLN   6  -6.017  -1.000  -7.503
   51   2HE2  GLN   6          1HE2      GLN   6  -6.965   0.345  -7.921
   52    H    TYR   7           H        TYR   7  -3.513  -1.933  -3.311
   53    HA   TYR   7           HA       TYR   7  -4.520  -4.736  -3.491
   54   1HB   TYR   7          1HB       TYR   7  -1.762  -3.794  -2.563
   55   2HB   TYR   7          2HB       TYR   7  -2.392  -5.393  -2.213
   56    HD1  TYR   7           HD1      TYR   7  -3.344  -6.722  -4.303
   57    HD2  TYR   7           HD2      TYR   7  -0.573  -3.497  -4.594
   58    HE1  TYR   7           HE1      TYR   7  -2.671  -7.505  -6.521
   59    HE2  TYR   7           HE2      TYR   7   0.099  -4.292  -6.817
   60    HH   TYR   7           HH       TYR   7  -0.183  -5.789  -8.395
   61    H    CYS   8           H        CYS   8  -3.221  -2.258  -1.355
   62    HA   CYS   8           HA       CYS   8  -5.012  -3.219   0.845
   63   1HB   CYS   8          1HB       CYS   8  -3.428  -2.379   2.404
   64   2HB   CYS   8          2HB       CYS   8  -2.447  -3.039   1.124
   65    H    GLU   9           H        GLU   9  -4.846  -0.879   2.323
   66    HA   GLU   9           HA       GLU   9  -6.401   1.033   0.617
   67   1HB   GLU   9          1HB       GLU   9  -7.572  -0.383   2.474
   68   2HB   GLU   9          2HB       GLU   9  -6.798   0.725   3.603
   69   1HG   GLU   9          2HG       GLU   9  -8.937   1.674   3.229
   70   2HG   GLU   9          1HG       GLU   9  -7.893   2.620   2.188
   71    H1   HAC  10           H1       HAC  10  -0.927   4.435   2.430
   72   1H2   HAC  10          1H2       HAC  10   0.269   4.551   0.201
   73   2H2   HAC  10          2H2       HAC  10   1.102   3.084   0.626
   74   1H3   HAC  10          1H3       HAC  10   1.256   5.701   2.192
   75   2H3   HAC  10          2H3       HAC  10   2.501   5.080   1.119
   76   1H4   HAC  10          1H4       HAC  10   2.766   3.087   2.563
   77   2H4   HAC  10          2H4       HAC  10   3.008   4.548   3.506
   78   1H5   HAC  10          1H5       HAC  10   1.564   2.914   4.712
   79   2H5   HAC  10          2H5       HAC  10   0.681   4.391   4.379
   80   1H6   HAC  10          1H6       HAC  10   0.520   1.790   2.801
   81   2H6   HAC  10          2H6       HAC  10  -0.732   2.455   3.829
   82   1H7   HAC  10          1H7       HAC  10  -1.429   2.941   0.121
   83   2H7   HAC  10          2H7       HAC  10  -1.486   1.698   1.311
   84    H8   HAC  10           H8       HAC  10  -2.976   3.370   2.680
   85   1HN8  HAC  10          1HN8      HAC  10  -3.793   1.504   0.532
   86    H    ARG  11           H        ARG  11  -2.233   5.489   2.212
   87    HA   ARG  11           HA       ARG  11  -3.663   6.885  -0.006
   88   1HB   ARG  11          1HB       ARG  11  -2.965   8.282   2.581
   89   2HB   ARG  11          2HB       ARG  11  -4.253   8.636   1.456
   90   1HG   ARG  11          2HG       ARG  11  -4.174   6.210   3.303
   91   2HG   ARG  11          1HG       ARG  11  -5.051   7.686   3.616
   92   1HD   ARG  11          2HD       ARG  11  -6.577   7.328   1.805
   93   2HD   ARG  11          1HD       ARG  11  -5.608   6.023   1.129
   94    HE   ARG  11           HE       ARG  11  -6.176   4.655   3.091
   95   1HH1  ARG  11          2HH2      ARG  11  -7.039   7.435   4.397
   96   2HH1  ARG  11          1HH2      ARG  11  -8.716   7.092   4.656
   97   1HH2  ARG  11          2HH1      ARG  11  -8.657   4.238   2.624
   98   2HH2  ARG  11          1HH1      ARG  11  -9.653   5.227   3.636
   99    H    SER  12           H        SER  12  -2.384   7.884  -1.370
  100    HA   SER  12           HA       SER  12   0.272   8.972  -0.500
  101   1HB   SER  12          2HB       SER  12  -0.209   7.682  -3.249
  102   2HB   SER  12          1HB       SER  12   1.295   8.282  -2.591
  103    HG   SER  12           HG       SER  12   0.179   6.565  -0.847
  104    H    ALA  13           H        ALA  13   1.016  10.546  -2.276
  105    HA   ALA  13           HA       ALA  13  -1.325  12.161  -3.241
  106   1HB   ALA  13          1HB       ALA  13   1.397  13.140  -2.282
  107   2HB   ALA  13          2HB       ALA  13  -0.103  13.259  -1.370
  108   3HB   ALA  13          3HB       ALA  13   0.090  14.165  -2.864
  109    H    ASP  14           H        ASP  14   1.540  10.532  -4.021
  110    HA   ASP  14           HA       ASP  14   1.423  11.592  -6.814
  111   1HB   ASP  14          1HB       ASP  14   3.288  12.656  -5.700
  112   2HB   ASP  14          2HB       ASP  14   3.869  11.123  -5.058
  113    H    SER  15           H        SER  15   2.322  10.230  -8.411
  114    HA   SER  15           HA       SER  15   1.402   7.497  -8.213
  115   1HB   SER  15          2HB       SER  15   1.291   8.745 -10.395
  116   2HB   SER  15          1HB       SER  15   3.038   8.973 -10.367
  117    HG   SER  15           HG       SER  15   2.633   6.398  -9.999
  118    H    SER  16           H        SER  16   4.609   8.740  -9.023
  119    HA   SER  16           HA       SER  16   6.147   6.456  -8.733
  120   1HB   SER  16          2HB       SER  16   7.003   9.270  -7.814
  121   2HB   SER  16          1HB       SER  16   8.068   7.973  -8.359
  122    HG   SER  16           HG       SER  16   7.611   8.530 -10.322
  123    H    ASN  17           H        ASN  17   4.637   8.321  -6.238
  124    HA   ASN  17           HA       ASN  17   6.138   7.177  -4.010
  125   1HB   ASN  17          1HB       ASN  17   4.908   9.428  -3.900
  126   2HB   ASN  17          2HB       ASN  17   3.389   8.542  -3.870
  127   1HD2  ASN  17          2HD2      ASN  17   2.747   7.571  -1.769
  128   2HD2  ASN  17          1HD2      ASN  17   3.754   7.701  -0.427
  129    H    LEU  18           H        LEU  18   2.715   6.803  -5.106
  130    HA   LEU  18           HA       LEU  18   2.096   4.661  -3.389
  131   1HB   LEU  18          1HB       LEU  18   0.501   5.975  -4.994
  132   2HB   LEU  18          2HB       LEU  18   1.096   4.942  -6.290
  133    HG   LEU  18           HG       LEU  18   0.259   2.919  -4.885
  134   1HD1  LEU  18          1HD1      LEU  18   0.187   4.157  -2.701
  135   2HD1  LEU  18          2HD1      LEU  18  -1.369   3.479  -3.099
  136   3HD1  LEU  18          3HD1      LEU  18  -1.082   5.186  -3.341
  137   1HD2  LEU  18          1HD2      LEU  18  -2.061   3.288  -5.610
  138   2HD2  LEU  18          2HD2      LEU  18  -0.948   3.872  -6.832
  139   3HD2  LEU  18          3HD2      LEU  18  -1.764   5.012  -5.773
  140    H    LYS  19           H        LYS  19   3.674   4.667  -6.489
  141    HA   LYS  19           HA       LYS  19   3.808   1.848  -6.836
  142   1HB   LYS  19          1HB       LYS  19   4.335   3.601  -8.614
  143   2HB   LYS  19          2HB       LYS  19   5.786   4.025  -7.735
  144   1HG   LYS  19          2HG       LYS  19   6.359   2.539  -9.599
  145   2HG   LYS  19          1HG       LYS  19   6.686   1.744  -8.073
  146   1HD   LYS  19          2HD       LYS  19   4.526   0.494  -8.253
  147   2HD   LYS  19          1HD       LYS  19   4.197   1.289  -9.787
  148   1HE   LYS  19          2HE       LYS  19   6.249   0.261 -10.736
  149   2HE   LYS  19          1HE       LYS  19   6.579  -0.515  -9.193
  150   1HZ   LYS  19          1HZ       LYS  19   5.257  -2.145  -9.759
  151   2HZ   LYS  19          2HZ       LYS  19   4.932  -1.406 -11.250
  152   3HZ   LYS  19          3HZ       LYS  19   3.942  -1.083  -9.912
  153    H    THR  20           H        THR  20   6.348   4.055  -5.536
  154    HA   THR  20           HA       THR  20   8.188   2.190  -4.643
  155    HB   THR  20           HB       THR  20   7.276   4.813  -3.328
  156    HG1  THR  20           HG1      THR  20   8.151   5.130  -5.260
  157   1HG2  THR  20          1HG2      THR  20   9.880   3.227  -2.918
  158   2HG2  THR  20          2HG2      THR  20   8.617   3.349  -1.699
  159   3HG2  THR  20          3HG2      THR  20   9.491   4.784  -2.197
  160    H    HIS  21           H        HIS  21   5.232   3.229  -3.024
  161    HA   HIS  21           HA       HIS  21   5.505   1.720  -0.656
  162   1HB   HIS  21          1HB       HIS  21   3.770   3.330  -0.632
  163   2HB   HIS  21          2HB       HIS  21   3.145   2.874  -2.198
  164    HD1  HIS  21           HD1      HIS  21   3.214   1.491   1.298
  165    HD2  HIS  21           HD2      HIS  21   1.144   1.052  -2.190
  166    HE1  HIS  21           HE1      HIS  21   1.294   0.001   1.803
  167    H    ILE  22           H        ILE  22   3.551   0.835  -3.551
  168    HA   ILE  22           HA       ILE  22   2.926  -1.793  -2.850
  169    HB   ILE  22           HB       ILE  22   3.596  -0.687  -5.625
  170   1HG1  ILE  22          2HG1      ILE  22   0.890  -1.166  -4.295
  171   2HG1  ILE  22          1HG1      ILE  22   1.682   0.390  -4.255
  172   1HG2  ILE  22          1HG2      ILE  22   2.055  -3.235  -4.883
  173   2HG2  ILE  22          2HG2      ILE  22   3.658  -3.208  -5.605
  174   3HG2  ILE  22          3HG2      ILE  22   2.279  -2.631  -6.513
  175   1HD1  ILE  22          1HD1      ILE  22   0.056   0.320  -6.076
  176   2HD1  ILE  22          2HD1      ILE  22   0.808  -1.110  -6.763
  177   3HD1  ILE  22          3HD1      ILE  22   1.673   0.421  -6.760
  178    H    LYS  23           H        LYS  23   5.739  -0.741  -4.661
  179    HA   LYS  23           HA       LYS  23   7.087  -3.105  -5.117
  180   1HB   LYS  23          1HB       LYS  23   8.156  -0.330  -4.498
  181   2HB   LYS  23          2HB       LYS  23   9.197  -1.646  -5.002
  182   1HG   LYS  23          2HG       LYS  23   8.106  -1.859  -7.117
  183   2HG   LYS  23          1HG       LYS  23   6.759  -0.855  -6.625
  184   1HD   LYS  23          2HD       LYS  23   8.350   0.367  -8.107
  185   2HD   LYS  23          1HD       LYS  23   8.181   1.131  -6.541
  186   1HE   LYS  23          2HE       LYS  23  10.551   1.064  -7.272
  187   2HE   LYS  23          1HE       LYS  23  10.342   0.114  -5.812
  188   1HZ   LYS  23          1HZ       LYS  23   9.861  -1.530  -8.026
  189   2HZ   LYS  23          2HZ       LYS  23  11.106  -1.633  -6.876
  190   3HZ   LYS  23          3HZ       LYS  23  11.323  -0.706  -8.283
  191    H    THR  24           H        THR  24   6.991  -1.414  -2.051
  192    HA   THR  24           HA       THR  24   8.944  -3.359  -0.923
  193    HB   THR  24           HB       THR  24   8.015  -0.739   0.371
  194    HG1  THR  24           HG1      THR  24   8.817  -0.185  -1.552
  195   1HG2  THR  24          1HG2      THR  24  10.680  -2.286   0.392
  196   2HG2  THR  24          2HG2      THR  24   9.524  -2.430   1.701
  197   3HG2  THR  24          3HG2      THR  24  10.290  -0.883   1.371
  198    H    LYS  25           H        LYS  25   5.679  -2.200  -0.413
  199    HA   LYS  25           HA       LYS  25   5.281  -3.919   1.947
  200   1HB   LYS  25          1HB       LYS  25   3.449  -1.927   0.590
  201   2HB   LYS  25          2HB       LYS  25   3.101  -2.746   2.113
  202   1HG   LYS  25          2HG       LYS  25   5.411  -0.815   1.636
  203   2HG   LYS  25          1HG       LYS  25   3.896  -0.399   2.402
  204   1HD   LYS  25          2HD       LYS  25   5.128  -0.789   4.305
  205   2HD   LYS  25          1HD       LYS  25   4.526  -2.411   4.044
  206   1HE   LYS  25          2HE       LYS  25   6.937  -2.453   4.552
  207   2HE   LYS  25          1HE       LYS  25   6.707  -3.020   2.922
  208   1HZ   LYS  25          1HZ       LYS  25   7.969  -1.417   2.187
  209   2HZ   LYS  25          2HZ       LYS  25   8.259  -0.911   3.781
  210   3HZ   LYS  25          3HZ       LYS  25   6.989  -0.226   2.888
  211    H    HIS  26           H        HIS  26   4.533  -4.153  -1.424
  212    HA   HIS  26           HA       HIS  26   2.708  -6.428  -0.802
  213   1HB   HIS  26          1HB       HIS  26   2.563  -4.475  -3.106
  214   2HB   HIS  26          2HB       HIS  26   1.525  -5.877  -2.946
  215    HD1  HIS  26           HD1      HIS  26   0.722  -5.728  -0.059
  216    HD2  HIS  26           HD2      HIS  26   1.020  -2.350  -2.339
  217    HE1  HIS  26           HE1      HIS  26  -0.674  -3.993   1.057
  218    H    SER  27           H        SER  27   4.843  -5.246  -3.258
  219    HA   SER  27           HA       SER  27   5.523  -8.072  -3.983
  220   1HB   SER  27          2HB       SER  27   4.044  -7.117  -5.705
  221   2HB   SER  27          1HB       SER  27   5.149  -5.756  -5.939
  222    HG   SER  27           HG       SER  27   5.315  -8.255  -6.903
  223    H    LYS  28           H        LYS  28   7.331  -7.851  -2.570
  224    HA   LYS  28           HA       LYS  28   9.473  -6.284  -2.357
  225   1HB   LYS  28          1HB       LYS  28   9.531  -9.281  -2.875
  226   2HB   LYS  28          2HB       LYS  28  10.926  -8.411  -2.286
  227   1HG   LYS  28          2HG       LYS  28   8.204  -8.495  -0.893
  228   2HG   LYS  28          1HG       LYS  28   9.552  -9.519  -0.468
  229   1HD   LYS  28          2HD       LYS  28   9.516  -6.454  -0.275
  230   2HD   LYS  28          1HD       LYS  28   9.378  -7.562   1.066
  231   1HE   LYS  28          2HE       LYS  28  11.829  -7.309  -0.736
  232   2HE   LYS  28          1HE       LYS  28  11.683  -6.716   0.902
  233   1HZ   LYS  28          1HZ       LYS  28  12.307  -8.670   1.636
  234   2HZ   LYS  28          2HZ       LYS  28  12.410  -9.268   0.052
  235   3HZ   LYS  28          3HZ       LYS  28  10.957  -9.405   0.915
  236    H    GLU  29           H        GLU  29   9.736  -5.002  -3.987
  237    HA   GLU  29           HA       GLU  29  10.051  -4.341  -6.214
  238   1HB   GLU  29          1HB       GLU  29  12.381  -3.441  -6.064
  239   2HB   GLU  29          2HB       GLU  29  11.483  -3.267  -4.580
  240   1HG   GLU  29          2HG       GLU  29  13.490  -5.507  -5.136
  241   2HG   GLU  29          1HG       GLU  29  13.839  -4.061  -4.217
  242    H    LYS  30           H        LYS  30  11.819  -5.892  -8.877
  243    HA   LYS  30           HA       LYS  30  10.710  -3.376  -7.715
  244   1HB   LYS  30          1HB       LYS  30  11.932  -3.959 -10.419
  245   2HB   LYS  30          2HB       LYS  30  11.196  -2.435  -9.986
  246   1HG   LYS  30          2HG       LYS  30  13.540  -2.141  -9.692
  247   2HG   LYS  30          1HG       LYS  30  12.867  -2.233  -8.081
  248   1HD   LYS  30          2HD       LYS  30  13.623  -4.529  -7.796
  249   2HD   LYS  30          1HD       LYS  30  14.088  -4.636  -9.489
  250   1HE   LYS  30          2HE       LYS  30  15.312  -2.743  -7.423
  251   2HE   LYS  30          1HE       LYS  30  16.040  -4.243  -7.973
  252   1HZ   LYS  30          1HZ       LYS  30  16.908  -3.173  -9.661
  253   2HZ   LYS  30          2HZ       LYS  30  16.192  -1.725  -9.146
  254   3HZ   LYS  30          3HZ       LYS  30  15.365  -2.741 -10.225
  Start of MODEL   29
    1   1H    LYS   1          1H        LYS   1 -10.640  12.362  -5.692
    2   2H    LYS   1          2H        LYS   1  -9.105  12.177  -6.390
    3   3H    LYS   1          3H        LYS   1 -10.164  13.371  -6.972
    4    HA   LYS   1           HA       LYS   1  -9.329  14.834  -5.587
    5   1HB   LYS   1          2HB       LYS   1 -11.100  14.013  -4.022
    6   2HB   LYS   1          1HB       LYS   1 -10.000  12.804  -3.391
    7   1HG   LYS   1          2HG       LYS   1  -8.430  14.909  -2.876
    8   2HG   LYS   1          1HG       LYS   1  -9.908  15.826  -3.065
    9   1HD   LYS   1          2HD       LYS   1  -9.465  13.550  -1.084
   10   2HD   LYS   1          1HD       LYS   1  -9.490  15.255  -0.699
   11   1HE   LYS   1          2HE       LYS   1 -11.876  15.394  -1.436
   12   2HE   LYS   1          1HE       LYS   1 -11.851  13.668  -1.790
