*HEADER    VIRAL PROTEIN                           19-MAR-12   2LQY              
*TITLE     STRUCTURE AND ORIENTATION OF THE GH625-644 MEMBRANE INTERACTING REGION
*TITLE    2 OF HERPES SIMPLEX VIRUS TYPE 1 IN A MEMBRANE MIMETIC SYSTEM.         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENVELOPE GLYCOPROTEIN H;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 625-644;                                      
*COMPND   5 SYNONYM: UL22;                                                       
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 1;                            
*SOURCE   4 ORGANISM_COMMON: HHV-1;                                              
*SOURCE   5 ORGANISM_TAXID: 10298;                                               
*SOURCE   6 OTHER_DETAILS: SYNTHESIZED IN THE SOLID PHASE                        
*KEYWDS    VIRAL PROTEIN                                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.ISERNIA, S.GALDIERO, L.RUSSO, A.FALANGA, M.CANTISANI, M.VITIELLO,   
*AUTHOR   2 R.FATTORUSSO, G.MALGIERI, M.GALDIERO                                 
*REVDAT   1   25-APR-12 2LQY    0                                                


  2 GLY  HN      2 GLY  HA2     2.83            #peak     2
  3 LEU  HN      3 LEU  HA      2.90            #peak     5
  3 LEU  HN      3 LEU  QB      4.65            #peak     6
  4 ALA  HN      4 ALA  HA      2.59            #peak    11
  7 LEU  HN      7 LEU  HA      3.52            #peak    15
  9 ARG  HN      9 ARG  HA      2.96            #peak    17
 10 TRP  HN     10 TRP  HB2     2.99            #peak    21
 10 TRP  HN     10 TRP  HB3     3.11            #peak    22
 12 HIS  HN     12 HIS  HB2     3.39            #peak    28
 12 HIS  HN     12 HIS  HB3     4.82            #peak    29
 14 ASN  HN     14 ASN  HA      3.45            #peak    32
 14 ASN  HN     14 ASN  QB      4.25            #peak    33
 16 LEU  HN     16 LEU  QB      4.34            #peak    40
 20 PHE  HN     20 PHE  HB2     3.17            #peak    49
 20 PHE  HN     20 PHE  HB3     2.93            #peak    50
  3 LEU  HN      4 ALA  HN      2.99            #peak    52
  2 GLY  HN      4 ALA  HN      2.86            #peak    53
  2 GLY  HN      5 SER  HN      2.83            #peak    54
  5 SER  HN      6 THR  HN      2.68            #peak    58
  6 THR  HN      6 THR  HA      2.74            #peak    60
 13 TYR  HN     14 ASN  HN      2.82            #peak    62
  9 ARG  HN     10 TRP  HN      2.81            #peak    64
 10 TRP  HN     11 ALA  HN      2.90            #peak    65
 16 LEU  HN     17 ILE  HN      2.83            #peak    66
  7 LEU  HN      8 THR  HN      2.90            #peak    67
 17 ILE  HN     17 ILE  HB      2.55            #peak    72
 14 ASN  HN     15 ALA  HN      2.86            #peak    78
 12 HIS  HN     13 TYR  HN      2.83            #peak    80
  5 SER  HN      5 SER  HB2     2.86            #peak   122
  5 SER  HN      5 SER  HB3     3.08            #peak   123
 13 TYR  HN     13 TYR  QB      4.34            #peak   128
 14 ASN  QB     15 ALA  HN      4.20            #peak   129
 13 TYR  QB     14 ASN  HN      4.10            #peak   130
 10 TRP  QB     11 ALA  HN      4.10            #peak   131
  3 LEU  QB      4 ALA  HN      5.64            #peak   152
 11 ALA  HN     12 HIS  HN      3.11            #peak   159
  9 ARG  HN     11 ALA  HN      4.04            #peak   160
 11 ALA  HN     13 TYR  HN      4.32            #peak   162
 15 ALA  HN     17 ILE  HN      4.20            #peak   164
  2 GLY  HA1     5 SER  HN      2.96            #peak   178
  7 LEU  HN      7 LEU  QB      5.46            #peak   181
 19 ALA  HN     20 PHE  HN      3.08            #peak   183
  9 ARG  QB     10 TRP  HN      5.18            #peak   187
  9 ARG  HN      9 ARG  QB      4.34            #peak   188
 17 ILE  HN     18 ARG  HN      2.80            #peak   190
  6 THR  HA      7 LEU  HN      3.42            #peak   192
  5 SER  HA      7 LEU  HN      4.40            #peak   193
  6 THR  HN      7 LEU  HN      2.96            #peak   194
  3 LEU  HA      6 THR  HN      3.27            #peak   195
  5 SER  HB2     6 THR  HN      3.95            #peak   196
  6 THR  HA      8 THR  HN      3.42            #peak   197
  8 THR  HN     10 TRP  HN      4.20            #peak   198
 10 TRP  HN     12 HIS  HN      4.20            #peak   199
  8 THR  HN      9 ARG  HN      3.08            #peak   203
 18 ARG  HN     18 ARG  HA      3.83            #peak   208
 18 ARG  HN     18 ARG  QB      4.56            #peak   209
 15 ALA  HA     16 LEU  HN      3.61            #peak   212
 16 LEU  HN     18 ARG  HN      4.00            #peak   217
  8 THR  HA      9 ARG  HN      3.39            #peak   226
  8 THR  HB      9 ARG  HN      3.73            #peak   227
 13 TYR  HN     13 TYR  QB      3.27            #peak   237
  4 ALA  HA      5 SER  HN      3.64            #peak   239
  5 SER  HN      5 SER  HA      3.55            #peak   242
  7 LEU  HA      9 ARG  HN      3.98            #peak   255
  4 ALA  HA      7 LEU  QB      4.49            #peak   258
 11 ALA  HA     12 HIS  HN      3.27            #peak   263
  5 SER  HA      8 THR  HN      3.05            #peak   264
  9 ARG  HA     12 HIS  HB2     3.45            #peak   267
 13 TYR  HA     16 LEU  QB      5.58            #peak   274
  3 LEU  HA      3 LEU  QB      5.80            #peak   275
  3 LEU  QB      6 THR  HA      6.02            #peak   276
  7 LEU  HA     10 TRP  HB2     3.52            #peak   278
 13 TYR  QB     14 ASN  HA      5.58            #peak   280
 17 ILE  HA     18 ARG  HN      3.17            #peak   281
  2 GLY  HA1     2 GLY  HA2     3.33            #peak   292
  14 ASN  HA    17 ILE  HA      4.37            #peak   310
 18 ARG  HA     18 ARG  QB      5.21            #peak   312
  9 ARG  HA      9 ARG  QB      5.77            #peak   323
  3 LEU  HN      3 LEU  HG      3.05            #peak     7
 13 TYR  HN     13 TYR  QD      7.95            #peak    61
 17 ILE  HN     17 ILE  HG12    3.05            #peak    74
 17 ILE  HN     17 ILE  HG13    3.48            #peak    75
 10 TRP  HE1    10 TRP  HZ2     2.90            #peak    82
 10 TRP  HE1    10 TRP  HD1     3.02            #peak    83
 13 TYR  QB     13 TYR  QD      8.93            #peak    95
 10 TRP  HN     10 TRP  HD1     4.14            #peak    98
 10 TRP  HE1    10 TRP  HH2     2.99            #peak   100
 10 TRP  HZ2    10 TRP  HD1     3.48            #peak   103
 10 TRP  HB2    10 TRP  HD1     3.33            #peak   104
 10 TRP  HB3    10 TRP  HD1     4.07            #peak   105
 20 PHE  HN     20 PHE  QD      7.01            #peak   106
 20 PHE  HN     20 PHE  QE      8.47            #peak   133
  3 LEU  HG      4 ALA  HN      4.01            #peak   139
  3 LEU  HG      5 SER  HN      4.26            #peak   147
 10 TRP  HD1    11 ALA  HN      4.14            #peak   157
 11 ALA  HN     13 TYR  QD      8.48            #peak   158
 12 HIS  HN     12 HIS  HD2     4.07            #peak   163
 10 TRP  HH2    14 ASN  QB      6.39            #peak   175
 10 TRP  HH2    14 ASN  HN      4.79            #peak   176
  7 LEU  HN      7 LEU  HG      3.89            #peak   180
  9 ARG  HN      9 ARG  QG      5.40            #peak   201
 18 ARG  HN     18 ARG  QG      5.74            #peak   210
  9 ARG  QB     10 TRP  HD1     5.64            #peak   223
 13 TYR  QD     13 TYR  QB      8.38            #peak   238
  4 ALA  HN      4 ALA  QB      5.08            #peak    10
  7 LEU  HN      7 LEU  QD1     4.46            #peak    16
 15 ALA  HN     15 ALA  QB      4.46            #peak    37
 16 LEU  HN     16 LEU  QD1     5.05            #peak    44
 17 ILE  HN     17 ILE  QD1     5.42            #peak    76
  2 GLY  HN      4 ALA  QB      5.33            #peak   146
  5 SER  HN      6 THR  QG2     5.79            #peak   148
 15 ALA  QB     18 ARG  HN      4.95            #peak   166
 15 ALA  QB     17 ILE  HN      5.51            #peak   168
  4 ALA  QB      5 SER  HN      6.07            #peak   179
  7 LEU  QD1     8 THR  HN      6.29            #peak   200
 19 ALA  QB     20 PHE  HN      5.57            #peak   207
 17 ILE  QD1    18 ARG  HN      6.44            #peak   211
 19 ALA  QB     20 PHE  HB2     6.19            #peak   235
 11 ALA  HA     11 ALA  QB      5.02            #peak   259