   13   1HZ   LYS   1          1HZ       LYS   1 -10.867  14.028   0.793
   14   2HZ   LYS   1          2HZ       LYS   1 -12.305  13.267   0.303
   15   3HZ   LYS   1          3HZ       LYS   1 -12.299  14.929   0.651
   16    H    THR   2           H        THR   2  -8.405  11.819  -4.010
   17    HA   THR   2           HA       THR   2  -5.501  12.499  -4.294
   18    HB   THR   2           HB       THR   2  -6.794  11.045  -1.902
   19    HG1  THR   2           HG1      THR   2  -7.463  12.980  -1.455
   20   1HG2  THR   2          1HG2      THR   2  -4.218  10.907  -2.129
   21   2HG2  THR   2          2HG2      THR   2  -4.758  11.842  -0.752
   22   3HG2  THR   2          3HG2      THR   2  -4.194  12.665  -2.191
   23    H    TYR   3           H        TYR   3  -4.226  10.363  -3.805
   24    HA   TYR   3           HA       TYR   3  -5.453   8.142  -5.401
   25   1HB   TYR   3          1HB       TYR   3  -2.536   8.991  -5.234
   26   2HB   TYR   3          2HB       TYR   3  -3.143   7.629  -6.167
   27    HD1  TYR   3           HD1      TYR   3  -4.721   8.095  -8.136
   28    HD2  TYR   3           HD2      TYR   3  -2.682  11.195  -6.066
   29    HE1  TYR   3           HE1      TYR   3  -5.130   9.627 -10.007
   30    HE2  TYR   3           HE2      TYR   3  -3.088  12.723  -7.928
   31    HH   TYR   3           HH       TYR   3  -3.950  12.978  -9.948
   32    H    GLN   4           H        GLN   4  -5.548   6.226  -4.488
   33    HA   GLN   4           HA       GLN   4  -4.020   5.750  -1.973
   34   1HB   GLN   4          1HB       GLN   4  -5.977   4.149  -1.403
   35   2HB   GLN   4          2HB       GLN   4  -6.380   5.845  -1.421
   36   1HG   GLN   4          2HG       GLN   4  -8.176   4.624  -2.453
   37   2HG   GLN   4          1HG       GLN   4  -7.379   5.541  -3.715
   38   1HE2  GLN   4          2HE2      GLN   4  -8.131   2.346  -2.554
   39   2HE2  GLN   4          1HE2      GLN   4  -7.490   1.494  -3.876
   40    H    CYS   5           H        CYS   5  -4.112   2.998  -1.689
   41    HA   CYS   5           HA       CYS   5  -2.416   2.236  -3.942
   42   1HB   CYS   5          1HB       CYS   5  -1.894   1.709  -1.622
   43   2HB   CYS   5          2HB       CYS   5  -3.302   0.656  -1.539
   44    H    GLN   6           H        GLN   6  -2.445   0.257  -4.928
   45    HA   GLN   6           HA       GLN   6  -5.075  -0.481  -6.086
   46   1HB   GLN   6          1HB       GLN   6  -3.409   0.416  -7.586
   47   2HB   GLN   6          2HB       GLN   6  -2.186  -0.676  -6.987
   48   1HG   GLN   6          2HG       GLN   6  -3.323  -2.606  -8.010
   49   2HG   GLN   6          1HG       GLN   6  -4.652  -1.566  -8.526
   50   1HE2  GLN   6          1HE2      GLN   6  -1.294  -2.452  -9.125
   51   2HE2  GLN   6          2HE2      GLN   6  -1.121  -1.571 -10.568
   52    H    TYR   7           H        TYR   7  -3.118  -1.510  -3.740
   53    HA   TYR   7           HA       TYR   7  -3.781  -4.417  -4.057
   54   1HB   TYR   7          1HB       TYR   7  -1.422  -3.030  -2.746
   55   2HB   TYR   7          2HB       TYR   7  -1.767  -4.737  -2.488
   56    HD1  TYR   7           HD1      TYR   7  -1.240  -2.287  -5.328
   57    HD2  TYR   7           HD2      TYR   7  -0.752  -6.276  -3.903
   58    HE1  TYR   7           HE1      TYR   7   0.001  -2.868  -7.355
   59    HE2  TYR   7           HE2      TYR   7   0.491  -6.849  -5.927
   60    HH   TYR   7           HH       TYR   7   1.284  -6.138  -7.875
   61    H    CYS   8           H        CYS   8  -3.113  -1.835  -1.783
   62    HA   CYS   8           HA       CYS   8  -5.149  -2.909   0.139
   63   1HB   CYS   8          1HB       CYS   8  -3.768  -2.147   1.940
   64   2HB   CYS   8          2HB       CYS   8  -2.651  -2.831   0.792
   65    H    GLU   9           H        GLU   9  -5.177  -0.690   1.733
   66    HA   GLU   9           HA       GLU   9  -6.294   1.450  -0.038
   67   1HB   GLU   9          1HB       GLU   9  -8.099   0.168   1.095
   68   2HB   GLU   9          2HB       GLU   9  -7.345   0.458   2.660
   69   1HG   GLU   9          2HG       GLU   9  -9.342   1.973   2.003
   70   2HG   GLU   9          1HG       GLU   9  -7.934   2.774   2.651
   71    H1   HAC  10           H1       HAC  10  -0.913   4.543   2.174
   72   1H2   HAC  10          1H2       HAC  10  -0.031   4.610  -0.088
   73   2H2   HAC  10          2H2       HAC  10   0.581   2.995   0.042
   74   1H3   HAC  10          1H3       HAC  10   2.118   5.245   0.393
   75   2H3   HAC  10          2H3       HAC  10   2.530   3.672   1.033
   76   1H4   HAC  10          1H4       HAC  10   2.702   5.400   2.783
   77   2H4   HAC  10          2H4       HAC  10   1.029   5.851   2.552
   78   1H5   HAC  10          1H5       HAC  10   2.187   3.352   3.804
   79   2H5   HAC  10          2H5       HAC  10   0.903   4.377   4.398
   80   1H6   HAC  10          1H6       HAC  10   0.755   2.056   2.553
   81   2H6   HAC  10          2H6       HAC  10  -0.431   2.631   3.706
   82   1H7   HAC  10          1H7       HAC  10  -1.649   2.617   0.203
   83   2H7   HAC  10          2H7       HAC  10  -1.614   1.707   1.663
   84    H8   HAC  10           H8       HAC  10  -3.185   3.362   2.733
   85   1HN8  HAC  10          1HN8      HAC  10  -3.899   1.820   0.277
   86    H    ARG  11           H        ARG  11  -2.277   5.580   2.285
   87    HA   ARG  11           HA       ARG  11  -3.487   6.922  -0.110
   88   1HB   ARG  11          1HB       ARG  11  -4.625   7.355   2.151
   89   2HB   ARG  11          2HB       ARG  11  -3.138   8.082   2.691
   90   1HG   ARG  11          2HG       ARG  11  -4.837   9.082   0.357
   91   2HG   ARG  11          1HG       ARG  11  -4.830   9.769   1.964
   92   1HD   ARG  11          2HD       ARG  11  -2.572   9.881  -0.081
   93   2HD   ARG  11          1HD       ARG  11  -3.447  11.198   0.661
   94    HE   ARG  11           HE       ARG  11  -1.621   9.453   2.244
   95   1HH1  ARG  11          1HH1      ARG  11  -3.526  11.456   3.517
   96   2HH1  ARG  11          2HH1      ARG  11  -2.470  12.807   3.774
   97   1HH2  ARG  11          2HH2      ARG  11  -0.028  11.576   1.583
   98   2HH2  ARG  11          1HH2      ARG  11  -0.431  12.866   2.668
   99    H    SER  12           H        SER  12  -2.041   7.999  -1.291
  100    HA   SER  12           HA       SER  12   0.670   8.551  -0.144
  101   1HB   SER  12          2HB       SER  12  -0.103   7.681  -2.977
  102   2HB   SER  12          1HB       SER  12   1.509   8.195  -2.526
  103    HG   SER  12           HG       SER  12   0.282   5.842  -2.029
  104    H    ALA  13           H        ALA  13  -1.357   9.413  -2.847
  105    HA   ALA  13           HA       ALA  13  -2.388  11.557  -3.274
  106   1HB   ALA  13          1HB       ALA  13   0.183  12.802  -2.136
  107   2HB   ALA  13          2HB       ALA  13  -1.362  12.750  -1.286
  108   3HB   ALA  13          3HB       ALA  13  -1.201  13.674  -2.763
  109    H    ASP  14           H        ASP  14   0.566  10.148  -3.937
  110    HA   ASP  14           HA       ASP  14   0.755  11.460  -6.615
  111   1HB   ASP  14          1HB       ASP  14   2.564  12.173  -5.071
  112   2HB   ASP  14          2HB       ASP  14   2.971  10.491  -4.744
  113    H    SER  15           H        SER  15   2.256   9.886  -7.999
  114    HA   SER  15           HA       SER  15   0.962   7.196  -7.941
  115   1HB   SER  15          2HB       SER  15   1.527   7.165 -10.403
  116   2HB   SER  15          1HB       SER  15   0.570   8.596  -9.987
  117    HG   SER  15           HG       SER  15   2.199   9.754 -10.542
  118    H    SER  16           H        SER  16   4.039   8.667  -8.863
  119    HA   SER  16           HA       SER  16   5.640   6.384  -9.043
  120   1HB   SER  16          2HB       SER  16   6.551   9.092  -7.942
  121   2HB   SER  16          1HB       SER  16   7.528   7.905  -8.825
  122    HG   SER  16           HG       SER  16   5.140   8.738 -10.017
  123    H    ASN  17           H        ASN  17   4.932   8.386  -6.302
  124    HA   ASN  17           HA       ASN  17   6.475   7.076  -4.306
  125   1HB   ASN  17          1HB       ASN  17   3.839   8.599  -3.954
  126   2HB   ASN  17          2HB       ASN  17   5.028   8.309  -2.701
  127   1HD2  ASN  17          1HD2      ASN  17   6.939   8.893  -5.364
  128   2HD2  ASN  17          2HD2      ASN  17   7.097  10.576  -5.216
  129    H    LEU  18           H        LEU  18   3.140   6.613  -5.390
  130    HA   LEU  18           HA       LEU  18   2.442   4.620  -3.475
  131   1HB   LEU  18          1HB       LEU  18   0.834   5.887  -5.042
  132   2HB   LEU  18          2HB       LEU  18   1.411   4.864  -6.350
  133    HG   LEU  18           HG       LEU  18   0.692   2.836  -4.979
  134   1HD1  LEU  18          1HD1      LEU  18  -0.730   4.988  -3.336
  135   2HD1  LEU  18          2HD1      LEU  18   0.595   3.996  -2.748
  136   3HD1  LEU  18          3HD1      LEU  18  -0.933   3.261  -3.131
  137   1HD2  LEU  18          1HD2      LEU  18  -0.609   3.764  -6.880
  138   2HD2  LEU  18          2HD2      LEU  18  -1.445   4.855  -5.792
  139   3HD2  LEU  18          3HD2      LEU  18  -1.678   3.114  -5.659
  140    H    LYS  19           H        LYS  19   3.739   4.345  -6.758
  141    HA   LYS  19           HA       LYS  19   3.855   1.504  -6.863
  142   1HB   LYS  19          1HB       LYS  19   5.583   3.677  -8.141
  143   2HB   LYS  19          2HB       LYS  19   5.931   1.980  -8.424
  144   1HG   LYS  19          2HG       LYS  19   3.481   1.678  -9.122
  145   2HG   LYS  19          1HG       LYS  19   3.296   3.416  -9.015
  146   1HD   LYS  19          2HD       LYS  19   5.447   2.166 -10.748
  147   2HD   LYS  19          1HD       LYS  19   3.818   2.379 -11.350
  148   1HE   LYS  19          2HE       LYS  19   3.970   4.820 -10.913
  149   2HE   LYS  19          1HE       LYS  19   5.592   4.618 -10.268
  150   1HZ   LYS  19          1HZ       LYS  19   4.811   4.946 -12.921
  151   2HZ   LYS  19          2HZ       LYS  19   5.487   3.395 -12.776
  152   3HZ   LYS  19          3HZ       LYS  19   6.380   4.759 -12.299
  153    H    THR  20           H        THR  20   6.357   3.789  -5.700
  154    HA   THR  20           HA       THR  20   8.303   1.987  -4.825
  155    HB   THR  20           HB       THR  20   7.367   4.506  -3.284
  156    HG1  THR  20           HG1      THR  20   7.830   4.844  -5.467
  157   1HG2  THR  20          1HG2      THR  20   9.747   4.588  -2.556
  158   2HG2  THR  20          2HG2      THR  20  10.126   3.166  -3.517
  159   3HG2  THR  20          3HG2      THR  20   9.117   3.017  -2.087
  160    H    HIS  21           H        HIS  21   5.497   3.143  -2.949
  161    HA   HIS  21           HA       HIS  21   5.721   1.525  -0.679
  162   1HB   HIS  21          1HB       HIS  21   4.029   3.166  -0.585
  163   2HB   HIS  21          2HB       HIS  21   3.366   2.777  -2.154
  164    HD1  HIS  21           HD1      HIS  21   3.351   1.336   1.328
  165    HD2  HIS  21           HD2      HIS  21   1.283   1.052  -2.182
  166    HE1  HIS  21           HE1      HIS  21   1.354  -0.050   1.798
  167    H    ILE  22           H        ILE  22   3.735   0.730  -3.538
  168    HA   ILE  22           HA       ILE  22   2.949  -1.854  -2.939
  169    HB   ILE  22           HB       ILE  22   3.780  -0.684  -5.648
  170   1HG1  ILE  22          2HG1      ILE  22   1.026  -1.131  -4.386
  171   2HG1  ILE  22          1HG1      ILE  22   1.883   0.375  -4.211
  172   1HG2  ILE  22          1HG2      ILE  22   2.435  -2.512  -6.669
  173   2HG2  ILE  22          2HG2      ILE  22   2.120  -3.197  -5.085
  174   3HG2  ILE  22          3HG2      ILE  22   3.746  -3.209  -5.743
  175   1HD1  ILE  22          1HD1      ILE  22   0.981  -0.831  -6.859
  176   2HD1  ILE  22          2HD1      ILE  22   1.872   0.671  -6.687
  177   3HD1  ILE  22          3HD1      ILE  22   0.254   0.530  -6.027
  178    H    LYS  23           H        LYS  23   5.958  -0.972  -4.509
  179    HA   LYS  23           HA       LYS  23   7.112  -3.504  -4.837
  180   1HB   LYS  23          1HB       LYS  23   8.145  -0.704  -4.686
  181   2HB   LYS  23          2HB       LYS  23   9.344  -1.957  -4.509
  182   1HG   LYS  23          2HG       LYS  23   7.360  -1.866  -6.817
  183   2HG   LYS  23          1HG       LYS  23   8.951  -1.124  -6.880
  184   1HD   LYS  23          2HD       LYS  23   9.971  -3.373  -6.292
  185   2HD   LYS  23          1HD       LYS  23   8.379  -4.095  -6.411
  186   1HE   LYS  23          2HE       LYS  23   9.773  -2.638  -8.682
  187   2HE   LYS  23          1HE       LYS  23   9.665  -4.383  -8.505
  188   1HZ   LYS  23          1HZ       LYS  23   7.795  -2.638  -9.621
  189   2HZ   LYS  23          2HZ       LYS  23   7.094  -3.347  -8.244
  190   3HZ   LYS  23          3HZ       LYS  23   7.720  -4.329  -9.481
  191    H    THR  24           H        THR  24   7.566  -1.321  -2.123
  192    HA   THR  24           HA       THR  24   9.192  -3.262  -0.642
  193    HB   THR  24           HB       THR  24   8.274  -0.446   0.150
  194    HG1  THR  24           HG1      THR  24   9.939  -1.446  -1.701
  195   1HG2  THR  24          1HG2      THR  24   9.301  -1.868   2.067
  196   2HG2  THR  24          2HG2      THR  24  10.288  -0.503   1.595
  197   3HG2  THR  24          3HG2      THR  24  10.702  -2.116   1.037
  198    H    LYS  25           H        LYS  25   5.835  -2.482  -0.597
  199    HA   LYS  25           HA       LYS  25   5.518  -3.865   2.020
  200   1HB   LYS  25          1HB       LYS  25   3.755  -1.810   0.664
  201   2HB   LYS  25          2HB       LYS  25   3.318  -2.620   2.156
  202   1HG   LYS  25          2HG       LYS  25   5.732  -0.805   1.700
  203   2HG   LYS  25          1HG       LYS  25   4.306  -0.405   2.625
  204   1HD   LYS  25          2HD       LYS  25   6.357  -2.552   3.362
  205   2HD   LYS  25          1HD       LYS  25   6.150  -1.003   4.134
  206   1HE   LYS  25          2HE       LYS  25   3.888  -1.626   4.906
  207   2HE   LYS  25          1HE       LYS  25   4.027  -3.186   4.106
  208   1HZ   LYS  25          1HZ       LYS  25   5.056  -3.971   5.848
  209   2HZ   LYS  25          2HZ       LYS  25   4.918  -2.472   6.634
  210   3HZ   LYS  25          3HZ       LYS  25   6.291  -2.813   5.689
  211    H    HIS  26           H        HIS  26   4.429  -4.131  -1.307
  212    HA   HIS  26           HA       HIS  26   2.549  -6.264  -0.428
  213   1HB   HIS  26          1HB       HIS  26   2.619  -4.569  -2.928
  214   2HB   HIS  26          2HB       HIS  26   1.560  -5.948  -2.756
  215    HD1  HIS  26           HD1      HIS  26   0.480  -5.672  -0.015
  216    HD2  HIS  26           HD2      HIS  26   1.150  -2.352  -2.295
  217    HE1  HIS  26           HE1      HIS  26  -0.941  -3.867   0.940
  218    H    SER  27           H        SER  27   4.691  -5.701  -3.092
  219    HA   SER  27           HA       SER  27   4.969  -7.739  -4.686
  220   1HB   SER  27          2HB       SER  27   7.347  -6.862  -2.979
  221   2HB   SER  27          1HB       SER  27   7.474  -7.695  -4.531
  222    HG   SER  27           HG       SER  27   5.716  -5.585  -4.544
  223    H    LYS  28           H        LYS  28   3.653  -9.448  -3.502
  224    HA   LYS  28           HA       LYS  28   3.426 -11.525  -2.478
  225   1HB   LYS  28          1HB       LYS  28   6.104 -11.679  -3.934
  226   2HB   LYS  28          2HB       LYS  28   5.511 -13.071  -3.055
  227   1HG   LYS  28          2HG       LYS  28   4.864 -13.266  -5.394
  228   2HG   LYS  28          1HG       LYS  28   3.431 -13.064  -4.415
  229   1HD   LYS  28          2HD       LYS  28   3.282 -10.684  -5.063
  230   2HD   LYS  28          1HD       LYS  28   4.803 -10.801  -5.939
  231   1HE   LYS  28          2HE       LYS  28   3.740 -12.511  -7.448
  232   2HE   LYS  28          1HE       LYS  28   2.228 -12.327  -6.567
  233   1HZ   LYS  28          1HZ       LYS  28   3.129  -9.789  -7.281
  234   2HZ   LYS  28          2HZ       LYS  28   1.746 -10.614  -7.823
  235   3HZ   LYS  28          3HZ       LYS  28   3.214 -10.780  -8.659
  236    H    GLU  29           H        GLU  29   3.847  -9.813  -0.695
  237    HA   GLU  29           HA       GLU  29   5.878 -10.774   1.272
  238   1HB   GLU  29          1HB       GLU  29   4.469  -8.064   1.104
  239   2HB   GLU  29          2HB       GLU  29   5.659  -8.517   2.307
  240   1HG   GLU  29          2HG       GLU  29   7.399  -8.696   0.596
  241   2HG   GLU  29          1HG       GLU  29   6.212  -8.473  -0.676
  242    H    LYS  30           H        LYS  30   2.829  -9.047   1.286
  243    HA   LYS  30           HA       LYS  30   1.414  -9.105   3.322
  244   1HB   LYS  30          1HB       LYS  30  -0.535 -10.387   2.245
  245   2HB   LYS  30          2HB       LYS  30   0.178  -9.089   1.320
  246   1HG   LYS  30          2HG       LYS  30  -0.201 -10.999  -0.153
  247   2HG   LYS  30          1HG       LYS  30   1.522 -10.742   0.013
  248   1HD   LYS  30          2HD       LYS  30   1.674 -12.597   1.646
  249   2HD   LYS  30          1HD       LYS  30  -0.070 -12.802   1.610
  250   1HE   LYS  30          2HE       LYS  30   1.043 -14.481   0.186
  251   2HE   LYS  30          1HE       LYS  30   0.105 -13.393  -0.824
  252   1HZ   LYS  30          1HZ       LYS  30   2.835 -13.939  -0.933
  253   2HZ   LYS  30          2HZ       LYS  30   2.660 -12.307  -0.501
  254   3HZ   LYS  30          3HZ       LYS  30   1.928 -12.893  -1.916
  Start of MODEL   30
    1   1H    LYS   1          1H        LYS   1  -8.519  15.782  -5.649
    2   2H    LYS   1          2H        LYS   1  -7.753  14.918  -4.404
    3   3H    LYS   1          3H        LYS   1  -9.407  14.685  -4.708
    4    HA   LYS   1           HA       LYS   1  -8.948  13.043  -6.067
    5   1HB   LYS   1          2HB       LYS   1  -8.877  14.937  -7.779
    6   2HB   LYS   1          1HB       LYS   1  -7.141  15.013  -7.583
    7   1HG   LYS   1          2HG       LYS   1  -7.011  12.571  -8.292
    8   2HG   LYS   1          1HG       LYS   1  -8.745  12.602  -8.559
    9   1HD   LYS   1          2HD       LYS   1  -8.374  14.530 -10.191
   10   2HD   LYS   1          1HD       LYS   1  -6.647  14.263 -10.005
   11   1HE   LYS   1          2HE       LYS   1  -8.572  12.068 -10.866
   12   2HE   LYS   1          1HE       LYS   1  -7.697  13.083 -11.998
   13   1HZ   LYS   1          1HZ       LYS   1  -6.032  11.712 -11.844
   14   2HZ   LYS   1          2HZ       LYS   1  -6.819  10.789 -10.663
   15   3HZ   LYS   1          3HZ       LYS   1  -5.807  12.076 -10.214
   16    H    THR   2           H        THR   2  -7.880  12.167  -4.239
   17    HA   THR   2           HA       THR   2  -4.898  12.083  -4.310
   18    HB   THR   2           HB       THR   2  -6.877  10.986  -2.220
   19    HG1  THR   2           HG1      THR   2  -5.365  13.166  -1.607
   20   1HG2  THR   2          1HG2      THR   2  -4.930  11.062  -0.684
   21   2HG2  THR   2          2HG2      THR   2  -3.897  11.661  -1.970
   22   3HG2  THR   2          3HG2      THR   2  -4.530  10.019  -2.022
   23    H    TYR   3           H        TYR   3  -4.086   9.769  -3.816
   24    HA   TYR   3           HA       TYR   3  -5.608   7.798  -5.478
   25   1HB   TYR   3          1HB       TYR   3  -2.563   8.075  -5.263
   26   2HB   TYR   3          2HB       TYR   3  -3.447   7.077  -6.401
   27    HD1  TYR   3           HD1      TYR   3  -2.566  10.539  -5.484
   28    HD2  TYR   3           HD2      TYR   3  -4.652   8.137  -8.315
   29    HE1  TYR   3           HE1      TYR   3  -2.804  12.482  -6.948
   30    HE2  TYR   3           HE2      TYR   3  -4.886  10.081  -9.782
   31    HH   TYR   3           HH       TYR   3  -3.502  13.241  -8.910
   32    H    GLN   4           H        GLN   4  -5.961   5.964  -4.576
   33    HA   GLN   4           HA       GLN   4  -4.931   5.367  -1.830
   34   1HB   GLN   4          1HB       GLN   4  -7.403   5.899  -2.482
   35   2HB   GLN   4          2HB       GLN   4  -7.429   4.356  -3.277
   36   1HG   GLN   4          2HG       GLN   4  -6.729   4.564  -0.347
   37   2HG   GLN   4          1HG       GLN   4  -8.394   4.643  -0.864
   38   1HE2  GLN   4          2HE2      GLN   4  -6.532   2.520  -2.889
   39   2HE2  GLN   4          1HE2      GLN   4  -7.018   1.079  -2.137
   40    H    CYS   5           H        CYS   5  -3.990   3.228  -1.502
   41    HA   CYS   5           HA       CYS   5  -2.471   2.120  -3.508
   42   1HB   CYS   5          1HB       CYS   5  -2.182   1.591  -1.140
   43   2HB   CYS   5          2HB       CYS   5  -3.694   0.699  -1.110
   44    H    GLN   6           H        GLN   6  -2.503  -0.005  -4.448
   45    HA   GLN   6           HA       GLN   6  -5.176  -0.670  -5.625
   46   1HB   GLN   6          1HB       GLN   6  -2.348  -0.859  -6.745
   47   2HB   GLN   6          2HB       GLN   6  -3.774  -1.425  -7.604
   48   1HG   GLN   6          2HG       GLN   6  -4.739   0.858  -7.589
   49   2HG   GLN   6          1HG       GLN   6  -3.425   1.451  -6.593
   50   1HE2  GLN   6          1HE2      GLN   6  -2.038   2.671  -7.811
   51   2HE2  GLN   6          2HE2      GLN   6  -1.567   2.334  -9.403
   52    H    TYR   7           H        TYR   7  -3.605  -1.658  -3.215
   53    HA   TYR   7           HA       TYR   7  -4.136  -4.553  -3.609
   54   1HB   TYR   7          1HB       TYR   7  -1.595  -3.301  -2.499
   55   2HB   TYR   7          2HB       TYR   7  -2.005  -4.982  -2.198
   56    HD1  TYR   7           HD1      TYR   7  -1.354  -2.509  -4.941
   57    HD2  TYR   7           HD2      TYR   7  -1.612  -6.630  -3.875
   58    HE1  TYR   7           HE1      TYR   7  -0.453  -3.136  -7.124
   59    HE2  TYR   7           HE2      TYR   7  -0.707  -7.247  -6.062
   60    HH   TYR   7           HH       TYR   7   0.164  -4.787  -8.458
   61    H    CYS   8           H        CYS   8  -3.137  -2.124  -1.261
   62    HA   CYS   8           HA       CYS   8  -5.107  -3.213   0.717
   63   1HB   CYS   8          1HB       CYS   8  -3.518  -2.714   2.446
   64   2HB   CYS   8          2HB       CYS   8  -2.519  -3.264   1.118
   65    H    GLU   9           H        GLU   9  -4.127  -0.396   1.996
   66    HA   GLU   9           HA       GLU   9  -6.212   1.160   0.569
   67   1HB   GLU   9          1HB       GLU   9  -6.855   0.593   2.835
   68   2HB   GLU   9          2HB       GLU   9  -5.342   1.240   3.471
   69   1HG   GLU   9          2HG       GLU   9  -7.443   2.935   2.046
   70   2HG   GLU   9          1HG       GLU   9  -7.378   2.724   3.782
   71    H1   HAC  10           H1       HAC  10  -0.289   4.641   2.103
   72   1H2   HAC  10          1H2       HAC  10   0.706   4.722  -0.196
   73   2H2   HAC  10          2H2       HAC  10   1.675   3.320   0.181
   74   1H3   HAC  10          1H3       HAC  10   1.779   5.996   1.625
   75   2H3   HAC  10          2H3       HAC  10   2.967   5.409   0.474
   76   1H4   HAC  10          1H4       HAC  10   3.509   3.514   1.984
   77   2H4   HAC  10          2H4       HAC  10   3.701   5.033   2.842
   78   1H5   HAC  10          1H5       HAC  10   2.489   3.338   4.215
   79   2H5   HAC  10          2H5       HAC  10   1.515   4.765   3.940
   80   1H6   HAC  10          1H6       HAC  10   1.312   2.095   2.495
   81   2H6   HAC  10          2H6       HAC  10   0.131   2.773   3.585
   82   1H7   HAC  10          1H7       HAC  10  -0.802   2.829  -0.063
   83   2H7   HAC  10          2H7       HAC  10  -0.938   1.848   1.351
   84    H8   HAC  10           H8       HAC  10  -2.177   3.830   2.387
   85   1HN8  HAC  10          1HN8      HAC  10  -3.108   1.573   2.154
   86    H    ARG  11           H        ARG  11  -2.721   5.726   2.120
   87    HA   ARG  11           HA       ARG  11  -3.573   6.780  -0.525
   88   1HB   ARG  11          1HB       ARG  11  -4.514   8.674   0.814
   89   2HB   ARG  11          2HB       ARG  11  -5.188   7.109   1.213
   90   1HG   ARG  11          2HG       ARG  11  -3.517   6.995   3.171
   91   2HG   ARG  11          1HG       ARG  11  -3.103   8.657   2.818
   92   1HD   ARG  11          2HD       ARG  11  -5.906   7.684   3.485
   93   2HD   ARG  11          1HD       ARG  11  -4.820   8.483   4.616
   94    HE   ARG  11           HE       ARG  11  -5.873   9.796   2.136
   95   1HH1  ARG  11          1HH2      ARG  11  -6.754   9.967   5.178
   96   2HH1  ARG  11          2HH2      ARG  11  -6.197  11.568   5.534
   97   1HH2  ARG  11          1HH1      ARG  11  -4.266  11.731   2.600
   98   2HH2  ARG  11          2HH1      ARG  11  -4.732  12.601   4.026
   99    H    SER  12           H        SER  12  -2.367   7.927  -1.657
  100    HA   SER  12           HA       SER  12  -0.214   9.699  -0.582
  101   1HB   SER  12          2HB       SER  12   0.011   7.874  -3.030
  102   2HB   SER  12          1HB       SER  12   1.254   8.984  -2.481
  103    HG   SER  12           HG       SER  12   1.818   7.499  -1.118
  104    H    ALA  13           H        ALA  13   0.389  11.402  -2.158
  105    HA   ALA  13           HA       ALA  13  -1.870  12.145  -3.998
  106   1HB   ALA  13          1HB       ALA  13  -1.456  14.507  -3.318
  107   2HB   ALA  13          2HB       ALA  13  -0.200  13.963  -2.216
  108   3HB   ALA  13          3HB       ALA  13  -1.874  13.520  -1.928
  109    H    ASP  14           H        ASP  14   0.456  10.703  -4.772
  110    HA   ASP  14           HA       ASP  14   1.570  12.605  -6.772
  111   1HB   ASP  14          1HB       ASP  14   3.151  12.521  -4.856
  112   2HB   ASP  14          2HB       ASP  14   3.261  10.768  -5.010
  113    H    SER  15           H        SER  15   2.100   9.324  -5.768
  114    HA   SER  15           HA       SER  15   1.056   7.383  -6.924
  115   1HB   SER  15          2HB       SER  15   0.485   8.515  -9.115
  116   2HB   SER  15          1HB       SER  15   2.213   8.690  -9.480
  117    HG   SER  15           HG       SER  15   2.177   6.691 -10.067
  118    H    SER  16           H        SER  16   4.030   8.883  -8.243
  119    HA   SER  16           HA       SER  16   5.717   6.773  -8.529
  120   1HB   SER  16          2HB       SER  16   7.597   8.331  -7.794
  121   2HB   SER  16          1HB       SER  16   6.436   9.122  -8.870
  122    HG   SER  16           HG       SER  16   5.995  10.400  -7.307
  123    H    ASN  17           H        ASN  17   5.230   8.342  -5.399
  124    HA   ASN  17           HA       ASN  17   6.816   6.527  -3.870
  125   1HB   ASN  17          1HB       ASN  17   6.086   8.811  -3.087
  126   2HB   ASN  17          2HB       ASN  17   4.441   8.212  -2.926
  127   1HD2  ASN  17          2HD2      ASN  17   7.405   6.369  -2.063
  128   2HD2  ASN  17          1HD2      ASN  17   7.061   6.299  -0.404
  129    H    LEU  18           H        LEU  18   3.319   6.635  -4.516
  130    HA   LEU  18           HA       LEU  18   2.542   4.447  -2.913
  131   1HB   LEU  18          1HB       LEU  18   0.982   6.068  -4.158
  132   2HB   LEU  18          2HB       LEU  18   1.368   5.208  -5.645
  133    HG   LEU  18           HG       LEU  18   0.421   3.112  -4.695
  134   1HD1  LEU  18          1HD1      LEU  18  -0.870   3.214  -2.555
  135   2HD1  LEU  18          2HD1      LEU  18  -0.369   4.877  -2.320
  136   3HD1  LEU  18          3HD1      LEU  18   0.812   3.578  -2.264
  137   1HD2  LEU  18          1HD2      LEU  18  -1.042   4.647  -6.003
  138   2HD2  LEU  18          2HD2      LEU  18  -1.477   5.498  -4.529
  139   3HD2  LEU  18          3HD2      LEU  18  -1.960   3.826  -4.756
  140    H    LYS  19           H        LYS  19   3.812   4.530  -6.166
  141    HA   LYS  19           HA       LYS  19   3.561   1.731  -6.747
  142   1HB   LYS  19          1HB       LYS  19   5.891   3.551  -7.637
  143   2HB   LYS  19          2HB       LYS  19   5.349   2.107  -8.452
  144   1HG   LYS  19          2HG       LYS  19   3.512   4.516  -8.196
  145   2HG   LYS  19          1HG       LYS  19   4.706   4.436  -9.455
  146   1HD   LYS  19          2HD       LYS  19   2.710   3.656 -10.467
  147   2HD   LYS  19          1HD       LYS  19   3.637   2.206 -10.162
  148   1HE   LYS  19          2HE       LYS  19   1.274   1.907  -9.592
  149   2HE   LYS  19          1HE       LYS  19   2.250   1.717  -8.161
  150   1HZ   LYS  19          1HZ       LYS  19   1.462   4.444  -8.513
  151   2HZ   LYS  19          2HZ       LYS  19   1.172   3.389  -7.209
  152   3HZ   LYS  19          3HZ       LYS  19   0.127   3.414  -8.546
  153    H    THR  20           H        THR  20   6.319   3.548  -5.435
  154    HA   THR  20           HA       THR  20   8.046   1.445  -4.799
  155    HB   THR  20           HB       THR  20   7.510   3.847  -2.912
  156    HG1  THR  20           HG1      THR  20   8.288   3.661  -5.496
  157   1HG2  THR  20          1HG2      THR  20   9.934   3.642  -2.489
  158   2HG2  THR  20          2HG2      THR  20  10.077   2.351  -3.674
  159   3HG2  THR  20          3HG2      THR  20   9.222   2.075  -2.165
  160    H    HIS  21           H        HIS  21   5.525   2.776  -2.721
  161    HA   HIS  21           HA       HIS  21   5.510   1.092  -0.537
  162   1HB   HIS  21          1HB       HIS  21   3.944   2.864  -0.486
  163   2HB   HIS  21          2HB       HIS  21   3.244   2.467  -2.032
  164    HD1  HIS  21           HD1      HIS  21   3.345   1.028   1.428
  165    HD2  HIS  21           HD2      HIS  21   1.064   0.807  -1.958
  166    HE1  HIS  21           HE1      HIS  21   1.359  -0.331   1.996
  167    H    ILE  22           H        ILE  22   3.618   0.529  -3.523
  168    HA   ILE  22           HA       ILE  22   2.716  -2.039  -2.891
  169    HB   ILE  22           HB       ILE  22   3.442  -0.868  -5.628
  170   1HG1  ILE  22          2HG1      ILE  22   0.720  -1.261  -4.295
  171   2HG1  ILE  22          1HG1      ILE  22   1.610   0.227  -4.119
  172   1HG2  ILE  22          1HG2      ILE  22   1.775  -3.349  -4.971
  173   2HG2  ILE  22          2HG2      ILE  22   3.351  -3.370  -5.745
  174   3HG2  ILE  22          3HG2      ILE  22   1.983  -2.674  -6.580
  175   1HD1  ILE  22          1HD1      ILE  22  -0.024   0.429  -5.946
  176   2HD1  ILE  22          2HD1      ILE  22   0.649  -0.974  -6.760
  177   3HD1  ILE  22          3HD1      ILE  22   1.603   0.495  -6.605
  178    H    LYS  23           H        LYS  23   5.780  -1.099  -4.385
  179    HA   LYS  23           HA       LYS  23   6.636  -3.917  -4.378
  180   1HB   LYS  23          1HB       LYS  23   7.902  -1.388  -5.460
  181   2HB   LYS  23          2HB       LYS  23   8.699  -2.940  -5.577
  182   1HG   LYS  23          2HG       LYS  23   6.052  -2.088  -6.832
  183   2HG   LYS  23          1HG       LYS  23   7.495  -2.625  -7.658
  184   1HD   LYS  23          2HD       LYS  23   5.600  -4.388  -6.002
  185   2HD   LYS  23          1HD       LYS  23   5.824  -4.407  -7.723
  186   1HE   LYS  23          2HE       LYS  23   7.882  -5.489  -7.652
  187   2HE   LYS  23          1HE       LYS  23   8.270  -4.951  -6.030
  188   1HZ   LYS  23          1HZ       LYS  23   7.097  -7.337  -6.811
  189   2HZ   LYS  23          2HZ       LYS  23   5.946  -6.493  -5.885
  190   3HZ   LYS  23          3HZ       LYS  23   7.500  -6.785  -5.255