  4 ALA  HA      4 ALA  QB      4.86            #peak   261
 19 ALA  HN     19 ALA  QB      5.14            #peak   283
  2 GLY  HA2     6 THR  QG2     4.92            #peak   294

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   HIS   1           H        HIS   1  -6.860 -12.388  -3.256
    2    HA   HIS   1           HA       HIS   1  -7.066 -14.513  -5.101
    3    HB2  HIS   1           1HB      HIS   1  -6.741 -11.809  -6.341
    4    HB3  HIS   1           2HB      HIS   1  -5.855 -13.179  -7.039
    5    HD1  HIS   1           1HD      HIS   1  -9.535 -12.418  -6.134
    6    HD2  HIS   1           2HD      HIS   1  -7.165 -14.518  -8.783
    7    HE1  HIS   1           1HE      HIS   1 -11.121 -13.420  -7.866
    8    HE2  HIS   1           2HE      HIS   1  -9.618 -14.704  -9.481
    9    H    GLY   2           H        GLY   2  -4.786 -11.707  -4.872
   10    HA2  GLY   2           1HA      GLY   2  -2.863 -12.938  -3.228
   11    HA3  GLY   2           2HA      GLY   2  -2.390 -13.172  -4.929
   12    H    LEU   3           H        LEU   3  -1.931 -11.432  -6.240
   13    HA   LEU   3           HA       LEU   3  -0.721  -9.190  -5.086
   14    HB2  LEU   3           1HB      LEU   3  -0.323  -8.387  -7.290
   15    HB3  LEU   3           2HB      LEU   3  -0.079 -10.139  -7.258
   16    HG   LEU   3           HG       LEU   3  -2.752  -9.064  -8.112
   17   HD11  LEU   3          1HD1      LEU   3  -1.913  -8.836 -10.432
   18   HD12  LEU   3          2HD1      LEU   3  -1.131  -7.679  -9.329
   19   HD13  LEU   3          3HD1      LEU   3  -0.257  -9.139  -9.854
   20   HD21  LEU   3          3HD2      LEU   3  -1.051 -11.407  -9.056
   21   HD22  LEU   3          1HD2      LEU   3  -2.401 -11.506  -7.899
   22   HD23  LEU   3          2HD2      LEU   3  -2.708 -11.032  -9.586
   23    H    ALA   4           H        ALA   4  -3.962  -9.439  -6.607
   24    HA   ALA   4           HA       ALA   4  -4.779  -6.825  -6.564
   25    HB1  ALA   4           1HB      ALA   4  -6.024  -8.745  -7.509
   26    HB2  ALA   4           2HB      ALA   4  -6.413  -9.292  -5.860
   27    HB3  ALA   4           3HB      ALA   4  -7.048  -7.739  -6.456
   28    H    SER   5           H        SER   5  -4.164  -8.868  -3.823
   29    HA   SER   5           HA       SER   5  -5.443  -7.007  -1.919
   30    HB2  SER   5           1HB      SER   5  -6.002  -9.523  -1.924
   31    HB3  SER   5           2HB      SER   5  -4.350  -9.764  -1.305
   32    HG   SER   5           HG       SER   5  -5.854  -9.519   0.457
   33    H    THR   6           H        THR   6  -2.279  -8.483  -2.895
   34    HA   THR   6           HA       THR   6  -0.614  -7.527  -0.972
   35    HB   THR   6           HB       THR   6  -0.118  -7.534  -3.968
   36    HG1  THR   6           1HG      THR   6   0.641  -9.770  -3.402
   37   HG21  THR   6          3HG2      THR   6   1.738  -6.515  -2.691
   38   HG22  THR   6          1HG2      THR   6   2.206  -8.092  -3.372
   39   HG23  THR   6          2HG2      THR   6   1.805  -7.953  -1.643
   40    H    LEU   7           H        LEU   7  -2.293  -5.604  -3.449
   41    HA   LEU   7           HA       LEU   7  -0.895  -3.152  -2.693
   42    HB2  LEU   7           1HB      LEU   7  -3.144  -3.762  -4.635
   43    HB3  LEU   7           2HB      LEU   7  -2.431  -2.155  -4.394
   44    HG   LEU   7           HG       LEU   7  -0.382  -4.181  -4.861
   45   HD11  LEU   7          1HD1      LEU   7  -0.942  -4.612  -7.235
   46   HD12  LEU   7          2HD1      LEU   7  -2.496  -3.774  -7.014
   47   HD13  LEU   7          3HD1      LEU   7  -2.170  -5.288  -6.138
   48   HD21  LEU   7          3HD2      LEU   7  -1.204  -1.679  -6.390
   49   HD22  LEU   7          1HD2      LEU   7  -0.047  -1.737  -5.039
   50   HD23  LEU   7          2HD2      LEU   7   0.332  -2.559  -6.572
   51    H    THR   8           H        THR   8  -3.263  -4.899  -1.146
   52    HA   THR   8           HA       THR   8  -4.778  -2.570  -0.207
   53    HB   THR   8           HB       THR   8  -5.144  -5.562   0.207
   54    HG1  THR   8           1HG      THR   8  -6.878  -5.177  -1.416
   55   HG21  THR   8          3HG2      THR   8  -6.318  -4.250   1.944
   56   HG22  THR   8          1HG2      THR   8  -7.465  -5.024   0.824
   57   HG23  THR   8          2HG2      THR   8  -7.112  -3.286   0.675
   58    H    ARG   9           H        ARG   9  -2.088  -4.562   0.664
   59    HA   ARG   9           HA       ARG   9  -2.251  -3.755   3.492
   60    HB2  ARG   9           2HB      ARG   9  -1.917  -6.164   2.767
   61    HB3  ARG   9           1HB      ARG   9  -0.307  -5.677   2.188
   62    HG2  ARG   9           1HG      ARG   9   0.292  -4.892   4.435
   63    HG3  ARG   9           2HG      ARG   9  -1.336  -5.290   5.029
   64    HD2  ARG   9           1HD      ARG   9  -0.345  -7.633   3.757
   65    HD3  ARG   9           2HD      ARG   9   0.977  -7.008   4.772
   66    HE   ARG   9           HE       ARG   9  -1.532  -8.136   5.634
   67   HH11  ARG   9          2HH2      ARG   9   0.900  -5.814   6.702
   68   HH12  ARG   9          1HH2      ARG   9   0.514  -6.022   8.378
   69   HH21  ARG   9          2HH1      ARG   9  -1.992  -8.356   7.833
   70   HH22  ARG   9          1HH1      ARG   9  -1.100  -7.435   8.994
   71    H    TRP  10           H        TRP  10   0.425  -3.943   0.951
   72    HA   TRP  10           HA       TRP  10   2.057  -2.084   2.107
   73    HB2  TRP  10           2HB      TRP  10   3.191  -2.961   0.430
   74    HB3  TRP  10           1HB      TRP  10   1.714  -3.381  -0.447
   75    HD1  TRP  10           HD       TRP  10   1.126  -2.029  -2.515
   76    HE1  TRP  10           1HE      TRP  10   2.064   0.016  -3.693
   77    HE3  TRP  10           3HE      TRP  10   4.579  -0.724   0.925
   78    HZ2  TRP  10           2HZ      TRP  10   4.066   1.947  -3.207
   79    HZ3  TRP  10           3HZ      TRP  10   5.774   1.444   0.695
   80    HH2  TRP  10           HH       TRP  10   5.569   2.740  -1.405
   81    H    ALA  11           H        ALA  11  -0.931  -1.393   0.345
   82    HA   ALA  11           HA       ALA  11  -0.536   1.436   0.125
   83    HB1  ALA  11           1HB      ALA  11  -2.977   1.455  -0.345
   84    HB2  ALA  11           2HB      ALA  11  -3.023  -0.288   0.012
   85    HB3  ALA  11           3HB      ALA  11  -2.060   0.315  -1.359
   86    H    HIS  12           H        HIS  12  -0.887  -0.394   2.892
   87    HA   HIS  12           HA       HIS  12  -2.238   1.721   4.430
   88    HB2  HIS  12           2HB      HIS  12  -3.264  -0.336   4.788
   89    HB3  HIS  12           1HB      HIS  12  -1.740  -1.227   4.685
   90    HD1  HIS  12           1HD      HIS  12  -3.825   0.646   7.238
   91    HD2  HIS  12           2HD      HIS  12  -0.336  -1.531   6.889
   92    HE1  HIS  12           1HE      HIS  12  -2.896   0.395   9.606
   93    HE2  HIS  12           2HE      HIS  12  -0.773  -1.006   9.357
   94    H    TYR  13           H        TYR  13   0.872   0.693   3.494
   95    HA   TYR  13           HA       TYR  13   2.232   1.349   6.005
   96    HB2  TYR  13           1HB      TYR  13   2.529  -0.549   3.996
   97    HB3  TYR  13           2HB      TYR  13   3.796   0.637   3.613
   98    HD1  TYR  13           2HD      TYR  13   2.306  -1.036   6.624
   99    HD2  TYR  13           1HD      TYR  13   5.859   0.377   4.665
  100    HE1  TYR  13           2HE      TYR  13   3.676  -2.204   8.302
  101    HE2  TYR  13           1HE      TYR  13   7.251  -0.789   6.348
  102    HH   TYR  13           HH       TYR  13   5.709  -2.431   9.149
  103    H    ASN  14           H        ASN  14   3.023   2.054   2.557
  104    HA   ASN  14           HA       ASN  14   4.179   4.563   3.003
  105    HB2  ASN  14           2HB      ASN  14   4.432   3.125   0.964
  106    HB3  ASN  14           1HB      ASN  14   2.807   3.641   0.468
  107   HD21  ASN  14          2HD2      ASN  14   2.540   5.673  -0.492
  108   HD22  ASN  14          1HD2      ASN  14   3.888   6.748  -0.729
  109    H    ALA  15           H        ALA  15   0.819   3.798   3.303
  110    HA   ALA  15           HA       ALA  15  -0.502   6.067   2.393
  111    HB1  ALA  15           1HB      ALA  15  -1.548   4.048   3.365
  112    HB2  ALA  15           2HB      ALA  15  -2.127   5.539   4.146