  191    H    THR  24           H        THR  24   6.512  -2.210  -1.846
  192    HA   THR  24           HA       THR  24   9.179  -3.068  -0.757
  193    HB   THR  24           HB       THR  24   8.800  -1.201   1.001
  194    HG1  THR  24           HG1      THR  24   6.525  -1.114  -0.360
  195   1HG2  THR  24          1HG2      THR  24   9.491   0.665  -0.471
  196   2HG2  THR  24          2HG2      THR  24   9.028  -0.249  -1.897
  197   3HG2  THR  24          3HG2      THR  24  10.364  -0.792  -0.909
  198    H    LYS  25           H        LYS  25   5.740  -2.632  -0.293
  199    HA   LYS  25           HA       LYS  25   5.698  -4.447   2.063
  200   1HB   LYS  25          1HB       LYS  25   3.561  -2.594   0.941
  201   2HB   LYS  25          2HB       LYS  25   3.392  -3.566   2.399
  202   1HG   LYS  25          2HG       LYS  25   5.465  -1.375   2.056
  203   2HG   LYS  25          1HG       LYS  25   3.894  -1.110   2.752
  204   1HD   LYS  25          2HD       LYS  25   5.160  -1.410   4.683
  205   2HD   LYS  25          1HD       LYS  25   4.530  -3.019   4.437
  206   1HE   LYS  25          2HE       LYS  25   6.960  -2.951   5.041
  207   2HE   LYS  25          1HE       LYS  25   6.694  -3.808   3.551
  208   1HZ   LYS  25          1HZ       LYS  25   7.055  -1.059   3.018
  209   2HZ   LYS  25          2HZ       LYS  25   7.992  -2.377   2.517
  210   3HZ   LYS  25          3HZ       LYS  25   8.318  -1.624   4.003
  211    H    HIS  26           H        HIS  26   4.181  -3.945  -1.118
  212    HA   HIS  26           HA       HIS  26   3.026  -6.707  -0.864
  213   1HB   HIS  26          1HB       HIS  26   2.462  -4.650  -3.076
  214   2HB   HIS  26          2HB       HIS  26   1.580  -6.120  -2.742
  215    HD1  HIS  26           HD1      HIS  26   0.819  -5.889   0.115
  216    HD2  HIS  26           HD2      HIS  26   0.955  -2.566  -2.253
  217    HE1  HIS  26           HE1      HIS  26  -0.624  -4.171   1.212
  218    H    SER  27           H        SER  27   5.714  -6.487  -1.034
  219    HA   SER  27           HA       SER  27   6.387  -7.637  -3.708
  220   1HB   SER  27          2HB       SER  27   7.421  -5.408  -3.436
  221   2HB   SER  27          1HB       SER  27   8.189  -5.900  -1.929
  222    HG   SER  27           HG       SER  27   8.628  -7.733  -3.861
  223    H    LYS  28           H        LYS  28   5.451  -9.342  -2.093
  224    HA   LYS  28           HA       LYS  28   7.754 -10.684  -0.738
  225   1HB   LYS  28          1HB       LYS  28   5.964 -11.640   0.824
  226   2HB   LYS  28          2HB       LYS  28   6.289  -9.928   0.996
  227   1HG   LYS  28          2HG       LYS  28   4.297  -9.331  -0.269
  228   2HG   LYS  28          1HG       LYS  28   3.979 -11.011  -0.671
  229   1HD   LYS  28          2HD       LYS  28   3.661 -11.543   1.732
  230   2HD   LYS  28          1HD       LYS  28   4.033  -9.883   2.169
  231   1HE   LYS  28          2HE       LYS  28   1.731 -10.690   0.342
  232   2HE   LYS  28          1HE       LYS  28   1.560 -10.359   2.061
  233   1HZ   LYS  28          1HZ       LYS  28   1.369  -8.244   1.590
  234   2HZ   LYS  28          2HZ       LYS  28   1.582  -8.547  -0.063
  235   3HZ   LYS  28          3HZ       LYS  28   2.922  -8.198   0.919
  236    H    GLU  29           H        GLU  29   7.755 -11.283  -3.117
  237    HA   GLU  29           HA       GLU  29   6.337 -13.889  -3.491
  238   1HB   GLU  29          1HB       GLU  29   6.600 -13.453  -5.976
  239   2HB   GLU  29          2HB       GLU  29   5.479 -12.382  -5.178
  240   1HG   GLU  29          2HG       GLU  29   8.383 -11.643  -5.787
  241   2HG   GLU  29          1HG       GLU  29   7.048 -11.257  -6.847
  242    H    LYS  30           H        LYS  30   9.273 -12.044  -3.833
  243    HA   LYS  30           HA       LYS  30  10.823 -14.566  -4.276
  244   1HB   LYS  30          1HB       LYS  30  10.903 -12.846  -6.145
  245   2HB   LYS  30          2HB       LYS  30  11.595 -11.707  -5.008
  246   1HG   LYS  30          2HG       LYS  30  13.432 -12.665  -6.242
  247   2HG   LYS  30          1HG       LYS  30  13.509 -13.343  -4.627
  248   1HD   LYS  30          2HD       LYS  30  12.353 -15.414  -5.442
  249   2HD   LYS  30          1HD       LYS  30  12.246 -14.720  -7.046
  250   1HE   LYS  30          2HE       LYS  30  14.761 -14.589  -7.101
  251   2HE   LYS  30          1HE       LYS  30  14.799 -15.386  -5.529
  252   1HZ   LYS  30          1HZ       LYS  30  13.150 -16.870  -7.216
  253   2HZ   LYS  30          2HZ       LYS  30  14.639 -17.308  -6.533
  254   3HZ   LYS  30          3HZ       LYS  30  14.591 -16.543  -8.048
  Start of MODEL   31
    1   1H    LYS   1          1H        LYS   1  -9.142  12.879  -6.367
    2   2H    LYS   1          2H        LYS   1  -7.675  12.123  -6.768
    3   3H    LYS   1          3H        LYS   1  -8.219  13.454  -7.670
    4    HA   LYS   1           HA       LYS   1  -7.129  14.821  -6.367
    5   1HB   LYS   1          2HB       LYS   1  -8.796  13.511  -4.173
    6   2HB   LYS   1          1HB       LYS   1  -7.791  14.927  -3.912
    7   1HG   LYS   1          2HG       LYS   1  -9.070  16.146  -5.686
    8   2HG   LYS   1          1HG       LYS   1 -10.065  14.730  -5.957
    9   1HD   LYS   1          2HD       LYS   1 -11.278  16.295  -4.543
   10   2HD   LYS   1          1HD       LYS   1 -10.899  14.864  -3.607
   11   1HE   LYS   1          2HE       LYS   1  -8.976  16.055  -2.553
   12   2HE   LYS   1          1HE       LYS   1  -9.304  17.471  -3.545
   13   1HZ   LYS   1          1HZ       LYS   1 -11.669  16.724  -2.260
   14   2HZ   LYS   1          2HZ       LYS   1 -10.741  18.131  -2.046
   15   3HZ   LYS   1          3HZ       LYS   1 -10.426  16.754  -1.102
   16    H    THR   2           H        THR   2  -7.342  11.847  -4.417
   17    HA   THR   2           HA       THR   2  -4.363  11.936  -4.070
   18    HB   THR   2           HB       THR   2  -4.805  10.453  -2.020
   19    HG1  THR   2           HG1      THR   2  -6.718   9.645  -1.998
   20   1HG2  THR   2          1HG2      THR   2  -4.720  12.978  -1.712
   21   2HG2  THR   2          2HG2      THR   2  -5.805  12.179  -0.587
   22   3HG2  THR   2          3HG2      THR   2  -6.455  13.027  -1.978
   23    H    TYR   3           H        TYR   3  -3.582   9.708  -3.528
   24    HA   TYR   3           HA       TYR   3  -4.469   7.800  -5.650
   25   1HB   TYR   3          1HB       TYR   3  -1.790   8.255  -4.296
   26   2HB   TYR   3          2HB       TYR   3  -2.095   6.878  -5.344
   27    HD1  TYR   3           HD1      TYR   3  -2.385  10.652  -5.417
   28    HD2  TYR   3           HD2      TYR   3  -1.468   7.080  -7.557
   29    HE1  TYR   3           HE1      TYR   3  -1.750  11.971  -7.369
   30    HE2  TYR   3           HE2      TYR   3  -0.835   8.408  -9.496
   31    HH   TYR   3           HH       TYR   3  -0.546  10.434 -10.339
   32    H    GLN   4           H        GLN   4  -5.173   5.901  -4.972
   33    HA   GLN   4           HA       GLN   4  -4.945   5.170  -2.077
   34   1HB   GLN   4          1HB       GLN   4  -7.127   4.611  -4.150
   35   2HB   GLN   4          2HB       GLN   4  -7.064   3.765  -2.619
   36   1HG   GLN   4          2HG       GLN   4  -7.182   6.806  -2.836
   37   2HG   GLN   4          1HG       GLN   4  -8.621   5.809  -2.721
   38   1HE2  GLN   4          2HE2      GLN   4  -6.217   4.314  -0.807
   39   2HE2  GLN   4          1HE2      GLN   4  -6.635   5.027   0.672
   40    H    CYS   5           H        CYS   5  -4.125   3.011  -1.727
   41    HA   CYS   5           HA       CYS   5  -2.542   1.990  -3.880
   42   1HB   CYS   5          1HB       CYS   5  -2.087   1.586  -1.501
   43   2HB   CYS   5          2HB       CYS   5  -3.508   0.554  -1.407
   44    H    GLN   6           H        GLN   6  -2.624  -0.089  -4.806
   45    HA   GLN   6           HA       GLN   6  -5.392  -0.873  -5.652
   46   1HB   GLN   6          1HB       GLN   6  -2.707  -1.216  -7.063
   47   2HB   GLN   6          2HB       GLN   6  -4.266  -1.658  -7.735
   48   1HG   GLN   6          2HG       GLN   6  -5.003   0.685  -7.725
   49   2HG   GLN   6          1HG       GLN   6  -3.542   1.190  -6.879
   50   1HE2  GLN   6          1HE2      GLN   6  -2.080   2.127  -8.266
   51   2HE2  GLN   6          2HE2      GLN   6  -1.841   1.688  -9.888
   52    H    TYR   7           H        TYR   7  -3.684  -1.725  -3.335
   53    HA   TYR   7           HA       TYR   7  -4.072  -4.657  -3.610
   54   1HB   TYR   7          1HB       TYR   7  -1.551  -3.223  -2.637
   55   2HB   TYR   7          2HB       TYR   7  -1.821  -4.937  -2.387
   56    HD1  TYR   7           HD1      TYR   7  -2.530  -6.281  -4.565
   57    HD2  TYR   7           HD2      TYR   7  -0.514  -2.533  -4.663
   58    HE1  TYR   7           HE1      TYR   7  -1.808  -6.727  -6.861
   59    HE2  TYR   7           HE2      TYR   7   0.205  -2.989  -6.957
   60    HH   TYR   7           HH       TYR   7  -0.889  -5.839  -8.713
   61    H    CYS   8           H        CYS   8  -3.166  -2.037  -1.479
   62    HA   CYS   8           HA       CYS   8  -4.981  -3.090   0.670
   63   1HB   CYS   8          1HB       CYS   8  -3.452  -2.207   2.307
   64   2HB   CYS   8          2HB       CYS   8  -2.423  -2.902   1.086
   65    H    GLU   9           H        GLU   9  -4.848  -0.650   2.095
   66    HA   GLU   9           HA       GLU   9  -6.214   1.243   0.203
   67   1HB   GLU   9          1HB       GLU   9  -7.744  -0.129   1.801
   68   2HB   GLU   9          2HB       GLU   9  -7.055   0.819   3.109
   69   1HG   GLU   9          2HG       GLU   9  -9.164   1.855   2.343
   70   2HG   GLU   9          1HG       GLU   9  -7.822   2.923   1.972
   71    H1   HAC  10           H1       HAC  10  -0.875   4.657   2.197
   72   1H2   HAC  10          1H2       HAC  10   0.033   4.641  -0.152
   73   2H2   HAC  10          2H2       HAC  10   1.052   3.288   0.290
   74   1H3   HAC  10          1H3       HAC  10   1.130   6.073   1.540
   75   2H3   HAC  10          2H3       HAC  10   2.320   5.399   0.444
   76   1H4   HAC  10          1H4       HAC  10   2.943   3.690   2.078
   77   2H4   HAC  10          2H4       HAC  10   3.026   5.266   2.850
   78   1H5   HAC  10          1H5       HAC  10   1.911   3.580   4.312
   79   2H5   HAC  10          2H5       HAC  10   0.843   4.918   3.931
   80   1H6   HAC  10          1H6       HAC  10   0.862   2.204   2.554
   81   2H6   HAC  10          2H6       HAC  10  -0.359   2.763   3.686
   82   1H7   HAC  10          1H7       HAC  10  -1.474   2.859   0.094
   83   2H7   HAC  10          2H7       HAC  10  -1.410   1.819   1.473
   84    H8   HAC  10           H8       HAC  10  -2.986   3.430   2.671
   85   1HN8  HAC  10          1HN8      HAC  10  -3.724   1.670   0.406
   86    H    ARG  11           H        ARG  11  -2.314   5.644   2.291
   87    HA   ARG  11           HA       ARG  11  -3.682   6.944  -0.019
   88   1HB   ARG  11          1HB       ARG  11  -4.647   7.334   2.337
   89   2HB   ARG  11          2HB       ARG  11  -3.171   8.180   2.716
   90   1HG   ARG  11          2HG       ARG  11  -4.551   9.954   2.021
   91   2HG   ARG  11          1HG       ARG  11  -3.687   9.594   0.541
   92   1HD   ARG  11          2HD       ARG  11  -6.078   9.795   0.028
   93   2HD   ARG  11          1HD       ARG  11  -5.629   8.102  -0.158
   94    HE   ARG  11           HE       ARG  11  -6.588   7.701   2.109
   95   1HH1  ARG  11          2HH1      ARG  11  -6.741  10.460   3.119
   96   2HH1  ARG  11          1HH1      ARG  11  -8.406  10.875   2.877
   97   1HH2  ARG  11          2HH2      ARG  11  -8.875   8.235   0.630
   98   2HH2  ARG  11          1HH2      ARG  11  -9.691   9.566   1.399
   99    H    SER  12           H        SER  12  -2.455   8.013  -1.316
  100    HA   SER  12           HA       SER  12   0.138   9.217  -0.439
  101   1HB   SER  12          2HB       SER  12  -0.243   7.725  -3.104
  102   2HB   SER  12          1HB       SER  12   1.217   8.485  -2.528
  103    HG   SER  12           HG       SER  12   1.607   6.808  -1.455
  104    H    ALA  13           H        ALA  13   0.851  10.792  -2.183
  105    HA   ALA  13           HA       ALA  13  -1.529  12.274  -3.243
  106   1HB   ALA  13          1HB       ALA  13  -0.335  13.458  -1.415
  107   2HB   ALA  13          2HB       ALA  13  -0.170  14.321  -2.934
  108   3HB   ALA  13          3HB       ALA  13   1.164  13.355  -2.325
  109    H    ASP  14           H        ASP  14   1.326  10.652  -4.013
  110    HA   ASP  14           HA       ASP  14   1.214  11.669  -6.820
  111   1HB   ASP  14          1HB       ASP  14   3.090  12.753  -5.757
  112   2HB   ASP  14          2HB       ASP  14   3.626  11.252  -5.017
  113    H    SER  15           H        SER  15   2.399  10.233  -8.329
  114    HA   SER  15           HA       SER  15   1.384   7.498  -8.051
  115   1HB   SER  15          2HB       SER  15   1.243   8.749 -10.250
  116   2HB   SER  15          1HB       SER  15   3.009   8.769 -10.321
  117    HG   SER  15           HG       SER  15   1.313   6.768 -10.889
  118    H    SER  16           H        SER  16   4.594   8.810  -8.918
  119    HA   SER  16           HA       SER  16   6.255   6.656  -8.701
  120   1HB   SER  16          2HB       SER  16   6.909   9.287  -7.247
  121   2HB   SER  16          1HB       SER  16   8.049   8.148  -7.970
  122    HG   SER  16           HG       SER  16   6.619  10.094  -9.140
  123    H    ASN  17           H        ASN  17   5.157   8.578  -6.036
  124    HA   ASN  17           HA       ASN  17   6.243   7.193  -3.853
  125   1HB   ASN  17          1HB       ASN  17   5.132   9.405  -3.663
  126   2HB   ASN  17          2HB       ASN  17   3.577   8.677  -4.016
  127   1HD2  ASN  17          2HD2      ASN  17   5.802   9.406  -1.490
  128   2HD2  ASN  17          1HD2      ASN  17   5.001   8.580  -0.244
  129    H    LEU  18           H        LEU  18   2.861   6.742  -5.065
  130    HA   LEU  18           HA       LEU  18   2.308   4.553  -3.388
  131   1HB   LEU  18          1HB       LEU  18   0.603   5.828  -4.793
  132   2HB   LEU  18          2HB       LEU  18   1.226   5.013  -6.223
  133    HG   LEU  18           HG       LEU  18   0.580   2.782  -5.168
  134   1HD1  LEU  18          1HD1      LEU  18  -0.724   4.562  -3.042
  135   2HD1  LEU  18          2HD1      LEU  18   0.667   3.533  -2.761
  136   3HD1  LEU  18          3HD1      LEU  18  -0.868   2.817  -3.148
  137   1HD2  LEU  18          1HD2      LEU  18  -0.952   3.957  -6.734
  138   2HD2  LEU  18          2HD2      LEU  18  -1.681   4.803  -5.384
  139   3HD2  LEU  18          3HD2      LEU  18  -1.845   3.065  -5.522
  140    H    LYS  19           H        LYS  19   3.839   4.639  -6.516
  141    HA   LYS  19           HA       LYS  19   3.924   1.793  -6.945
  142   1HB   LYS  19          1HB       LYS  19   6.038   3.878  -7.798
  143   2HB   LYS  19          2HB       LYS  19   5.859   2.293  -8.512
  144   1HG   LYS  19          2HG       LYS  19   3.694   4.430  -8.563
  145   2HG   LYS  19          1HG       LYS  19   4.861   4.200  -9.841
  146   1HD   LYS  19          2HD       LYS  19   4.009   1.934 -10.282
  147   2HD   LYS  19          1HD       LYS  19   2.927   2.018  -8.901
  148   1HE   LYS  19          2HE       LYS  19   2.804   3.920 -11.278
  149   2HE   LYS  19          1HE       LYS  19   1.751   2.530 -11.051
  150   1HZ   LYS  19          1HZ       LYS  19   0.467   3.794  -9.791
  151   2HZ   LYS  19          2HZ       LYS  19   1.570   5.090  -9.948
  152   3HZ   LYS  19          3HZ       LYS  19   1.741   3.981  -8.684
  153    H    THR  20           H        THR  20   6.405   3.939  -5.634
  154    HA   THR  20           HA       THR  20   8.321   2.143  -4.763
  155    HB   THR  20           HB       THR  20   7.347   4.606  -3.168
  156    HG1  THR  20           HG1      THR  20   8.334   4.295  -5.628
  157   1HG2  THR  20          1HG2      THR  20   9.721   4.717  -2.472
  158   2HG2  THR  20          2HG2      THR  20  10.121   3.324  -3.467
  159   3HG2  THR  20          3HG2      THR  20   9.124   3.124  -2.035
  160    H    HIS  21           H        HIS  21   5.463   3.240  -3.039
  161    HA   HIS  21           HA       HIS  21   5.601   1.704  -0.712
  162   1HB   HIS  21          1HB       HIS  21   3.893   3.342  -0.754
  163   2HB   HIS  21          2HB       HIS  21   3.290   2.858  -2.319
  164    HD1  HIS  21           HD1      HIS  21   3.326   1.526   1.190
  165    HD2  HIS  21           HD2      HIS  21   1.194   1.072  -2.267
  166    HE1  HIS  21           HE1      HIS  21   1.394   0.080   1.737
  167    H    ILE  22           H        ILE  22   3.684   0.807  -3.616
  168    HA   ILE  22           HA       ILE  22   2.965  -1.786  -2.873
  169    HB   ILE  22           HB       ILE  22   3.665  -0.691  -5.649
  170   1HG1  ILE  22          2HG1      ILE  22   0.953  -1.032  -4.265
  171   2HG1  ILE  22          1HG1      ILE  22   1.838   0.455  -4.198
  172   1HG2  ILE  22          1HG2      ILE  22   2.244  -2.553  -6.504
  173   2HG2  ILE  22          2HG2      ILE  22   2.021  -3.154  -4.868
  174   3HG2  ILE  22          3HG2      ILE  22   3.606  -3.206  -5.627
  175   1HD1  ILE  22          1HD1      ILE  22   0.146   0.525  -5.997
  176   2HD1  ILE  22          2HD1      ILE  22   0.858  -0.876  -6.770
  177   3HD1  ILE  22          3HD1      ILE  22   1.752   0.634  -6.697
  178    H    LYS  23           H        LYS  23   5.746  -0.948  -4.847
  179    HA   LYS  23           HA       LYS  23   7.008  -3.306  -5.273
  180   1HB   LYS  23          1HB       LYS  23   7.786  -1.034  -5.996
  181   2HB   LYS  23          2HB       LYS  23   8.409  -0.766  -4.380
  182   1HG   LYS  23          2HG       LYS  23   9.851  -2.822  -4.657
  183   2HG   LYS  23          1HG       LYS  23   9.269  -2.975  -6.299
  184   1HD   LYS  23          2HD       LYS  23  11.438  -1.885  -6.365
  185   2HD   LYS  23          1HD       LYS  23  10.239  -0.685  -6.801
  186   1HE   LYS  23          2HE       LYS  23  11.872   0.240  -5.176
  187   2HE   LYS  23          1HE       LYS  23  10.288   0.201  -4.429
  188   1HZ   LYS  23          1HZ       LYS  23  11.650  -2.249  -4.055
  189   2HZ   LYS  23          2HZ       LYS  23  11.039  -1.176  -2.891
  190   3HZ   LYS  23          3HZ       LYS  23  12.612  -0.965  -3.514
  191    H    THR  24           H        THR  24   7.190  -1.549  -2.241
  192    HA   THR  24           HA       THR  24   8.859  -3.652  -0.992
  193    HB   THR  24           HB       THR  24   8.091  -0.944   0.185
  194    HG1  THR  24           HG1      THR  24   9.053  -0.496  -1.664
  195   1HG2  THR  24          1HG2      THR  24  10.589  -2.711   0.451
  196   2HG2  THR  24          2HG2      THR  24   9.319  -2.700   1.669
  197   3HG2  THR  24          3HG2      THR  24  10.249  -1.247   1.358
  198    H    LYS  25           H        LYS  25   5.733  -2.119  -0.342
  199    HA   LYS  25           HA       LYS  25   5.262  -3.726   2.038
  200   1HB   LYS  25          1HB       LYS  25   3.810  -1.520   0.577
  201   2HB   LYS  25          2HB       LYS  25   2.926  -2.458   1.769
  202   1HG   LYS  25          2HG       LYS  25   5.639  -1.280   2.445
  203   2HG   LYS  25          1HG       LYS  25   4.185  -0.302   2.564
  204   1HD   LYS  25          2HD       LYS  25   3.174  -1.851   4.153
  205   2HD   LYS  25          1HD       LYS  25   4.454  -3.026   3.930
  206   1HE   LYS  25          2HE       LYS  25   4.941  -0.230   5.034
  207   2HE   LYS  25          1HE       LYS  25   4.669  -1.643   6.044
  208   1HZ   LYS  25          1HZ       LYS  25   7.038  -0.797   4.844
  209   2HZ   LYS  25          2HZ       LYS  25   6.615  -2.289   4.148
  210   3HZ   LYS  25          3HZ       LYS  25   6.778  -2.155   5.833
  211    H    HIS  26           H        HIS  26   4.552  -4.198  -1.284
  212    HA   HIS  26           HA       HIS  26   2.668  -6.394  -0.565
  213   1HB   HIS  26          1HB       HIS  26   2.668  -4.548  -2.996
  214   2HB   HIS  26          2HB       HIS  26   1.581  -5.898  -2.817
  215    HD1  HIS  26           HD1      HIS  26   0.748  -5.614   0.066
  216    HD2  HIS  26           HD2      HIS  26   1.089  -2.338  -2.362
  217    HE1  HIS  26           HE1      HIS  26  -0.644  -3.827   1.090
  218    H    SER  27           H        SER  27   5.177  -5.278  -2.642
  219    HA   SER  27           HA       SER  27   5.733  -8.090  -3.542
  220   1HB   SER  27          2HB       SER  27   6.433  -5.389  -4.787
  221   2HB   SER  27          1HB       SER  27   6.988  -6.940  -5.439
  222    HG   SER  27           HG       SER  27   4.400  -7.143  -4.864
  223    H    LYS  28           H        LYS  28   6.410  -7.476  -1.073
  224    HA   LYS  28           HA       LYS  28   8.384  -6.570   0.204
  225   1HB   LYS  28          1HB       LYS  28   8.133  -9.554  -0.250
  226   2HB   LYS  28          2HB       LYS  28   9.116  -8.875   1.029
  227   1HG   LYS  28          2HG       LYS  28   6.150  -8.242   0.719
  228   2HG   LYS  28          1HG       LYS  28   6.742  -9.560   1.702
  229   1HD   LYS  28          2HD       LYS  28   8.056  -7.972   3.084
  230   2HD   LYS  28          1HD       LYS  28   7.514  -6.627   2.102
  231   1HE   LYS  28          2HE       LYS  28   5.645  -8.454   3.666
  232   2HE   LYS  28          1HE       LYS  28   6.170  -6.865   4.201
  233   1HZ   LYS  28          1HZ       LYS  28   4.578  -5.966   3.026
  234   2HZ   LYS  28          2HZ       LYS  28   4.067  -7.494   2.497
  235   3HZ   LYS  28          3HZ       LYS  28   5.213  -6.619   1.595
  236    H    GLU  29           H        GLU  29  10.290  -5.876   0.105
  237    HA   GLU  29           HA       GLU  29  12.283  -7.021  -1.821
  238   1HB   GLU  29          1HB       GLU  29  12.384  -4.169  -0.686
  239   2HB   GLU  29          2HB       GLU  29  13.283  -4.845  -2.008
  240   1HG   GLU  29          2HG       GLU  29  10.273  -4.667  -2.094
  241   2HG   GLU  29          1HG       GLU  29  11.290  -3.339  -2.591
  242    H    LYS  30           H        LYS  30  13.641  -6.329   1.989
  243    HA   LYS  30           HA       LYS  30  11.331  -4.779   0.877
  244   1HB   LYS  30          1HB       LYS  30  10.472  -4.821   3.250
  245   2HB   LYS  30          2HB       LYS  30  10.418  -6.345   2.401
  246   1HG   LYS  30          2HG       LYS  30  11.185  -6.719   4.686
  247   2HG   LYS  30          1HG       LYS  30  12.485  -7.094   3.576
  248   1HD   LYS  30          2HD       LYS  30  13.592  -4.958   4.068
  249   2HD   LYS  30          1HD       LYS  30  12.225  -4.428   5.039
  250   1HE   LYS  30          2HE       LYS  30  12.684  -6.331   6.610
  251   2HE   LYS  30          1HE       LYS  30  14.060  -6.799   5.619
  252   1HZ   LYS  30          1HZ       LYS  30  15.282  -5.335   6.677
  253   2HZ   LYS  30          2HZ       LYS  30  13.954  -4.883   7.634
  254   3HZ   LYS  30          3HZ       LYS  30  14.267  -4.071   6.178
  Start of MODEL   32
    1   1H    LYS   1          1H        LYS   1  -4.623  16.009  -5.549
    2   2H    LYS   1          2H        LYS   1  -6.020  15.107  -5.870
    3   3H    LYS   1          3H        LYS   1  -4.517  14.610  -6.504
    4    HA   LYS   1           HA       LYS   1  -4.230  13.322  -4.809
    5   1HB   LYS   1          2HB       LYS   1  -4.296  15.985  -3.304
    6   2HB   LYS   1          1HB       LYS   1  -3.832  14.485  -2.531
    7   1HG   LYS   1          2HG       LYS   1  -1.781  15.463  -3.164
    8   2HG   LYS   1          1HG       LYS   1  -2.050  14.242  -4.372
    9   1HD   LYS   1          2HD       LYS   1  -2.931  16.088  -5.939
   10   2HD   LYS   1          1HD       LYS   1  -2.539  17.254  -4.685
   11   1HE   LYS   1          2HE       LYS   1  -0.652  17.241  -6.113
   12   2HE   LYS   1          1HE       LYS   1  -0.134  16.176  -4.813
   13   1HZ   LYS   1          1HZ       LYS   1  -0.210  15.586  -7.470
   14   2HZ   LYS   1          2HZ       LYS   1  -1.546  14.751  -6.862
   15   3HZ   LYS   1          3HZ       LYS   1  -0.031  14.482  -6.182
   16    H    THR   2           H        THR   2  -7.045  12.537  -2.718
   17    HA   THR   2           HA       THR   2  -4.103  12.196  -3.084
   18    HB   THR   2           HB       THR   2  -4.689  12.034  -0.771
   19    HG1  THR   2           HG1      THR   2  -3.483  10.227  -1.673
   20   1HG2  THR   2          1HG2      THR   2  -7.211  11.664  -1.021
   21   2HG2  THR   2          2HG2      THR   2  -6.484  10.504   0.073
   22   3HG2  THR   2          3HG2      THR   2  -6.881  10.028  -1.570
   23    H    TYR   3           H        TYR   3  -3.519   9.870  -3.202
   24    HA   TYR   3           HA       TYR   3  -5.185   8.429  -5.260
   25   1HB   TYR   3          1HB       TYR   3  -2.127   8.383  -4.999
   26   2HB   TYR   3          2HB       TYR   3  -3.067   7.742  -6.332
   27    HD1  TYR   3           HD1      TYR   3  -1.628  10.742  -4.875
   28    HD2  TYR   3           HD2      TYR   3  -4.481   9.375  -7.726
   29    HE1  TYR   3           HE1      TYR   3  -1.715  12.972  -5.879
   30    HE2  TYR   3           HE2      TYR   3  -4.564  11.616  -8.713
   31    HH   TYR   3           HH       TYR   3  -2.316  13.934  -8.224
   32    H    GLN   4           H        GLN   4  -5.519   6.284  -4.896
   33    HA   GLN   4           HA       GLN   4  -4.606   5.234  -2.261
   34   1HB   GLN   4          1HB       GLN   4  -7.108   5.747  -2.880
   35   2HB   GLN   4          2HB       GLN   4  -7.023   4.263  -3.792
   36   1HG   GLN   4          2HG       GLN   4  -6.536   4.530  -0.805
   37   2HG   GLN   4          1HG       GLN   4  -8.002   3.931  -1.553
   38   1HE2  GLN   4          1HE2      GLN   4  -7.805   1.815  -2.783
   39   2HE2  GLN   4          2HE2      GLN   4  -6.595   0.731  -2.265
   40    H    CYS   5           H        CYS   5  -3.763   3.159  -2.094
   41    HA   CYS   5           HA       CYS   5  -2.242   2.056  -4.143
   42   1HB   CYS   5          1HB       CYS   5  -1.983   1.632  -1.744
   43   2HB   CYS   5          2HB       CYS   5  -3.464   0.681  -1.749
   44    H    GLN   6           H        GLN   6  -2.385  -0.265  -4.787
   45    HA   GLN   6           HA       GLN   6  -4.937  -0.746  -6.245
   46   1HB   GLN   6          1HB       GLN   6  -2.820  -0.539  -7.564
   47   2HB   GLN   6          2HB       GLN   6  -2.148  -1.898  -6.686
   48   1HG   GLN   6          2HG       GLN   6  -4.084  -3.326  -7.567
   49   2HG   GLN   6          1HG       GLN   6  -4.566  -1.950  -8.546
   50   1HE2  GLN   6          2HE2      GLN   6  -2.812  -4.771  -8.662
   51   2HE2  GLN   6          1HE2      GLN   6  -1.755  -4.387  -9.931
   52    H    TYR   7           H        TYR   7  -2.767  -2.121  -3.919
   53    HA   TYR   7           HA       TYR   7  -4.327  -4.656  -3.803
   54   1HB   TYR   7          1HB       TYR   7  -1.628  -3.965  -2.602
   55   2HB   TYR   7          2HB       TYR   7  -2.384  -5.548  -2.572
   56    HD1  TYR   7           HD1      TYR   7  -3.215  -6.399  -4.987
   57    HD2  TYR   7           HD2      TYR   7  -0.126  -3.531  -4.366
   58    HE1  TYR   7           HE1      TYR   7  -2.316  -6.880  -7.213
   59    HE2  TYR   7           HE2      TYR   7   0.763  -4.014  -6.595
   60    HH   TYR   7           HH       TYR   7  -0.772  -6.410  -8.717
   61    H    CYS   8           H        CYS   8  -3.129  -2.122  -1.628
   62    HA   CYS   8           HA       CYS   8  -5.021  -3.136   0.472
   63   1HB   CYS   8          1HB       CYS   8  -3.526  -2.351   2.125
   64   2HB   CYS   8          2HB       CYS   8  -2.489  -3.005   0.880
   65    H    GLU   9           H        GLU   9  -4.908  -0.907   2.076
   66    HA   GLU   9           HA       GLU   9  -6.470   1.105   0.510
   67   1HB   GLU   9          1HB       GLU   9  -7.706  -0.307   2.237
   68   2HB   GLU   9          2HB       GLU   9  -6.725   0.479   3.468
   69   1HG   GLU   9          2HG       GLU   9  -7.607   2.732   2.638
   70   2HG   GLU   9          1HG       GLU   9  -8.611   1.852   1.503
   71    H1   HAC  10           H1       HAC  10  -0.958   4.436   2.288
   72   1H2   HAC  10          1H2       HAC  10   0.073   4.556  -0.010
   73   2H2   HAC  10          2H2       HAC  10   1.020   3.142   0.372
   74   1H3   HAC  10          1H3       HAC  10   1.140   5.803   1.846
   75   2H3   HAC  10          2H3       HAC  10   2.338   5.205   0.710
   76   1H4   HAC  10          1H4       HAC  10   2.839   3.303   2.202
   77   2H4   HAC  10          2H4       HAC  10   3.019   4.800   3.093
   78   1H5   HAC  10          1H5       HAC  10   1.764   3.109   4.421
   79   2H5   HAC  10          2H5       HAC  10   0.778   4.525   4.111
   80   1H6   HAC  10          1H6       HAC  10   0.673   1.894   2.584
   81   2H6   HAC  10          2H6       HAC  10  -0.543   2.475   3.702
   82   1H7   HAC  10          1H7       HAC  10  -1.462   2.764   0.063
   83   2H7   HAC  10          2H7       HAC  10  -1.503   1.641   1.360
   84    H8   HAC  10           H8       HAC  10  -3.001   3.393   2.575
   85   1HN8  HAC  10          1HN8      HAC  10  -3.861   1.568   0.358
   86    H    ARG  11           H        ARG  11  -2.475   5.551   2.154
   87    HA   ARG  11           HA       ARG  11  -3.447   6.702  -0.430
   88   1HB   ARG  11          1HB       ARG  11  -3.639   7.810   2.388
   89   2HB   ARG  11          2HB       ARG  11  -3.835   8.819   0.980
   90   1HG   ARG  11          2HG       ARG  11  -6.042   8.197   1.739
   91   2HG   ARG  11          1HG       ARG  11  -5.742   7.394   0.216
   92   1HD   ARG  11          2HD       ARG  11  -6.854   5.955   1.977
   93   2HD   ARG  11          1HD       ARG  11  -5.398   5.239   1.331
   94    HE   ARG  11           HE       ARG  11  -4.231   6.118   3.404
   95   1HH1  ARG  11          2HH2      ARG  11  -5.924   3.897   4.202
   96   2HH1  ARG  11          1HH2      ARG  11  -6.879   4.535   5.501
   97   1HH2  ARG  11          1HH1      ARG  11  -6.168   7.855   4.607
   98   2HH2  ARG  11          2HH1      ARG  11  -7.009   6.847   5.739
   99    H    SER  12           H        SER  12  -2.091   7.798  -1.514
  100    HA   SER  12           HA       SER  12   0.453   8.855  -0.325
  101   1HB   SER  12          2HB       SER  12   0.042   7.461  -3.012
  102   2HB   SER  12          1HB       SER  12   1.519   8.307  -2.589
  103    HG   SER  12           HG       SER  12   2.041   6.752  -1.337
  104    H    ALA  13           H        ALA  13   1.448  10.468  -1.955
  105    HA   ALA  13           HA       ALA  13  -0.705  12.372  -2.778
  106   1HB   ALA  13          1HB       ALA  13   0.881  13.185  -1.047
  107   2HB   ALA  13          2HB       ALA  13   1.046  14.117  -2.524
  108   3HB   ALA  13          3HB       ALA  13   2.231  12.884  -2.127
  109    H    ASP  14           H        ASP  14   1.639  10.278  -4.039
  110    HA   ASP  14           HA       ASP  14   1.250  11.445  -6.754
  111   1HB   ASP  14          1HB       ASP  14   3.492  12.174  -5.631
  112   2HB   ASP  14          2HB       ASP  14   3.989  10.494  -5.791
  113    H    SER  15           H        SER  15   1.597   9.857  -8.444
  114    HA   SER  15           HA       SER  15   0.903   7.117  -7.544