  113    HB3  ALA  15           3HB      ALA  15  -0.930   4.511   4.970
  114    H    LEU  16           H        LEU  16   1.722   5.735   5.104
  115    HA   LEU  16           HA       LEU  16   1.268   8.519   5.971
  116    HB2  LEU  16           1HB      LEU  16   2.637   6.131   7.244
  117    HB3  LEU  16           2HB      LEU  16   2.689   7.772   7.924
  118    HG   LEU  16           HG       LEU  16  -0.020   6.827   7.195
  119   HD11  LEU  16          1HD1      LEU  16  -0.240   5.355   9.171
  120   HD12  LEU  16          2HD1      LEU  16   0.928   4.705   7.996
  121   HD13  LEU  16          3HD1      LEU  16   1.506   5.509   9.475
  122   HD21  LEU  16          3HD2      LEU  16   1.169   8.011   9.737
  123   HD22  LEU  16          1HD2      LEU  16   0.433   8.938   8.408
  124   HD23  LEU  16          2HD2      LEU  16  -0.564   7.828   9.378
  125    H    ILE  17           H        ILE  17   3.726   6.359   4.535
  126    HA   ILE  17           HA       ILE  17   5.831   8.348   4.580
  127    HB   ILE  17           HB       ILE  17   5.786   5.738   3.035
  128   HG12  ILE  17          1HG1      ILE  17   6.830   6.010   5.861
  129   HG13  ILE  17          2HG1      ILE  17   5.156   5.522   5.554
  130   HG21  ILE  17          1HG2      ILE  17   7.653   7.331   2.612
  131   HG22  ILE  17          2HG2      ILE  17   8.031   7.330   4.351
  132   HG23  ILE  17          3HG2      ILE  17   8.220   5.839   3.399
  133   HD11  ILE  17          3HD1      ILE  17   5.972   3.564   4.266
  134   HD12  ILE  17          1HD1      ILE  17   6.596   3.561   5.932
  135   HD13  ILE  17          2HD1      ILE  17   7.650   4.060   4.588
  136    H    ARG  18           H        ARG  18   3.046   8.366   2.881
  137    HA   ARG  18           HA       ARG  18   4.105   9.081   0.264
  138    HB2  ARG  18           1HB      ARG  18   1.982   7.746   0.639
  139    HB3  ARG  18           2HB      ARG  18   1.257   9.211   1.333
  140    HG2  ARG  18           1HG      ARG  18   1.772  10.401  -0.831
  141    HG3  ARG  18           2HG      ARG  18   2.295   8.843  -1.505
  142    HD2  ARG  18           2HD      ARG  18   0.142   8.018  -1.624
  143    HD3  ARG  18           1HD      ARG  18  -0.417   8.973  -0.227
  144    HE   ARG  18           HE       ARG  18   0.376  10.479  -2.613
  145   HH11  ARG  18          2HH2      ARG  18  -2.321   9.151  -0.804
  146   HH12  ARG  18          1HH2      ARG  18  -3.495  10.191  -1.546
  147   HH21  ARG  18          2HH1      ARG  18  -1.202  11.885  -3.522
  148   HH22  ARG  18          1HH1      ARG  18  -2.856  11.712  -3.046
  149    H    ALA  19           H        ALA  19   4.038  11.033  -0.616
  150    HA   ALA  19           HA       ALA  19   3.422  13.372   1.111
  151    HB1  ALA  19           1HB      ALA  19   5.254  14.554  -0.071
  152    HB2  ALA  19           2HB      ALA  19   5.834  13.117   0.805
  153    HB3  ALA  19           3HB      ALA  19   5.626  13.059  -0.962
  154    H    PHE  20           H        PHE  20   3.860  12.438  -2.347
  155    HA   PHE  20           HA       PHE  20   1.679  14.298  -3.087
  156    HB2  PHE  20           2HB      PHE  20   3.887  14.884  -3.962
  157    HB3  PHE  20           1HB      PHE  20   4.076  13.256  -4.633
  158    HD1  PHE  20           2HD      PHE  20   1.511  16.038  -4.780
  159    HD2  PHE  20           1HD      PHE  20   3.749  13.033  -6.885
  160    HE1  PHE  20           2HE      PHE  20   0.436  16.723  -6.903
  161    HE2  PHE  20           1HE      PHE  20   2.673  13.720  -9.009
  162    HZ   PHE  20           HZ       PHE  20   1.044  15.591  -9.026
  Start of MODEL    2
    1    H1   HIS   1           H        HIS   1  -7.747 -14.334  -7.227
    2    HA   HIS   1           HA       HIS   1  -8.008 -11.718  -6.176
    3    HB2  HIS   1           1HB      HIS   1 -10.046 -13.080  -5.162
    4    HB3  HIS   1           2HB      HIS   1  -8.807 -13.686  -4.046
    5    HD1  HIS   1           1HD      HIS   1  -7.776 -11.798  -2.379
    6    HD2  HIS   1           2HD      HIS   1 -10.778 -10.559  -4.935
    7    HE1  HIS   1           1HE      HIS   1  -8.647  -9.584  -1.450
    8    HE2  HIS   1           2HE      HIS   1 -10.447  -8.824  -3.091
    9    H    GLY   2           H        GLY   2  -6.018 -11.148  -5.506
   10    HA2  GLY   2           1HA      GLY   2  -4.346 -12.636  -3.783
   11    HA3  GLY   2           2HA      GLY   2  -3.859 -12.944  -5.464
   12    H    LEU   3           H        LEU   3  -3.103 -11.205  -6.780
   13    HA   LEU   3           HA       LEU   3  -1.679  -9.170  -5.497
   14    HB2  LEU   3           1HB      LEU   3  -1.122  -8.315  -7.637
   15    HB3  LEU   3           2HB      LEU   3  -1.109 -10.084  -7.716
   16    HG   LEU   3           HG       LEU   3  -3.612  -8.645  -8.523
   17   HD11  LEU   3          1HD1      LEU   3  -2.709  -8.317 -10.805
   18   HD12  LEU   3          2HD1      LEU   3  -1.105  -8.840 -10.237
   19   HD13  LEU   3          3HD1      LEU   3  -1.829  -7.344  -9.601
   20   HD21  LEU   3          3HD2      LEU   3  -3.744 -10.485 -10.152
   21   HD22  LEU   3          1HD2      LEU   3  -3.520 -11.119  -8.503
   22   HD23  LEU   3          2HD2      LEU   3  -2.146 -11.073  -9.634
   23    H    ALA   4           H        ALA   4  -4.925  -8.970  -7.061
   24    HA   ALA   4           HA       ALA   4  -5.412  -6.291  -6.833
   25    HB1  ALA   4           1HB      ALA   4  -6.897  -7.969  -7.874
   26    HB2  ALA   4           2HB      ALA   4  -7.351  -8.558  -6.258
   27    HB3  ALA   4           3HB      ALA   4  -7.775  -6.902  -6.753
   28    H    SER   5           H        SER   5  -5.050  -8.556  -4.225
   29    HA   SER   5           HA       SER   5  -6.143  -6.746  -2.176
   30    HB2  SER   5           1HB      SER   5  -6.552  -9.359  -2.374
   31    HB3  SER   5           2HB      SER   5  -4.952  -9.444  -1.595
   32    HG   SER   5           HG       SER   5  -6.681  -9.333   0.004
   33    H    THR   6           H        THR   6  -3.072  -8.014  -3.482
   34    HA   THR   6           HA       THR   6  -1.376  -7.381  -1.325
   35    HB   THR   6           HB       THR   6  -0.939  -8.736  -3.514
   36    HG1  THR   6           1HG      THR   6   1.382  -8.234  -3.103
   37   HG21  THR   6          3HG2      THR   6  -0.419  -7.668  -5.410
   38   HG22  THR   6          1HG2      THR   6   0.924  -6.861  -4.563
   39   HG23  THR   6          2HG2      THR   6  -0.679  -6.090  -4.628
   40    H    LEU   7           H        LEU   7  -2.919  -5.384  -3.735
   41    HA   LEU   7           HA       LEU   7  -1.414  -2.973  -3.059
   42    HB2  LEU   7           2HB      LEU   7  -3.743  -3.551  -4.932
   43    HB3  LEU   7           1HB      LEU   7  -2.904  -1.993  -4.794
   44    HG   LEU   7           HG       LEU   7  -1.116  -4.302  -5.243
   45   HD11  LEU   7          1HD1      LEU   7  -1.695  -4.504  -7.641
   46   HD12  LEU   7          2HD1      LEU   7  -3.039  -5.019  -6.595
   47   HD13  LEU   7          3HD1      LEU   7  -3.089  -3.427  -7.390
   48   HD21  LEU   7          3HD2      LEU   7  -0.102  -2.739  -6.856
   49   HD22  LEU   7          1HD2      LEU   7  -0.363  -1.945  -5.285
   50   HD23  LEU   7          2HD2      LEU   7  -1.469  -1.620  -6.642
   51    H    THR   8           H        THR   8  -3.888  -4.647  -1.531
   52    HA   THR   8           HA       THR   8  -5.265  -2.253  -0.533
   53    HB   THR   8           HB       THR   8  -5.872  -5.207  -0.118
   54    HG1  THR   8           1HG      THR   8  -7.471  -4.793  -1.860
   55   HG21  THR   8          3HG2      THR   8  -7.669  -2.757   0.096
   56   HG22  THR   8          1HG2      THR   8  -8.175  -4.449   0.315
   57   HG23  THR   8          2HG2      THR   8  -7.037  -3.704   1.464
   58    H    ARG   9           H        ARG   9  -2.689  -4.464   0.307
   59    HA   ARG   9           HA       ARG   9  -2.917  -3.679   3.132
   60    HB2  ARG   9           2HB      ARG   9  -2.626  -6.075   2.299
   61    HB3  ARG   9           1HB      ARG   9  -0.966  -5.616   1.884
   62    HG2  ARG   9           1HG      ARG   9  -2.032  -5.164   4.668
   63    HG3  ARG   9           2HG      ARG   9  -1.437  -6.759   4.178
   64    HD2  ARG   9           1HD      ARG   9   0.603  -5.056   3.347
   65    HD3  ARG   9           2HD      ARG   9   0.059  -4.330   4.883
   66    HE   ARG   9           HE       ARG   9   0.111  -6.877   5.587
   67   HH11  ARG   9          2HH2      ARG   9   2.602  -5.174   3.768
   68   HH12  ARG   9          1HH2      ARG   9   3.865  -6.241   4.289
   69   HH21  ARG   9          2HH1      ARG   9   1.792  -8.230   6.236
   70   HH22  ARG   9          1HH1      ARG   9   3.403  -7.940   5.676
   71    H    TRP  10           H        TRP  10  -0.314  -3.725   0.540
   72    HA   TRP  10           HA       TRP  10   1.445  -2.053   1.917
   73    HB2  TRP  10           1HB      TRP  10   2.595  -2.868   0.223
   74    HB3  TRP  10           2HB      TRP  10   1.131  -3.240  -0.698
   75    HD1  TRP  10           HD       TRP  10   0.459  -1.633  -2.612
   76    HE1  TRP  10           1HE      TRP  10   1.533   0.380  -3.719
   77    HE3  TRP  10           3HE      TRP  10   4.202  -0.901   0.688
   78    HZ2  TRP  10           2HZ      TRP  10   3.757   2.063  -3.245
   79    HZ3  TRP  10           3HZ      TRP  10   5.605   1.143   0.516
   80    HH2  TRP  10           HH       TRP  10   5.430   2.579  -1.495
   81    H    ALA  11           H        ALA  11  -1.482  -1.243   0.143
   82    HA   ALA  11           HA       ALA  11  -1.055   1.592   0.007
   83    HB1  ALA  11           1HB      ALA  11  -3.520   1.613  -0.457
   84    HB2  ALA  11           2HB      ALA  11  -3.524  -0.150  -0.221
   85    HB3  ALA  11           3HB      ALA  11  -2.573   0.568  -1.543
   86    H    HIS  12           H        HIS  12  -1.422  -0.328   2.751
   87    HA   HIS  12           HA       HIS  12  -2.859   1.787   4.230
   88    HB2  HIS  12           2HB      HIS  12  -2.137  -1.089   4.898
   89    HB3  HIS  12           1HB      HIS  12  -2.959   0.028   5.994
   90    HD1  HIS  12           1HD      HIS  12  -4.639  -2.272   5.653
   91    HD2  HIS  12           2HD      HIS  12  -4.612   0.727   2.826
   92    HE1  HIS  12           1HE      HIS  12  -6.949  -2.290   4.573
   93    HE2  HIS  12           2HE      HIS  12  -6.904  -0.401   2.844
   94    H    TYR  13           H        TYR  13   0.168   1.260   3.257
   95    HA   TYR  13           HA       TYR  13   1.487   2.075   5.777
   96    HB2  TYR  13           1HB      TYR  13   2.230   0.290   3.505
   97    HB3  TYR  13           2HB      TYR  13   3.524   1.270   4.222
   98    HD1  TYR  13           1HD      TYR  13   0.545  -0.626   5.670
   99    HD2  TYR  13           2HD      TYR  13   4.774   0.139   5.681
  100    HE1  TYR  13           1HE      TYR  13   0.825  -2.286   7.452
  101    HE2  TYR  13           2HE      TYR  13   5.083  -1.602   7.400
  102    HH   TYR  13           HH       TYR  13   4.065  -2.892   8.883
  103    H    ASN  14           H        ASN  14   2.461   2.290   2.326
  104    HA   ASN  14           HA       ASN  14   3.612   4.807   2.406
  105    HB2  ASN  14           2HB      ASN  14   3.936   3.209   0.597
  106    HB3  ASN  14           1HB      ASN  14   2.230   3.352   0.132
  107   HD21  ASN  14          2HD2      ASN  14   2.252   4.301  -1.830
  108   HD22  ASN  14          1HD2      ASN  14   2.963   5.871  -2.110
  109    H    ALA  15           H        ALA  15   0.151   4.047   2.402
  110    HA   ALA  15           HA       ALA  15  -0.934   6.390   1.294
  111    HB1  ALA  15           1HB      ALA  15  -2.634   5.836   3.333
  112    HB2  ALA  15           2HB      ALA  15  -2.599   4.925   1.805
  113    HB3  ALA  15           3HB      ALA  15  -1.752   4.293   3.237
  114    H    LEU  16           H        LEU  16   0.332   5.740   4.592
  115    HA   LEU  16           HA       LEU  16   0.110   8.617   5.229
  116    HB2  LEU  16           2HB      LEU  16  -0.744   6.330   6.623
  117    HB3  LEU  16           1HB      LEU  16   0.685   6.911   7.489
  118    HG   LEU  16           HG       LEU  16  -1.383   7.815   8.413
  119   HD11  LEU  16          1HD1      LEU  16   0.697   9.135   8.576
  120   HD12  LEU  16          2HD1      LEU  16  -0.764  10.151   8.555
  121   HD13  LEU  16          3HD1      LEU  16   0.240  10.007   7.093
  122   HD21  LEU  16          3HD2      LEU  16  -1.795   9.241   5.770
  123   HD22  LEU  16          1HD2      LEU  16  -2.733   7.842   6.346
  124   HD23  LEU  16          2HD2      LEU  16  -2.799   9.384   7.234
  125    H    ILE  17           H        ILE  17   2.375   5.934   4.856
  126    HA   ILE  17           HA       ILE  17   4.645   7.434   5.881
  127    HB   ILE  17           HB       ILE  17   4.463   4.794   4.412
  128   HG12  ILE  17          1HG1      ILE  17   3.134   4.601   6.383
  129   HG13  ILE  17          2HG1      ILE  17   4.611   3.650   6.550
  130   HG21  ILE  17          1HG2      ILE  17   6.749   5.752   4.426
  131   HG22  ILE  17          2HG2      ILE  17   6.618   4.206   5.296
  132   HG23  ILE  17          3HG2      ILE  17   6.714   5.732   6.205
  133   HD11  ILE  17          3HD1      ILE  17   4.039   6.320   7.898
  134   HD12  ILE  17          1HD1      ILE  17   4.001   4.716   8.670
  135   HD13  ILE  17          2HD1      ILE  17   5.539   5.378   8.069
  136    H    ARG  18           H        ARG  18   2.828   7.992   3.204
  137    HA   ARG  18           HA       ARG  18   4.652   8.188   1.097
  138    HB2  ARG  18           1HB      ARG  18   1.941   8.993   1.607
  139    HB3  ARG  18           2HB      ARG  18   2.831  10.386   0.946
  140    HG2  ARG  18           1HG      ARG  18   3.778   8.662  -0.771
  141    HG3  ARG  18           2HG      ARG  18   2.417   7.642  -0.267
  142    HD2  ARG  18           2HD      ARG  18   1.550  10.365  -0.835
  143    HD3  ARG  18           1HD      ARG  18   2.406   9.657  -2.219
  144    HE   ARG  18           HE       ARG  18   0.334   7.999  -0.989
  145   HH11  ARG  18          2HH2      ARG  18   1.162  10.205  -3.582
  146   HH12  ARG  18          1HH2      ARG  18  -0.226   9.830  -4.550
  147   HH21  ARG  18          2HH1      ARG  18  -1.521   7.516  -2.304
  148   HH22  ARG  18          1HH1      ARG  18  -1.704   8.312  -3.829
  149    H    ALA  19           H        ALA  19   5.727   9.873   0.234
  150    HA   ALA  19           HA       ALA  19   6.071  12.452   1.331
  151    HB1  ALA  19           1HB      ALA  19   7.290  11.279   3.153
  152    HB2  ALA  19           2HB      ALA  19   8.379  10.556   1.945
  153    HB3  ALA  19           3HB      ALA  19   8.370  12.319   2.193
  154    H    PHE  20           H        PHE  20   8.107   9.888  -0.163
  155    HA   PHE  20           HA       PHE  20   8.376  11.573  -2.586
  156    HB2  PHE  20           1HB      PHE  20  10.270  11.167  -0.617
  157    HB3  PHE  20           2HB      PHE  20  10.717   9.966  -1.845
  158    HD1  PHE  20           2HD      PHE  20   9.410  13.535  -1.959
  159    HD2  PHE  20           1HD      PHE  20  12.415  10.705  -3.159
  160    HE1  PHE  20           2HE      PHE  20  10.571  15.310  -3.233
  161    HE2  PHE  20           1HE      PHE  20  13.570  12.480  -4.448
  162    HZ   PHE  20           HZ       PHE  20  12.645  14.783  -4.492
  Start of MODEL    3
    1    H1   HIS   1           H        HIS   1  -6.452 -14.080  -7.543
    2    HA   HIS   1           HA       HIS   1  -7.119 -11.997  -5.771
    3    HB2  HIS   1           2HB      HIS   1  -8.516 -14.534  -5.217
    4    HB3  HIS   1           1HB      HIS   1  -7.637 -13.856  -3.835
    5    HD1  HIS   1           1HD      HIS   1  -8.256 -10.850  -4.068
    6    HD2  HIS   1           2HD      HIS   1 -10.975 -13.858  -4.852
    7    HE1  HIS   1           1HE      HIS   1 -10.566  -9.796  -3.836
    8    HE2  HIS   1           2HE      HIS   1 -12.211 -11.692  -4.308
    9    H    GLY   2           H        GLY   2  -5.070 -11.420  -5.483
   10    HA2  GLY   2           1HA      GLY   2  -3.358 -12.778  -3.696
   11    HA3  GLY   2           2HA      GLY   2  -2.839 -13.116  -5.360
   12    H    LEU   3           H        LEU   3  -2.180 -11.369  -6.732
   13    HA   LEU   3           HA       LEU   3  -0.811  -9.265  -5.502
   14    HB2  LEU   3           2HB      LEU   3  -0.278  -8.454  -7.668
   15    HB3  LEU   3           1HB      LEU   3  -0.243 -10.224  -7.701
   16    HG   LEU   3           HG       LEU   3  -2.765  -8.839  -8.540