  115   1HB   SER  15          2HB       SER  15   0.397   6.786 -10.013
  116   2HB   SER  15          1HB       SER  15  -0.453   8.193  -9.358
  117    HG   SER  15           HG       SER  15   1.434   8.108 -11.250
  118    H    SER  16           H        SER  16   3.532   8.427  -7.373
  119    HA   SER  16           HA       SER  16   5.301   6.419  -8.706
  120   1HB   SER  16          2HB       SER  16   5.948   9.315  -7.854
  121   2HB   SER  16          1HB       SER  16   7.068   8.196  -8.648
  122    HG   SER  16           HG       SER  16   6.158   8.713 -10.448
  123    H    ASN  17           H        ASN  17   4.428   8.417  -5.961
  124    HA   ASN  17           HA       ASN  17   6.287   7.207  -4.084
  125   1HB   ASN  17          1HB       ASN  17   5.302   9.444  -3.600
  126   2HB   ASN  17          2HB       ASN  17   3.675   8.782  -3.675
  127   1HD2  ASN  17          1HD2      ASN  17   6.416   9.281  -1.616
  128   2HD2  ASN  17          2HD2      ASN  17   5.810   8.462  -0.257
  129    H    LEU  18           H        LEU  18   2.826   6.900  -4.846
  130    HA   LEU  18           HA       LEU  18   2.206   4.735  -3.172
  131   1HB   LEU  18          1HB       LEU  18   0.618   6.197  -4.620
  132   2HB   LEU  18          2HB       LEU  18   1.137   5.232  -6.000
  133    HG   LEU  18           HG       LEU  18   0.237   3.170  -4.826
  134   1HD1  LEU  18          1HD1      LEU  18  -1.282   3.551  -2.882
  135   2HD1  LEU  18          2HD1      LEU  18  -0.899   5.259  -2.898
  136   3HD1  LEU  18          3HD1      LEU  18   0.330   4.082  -2.475
  137   1HD2  LEU  18          1HD2      LEU  18  -2.109   3.752  -5.342
  138   2HD2  LEU  18          2HD2      LEU  18  -1.039   4.428  -6.545
  139   3HD2  LEU  18          3HD2      LEU  18  -1.723   5.462  -5.301
  140    H    LYS  19           H        LYS  19   3.779   4.833  -6.276
  141    HA   LYS  19           HA       LYS  19   3.710   2.008  -6.802
  142   1HB   LYS  19          1HB       LYS  19   4.383   4.053  -8.380
  143   2HB   LYS  19          2HB       LYS  19   5.948   3.938  -7.627
  144   1HG   LYS  19          2HG       LYS  19   5.989   2.717  -9.726
  145   2HG   LYS  19          1HG       LYS  19   6.216   1.624  -8.383
  146   1HD   LYS  19          2HD       LYS  19   4.613   0.805 -10.203
  147   2HD   LYS  19          1HD       LYS  19   3.958   0.753  -8.585
  148   1HE   LYS  19          2HE       LYS  19   2.367   1.690 -10.328
  149   2HE   LYS  19          1HE       LYS  19   2.633   2.779  -8.984
  150   1HZ   LYS  19          1HZ       LYS  19   3.336   4.294 -10.378
  151   2HZ   LYS  19          2HZ       LYS  19   3.033   3.254 -11.687
  152   3HZ   LYS  19          3HZ       LYS  19   4.568   3.281 -10.958
  153    H    THR  20           H        THR  20   6.270   4.088  -5.501
  154    HA   THR  20           HA       THR  20   8.159   2.218  -4.711
  155    HB   THR  20           HB       THR  20   7.260   4.726  -3.129
  156    HG1  THR  20           HG1      THR  20   7.748   5.128  -5.271
  157   1HG2  THR  20          1HG2      THR  20   8.980   3.204  -1.936
  158   2HG2  THR  20          2HG2      THR  20   9.623   4.772  -2.394
  159   3HG2  THR  20          3HG2      THR  20  10.002   3.354  -3.358
  160    H    HIS  21           H        HIS  21   5.351   3.346  -2.865
  161    HA   HIS  21           HA       HIS  21   5.507   1.756  -0.592
  162   1HB   HIS  21          1HB       HIS  21   3.743   3.322  -0.595
  163   2HB   HIS  21          2HB       HIS  21   3.176   2.880  -2.186
  164    HD1  HIS  21           HD1      HIS  21   3.192   1.431   1.280
  165    HD2  HIS  21           HD2      HIS  21   1.175   1.023  -2.245
  166    HE1  HIS  21           HE1      HIS  21   1.303  -0.102   1.727
  167    H    ILE  22           H        ILE  22   3.637   0.846  -3.536
  168    HA   ILE  22           HA       ILE  22   3.024  -1.789  -2.864
  169    HB   ILE  22           HB       ILE  22   3.765  -0.610  -5.587
  170   1HG1  ILE  22          2HG1      ILE  22   1.029  -1.239  -4.384
  171   2HG1  ILE  22          1HG1      ILE  22   1.760   0.342  -4.276
  172   1HG2  ILE  22          1HG2      ILE  22   2.586  -2.581  -6.579
  173   2HG2  ILE  22          2HG2      ILE  22   2.356  -3.259  -4.975
  174   3HG2  ILE  22          3HG2      ILE  22   3.969  -3.111  -5.653
  175   1HD1  ILE  22          1HD1      ILE  22   1.069  -1.104  -6.874
  176   2HD1  ILE  22          2HD1      ILE  22   1.831   0.475  -6.772
  177   3HD1  ILE  22          3HD1      ILE  22   0.196   0.247  -6.179
  178    H    LYS  23           H        LYS  23   5.810  -0.858  -4.767
  179    HA   LYS  23           HA       LYS  23   7.208  -3.132  -5.195
  180   1HB   LYS  23          1HB       LYS  23   8.420  -0.517  -4.181
  181   2HB   LYS  23          2HB       LYS  23   9.332  -1.788  -4.947
  182   1HG   LYS  23          2HG       LYS  23   6.954  -0.529  -6.354
  183   2HG   LYS  23          1HG       LYS  23   8.548   0.188  -6.431
  184   1HD   LYS  23          2HD       LYS  23   9.471  -1.902  -7.386
  185   2HD   LYS  23          1HD       LYS  23   7.912  -2.694  -7.247
  186   1HE   LYS  23          2HE       LYS  23   8.416  -0.204  -8.929
  187   2HE   LYS  23          1HE       LYS  23   8.358  -1.839  -9.569
  188   1HZ   LYS  23          1HZ       LYS  23   6.241  -0.109  -9.059
  189   2HZ   LYS  23          2HZ       LYS  23   6.079  -1.426  -8.003
  190   3HZ   LYS  23          3HZ       LYS  23   6.186  -1.688  -9.675
  191    H    THR  24           H        THR  24   7.275  -1.488  -2.098
  192    HA   THR  24           HA       THR  24   8.851  -3.700  -0.895
  193    HB   THR  24           HB       THR  24   8.301  -0.882   0.138
  194    HG1  THR  24           HG1      THR  24  10.815  -1.559  -0.440
  195   1HG2  THR  24          1HG2      THR  24  10.309  -3.017   1.078
  196   2HG2  THR  24          2HG2      THR  24   8.878  -2.582   1.999
  197   3HG2  THR  24          3HG2      THR  24  10.143  -1.396   1.732
  198    H    LYS  25           H        LYS  25   5.770  -2.049  -0.216
  199    HA   LYS  25           HA       LYS  25   5.298  -3.587   2.203
  200   1HB   LYS  25          1HB       LYS  25   3.362  -1.894   0.580
  201   2HB   LYS  25          2HB       LYS  25   3.104  -2.457   2.226
  202   1HG   LYS  25          2HG       LYS  25   5.214  -0.478   1.287
  203   2HG   LYS  25          1HG       LYS  25   3.812  -0.139   2.280
  204   1HD   LYS  25          2HD       LYS  25   4.723  -1.611   4.088
  205   2HD   LYS  25          1HD       LYS  25   6.173  -1.857   3.123
  206   1HE   LYS  25          2HE       LYS  25   5.193   0.869   4.050
  207   2HE   LYS  25          1HE       LYS  25   6.508  -0.042   4.775
  208   1HZ   LYS  25          1HZ       LYS  25   6.967   0.084   2.026
  209   2HZ   LYS  25          2HZ       LYS  25   7.863   0.790   3.283
  210   3HZ   LYS  25          3HZ       LYS  25   6.587   1.650   2.560
  211    H    HIS  26           H        HIS  26   4.512  -4.045  -1.145
  212    HA   HIS  26           HA       HIS  26   2.757  -6.340  -0.425
  213   1HB   HIS  26          1HB       HIS  26   2.891  -4.560  -2.895
  214   2HB   HIS  26          2HB       HIS  26   1.874  -5.977  -2.817
  215    HD1  HIS  26           HD1      HIS  26   0.633  -5.815  -0.158
  216    HD2  HIS  26           HD2      HIS  26   1.265  -2.383  -2.281
  217    HE1  HIS  26           HE1      HIS  26  -0.900  -4.124   0.781
  218    H    SER  27           H        SER  27   5.199  -5.213  -2.558
  219    HA   SER  27           HA       SER  27   7.316  -6.459  -2.861
  220   1HB   SER  27          2HB       SER  27   7.253  -8.863  -3.541
  221   2HB   SER  27          1HB       SER  27   6.314  -8.746  -2.061
  222    HG   SER  27           HG       SER  27   5.512  -9.398  -4.542
  223    H    LYS  28           H        LYS  28   7.818  -7.690  -4.957
  224    HA   LYS  28           HA       LYS  28   7.699  -8.006  -7.290
  225   1HB   LYS  28          1HB       LYS  28   5.598  -5.761  -7.367
  226   2HB   LYS  28          2HB       LYS  28   6.132  -6.732  -8.710
  227   1HG   LYS  28          2HG       LYS  28   5.125  -8.702  -7.984
  228   2HG   LYS  28          1HG       LYS  28   5.065  -8.214  -6.305
  229   1HD   LYS  28          2HD       LYS  28   3.334  -6.526  -6.834
  230   2HD   LYS  28          1HD       LYS  28   3.405  -6.963  -8.530
  231   1HE   LYS  28          2HE       LYS  28   1.486  -8.034  -7.343
  232   2HE   LYS  28          1HE       LYS  28   2.576  -9.219  -8.037
  233   1HZ   LYS  28          1HZ       LYS  28   1.757  -8.952  -5.392
  234   2HZ   LYS  28          2HZ       LYS  28   3.437  -8.711  -5.403
  235   3HZ   LYS  28          3HZ       LYS  28   2.783 -10.113  -6.071
  236    H    GLU  29           H        GLU  29   8.468  -6.879  -9.096
  237    HA   GLU  29           HA       GLU  29   9.960  -4.352  -8.507
  238   1HB   GLU  29          1HB       GLU  29  11.906  -5.256  -9.658
  239   2HB   GLU  29          2HB       GLU  29  11.416  -6.432  -8.469
  240   1HG   GLU  29          2HG       GLU  29  10.857  -6.597 -11.466
  241   2HG   GLU  29          1HG       GLU  29  12.035  -7.535 -10.587
  242    H    LYS  30           H        LYS  30   7.411  -5.092  -9.866
  243    HA   LYS  30           HA       LYS  30   7.868  -3.703 -12.471
  244   1HB   LYS  30          1HB       LYS  30   6.112  -6.102 -11.835
  245   2HB   LYS  30          2HB       LYS  30   5.874  -5.118 -13.272
  246   1HG   LYS  30          2HG       LYS  30   8.072  -5.630 -14.109
  247   2HG   LYS  30          1HG       LYS  30   8.578  -6.351 -12.604
  248   1HD   LYS  30          2HD       LYS  30   8.094  -8.107 -14.264
  249   2HD   LYS  30          1HD       LYS  30   6.963  -8.215 -12.939
  250   1HE   LYS  30          2HE       LYS  30   6.274  -6.716 -15.495
  251   2HE   LYS  30          1HE       LYS  30   5.967  -8.435 -15.313
  252   1HZ   LYS  30          1HZ       LYS  30   4.421  -6.297 -14.414
  253   2HZ   LYS  30          2HZ       LYS  30   4.981  -7.132 -13.046
  254   3HZ   LYS  30          3HZ       LYS  30   4.124  -7.962 -14.252
  Start of MODEL   33
    1   1H    LYS   1          1H        LYS   1  -2.960  12.627  -4.306
    2   2H    LYS   1          2H        LYS   1  -3.109  13.344  -5.829
    3   3H    LYS   1          3H        LYS   1  -4.347  12.346  -5.237
    4    HA   LYS   1           HA       LYS   1  -3.882  14.356  -3.354
    5   1HB   LYS   1          2HB       LYS   1  -4.502  16.356  -4.819
    6   2HB   LYS   1          1HB       LYS   1  -2.904  15.709  -5.132
    7   1HG   LYS   1          2HG       LYS   1  -3.815  14.388  -7.070
    8   2HG   LYS   1          1HG       LYS   1  -5.401  15.044  -6.754
    9   1HD   LYS   1          2HD       LYS   1  -4.766  17.248  -7.374
   10   2HD   LYS   1          1HD       LYS   1  -3.050  16.879  -7.301
   11   1HE   LYS   1          2HE       LYS   1  -4.981  15.538  -9.252
   12   2HE   LYS   1          1HE       LYS   1  -3.966  16.910  -9.667
   13   1HZ   LYS   1          1HZ       LYS   1  -3.273  14.185  -9.553
   14   2HZ   LYS   1          2HZ       LYS   1  -2.346  15.035  -8.428
   15   3HZ   LYS   1          3HZ       LYS   1  -2.326  15.511 -10.056
   16    H    THR   2           H        THR   2  -7.295  12.859  -3.639
   17    HA   THR   2           HA       THR   2  -4.437  12.071  -3.163
   18    HB   THR   2           HB       THR   2  -5.409  10.557  -1.399
   19    HG1  THR   2           HG1      THR   2  -7.712  11.967  -1.251
   20   1HG2  THR   2          1HG2      THR   2  -4.557  12.877  -0.805
   21   2HG2  THR   2          2HG2      THR   2  -5.906  12.383   0.210
   22   3HG2  THR   2          3HG2      THR   2  -6.167  13.513  -1.107
   23    H    TYR   3           H        TYR   3  -3.971   9.899  -3.345
   24    HA   TYR   3           HA       TYR   3  -5.612   8.333  -5.311
   25   1HB   TYR   3          1HB       TYR   3  -2.563   8.485  -5.033
   26   2HB   TYR   3          2HB       TYR   3  -3.394   7.349  -6.083
   27    HD1  TYR   3           HD1      TYR   3  -2.342  10.832  -5.676
   28    HD2  TYR   3           HD2      TYR   3  -4.738   8.192  -8.007
   29    HE1  TYR   3           HE1      TYR   3  -2.501  12.524  -7.445
   30    HE2  TYR   3           HE2      TYR   3  -4.897   9.885  -9.763
   31    HH   TYR   3           HH       TYR   3  -4.472  11.970 -10.350
   32    H    GLN   4           H        GLN   4  -5.638   6.089  -4.952
   33    HA   GLN   4           HA       GLN   4  -4.845   5.262  -2.199
   34   1HB   GLN   4          1HB       GLN   4  -7.257   4.575  -3.892
   35   2HB   GLN   4          2HB       GLN   4  -6.799   3.536  -2.563
   36   1HG   GLN   4          2HG       GLN   4  -7.250   6.543  -2.253
   37   2HG   GLN   4          1HG       GLN   4  -8.517   5.360  -2.001
   38   1HE2  GLN   4          1HE2      GLN   4  -6.003   3.619  -0.845
   39   2HE2  GLN   4          2HE2      GLN   4  -5.971   4.178   0.755
   40    H    CYS   5           H        CYS   5  -4.303   2.893  -1.951
   41    HA   CYS   5           HA       CYS   5  -2.628   2.068  -4.219
   42   1HB   CYS   5          1HB       CYS   5  -1.759   1.822  -1.995
   43   2HB   CYS   5          2HB       CYS   5  -3.156   0.879  -1.481
   44    H    GLN   6           H        GLN   6  -2.652  -0.229  -4.838
   45    HA   GLN   6           HA       GLN   6  -5.393  -1.004  -5.671
   46   1HB   GLN   6          1HB       GLN   6  -2.679  -2.061  -6.507
   47   2HB   GLN   6          2HB       GLN   6  -4.199  -2.632  -7.164
   48   1HG   GLN   6          2HG       GLN   6  -4.699  -0.330  -7.999
   49   2HG   GLN   6          1HG       GLN   6  -3.164   0.235  -7.351
   50   1HE2  GLN   6          1HE2      GLN   6  -2.532  -2.884  -8.441
   51   2HE2  GLN   6          2HE2      GLN   6  -2.031  -2.508 -10.016
   52    H    TYR   7           H        TYR   7  -2.697  -2.394  -3.921
   53    HA   TYR   7           HA       TYR   7  -4.063  -4.952  -3.454
   54   1HB   TYR   7          1HB       TYR   7  -1.487  -3.813  -2.301
   55   2HB   TYR   7          2HB       TYR   7  -1.962  -5.500  -2.230
   56    HD1  TYR   7           HD1      TYR   7  -2.216  -6.794  -4.417
   57    HD2  TYR   7           HD2      TYR   7  -0.588  -2.862  -4.313
   58    HE1  TYR   7           HE1      TYR   7  -1.335  -7.095  -6.685
   59    HE2  TYR   7           HE2      TYR   7   0.285  -3.162  -6.579
   60    HH   TYR   7           HH       TYR   7   0.263  -4.438  -8.394
   61    H    CYS   8           H        CYS   8  -3.064  -2.177  -1.516
   62    HA   CYS   8           HA       CYS   8  -5.014  -2.993   0.622
   63   1HB   CYS   8          1HB       CYS   8  -3.554  -2.050   2.244
   64   2HB   CYS   8          2HB       CYS   8  -2.498  -2.856   1.123
   65    H    GLU   9           H        GLU   9  -4.981  -0.617   1.949
   66    HA   GLU   9           HA       GLU   9  -6.187   1.307  -0.011
   67   1HB   GLU   9          1HB       GLU   9  -7.841   0.085   1.535
   68   2HB   GLU   9          2HB       GLU   9  -7.041   0.857   2.896
   69   1HG   GLU   9          2HG       GLU   9  -9.014   2.163   2.322
   70   2HG   GLU   9          1HG       GLU   9  -7.613   3.112   1.888
   71    H1   HAC  10           H1       HAC  10  -0.858   4.676   1.827
   72   1H2   HAC  10          1H2       HAC  10   0.072   4.558  -0.530
   73   2H2   HAC  10          2H2       HAC  10   1.117   3.251  -0.021
   74   1H3   HAC  10          1H3       HAC  10   1.296   6.173   0.589
   75   2H3   HAC  10          2H3       HAC  10   2.580   5.034   0.261
   76   1H4   HAC  10          1H4       HAC  10   2.932   5.410   2.531