   17   HD11  LEU   3          1HD1      LEU   3  -1.874  -8.602 -10.838
   18   HD12  LEU   3          2HD1      LEU   3  -0.265  -9.093 -10.257
   19   HD13  LEU   3          3HD1      LEU   3  -0.995  -7.575  -9.680
   20   HD21  LEU   3          3HD2      LEU   3  -1.292 -11.303  -9.559
   21   HD22  LEU   3          1HD2      LEU   3  -2.661 -11.311  -8.422
   22   HD23  LEU   3          2HD2      LEU   3  -2.896 -10.745 -10.093
   23    H    ALA   4           H        ALA   4  -4.059  -9.183  -7.065
   24    HA   ALA   4           HA       ALA   4  -4.620  -6.513  -6.882
   25    HB1  ALA   4           1HB      ALA   4  -6.057  -8.244  -7.902
   26    HB2  ALA   4           2HB      ALA   4  -6.967  -7.187  -6.797
   27    HB3  ALA   4           3HB      ALA   4  -6.498  -8.823  -6.278
   28    H    SER   5           H        SER   5  -4.179  -8.722  -4.238
   29    HA   SER   5           HA       SER   5  -5.347  -6.908  -2.235
   30    HB2  SER   5           2HB      SER   5  -5.788  -9.499  -2.423
   31    HB3  SER   5           1HB      SER   5  -4.196  -9.625  -1.636
   32    HG   SER   5           HG       SER   5  -5.873  -9.502  -0.031
   33    H    THR   6           H        THR   6  -2.243  -8.138  -3.493
   34    HA   THR   6           HA       THR   6  -0.574  -7.427  -1.345
   35    HB   THR   6           HB       THR   6  -0.093  -8.799  -3.514
   36    HG1  THR   6           1HG      THR   6   2.211  -8.237  -3.105
   37   HG21  THR   6          3HG2      THR   6   0.398  -7.741  -5.425
   38   HG22  THR   6          1HG2      THR   6   1.720  -6.891  -4.588
   39   HG23  THR   6          2HG2      THR   6   0.099  -6.160  -4.664
   40    H    LEU   7           H        LEU   7  -2.148  -5.499  -3.794
   41    HA   LEU   7           HA       LEU   7  -0.729  -3.041  -3.111
   42    HB2  LEU   7           2HB      LEU   7  -2.960  -3.760  -5.046
   43    HB3  LEU   7           1HB      LEU   7  -2.270  -2.135  -4.873
   44    HG   LEU   7           HG       LEU   7  -0.349  -4.377  -5.323
   45   HD11  LEU   7          1HD1      LEU   7  -0.745  -4.317  -7.766
   46   HD12  LEU   7          2HD1      LEU   7  -2.167  -4.929  -6.889
   47   HD13  LEU   7          3HD1      LEU   7  -2.154  -3.260  -7.507
   48   HD21  LEU   7          3HD2      LEU   7  -0.608  -1.557  -6.453
   49   HD22  LEU   7          1HD2      LEU   7   0.397  -2.029  -5.061
   50   HD23  LEU   7          2HD2      LEU   7   0.775  -2.654  -6.685
   51    H    THR   8           H        THR   8  -3.143  -4.748  -1.555
   52    HA   THR   8           HA       THR   8  -4.629  -2.381  -0.667
   53    HB   THR   8           HB       THR   8  -5.070  -5.353  -0.184
   54    HG1  THR   8           1HG      THR   8  -6.749  -4.979  -1.880
   55   HG21  THR   8          3HG2      THR   8  -6.270  -3.934   1.451
   56   HG22  THR   8          1HG2      THR   8  -7.397  -4.729   0.326
   57   HG23  THR   8          2HG2      THR   8  -6.993  -3.009   0.113
   58    H    ARG   9           H        ARG   9  -2.010  -4.438   0.271
   59    HA   ARG   9           HA       ARG   9  -2.169  -3.627   3.092
   60    HB2  ARG   9           2HB      ARG   9  -0.376  -5.601   1.648
   61    HB3  ARG   9           1HB      ARG   9  -0.285  -5.222   3.381
   62    HG2  ARG   9           1HG      ARG   9  -2.717  -5.923   3.564
   63    HG3  ARG   9           2HG      ARG   9  -2.596  -6.517   1.890
   64    HD2  ARG   9           2HD      ARG   9  -1.717  -8.439   2.679
   65    HD3  ARG   9           1HD      ARG   9  -0.317  -7.516   3.279
   66    HE   ARG   9           HE       ARG   9  -2.596  -8.492   4.790
   67   HH11  ARG   9          2HH2      ARG   9   0.043  -6.140   4.961
   68   HH12  ARG   9          1HH2      ARG   9  -0.035  -6.042   6.689
   69   HH21  ARG   9          2HH1      ARG   9  -2.633  -8.303   7.026
   70   HH22  ARG   9          1HH1      ARG   9  -1.523  -7.245   7.824
   71    H    TRP  10           H        TRP  10   0.388  -3.693   0.456
   72    HA   TRP  10           HA       TRP  10   2.121  -1.947   1.757
   73    HB2  TRP  10           1HB      TRP  10   3.295  -2.792   0.105
   74    HB3  TRP  10           2HB      TRP  10   1.844  -3.244  -0.799
   75    HD1  TRP  10           HD       TRP  10   1.248  -1.859  -2.865
   76    HE1  TRP  10           1HE      TRP  10   2.214   0.175  -4.035
   77    HE3  TRP  10           3HE      TRP  10   4.699  -0.599   0.593
   78    HZ2  TRP  10           2HZ      TRP  10   4.245   2.074  -3.545
   79    HZ3  TRP  10           3HZ      TRP  10   5.931   1.548   0.365
   80    HH2  TRP  10           HH       TRP  10   5.764   2.837  -1.744
   81    H    ALA  11           H        ALA  11  -0.806  -1.228  -0.057
   82    HA   ALA  11           HA       ALA  11  -0.428   1.594  -0.303
   83    HB1  ALA  11           1HB      ALA  11  -2.893   1.570  -0.747
   84    HB2  ALA  11           2HB      ALA  11  -1.943   0.476  -1.782
   85    HB3  ALA  11           3HB      ALA  11  -2.879  -0.179  -0.419
   86    H    HIS  12           H        HIS  12  -0.806  -0.227   2.493
   87    HA   HIS  12           HA       HIS  12  -2.103   1.988   3.964
   88    HB2  HIS  12           2HB      HIS  12  -2.006  -0.981   4.241
   89    HB3  HIS  12           1HB      HIS  12  -1.978  -0.030   5.732
   90    HD1  HIS  12           1HD      HIS  12  -4.347  -1.019   6.283
   91    HD2  HIS  12           2HD      HIS  12  -4.192   1.405   2.949
   92    HE1  HIS  12           1HE      HIS  12  -6.747  -0.258   5.842
   93    HE2  HIS  12           2HE      HIS  12  -6.604   1.246   3.779
   94    H    TYR  13           H        TYR  13   0.866   1.219   2.998
   95    HA   TYR  13           HA       TYR  13   2.184   1.897   5.555
   96    HB2  TYR  13           2HB      TYR  13   2.893   0.144   3.275
   97    HB3  TYR  13           1HB      TYR  13   4.212   1.150   3.914
   98    HD1  TYR  13           2HD      TYR  13   3.473   1.291   6.820
   99    HD2  TYR  13           1HD      TYR  13   3.438  -1.977   4.030
  100    HE1  TYR  13           2HE      TYR  13   4.115  -0.230   8.626
  101    HE2  TYR  13           1HE      TYR  13   4.079  -3.526   5.849
  102    HH   TYR  13           HH       TYR  13   4.299  -2.342   9.241
  103    H    ASN  14           H        ASN  14   2.903   2.323   2.046
  104    HA   ASN  14           HA       ASN  14   4.274   4.738   2.240
  105    HB2  ASN  14           2HB      ASN  14   3.980   4.923  -0.109
  106    HB3  ASN  14           1HB      ASN  14   4.084   3.188   0.248
  107   HD21  ASN  14          2HD2      ASN  14   2.141   5.753  -1.034
  108   HD22  ASN  14          1HD2      ASN  14   0.765   4.771  -1.428
  109    H    ALA  15           H        ALA  15   0.789   4.196   2.637
  110    HA   ALA  15           HA       ALA  15  -0.274   6.650   1.880
  111    HB1  ALA  15           1HB      ALA  15  -1.996   6.157   3.592
  112    HB2  ALA  15           2HB      ALA  15  -1.596   4.731   2.606
  113    HB3  ALA  15           3HB      ALA  15  -0.950   4.880   4.257
  114    H    LEU  16           H        LEU  16   1.450   5.791   4.901
  115    HA   LEU  16           HA       LEU  16   1.513   8.651   5.673
  116    HB2  LEU  16           2HB      LEU  16   0.731   6.460   7.155
  117    HB3  LEU  16           1HB      LEU  16   2.421   6.670   7.642
  118    HG   LEU  16           HG       LEU  16   0.349   8.888   7.697
  119   HD11  LEU  16          1HD1      LEU  16  -0.220   7.035   9.243
  120   HD12  LEU  16          2HD1      LEU  16   1.396   7.167   9.975
  121   HD13  LEU  16          3HD1      LEU  16   0.244   8.516  10.115
  122   HD21  LEU  16          3HD2      LEU  16   3.085   8.709   9.021
  123   HD22  LEU  16          1HD2      LEU  16   2.694   9.696   7.592
  124   HD23  LEU  16          2HD2      LEU  16   1.932  10.058   9.160
  125    H    ILE  17           H        ILE  17   3.529   5.789   4.896
  126    HA   ILE  17           HA       ILE  17   6.001   7.179   5.479
  127    HB   ILE  17           HB       ILE  17   5.537   4.530   4.060
  128   HG12  ILE  17          1HG1      ILE  17   6.186   5.002   6.988
  129   HG13  ILE  17          2HG1      ILE  17   4.539   4.733   6.399
  130   HG21  ILE  17          1HG2      ILE  17   7.821   5.481   3.766
  131   HG22  ILE  17          2HG2      ILE  17   7.980   5.615   5.533
  132   HG23  ILE  17          3HG2      ILE  17   7.838   4.012   4.772
  133   HD11  ILE  17          3HD1      ILE  17   5.206   2.487   5.580
  134   HD12  ILE  17          1HD1      ILE  17   5.495   2.667   7.327
  135   HD13  ILE  17          2HD1      ILE  17   6.856   2.767   6.185
  136    H    ARG  18           H        ARG  18   3.845   7.964   3.190
  137    HA   ARG  18           HA       ARG  18   5.389   8.085   0.832
  138    HB2  ARG  18           2HB      ARG  18   2.791   9.000   1.701
  139    HB3  ARG  18           1HB      ARG  18   3.633  10.305   0.834
  140    HG2  ARG  18           1HG      ARG  18   4.251   8.235  -0.796
  141    HG3  ARG  18           2HG      ARG  18   2.705   7.637  -0.154
  142    HD2  ARG  18           1HD      ARG  18   1.852  10.065  -0.709
  143    HD3  ARG  18           2HD      ARG  18   3.266  10.113  -1.787
  144    HE   ARG  18           HE       ARG  18   2.300   8.471  -3.134
  145   HH11  ARG  18          2HH2      ARG  18   0.262   9.038  -0.326
  146   HH12  ARG  18          1HH2      ARG  18  -1.128   8.271  -1.013
  147   HH21  ARG  18          2HH1      ARG  18   0.432   7.432  -4.003
  148   HH22  ARG  18          1HH1      ARG  18  -1.010   7.360  -3.049
  149    H    ALA  19           H        ALA  19   5.532  10.447  -0.170
  150    HA   ALA  19           HA       ALA  19   6.783  12.369   1.651
  151    HB1  ALA  19           1HB      ALA  19   8.806  12.521   0.220
  152    HB2  ALA  19           2HB      ALA  19   8.635  10.925   0.989
  153    HB3  ALA  19           3HB      ALA  19   8.219  11.134  -0.729
  154    H    PHE  20           H        PHE  20   4.256  12.486   0.421
  155    HA   PHE  20           HA       PHE  20   4.551  14.219  -1.931
  156    HB2  PHE  20           1HB      PHE  20   2.884  12.359  -1.853
  157    HB3  PHE  20           2HB      PHE  20   2.051  13.205  -0.536
  158    HD1  PHE  20           2HD      PHE  20   3.476  14.213  -3.902
  159    HD2  PHE  20           1HD      PHE  20   0.123  14.249  -1.215
  160    HE1  PHE  20           2HE      PHE  20   2.178  15.536  -5.542
  161    HE2  PHE  20           1HE      PHE  20  -1.193  15.530  -2.878
  162    HZ   PHE  20           HZ       PHE  20  -0.164  16.190  -5.037
  Start of MODEL    4
    1    H1   HIS   1           H        HIS   1  -6.874 -11.989  -2.837
    2    HA   HIS   1           HA       HIS   1  -7.114 -13.958  -4.846
    3    HB2  HIS   1           2HB      HIS   1  -6.585 -11.185  -5.892
    4    HB3  HIS   1           1HB      HIS   1  -5.926 -12.612  -6.707
    5    HD1  HIS   1           1HD      HIS   1  -7.418 -12.987  -8.722
    6    HD2  HIS   1           2HD      HIS   1  -9.536 -11.942  -5.337
    7    HE1  HIS   1           1HE      HIS   1  -9.884 -13.044  -9.384
    8    HE2  HIS   1           2HE      HIS   1 -11.156 -12.383  -7.271
    9    H    GLY   2           H        GLY   2  -4.727 -11.250  -4.560
   10    HA2  GLY   2           1HA      GLY   2  -2.863 -12.565  -2.912
   11    HA3  GLY   2           2HA      GLY   2  -2.403 -12.828  -4.611
   12    H    LEU   3           H        LEU   3  -1.857 -11.104  -5.927
   13    HA   LEU   3           HA       LEU   3  -0.554  -8.914  -4.770
   14    HB2  LEU   3           2HB      LEU   3  -0.099  -8.149  -6.978
   15    HB3  LEU   3           1HB      LEU   3   0.037  -9.913  -6.933
   16    HG   LEU   3           HG       LEU   3  -2.566  -8.708  -7.808
   17   HD11  LEU   3          1HD1      LEU   3  -1.706  -8.535 -10.125
   18   HD12  LEU   3          2HD1      LEU   3  -0.874  -7.409  -9.025
   19   HD13  LEU   3          3HD1      LEU   3  -0.068  -8.911  -9.537
   20   HD21  LEU   3          3HD2      LEU   3  -0.974 -11.136  -8.733
   21   HD22  LEU   3          1HD2      LEU   3  -2.331 -11.164  -7.582
   22   HD23  LEU   3          2HD2      LEU   3  -2.608 -10.685  -9.273
   23    H    ALA   4           H        ALA   4  -3.802  -9.034  -6.294
   24    HA   ALA   4           HA       ALA   4  -4.505  -6.383  -6.244
   25    HB1  ALA   4           1HB      ALA   4  -5.818  -8.238  -7.220
   26    HB2  ALA   4           2HB      ALA   4  -6.810  -7.199  -6.169
   27    HB3  ALA   4           3HB      ALA   4  -6.248  -8.784  -5.582
   28    H    SER   5           H        SER   5  -3.985  -8.467  -3.521
   29    HA   SER   5           HA       SER   5  -5.216  -6.603  -1.593
   30    HB2  SER   5           1HB      SER   5  -5.888  -8.990  -1.438
   31    HB3  SER   5           2HB      SER   5  -4.181  -9.437  -1.203
   32    HG   SER   5           HG       SER   5  -5.264  -9.195   0.855
   33    H    THR   6           H        THR   6  -2.062  -8.116  -2.584
   34    HA   THR   6           HA       THR   6  -0.387  -7.156  -0.685
   35    HB   THR   6           HB       THR   6   0.075  -7.221  -3.683
   36    HG1  THR   6           1HG      THR   6   0.903  -9.438  -2.981
   37   HG21  THR   6          3HG2      THR   6   2.053  -7.549  -1.391
   38   HG22  THR   6          1HG2      THR   6   2.415  -7.747  -3.123
   39   HG23  THR   6          2HG2      THR   6   1.952  -6.151  -2.488
   40    H    LEU   7           H        LEU   7  -2.048  -5.199  -3.171
   41    HA   LEU   7           HA       LEU   7  -0.556  -2.818  -2.416
   42    HB2  LEU   7           2HB      LEU   7  -1.379  -1.847  -4.275
   43    HB3  LEU   7           1HB      LEU   7  -1.516  -3.544  -4.750
   44    HG   LEU   7           HG       LEU   7  -3.966  -3.020  -3.558
   45   HD11  LEU   7          1HD1      LEU   7  -4.780  -0.967  -4.675
   46   HD12  LEU   7          2HD1      LEU   7  -3.485  -0.617  -3.506
   47   HD13  LEU   7          3HD1      LEU   7  -3.129  -0.634  -5.250
   48   HD21  LEU   7          3HD2      LEU   7  -4.847  -3.187  -5.838
   49   HD22  LEU   7          1HD2      LEU   7  -3.532  -4.361  -5.586
   50   HD23  LEU   7          2HD2      LEU   7  -3.227  -2.865  -6.501
   51    H    THR   8           H        THR   8  -3.015  -4.486  -0.873
   52    HA   THR   8           HA       THR   8  -4.420  -2.119   0.131
   53    HB   THR   8           HB       THR   8  -4.909  -5.104   0.439
   54    HG1  THR   8           1HG      THR   8  -6.668  -4.542  -1.128
   55   HG21  THR   8          3HG2      THR   8  -6.776  -2.780   1.050
   56   HG22  THR   8          1HG2      THR   8  -7.197  -4.508   1.114
   57   HG23  THR   8          2HG2      THR   8  -6.005  -3.840   2.254
   58    H    ARG   9           H        ARG   9  -1.833  -4.268   0.965
   59    HA   ARG   9           HA       ARG   9  -1.951  -3.547   3.814
   60    HB2  ARG   9           2HB      ARG   9  -0.165  -5.464   2.288
   61    HB3  ARG   9           1HB      ARG   9  -0.050  -5.138   4.029
   62    HG2  ARG   9           2HG      ARG   9  -1.662  -6.640   4.441
   63    HG3  ARG   9           1HG      ARG   9  -2.789  -5.742   3.400
   64    HD2  ARG   9           2HD      ARG   9  -2.574  -8.027   2.571
   65    HD3  ARG   9           1HD      ARG   9  -1.822  -6.907   1.411
   66    HE   ARG   9           HE       ARG   9   0.286  -7.556   2.926
   67   HH11  ARG   9          2HH2      ARG   9  -2.122  -9.648   1.509
   68   HH12  ARG   9          1HH2      ARG   9  -1.062 -11.019   1.379
   69   HH21  ARG   9          2HH1      ARG   9   1.678  -9.354   2.741
   70   HH22  ARG   9          1HH1      ARG   9   1.078 -10.831   2.071
   71    H    TRP  10           H        TRP  10   0.678  -3.583   1.239
   72    HA   TRP  10           HA       TRP  10   2.346  -1.804   2.490
   73    HB2  TRP  10           1HB      TRP  10   3.464  -2.569   0.762
   74    HB3  TRP  10           2HB      TRP  10   1.987  -2.960  -0.130
   75    HD1  TRP  10           HD       TRP  10   1.309  -1.418  -2.063
   76    HE1  TRP  10           1HE      TRP  10   2.273   0.664  -3.150
   77    HE3  TRP  10           3HE      TRP  10   4.925  -0.439   1.318
   78    HZ2  TRP  10           2HZ      TRP  10   4.365   2.484  -2.634
   79    HZ3  TRP  10           3HZ      TRP  10   6.196   1.693   1.165
   80    HH2  TRP  10           HH       TRP  10   5.973   3.110  -0.854
   81    H    ALA  11           H        ALA  11  -0.655  -1.028   0.782
   82    HA   ALA  11           HA       ALA  11  -0.283   1.805   0.678