   77   2H4   HAC  10          2H4       HAC  10   1.234   5.669   2.874
   78   1H5   HAC  10          1H5       HAC  10   2.482   2.972   2.224
   79   2H5   HAC  10          2H5       HAC  10   2.079   3.525   3.834
   80   1H6   HAC  10          1H6       HAC  10   0.353   2.011   2.478
   81   2H6   HAC  10          2H6       HAC  10  -0.203   3.283   3.536
   82   1H7   HAC  10          1H7       HAC  10  -1.454   2.856  -0.228
   83   2H7   HAC  10          2H7       HAC  10  -1.377   1.808   1.131
   84    H8   HAC  10           H8       HAC  10  -2.911   3.446   2.382
   85   1HN8  HAC  10          1HN8      HAC  10  -3.734   1.701   0.123
   86    H    ARG  11           H        ARG  11  -2.799   5.645   2.184
   87    HA   ARG  11           HA       ARG  11  -3.888   6.861  -0.312
   88   1HB   ARG  11          1HB       ARG  11  -4.568   8.756   1.207
   89   2HB   ARG  11          2HB       ARG  11  -5.349   7.232   1.564
   90   1HG   ARG  11          2HG       ARG  11  -3.553   6.855   3.382
   91   2HG   ARG  11          1HG       ARG  11  -3.058   8.518   3.113
   92   1HD   ARG  11          2HD       ARG  11  -5.335   9.307   3.685
   93   2HD   ARG  11          1HD       ARG  11  -5.874   7.642   3.882
   94    HE   ARG  11           HE       ARG  11  -4.215   7.450   5.759
   95   1HH1  ARG  11          2HH1      ARG  11  -6.338   9.980   5.429
   96   2HH1  ARG  11          1HH1      ARG  11  -5.592  11.015   6.600
   97   1HH2  ARG  11          1HH2      ARG  11  -2.773   8.960   6.918
   98   2HH2  ARG  11          2HH2      ARG  11  -3.521  10.426   7.459
   99    H    SER  12           H        SER  12  -2.696   8.103  -1.437
  100    HA   SER  12           HA       SER  12  -0.251   9.431  -0.340
  101   1HB   SER  12          2HB       SER  12  -0.365   8.075  -3.106
  102   2HB   SER  12          1HB       SER  12   1.018   8.842  -2.362
  103    HG   SER  12           HG       SER  12   1.355   7.048  -1.343
  104    H    ALA  13           H        ALA  13   0.581  11.012  -1.992
  105    HA   ALA  13           HA       ALA  13  -1.657  12.650  -3.119
  106   1HB   ALA  13          1HB       ALA  13  -0.529  13.680  -1.165
  107   2HB   ALA  13          2HB       ALA  13  -0.233  14.614  -2.624
  108   3HB   ALA  13          3HB       ALA  13   1.015  13.551  -1.991
  109    H    ASP  14           H        ASP  14   1.244  11.026  -3.678
  110    HA   ASP  14           HA       ASP  14   1.609  12.138  -6.425
  111   1HB   ASP  14          1HB       ASP  14   3.450  12.677  -4.911
  112   2HB   ASP  14          2HB       ASP  14   3.578  10.998  -4.390
  113    H    SER  15           H        SER  15   3.114  10.312  -7.604
  114    HA   SER  15           HA       SER  15   1.544   7.770  -7.613
  115   1HB   SER  15          2HB       SER  15   3.015   9.133  -9.933
  116   2HB   SER  15          1HB       SER  15   2.047   7.654 -10.034
  117    HG   SER  15           HG       SER  15   0.687   9.573  -8.723
  118    H    SER  16           H        SER  16   4.772   9.083  -8.414
  119    HA   SER  16           HA       SER  16   6.303   6.796  -8.641
  120   1HB   SER  16          2HB       SER  16   7.135   9.268  -7.011
  121   2HB   SER  16          1HB       SER  16   8.227   8.089  -7.740
  122    HG   SER  16           HG       SER  16   8.004   9.166  -9.499
  123    H    ASN  17           H        ASN  17   5.436   8.430  -5.697
  124    HA   ASN  17           HA       ASN  17   6.553   6.680  -3.789
  125   1HB   ASN  17          1HB       ASN  17   5.675   8.927  -3.236
  126   2HB   ASN  17          2HB       ASN  17   4.033   8.392  -3.559
  127   1HD2  ASN  17          2HD2      ASN  17   5.972   5.934  -1.997
  128   2HD2  ASN  17          1HD2      ASN  17   5.361   6.186  -0.438
  129    H    LEU  18           H        LEU  18   3.175   6.624  -5.110
  130    HA   LEU  18           HA       LEU  18   2.394   4.368  -3.579
  131   1HB   LEU  18          1HB       LEU  18   0.939   5.930  -5.164
  132   2HB   LEU  18          2HB       LEU  18   1.463   4.869  -6.468
  133    HG   LEU  18           HG       LEU  18   0.390   2.883  -5.188
  134   1HD1  LEU  18          1HD1      LEU  18  -1.137   3.461  -3.345
  135   2HD1  LEU  18          2HD1      LEU  18  -0.680   5.152  -3.447
  136   3HD1  LEU  18          3HD1      LEU  18   0.482   3.952  -2.910
  137   1HD2  LEU  18          1HD2      LEU  18  -1.889   3.524  -5.780
  138   2HD2  LEU  18          2HD2      LEU  18  -0.792   4.098  -7.019
  139   3HD2  LEU  18          3HD2      LEU  18  -1.445   5.220  -5.840
  140    H    LYS  19           H        LYS  19   4.065   4.547  -6.636
  141    HA   LYS  19           HA       LYS  19   4.037   1.711  -7.149
  142   1HB   LYS  19          1HB       LYS  19   6.239   3.732  -7.914
  143   2HB   LYS  19          2HB       LYS  19   6.061   2.122  -8.583
  144   1HG   LYS  19          2HG       LYS  19   3.846   2.731  -9.517
  145   2HG   LYS  19          1HG       LYS  19   3.978   4.330  -8.816
  146   1HD   LYS  19          2HD       LYS  19   4.582   4.378 -11.214
  147   2HD   LYS  19          1HD       LYS  19   5.940   4.844 -10.214
  148   1HE   LYS  19          2HE       LYS  19   6.587   3.285 -12.063
  149   2HE   LYS  19          1HE       LYS  19   6.967   2.610 -10.488
  150   1HZ   LYS  19          1HZ       LYS  19   5.383   1.527 -12.496
  151   2HZ   LYS  19          2HZ       LYS  19   4.348   1.873 -11.196
  152   3HZ   LYS  19          3HZ       LYS  19   5.708   0.884 -10.960
  153    H    THR  20           H        THR  20   6.663   3.685  -5.770
  154    HA   THR  20           HA       THR  20   8.374   1.626  -4.949
  155    HB   THR  20           HB       THR  20   9.094   3.262  -3.058
  156    HG1  THR  20           HG1      THR  20   7.172   4.951  -4.167
  157   1HG2  THR  20          1HG2      THR  20   9.734   5.118  -4.581
  158   2HG2  THR  20          2HG2      THR  20   8.529   4.619  -5.755
  159   3HG2  THR  20          3HG2      THR  20   9.924   3.604  -5.448
  160    H    HIS  21           H        HIS  21   5.547   2.947  -3.211
  161    HA   HIS  21           HA       HIS  21   5.631   1.402  -0.898
  162   1HB   HIS  21          1HB       HIS  21   4.012   3.159  -1.021
  163   2HB   HIS  21          2HB       HIS  21   3.354   2.600  -2.542
  164    HD1  HIS  21           HD1      HIS  21   3.357   1.552   1.067
  165    HD2  HIS  21           HD2      HIS  21   1.271   0.859  -2.377
  166    HE1  HIS  21           HE1      HIS  21   1.373   0.195   1.698
  167    H    ILE  22           H        ILE  22   3.748   0.611  -3.883
  168    HA   ILE  22           HA       ILE  22   2.947  -1.979  -3.225
  169    HB   ILE  22           HB       ILE  22   3.774  -0.763  -5.896
  170   1HG1  ILE  22          2HG1      ILE  22   1.000  -1.366  -4.798
  171   2HG1  ILE  22          1HG1      ILE  22   1.793   0.152  -4.483
  172   1HG2  ILE  22          1HG2      ILE  22   2.284  -3.386  -5.429
  173   2HG2  ILE  22          2HG2      ILE  22   3.897  -3.254  -6.096
  174   3HG2  ILE  22          3HG2      ILE  22   2.537  -2.630  -6.994
  175   1HD1  ILE  22          1HD1      ILE  22   1.152  -0.976  -7.253
  176   2HD1  ILE  22          2HD1      ILE  22   1.976   0.547  -6.952
  177   3HD1  ILE  22          3HD1      ILE  22   0.305   0.341  -6.457
  178    H    LYS  23           H        LYS  23   5.884  -1.201  -4.970
  179    HA   LYS  23           HA       LYS  23   6.972  -3.799  -5.151
  180   1HB   LYS  23          1HB       LYS  23   8.163  -1.028  -5.298
  181   2HB   LYS  23          2HB       LYS  23   9.212  -2.422  -5.382
  182   1HG   LYS  23          2HG       LYS  23   8.629  -1.681  -7.638
  183   2HG   LYS  23          1HG       LYS  23   7.986  -3.281  -7.344
  184   1HD   LYS  23          2HD       LYS  23   5.723  -2.333  -6.963
  185   2HD   LYS  23          1HD       LYS  23   6.360  -0.711  -7.167
  186   1HE   LYS  23          2HE       LYS  23   6.446  -2.847  -9.325
  187   2HE   LYS  23          1HE       LYS  23   5.239  -1.575  -9.227
  188   1HZ   LYS  23          1HZ       LYS  23   6.608  -0.234 -10.257
  189   2HZ   LYS  23          2HZ       LYS  23   7.788  -1.451 -10.340
  190   3HZ   LYS  23          3HZ       LYS  23   7.756  -0.386  -9.017
  191    H    THR  24           H        THR  24   7.009  -1.726  -2.384
  192    HA   THR  24           HA       THR  24   9.087  -3.408  -1.061
  193    HB   THR  24           HB       THR  24   8.107  -0.598  -0.361
  194    HG1  THR  24           HG1      THR  24  10.664  -0.947  -1.101
  195   1HG2  THR  24          1HG2      THR  24  10.540  -2.183   0.664
  196   2HG2  THR  24          2HG2      THR  24   9.105  -1.892   1.635
  197   3HG2  THR  24          3HG2      THR  24  10.099  -0.547   1.121
  198    H    LYS  25           H        LYS  25   5.844  -2.219  -0.535
  199    HA   LYS  25           HA       LYS  25   5.571  -3.570   2.049
  200   1HB   LYS  25          1HB       LYS  25   3.690  -1.765   0.504
  201   2HB   LYS  25          2HB       LYS  25   3.404  -2.335   2.139
  202   1HG   LYS  25          2HG       LYS  25   5.725  -0.585   1.209
  203   2HG   LYS  25          1HG       LYS  25   4.326  -0.022   2.087
  204   1HD   LYS  25          2HD       LYS  25   6.463  -1.934   3.149
  205   2HD   LYS  25          1HD       LYS  25   6.214  -0.273   3.629
  206   1HE   LYS  25          2HE       LYS  25   4.278  -2.578   4.119
  207   2HE   LYS  25          1HE       LYS  25   5.231  -1.726   5.319
  208   1HZ   LYS  25          1HZ       LYS  25   3.786   0.176   3.894
  209   2HZ   LYS  25          2HZ       LYS  25   3.631  -0.269   5.524
  210   3HZ   LYS  25          3HZ       LYS  25   2.711  -1.060   4.336
  211    H    HIS  26           H        HIS  26   4.487  -4.106  -1.252
  212    HA   HIS  26           HA       HIS  26   2.651  -6.203  -0.197
  213   1HB   HIS  26          1HB       HIS  26   2.706  -4.699  -2.828
  214   2HB   HIS  26          2HB       HIS  26   1.667  -6.070  -2.575
  215    HD1  HIS  26           HD1      HIS  26   0.557  -5.656   0.123
  216    HD2  HIS  26           HD2      HIS  26   1.222  -2.434  -2.306
  217    HE1  HIS  26           HE1      HIS  26  -0.863  -3.826   0.988
  218    H    SER  27           H        SER  27   4.834  -5.728  -2.847
  219    HA   SER  27           HA       SER  27   5.496  -7.639  -4.313
  220   1HB   SER  27          2HB       SER  27   7.864  -8.046  -3.286
  221   2HB   SER  27          1HB       SER  27   7.416  -6.369  -3.606
  222    HG   SER  27           HG       SER  27   7.589  -6.047  -1.563
  223    H    LYS  28           H        LYS  28   6.482  -8.740  -1.206
  224    HA   LYS  28           HA       LYS  28   6.744 -11.407  -1.402
  225   1HB   LYS  28          1HB       LYS  28   5.926 -11.661   0.982
  226   2HB   LYS  28          2HB       LYS  28   7.096 -10.384   0.744
  227   1HG   LYS  28          2HG       LYS  28   5.380  -8.671   0.830
  228   2HG   LYS  28          1HG       LYS  28   4.093  -9.866   0.815
  229   1HD   LYS  28          2HD       LYS  28   4.803 -10.747   2.989
  230   2HD   LYS  28          1HD       LYS  28   6.179  -9.659   3.024
  231   1HE   LYS  28          2HE       LYS  28   3.291  -8.692   2.876
  232   2HE   LYS  28          1HE       LYS  28   4.192  -8.841   4.380
  233   1HZ   LYS  28          1HZ       LYS  28   4.238  -6.739   2.555
  234   2HZ   LYS  28          2HZ       LYS  28   5.773  -7.460   2.543
  235   3HZ   LYS  28          3HZ       LYS  28   5.103  -6.907   4.002
  236    H    GLU  29           H        GLU  29   3.627  -9.985  -1.071
  237    HA   GLU  29           HA       GLU  29   1.529 -11.217  -0.635
  238   1HB   GLU  29          1HB       GLU  29   2.065 -11.162  -3.643
  239   2HB   GLU  29          2HB       GLU  29   0.496 -11.119  -2.874
  240   1HG   GLU  29          2HG       GLU  29   2.605  -8.931  -2.778
  241   2HG   GLU  29          1HG       GLU  29   1.120  -8.902  -3.680
  242    H    LYS  30           H        LYS  30   2.447 -13.107   0.297
  243    HA   LYS  30           HA       LYS  30   3.211 -15.416   0.146
  244   1HB   LYS  30          1HB       LYS  30   1.187 -14.930   1.500
  245   2HB   LYS  30          2HB       LYS  30   0.173 -15.276   0.111
  246   1HG   LYS  30          2HG       LYS  30   1.181 -17.616   0.029
  247   2HG   LYS  30          1HG       LYS  30   2.062 -17.234   1.494
  248   1HD   LYS  30          2HD       LYS  30  -0.964 -17.110   1.272
  249   2HD   LYS  30          1HD       LYS  30  -0.100 -18.526   1.833
  250   1HE   LYS  30          2HE       LYS  30   0.929 -17.075   3.661
  251   2HE   LYS  30          1HE       LYS  30  -0.139 -15.772   3.149
  252   1HZ   LYS  30          1HZ       LYS  30  -1.738 -16.650   4.337
  253   2HZ   LYS  30          2HZ       LYS  30  -0.710 -17.913   4.828
  254   3HZ   LYS  30          3HZ       LYS  30  -1.664 -18.086   3.435
  Start of MODEL   34
    1   1H    LYS   1          1H        LYS   1  -6.387  11.547  -9.294
    2   2H    LYS   1          2H        LYS   1  -6.141  12.713 -10.503
    3   3H    LYS   1          3H        LYS   1  -7.666  12.555  -9.770
    4    HA   LYS   1           HA       LYS   1  -5.525  14.174  -9.020
    5   1HB   LYS   1          2HB       LYS   1  -7.173  14.979  -7.311
    6   2HB   LYS   1          1HB       LYS   1  -7.850  14.893  -8.922
    7   1HG   LYS   1          2HG       LYS   1  -8.979  12.747  -8.355
    8   2HG   LYS   1          1HG       LYS   1  -8.269  12.772  -6.754
    9   1HD   LYS   1          2HD       LYS   1  -9.404  14.921  -6.256
   10   2HD   LYS   1          1HD       LYS   1 -10.142  14.907  -7.847
   11   1HE   LYS   1          2HE       LYS   1 -10.542  12.743  -5.737
   12   2HE   LYS   1          1HE       LYS   1 -11.684  14.033  -6.078
   13   1HZ   LYS   1          1HZ       LYS   1 -11.409  11.582  -7.371
   14   2HZ   LYS   1          2HZ       LYS   1 -11.023  12.798  -8.494
   15   3HZ   LYS   1          3HZ       LYS   1 -12.518  12.826  -7.693
   16    H    THR   2           H        THR   2  -6.908  11.340  -7.445
   17    HA   THR   2           HA       THR   2  -4.772  11.504  -5.339
   18    HB   THR   2           HB       THR   2  -7.393   9.944  -5.149
   19    HG1  THR   2           HG1      THR   2  -7.279  12.132  -3.631
   20   1HG2  THR   2          1HG2      THR   2  -5.555   9.356  -3.443
   21   2HG2  THR   2          2HG2      THR   2  -6.947  10.120  -2.700
   22   3HG2  THR   2          3HG2      THR   2  -5.493  11.053  -3.004
   23    H    TYR   3           H        TYR   3  -4.023   9.489  -4.574
   24    HA   TYR   3           HA       TYR   3  -4.006   7.213  -6.465
   25   1HB   TYR   3          1HB       TYR   3  -1.605   8.774  -5.376
   26   2HB   TYR   3          2HB       TYR   3  -1.428   7.168  -6.049
   27    HD1  TYR   3           HD1      TYR   3  -2.511   6.754  -8.382
   28    HD2  TYR   3           HD2      TYR   3  -1.628  10.644  -6.893
   29    HE1  TYR   3           HE1      TYR   3  -2.593   7.640 -10.658
   30    HE2  TYR   3           HE2      TYR   3  -1.709  11.529  -9.173
   31    HH   TYR   3           HH       TYR   3  -2.127  11.090 -11.317
   32    H    GLN   4           H        GLN   4  -5.269   6.064  -5.092
   33    HA   GLN   4           HA       GLN   4  -4.255   5.498  -2.336
   34   1HB   GLN   4          1HB       GLN   4  -6.658   6.297  -2.696
   35   2HB   GLN   4          2HB       GLN   4  -6.958   4.860  -3.644
   36   1HG   GLN   4          2HG       GLN   4  -6.116   4.836  -0.709
   37   2HG   GLN   4          1HG       GLN   4  -7.767   4.690  -1.266
   38   1HE2  GLN   4          2HE2      GLN   4  -5.240   2.847  -0.224