   83    HB1  ALA  11           1HB      ALA  11  -2.775   1.801   0.330
   84    HB2  ALA  11           2HB      ALA  11  -2.729   0.032   0.509
   85    HB3  ALA  11           3HB      ALA  11  -1.846   0.814  -0.823
   86    H    HIS  12           H        HIS  12  -0.583  -0.147   3.388
   87    HA   HIS  12           HA       HIS  12  -1.894   1.971   4.986
   88    HB2  HIS  12           1HB      HIS  12  -1.802  -0.984   5.037
   89    HB3  HIS  12           2HB      HIS  12  -1.618  -0.207   6.616
   90    HD1  HIS  12           1HD      HIS  12  -3.938  -0.933   7.442
   91    HD2  HIS  12           2HD      HIS  12  -4.036   1.276   3.962
   92    HE1  HIS  12           1HE      HIS  12  -6.372  -0.214   7.127
   93    HE2  HIS  12           2HE      HIS  12  -6.393   1.152   4.969
   94    H    TYR  13           H        TYR  13   1.081   1.344   3.940
   95    HA   TYR  13           HA       TYR  13   2.420   1.895   6.525
   96    HB2  TYR  13           2HB      TYR  13   3.049  -0.221   5.502
   97    HB3  TYR  13           1HB      TYR  13   3.384   0.588   3.956
   98    HD1  TYR  13           2HD      TYR  13   4.341   0.905   7.573
   99    HD2  TYR  13           1HD      TYR  13   5.592   1.175   3.476
  100    HE1  TYR  13           2HE      TYR  13   6.674   1.167   8.319
  101    HE2  TYR  13           1HE      TYR  13   7.944   1.423   4.211
  102    HH   TYR  13           HH       TYR  13   8.740   1.673   7.706
  103    H    ASN  14           H        ASN  14   3.191   2.429   3.045
  104    HA   ASN  14           HA       ASN  14   4.470   4.922   3.356
  105    HB2  ASN  14           2HB      ASN  14   4.344   5.078   0.971
  106    HB3  ASN  14           1HB      ASN  14   4.650   3.383   1.393
  107   HD21  ASN  14          2HD2      ASN  14   3.259   4.900  -0.936
  108   HD22  ASN  14          1HD2      ASN  14   1.768   3.999  -1.099
  109    H    ALA  15           H        ALA  15   1.063   4.183   3.541
  110    HA   ALA  15           HA       ALA  15  -0.238   6.381   2.563
  111    HB1  ALA  15           1HB      ALA  15  -1.298   5.805   5.151
  112    HB2  ALA  15           2HB      ALA  15  -1.876   5.233   3.568
  113    HB3  ALA  15           3HB      ALA  15  -0.674   4.282   4.474
  114    H    LEU  16           H        LEU  16   1.913   6.240   5.328
  115    HA   LEU  16           HA       LEU  16   1.434   9.071   6.012
  116    HB2  LEU  16           1HB      LEU  16   2.839   6.797   7.449
  117    HB3  LEU  16           2HB      LEU  16   2.782   8.469   8.041
  118    HG   LEU  16           HG       LEU  16   0.236   6.996   7.343
  119   HD11  LEU  16          1HD1      LEU  16   1.504   5.535   8.887
  120   HD12  LEU  16          2HD1      LEU  16   1.682   6.898  10.020
  121   HD13  LEU  16          3HD1      LEU  16   0.068   6.233   9.675
  122   HD21  LEU  16          3HD2      LEU  16   0.882   9.180   9.366
  123   HD22  LEU  16          1HD2      LEU  16   0.138   9.435   7.770
  124   HD23  LEU  16          2HD2      LEU  16  -0.733   8.516   9.020
  125    H    ILE  17           H        ILE  17   3.923   6.844   4.745
  126    HA   ILE  17           HA       ILE  17   6.026   8.842   4.728
  127    HB   ILE  17           HB       ILE  17   5.937   6.135   3.386
  128   HG12  ILE  17          1HG1      ILE  17   5.358   5.681   5.646
  129   HG13  ILE  17          2HG1      ILE  17   7.015   5.151   5.351
  130   HG21  ILE  17          1HG2      ILE  17   7.829   7.602   2.744
  131   HG22  ILE  17          2HG2      ILE  17   8.341   7.643   4.447
  132   HG23  ILE  17          3HG2      ILE  17   8.340   6.103   3.554
  133   HD11  ILE  17          3HD1      ILE  17   7.859   7.139   6.576
  134   HD12  ILE  17          1HD1      ILE  17   6.788   6.137   7.585
  135   HD13  ILE  17          2HD1      ILE  17   6.181   7.653   6.875
  136    H    ARG  18           H        ARG  18   3.290   8.769   2.972
  137    HA   ARG  18           HA       ARG  18   4.311  10.277   0.716
  138    HB2  ARG  18           1HB      ARG  18   3.683   7.416   0.564
  139    HB3  ARG  18           2HB      ARG  18   2.637   8.383  -0.498
  140    HG2  ARG  18           2HG      ARG  18   5.643   8.782  -0.444
  141    HG3  ARG  18           1HG      ARG  18   4.888   7.537  -1.465
  142    HD2  ARG  18           1HD      ARG  18   4.044   9.067  -2.923
  143    HD3  ARG  18           2HD      ARG  18   3.601  10.201  -1.626
  144    HE   ARG  18           HE       ARG  18   6.240  10.464  -1.578
  145   HH11  ARG  18          2HH2      ARG  18   4.224  10.279  -4.459
  146   HH12  ARG  18          1HH2      ARG  18   5.230  11.353  -5.375
  147   HH21  ARG  18          2HH1      ARG  18   7.523  11.879  -2.829
  148   HH22  ARG  18          1HH1      ARG  18   7.071  12.227  -4.461
  149    H    ALA  19           H        ALA  19   2.646  11.324  -0.418
  150    HA   ALA  19           HA       ALA  19  -0.045  11.270   0.779
  151    HB1  ALA  19           1HB      ALA  19  -0.061  13.752   0.780
  152    HB2  ALA  19           2HB      ALA  19   1.165  13.075   1.879
  153    HB3  ALA  19           3HB      ALA  19   1.655  13.745   0.305
  154    H    PHE  20           H        PHE  20   0.338   9.859  -1.374
  155    HA   PHE  20           HA       PHE  20   0.084  11.269  -3.873
  156    HB2  PHE  20           1HB      PHE  20   1.162   9.235  -4.031
  157    HB3  PHE  20           2HB      PHE  20   0.033   8.414  -2.947
  158    HD1  PHE  20           2HD      PHE  20   0.260   9.913  -6.397
  159    HD2  PHE  20           1HD      PHE  20  -1.875   7.282  -3.776
  160    HE1  PHE  20           2HE      PHE  20  -1.134   9.135  -8.294
  161    HE2  PHE  20           1HE      PHE  20  -3.314   6.568  -5.637
  162    HZ   PHE  20           HZ       PHE  20  -2.939   7.478  -7.916
  Start of MODEL    5
    1    H1   HIS   1           H        HIS   1  -6.589 -12.222  -3.260
    2    HA   HIS   1           HA       HIS   1  -6.759 -14.386  -5.067
    3    HB2  HIS   1           2HB      HIS   1  -5.924 -11.815  -6.449
    4    HB3  HIS   1           1HB      HIS   1  -5.894 -13.446  -7.140
    5    HD1  HIS   1           1HD      HIS   1  -8.194 -10.567  -6.672
    6    HD2  HIS   1           2HD      HIS   1  -8.386 -14.596  -7.567
    7    HE1  HIS   1           1HE      HIS   1 -10.550 -10.989  -7.550
    8    HE2  HIS   1           2HE      HIS   1 -10.621 -13.483  -8.103
    9    H    GLY   2           H        GLY   2  -4.526 -11.533  -4.834
   10    HA2  GLY   2           2HA      GLY   2  -2.567 -12.734  -3.212
   11    HA3  GLY   2           1HA      GLY   2  -2.098 -12.940  -4.917
   12    H    LEU   3           H        LEU   3  -1.667 -11.175  -6.204
   13    HA   LEU   3           HA       LEU   3  -0.513  -8.916  -5.032
   14    HB2  LEU   3           1HB      LEU   3  -0.136  -8.088  -7.233
   15    HB3  LEU   3           2HB      LEU   3   0.147  -9.835  -7.211
   16    HG   LEU   3           HG       LEU   3  -2.547  -8.808  -8.060
   17   HD11  LEU   3          1HD1      LEU   3  -1.714  -8.565 -10.379
   18   HD12  LEU   3          2HD1      LEU   3  -0.053  -8.840  -9.804
   19   HD13  LEU   3          3HD1      LEU   3  -0.949  -7.395  -9.277
   20   HD21  LEU   3          3HD2      LEU   3  -2.473 -10.773  -9.538
   21   HD22  LEU   3          1HD2      LEU   3  -2.156 -11.245  -7.851
   22   HD23  LEU   3          2HD2      LEU   3  -0.810 -11.122  -9.010
   23    H    ALA   4           H        ALA   4  -3.740  -9.226  -6.554
   24    HA   ALA   4           HA       ALA   4  -4.628  -6.637  -6.494
   25    HB1  ALA   4           1HB      ALA   4  -5.821  -8.581  -7.451
   26    HB2  ALA   4           2HB      ALA   4  -6.871  -7.611  -6.390
   27    HB3  ALA   4           3HB      ALA   4  -6.195  -9.150  -5.806
   28    H    SER   5           H        SER   5  -3.950  -8.679  -3.769
   29    HA   SER   5           HA       SER   5  -5.274  -6.865  -1.849
   30    HB2  SER   5           1HB      SER   5  -5.707  -9.456  -1.961
   31    HB3  SER   5           2HB      SER   5  -4.122  -9.561  -1.153
   32    HG   SER   5           HG       SER   5  -5.839  -9.388   0.418
   33    H    THR   6           H        THR   6  -2.088  -8.290  -2.833
   34    HA   THR   6           HA       THR   6  -0.442  -7.344  -0.890