   39   2HE2  GLN   4          1HE2      GLN   4  -5.613   1.386  -0.996
   40    H    CYS   5           H        CYS   5  -3.198   3.579  -2.092
   41    HA   CYS   5           HA       CYS   5  -2.181   1.948  -3.940
   42   1HB   CYS   5          1HB       CYS   5  -1.823   1.810  -1.513
   43   2HB   CYS   5          2HB       CYS   5  -3.334   0.923  -1.359
   44    H    GLN   6           H        GLN   6  -2.437  -0.072  -4.800
   45    HA   GLN   6           HA       GLN   6  -5.279  -0.812  -5.453
   46   1HB   GLN   6          1HB       GLN   6  -2.713  -1.512  -6.927
   47   2HB   GLN   6          2HB       GLN   6  -4.333  -1.954  -7.434
   48   1HG   GLN   6          2HG       GLN   6  -4.900   0.503  -7.612
   49   2HG   GLN   6          1HG       GLN   6  -3.220   0.877  -7.234
   50   1HE2  GLN   6          1HE2      GLN   6  -1.868   1.028  -9.040
   51   2HE2  GLN   6          2HE2      GLN   6  -2.182   0.314 -10.548
   52    H    TYR   7           H        TYR   7  -3.477  -1.617  -3.142
   53    HA   TYR   7           HA       TYR   7  -4.026  -4.542  -3.273
   54   1HB   TYR   7          1HB       TYR   7  -1.469  -3.154  -2.456
   55   2HB   TYR   7          2HB       TYR   7  -1.814  -4.806  -1.965
   56    HD1  TYR   7           HD1      TYR   7  -1.963  -6.601  -3.655
   57    HD2  TYR   7           HD2      TYR   7  -0.924  -2.627  -4.788
   58    HE1  TYR   7           HE1      TYR   7  -1.161  -7.425  -5.817
   59    HE2  TYR   7           HE2      TYR   7  -0.127  -3.455  -6.947
   60    HH   TYR   7           HH       TYR   7  -0.236  -6.930  -7.744
   61    H    CYS   8           H        CYS   8  -2.978  -1.950  -1.144
   62    HA   CYS   8           HA       CYS   8  -4.701  -3.033   1.057
   63   1HB   CYS   8          1HB       CYS   8  -3.082  -2.243   2.609
   64   2HB   CYS   8          2HB       CYS   8  -2.144  -2.875   1.286
   65    H    GLU   9           H        GLU   9  -4.496  -0.790   2.650
   66    HA   GLU   9           HA       GLU   9  -6.258   1.146   1.198
   67   1HB   GLU   9          1HB       GLU   9  -7.208  -0.206   3.114
   68   2HB   GLU   9          2HB       GLU   9  -6.089   0.616   4.195
   69   1HG   GLU   9          2HG       GLU   9  -7.145   2.835   3.460
   70   2HG   GLU   9          1HG       GLU   9  -8.304   1.900   2.537
   71    H1   HAC  10           H1       HAC  10  -0.763   4.720   2.256
   72   1H2   HAC  10          1H2       HAC  10   0.374   4.739   0.023
   73   2H2   HAC  10          2H2       HAC  10   1.297   3.328   0.484
   74   1H3   HAC  10          1H3       HAC  10   1.365   6.037   1.889
   75   2H3   HAC  10          2H3       HAC  10   2.610   5.413   0.825
   76   1H4   HAC  10          1H4       HAC  10   3.019   3.533   2.386
   77   2H4   HAC  10          2H4       HAC  10   3.197   5.061   3.229
   78   1H5   HAC  10          1H5       HAC  10   1.866   3.456   4.574
   79   2H5   HAC  10          2H5       HAC  10   0.913   4.867   4.159
   80   1H6   HAC  10          1H6       HAC  10   0.830   2.170   2.759
   81   2H6   HAC  10          2H6       HAC  10  -0.421   2.829   3.791
   82   1H7   HAC  10          1H7       HAC  10  -1.219   2.990   0.109
   83   2H7   HAC  10          2H7       HAC  10  -1.213   1.884   1.419
   84    H8   HAC  10           H8       HAC  10  -2.719   3.654   2.684
   85   1HN8  HAC  10          1HN8      HAC  10  -3.646   1.614   0.709
   86    H    ARG  11           H        ARG  11  -2.440   5.829   2.123
   87    HA   ARG  11           HA       ARG  11  -3.844   6.734  -0.363
   88   1HB   ARG  11          1HB       ARG  11  -3.907   8.104   2.342
   89   2HB   ARG  11          2HB       ARG  11  -4.758   8.612   0.898
   90   1HG   ARG  11          2HG       ARG  11  -6.158   6.604   0.925
   91   2HG   ARG  11          1HG       ARG  11  -5.233   5.922   2.252
   92   1HD   ARG  11          2HD       ARG  11  -5.898   7.851   3.702
   93   2HD   ARG  11          1HD       ARG  11  -6.872   8.488   2.380
   94    HE   ARG  11           HE       ARG  11  -7.394   5.792   3.582
   95   1HH1  ARG  11          1HH1      ARG  11  -8.955   6.543   1.202
   96   2HH1  ARG  11          2HH1      ARG  11 -10.375   7.269   1.874
   97   1HH2  ARG  11          2HH2      ARG  11  -8.900   7.716   5.021
   98   2HH2  ARG  11          1HH2      ARG  11 -10.345   7.945   4.096
   99    H    SER  12           H        SER  12  -2.534   7.665  -1.718
  100    HA   SER  12           HA       SER  12  -0.513   9.657  -0.787
  101   1HB   SER  12          2HB       SER  12  -0.266   7.709  -3.142
  102   2HB   SER  12          1HB       SER  12   0.929   8.911  -2.688
  103    HG   SER  12           HG       SER  12   0.521   6.486  -1.611
  104    H    ALA  13           H        ALA  13  -0.056  11.267  -2.524
  105    HA   ALA  13           HA       ALA  13  -2.319  11.675  -4.444
  106   1HB   ALA  13          1HB       ALA  13  -2.369  14.085  -3.781
  107   2HB   ALA  13          2HB       ALA  13  -1.137  13.780  -2.568
  108   3HB   ALA  13          3HB       ALA  13  -2.737  13.064  -2.402
  109    H    ASP  14           H        ASP  14   0.249  10.614  -4.855
  110    HA   ASP  14           HA       ASP  14   1.401  12.647  -6.709
  111   1HB   ASP  14          1HB       ASP  14   2.914  12.747  -4.922
  112   2HB   ASP  14          2HB       ASP  14   2.760  11.034  -4.550
  113    H    SER  15           H        SER  15   2.046   9.357  -5.834
  114    HA   SER  15           HA       SER  15   1.302   7.422  -7.212
  115   1HB   SER  15          2HB       SER  15   2.522   9.092  -9.504
  116   2HB   SER  15          1HB       SER  15   2.129   7.374  -9.639
  117    HG   SER  15           HG       SER  15   0.146   7.923  -9.866
  118    H    SER  16           H        SER  16   4.324   9.078  -8.195
  119    HA   SER  16           HA       SER  16   6.104   7.010  -8.352
  120   1HB   SER  16          2HB       SER  16   6.740   9.632  -6.875
  121   2HB   SER  16          1HB       SER  16   7.890   8.572  -7.685
  122    HG   SER  16           HG       SER  16   5.837   9.075  -9.332
  123    H    ASN  17           H        ASN  17   5.204   8.569  -5.364
  124    HA   ASN  17           HA       ASN  17   6.730   6.899  -3.598
  125   1HB   ASN  17          1HB       ASN  17   5.870   9.187  -3.018
  126   2HB   ASN  17          2HB       ASN  17   4.233   8.551  -2.989
  127   1HD2  ASN  17          2HD2      ASN  17   6.860   9.238  -1.045
  128   2HD2  ASN  17          1HD2      ASN  17   6.492   8.245   0.281
  129    H    LEU  18           H        LEU  18   3.247   6.838  -4.473
  130    HA   LEU  18           HA       LEU  18   2.543   4.630  -2.857
  131   1HB   LEU  18          1HB       LEU  18   0.941   6.149  -4.228
  132   2HB   LEU  18          2HB       LEU  18   1.430   5.253  -5.661
  133    HG   LEU  18           HG       LEU  18   0.510   3.115  -4.575
  134   1HD1  LEU  18          1HD1      LEU  18   0.685   3.903  -2.189
  135   2HD1  LEU  18          2HD1      LEU  18  -0.945   3.415  -2.592
  136   3HD1  LEU  18          3HD1      LEU  18  -0.541   5.116  -2.517
  137   1HD2  LEU  18          1HD2      LEU  18  -1.835   3.741  -4.979
  138   2HD2  LEU  18          2HD2      LEU  18  -0.802   4.473  -6.187
  139   3HD2  LEU  18          3HD2      LEU  18  -1.420   5.438  -4.859
  140    H    LYS  19           H        LYS  19   3.767   4.719  -6.109
  141    HA   LYS  19           HA       LYS  19   3.714   1.954  -6.705
  142   1HB   LYS  19          1HB       LYS  19   4.398   3.746  -8.371
  143   2HB   LYS  19          2HB       LYS  19   5.817   4.068  -7.411
  144   1HG   LYS  19          2HG       LYS  19   6.397   1.514  -7.856
  145   2HG   LYS  19          1HG       LYS  19   5.161   1.612  -9.087
  146   1HD   LYS  19          2HD       LYS  19   7.179   2.014 -10.252
  147   2HD   LYS  19          1HD       LYS  19   6.494   3.611 -10.051
  148   1HE   LYS  19          2HE       LYS  19   8.529   2.475  -8.081
  149   2HE   LYS  19          1HE       LYS  19   9.018   3.363  -9.508
  150   1HZ   LYS  19          1HZ       LYS  19   7.078   4.878  -8.211
  151   2HZ   LYS  19          2HZ       LYS  19   8.717   5.214  -8.419
  152   3HZ   LYS  19          3HZ       LYS  19   8.210   4.372  -7.040
  153    H    THR  20           H        THR  20   6.470   3.797  -5.459
  154    HA   THR  20           HA       THR  20   8.195   1.748  -4.784
  155    HB   THR  20           HB       THR  20   7.618   4.330  -3.181
  156    HG1  THR  20           HG1      THR  20   8.052   4.773  -5.272
  157   1HG2  THR  20          1HG2      THR  20  10.007   4.159  -2.568
  158   2HG2  THR  20          2HG2      THR  20  10.211   2.718  -3.548
  159   3HG2  THR  20          3HG2      THR  20   9.268   2.649  -2.065
  160    H    HIS  21           H        HIS  21   5.643   3.099  -2.698
  161    HA   HIS  21           HA       HIS  21   5.823   1.440  -0.492
  162   1HB   HIS  21          1HB       HIS  21   4.250   3.162  -0.254
  163   2HB   HIS  21          2HB       HIS  21   3.552   2.942  -1.838
  164    HD1  HIS  21           HD1      HIS  21   3.402   1.432   1.574
  165    HD2  HIS  21           HD2      HIS  21   1.474   1.104  -2.019
  166    HE1  HIS  21           HE1      HIS  21   1.400   0.021   1.955
  167    H    ILE  22           H        ILE  22   3.834   0.814  -3.414
  168    HA   ILE  22           HA       ILE  22   2.955  -1.762  -2.641
  169    HB   ILE  22           HB       ILE  22   3.478  -0.638  -5.458
  170   1HG1  ILE  22          2HG1      ILE  22   0.863  -0.819  -3.871
  171   2HG1  ILE  22          1HG1      ILE  22   1.828   0.628  -3.984
  172   1HG2  ILE  22          1HG2      ILE  22   1.745  -3.011  -4.620
  173   2HG2  ILE  22          2HG2      ILE  22   3.286  -3.147  -5.452
  174   3HG2  ILE  22          3HG2      ILE  22   1.921  -2.395  -6.248
  175   1HD1  ILE  22          1HD1      ILE  22  -0.014   0.694  -5.603
  176   2HD1  ILE  22          2HD1      ILE  22   0.521  -0.801  -6.338
  177   3HD1  ILE  22          3HD1      ILE  22   1.516   0.644  -6.459
  178    H    LYS  23           H        LYS  23   5.584  -0.988  -4.844
  179    HA   LYS  23           HA       LYS  23   6.695  -3.437  -5.347
  180   1HB   LYS  23          1HB       LYS  23   8.206  -0.856  -4.766
  181   2HB   LYS  23          2HB       LYS  23   8.900  -2.245  -5.578
  182   1HG   LYS  23          2HG       LYS  23   6.515  -0.622  -6.585
  183   2HG   LYS  23          1HG       LYS  23   8.142  -0.548  -7.217
  184   1HD   LYS  23          2HD       LYS  23   7.967  -2.971  -7.870
  185   2HD   LYS  23          1HD       LYS  23   6.304  -2.987  -7.304
  186   1HE   LYS  23          2HE       LYS  23   5.713  -1.186  -8.903
  187   2HE   LYS  23          1HE       LYS  23   7.357  -1.208  -9.531
  188   1HZ   LYS  23          1HZ       LYS  23   6.381  -3.830  -9.475
  189   2HZ   LYS  23          2HZ       LYS  23   6.808  -2.888 -10.822
  190   3HZ   LYS  23          3HZ       LYS  23   5.219  -2.844 -10.225
  191    H    THR  24           H        THR  24   6.906  -1.892  -2.230
  192    HA   THR  24           HA       THR  24   8.815  -3.997  -1.331
  193    HB   THR  24           HB       THR  24   9.596  -1.710  -0.887
  194    HG1  THR  24           HG1      THR  24   8.934  -2.277   1.654
  195   1HG2  THR  24          1HG2      THR  24   7.350  -0.559  -0.653
  196   2HG2  THR  24          2HG2      THR  24   8.417  -0.243   0.700
  197   3HG2  THR  24          3HG2      THR  24   7.115  -1.402   0.873
  198    H    LYS  25           H        LYS  25   5.585  -2.691  -0.365
  199    HA   LYS  25           HA       LYS  25   5.449  -4.803   1.720
  200   1HB   LYS  25          1HB       LYS  25   3.528  -2.513   1.060
  201   2HB   LYS  25          2HB       LYS  25   3.284  -3.674   2.355
  202   1HG   LYS  25          2HG       LYS  25   5.544  -1.657   2.126
  203   2HG   LYS  25          1HG       LYS  25   4.228  -1.665   3.275
  204   1HD   LYS  25          2HD       LYS  25   5.093  -3.872   4.198
  205   2HD   LYS  25          1HD       LYS  25   6.475  -3.737   3.124
  206   1HE   LYS  25          2HE       LYS  25   7.143  -2.904   5.304
  207   2HE   LYS  25          1HE       LYS  25   7.086  -1.561   4.171
  208   1HZ   LYS  25          1HZ       LYS  25   4.556  -1.840   5.308
  209   2HZ   LYS  25          2HZ       LYS  25   5.661  -0.559   5.479
  210   3HZ   LYS  25          3HZ       LYS  25   5.696  -1.862   6.567
  211    H    HIS  26           H        HIS  26   4.434  -4.458  -1.477
  212    HA   HIS  26           HA       HIS  26   2.509  -6.720  -1.211
  213   1HB   HIS  26          1HB       HIS  26   2.560  -4.439  -3.239
  214   2HB   HIS  26          2HB       HIS  26   1.368  -5.723  -3.207
  215    HD1  HIS  26           HD1      HIS  26   0.738  -5.733  -0.194
  216    HD2  HIS  26           HD2      HIS  26   1.095  -2.268  -2.323
  217    HE1  HIS  26           HE1      HIS  26  -0.505  -3.988   1.076
  218    H    SER  27           H        SER  27   5.185  -5.262  -2.727
  219    HA   SER  27           HA       SER  27   6.549  -5.834  -4.548
  220   1HB   SER  27          2HB       SER  27   8.066  -7.697  -3.628
  221   2HB   SER  27          1HB       SER  27   7.692  -6.417  -2.465
  222    HG   SER  27           HG       SER  27   7.015  -9.014  -2.396
  223    H    LYS  28           H        LYS  28   4.977  -6.288  -6.089
  224    HA   LYS  28           HA       LYS  28   3.569  -8.031  -7.233
  225   1HB   LYS  28          1HB       LYS  28   6.181  -7.487  -8.684
  226   2HB   LYS  28          2HB       LYS  28   4.634  -7.854  -9.407
  227   1HG   LYS  28          2HG       LYS  28   5.330  -5.353  -7.826
  228   2HG   LYS  28          1HG       LYS  28   5.161  -5.477  -9.561
  229   1HD   LYS  28          2HD       LYS  28   2.736  -6.143  -9.239
  230   2HD   LYS  28          1HD       LYS  28   2.926  -5.835  -7.520
  231   1HE   LYS  28          2HE       LYS  28   3.628  -3.499  -8.013
  232   2HE   LYS  28          1HE       LYS  28   3.428  -3.803  -9.735
  233   1HZ   LYS  28          1HZ       LYS  28   1.312  -3.340  -9.558
  234   2HZ   LYS  28          2HZ       LYS  28   1.518  -2.989  -7.912
  235   3HZ   LYS  28          3HZ       LYS  28   1.075  -4.546  -8.388
  236    H    GLU  29           H        GLU  29   6.828  -8.993  -7.921
  237    HA   GLU  29           HA       GLU  29   6.159 -11.852  -7.340
  238   1HB   GLU  29          1HB       GLU  29   6.068 -11.219  -9.814
  239   2HB   GLU  29          2HB       GLU  29   7.785 -10.886  -9.735
  240   1HG   GLU  29          2HG       GLU  29   8.177 -13.300  -9.012
  241   2HG   GLU  29          1HG       GLU  29   6.450 -13.571  -9.131
  242    H    LYS  30           H        LYS  30   7.330 -10.523  -5.453
  243    HA   LYS  30           HA       LYS  30   9.476  -9.889  -4.475
  244   1HB   LYS  30          1HB       LYS  30   8.734 -12.806  -4.153
  245   2HB   LYS  30          2HB       LYS  30   9.889 -11.996  -3.107
  246   1HG   LYS  30          2HG       LYS  30   8.290 -10.499  -2.258
  247   2HG   LYS  30          1HG       LYS  30   7.147 -10.767  -3.556
  248   1HD   LYS  30          2HD       LYS  30   6.732 -13.077  -2.731
  249   2HD   LYS  30          1HD       LYS  30   7.883 -12.827  -1.426
  250   1HE   LYS  30          2HE       LYS  30   5.419 -11.081  -1.895
  251   2HE   LYS  30          1HE       LYS  30   5.484 -12.394  -0.727
  252   1HZ   LYS  30          1HZ       LYS  30   6.432  -9.762  -0.511
  253   2HZ   LYS  30          2HZ       LYS  30   7.726 -10.827  -0.310
  254   3HZ   LYS  30          3HZ       LYS  30   6.366 -10.971   0.701