   35    HB   THR   6           HB       THR   6   0.080  -7.286  -3.882
   36    HG1  THR   6           1HG      THR   6   0.819  -9.527  -3.406
   37   HG21  THR   6          3HG2      THR   6   1.917  -6.297  -2.551
   38   HG22  THR   6          1HG2      THR   6   2.398  -7.854  -3.268
   39   HG23  THR   6          2HG2      THR   6   1.973  -7.761  -1.542
   40    H    LEU   7           H        LEU   7  -2.134  -5.409  -3.341
   41    HA   LEU   7           HA       LEU   7  -0.768  -2.945  -2.575
   42    HB2  LEU   7           2HB      LEU   7  -3.051  -3.560  -4.483
   43    HB3  LEU   7           1HB      LEU   7  -2.281  -1.976  -4.283
   44    HG   LEU   7           HG       LEU   7  -0.615  -4.391  -4.977
   45   HD11  LEU   7          1HD1      LEU   7  -0.957  -3.861  -7.373
   46   HD12  LEU   7          2HD1      LEU   7  -2.174  -2.644  -6.922
   47   HD13  LEU   7          3HD1      LEU   7  -2.472  -4.367  -6.589
   48   HD21  LEU   7          3HD2      LEU   7  -0.367  -1.426  -5.632
   49   HD22  LEU   7          1HD2      LEU   7   0.520  -2.282  -4.348
   50   HD23  LEU   7          2HD2      LEU   7   0.809  -2.694  -6.056
   51    H    THR   8           H        THR   8  -3.125  -4.739  -1.042
   52    HA   THR   8           HA       THR   8  -4.656  -2.439  -0.063
   53    HB   THR   8           HB       THR   8  -4.985  -5.446   0.254
   54    HG1  THR   8           1HG      THR   8  -6.788  -4.973  -1.290
   55   HG21  THR   8          3HG2      THR   8  -6.972  -3.233   0.895
   56   HG22  THR   8          1HG2      THR   8  -7.295  -4.982   0.954
   57   HG23  THR   8          2HG2      THR   8  -6.130  -4.254   2.085
   58    H    ARG   9           H        ARG   9  -1.956  -4.434   0.770
   59    HA   ARG   9           HA       ARG   9  -2.103  -3.659   3.601
   60    HB2  ARG   9           2HB      ARG   9  -0.434  -5.698   2.122
   61    HB3  ARG   9           1HB      ARG   9  -0.129  -5.233   3.810
   62    HG2  ARG   9           1HG      ARG   9  -2.730  -5.715   4.070
   63    HG3  ARG   9           2HG      ARG   9  -2.461  -6.721   2.628
   64    HD2  ARG   9           1HD      ARG   9  -0.355  -7.082   4.629
   65    HD3  ARG   9           2HD      ARG   9  -1.961  -7.452   5.288
   66    HE   ARG   9           HE       ARG   9  -2.096  -9.277   3.947
   67   HH11  ARG   9          2HH2      ARG   9   0.681  -7.456   2.749
   68   HH12  ARG   9          1HH2      ARG   9   1.199  -8.736   1.701
   69   HH21  ARG   9          2HH1      ARG   9  -1.351 -10.907   2.602
   70   HH22  ARG   9          1HH1      ARG   9   0.056 -10.659   1.626
   71    H    TRP  10           H        TRP  10   0.554  -3.756   1.067
   72    HA   TRP  10           HA       TRP  10   2.178  -1.902   2.265
   73    HB2  TRP  10           1HB      TRP  10   3.319  -2.736   0.579
   74    HB3  TRP  10           2HB      TRP  10   1.852  -3.183  -0.304
   75    HD1  TRP  10           HD       TRP  10   1.210  -1.764  -2.336
   76    HE1  TRP  10           1HE      TRP  10   2.150   0.293  -3.490
   77    HE3  TRP  10           3HE      TRP  10   4.717  -0.554   1.082
   78    HZ2  TRP  10           2HZ      TRP  10   4.182   2.194  -2.997
   79    HZ3  TRP  10           3HZ      TRP  10   5.930   1.608   0.876
   80    HH2  TRP  10           HH       TRP  10   5.718   2.937  -1.201
   81    H    ALA  11           H        ALA  11  -0.821  -1.235   0.507
   82    HA   ALA  11           HA       ALA  11  -0.456   1.604   0.322
   83    HB1  ALA  11           1HB      ALA  11  -2.884   1.610  -0.181
   84    HB2  ALA  11           2HB      ALA  11  -1.955   0.479  -1.194
   85    HB3  ALA  11           3HB      ALA  11  -2.929  -0.136   0.162
   86    H    HIS  12           H        HIS  12  -0.781  -0.266   3.071
   87    HA   HIS  12           HA       HIS  12  -2.146   1.880   4.584
   88    HB2  HIS  12           1HB      HIS  12  -2.105  -1.059   4.639
   89    HB3  HIS  12           2HB      HIS  12  -1.815  -0.332   6.231
   90    HD1  HIS  12           1HD      HIS  12  -3.959  -0.071   7.454
   91    HD2  HIS  12           2HD      HIS  12  -4.439   0.397   3.383
   92    HE1  HIS  12           1HE      HIS  12  -6.435   0.444   7.081
   93    HE2  HIS  12           2HE      HIS  12  -6.689   0.723   4.552
   94    H    TYR  13           H        TYR  13   0.846   1.284   3.597
   95    HA   TYR  13           HA       TYR  13   2.162   1.881   6.189
   96    HB2  TYR  13           1HB      TYR  13   2.541  -0.247   4.555
   97    HB3  TYR  13           2HB      TYR  13   3.682   0.899   3.815
   98    HD1  TYR  13           2HD      TYR  13   2.713  -0.825   6.912
   99    HD2  TYR  13           1HD      TYR  13   5.720   1.590   5.022
  100    HE1  TYR  13           2HE      TYR  13   4.331  -1.520   8.637
  101    HE2  TYR  13           1HE      TYR  13   7.352   0.910   6.755
  102    HH   TYR  13           HH       TYR  13   6.318  -1.130   9.529
  103    H    ASN  14           H        ASN  14   2.951   2.293   2.685
  104    HA   ASN  14           HA       ASN  14   4.261   4.700   2.832
  105    HB2  ASN  14           2HB      ASN  14   4.026   3.060   0.894
  106    HB3  ASN  14           1HB      ASN  14   2.502   3.892   0.513
  107   HD21  ASN  14          2HD2      ASN  14   3.249   4.803  -1.478
  108   HD22  ASN  14          1HD2      ASN  14   4.454   6.076  -1.419
  109    H    ALA  15           H        ALA  15   0.836   4.268   3.293
  110    HA   ALA  15           HA       ALA  15  -0.272   6.707   2.582
  111    HB1  ALA  15           1HB      ALA  15  -1.825   6.244   4.458
  112    HB2  ALA  15           2HB      ALA  15  -0.716   4.984   5.048
  113    HB3  ALA  15           3HB      ALA  15  -1.516   4.797   3.469
  114    H    LEU  16           H        LEU  16   2.029   5.983   5.174
  115    HA   LEU  16           HA       LEU  16   1.919   8.763   6.142
  116    HB2  LEU  16           2HB      LEU  16   2.884   6.193   7.341
  117    HB3  LEU  16           1HB      LEU  16   3.594   7.731   7.869
  118    HG   LEU  16           HG       LEU  16   1.070   8.462   8.079
  119   HD11  LEU  16          1HD1      LEU  16   0.115   6.382   7.160
  120   HD12  LEU  16          2HD1      LEU  16   0.834   5.466   8.506
  121   HD13  LEU  16          3HD1      LEU  16  -0.422   6.686   8.829
  122   HD21  LEU  16          3HD2      LEU  16   2.497   6.695  10.090
  123   HD22  LEU  16          1HD2      LEU  16   1.141   7.789  10.456
  124   HD23  LEU  16          2HD2      LEU  16   2.691   8.453   9.888
  125    H    ILE  17           H        ILE  17   4.066   6.444   4.490
  126    HA   ILE  17           HA       ILE  17   6.343   8.248   4.511
  127    HB   ILE  17           HB       ILE  17   5.957   5.689   2.953
  128   HG12  ILE  17          2HG1      ILE  17   5.451   5.050   5.191
  129   HG13  ILE  17          1HG1      ILE  17   7.050   4.446   4.749
  130   HG21  ILE  17          1HG2      ILE  17   7.932   7.061   2.349
  131   HG22  ILE  17          2HG2      ILE  17   8.354   5.454   2.987
  132   HG23  ILE  17          3HG2      ILE  17   8.525   6.894   4.019
  133   HD11  ILE  17          3HD1      ILE  17   6.510   6.838   6.547
  134   HD12  ILE  17          1HD1      ILE  17   7.009   5.214   7.077
  135   HD13  ILE  17          2HD1      ILE  17   8.115   6.210   6.102
  136    H    ARG  18           H        ARG  18   3.554   8.636   3.031
  137    HA   ARG  18           HA       ARG  18   2.845  10.075   1.486
  138    HB2  ARG  18           1HB      ARG  18   5.190  11.104   1.788
  139    HB3  ARG  18           2HB      ARG  18   5.582  10.301   0.257
  140    HG2  ARG  18           2HG      ARG  18   3.069  11.700   0.006
  141    HG3  ARG  18           1HG      ARG  18   4.313  12.799   0.643
  142    HD2  ARG  18           1HD      ARG  18   5.754  11.558  -1.300
  143    HD3  ARG  18           2HD      ARG  18   4.127  11.469  -2.021
  144    HE   ARG  18           HE       ARG  18   5.745  13.804  -1.613
  145   HH11  ARG  18          2HH2      ARG  18   2.353  12.879  -1.707
  146   HH12  ARG  18          1HH2      ARG  18   1.805  14.476  -2.097
  147   HH21  ARG  18          2HH1      ARG  18   4.993  15.866  -2.086
  148   HH22  ARG  18          1HH1      ARG  18   3.298  16.146  -2.306
  149    H    ALA  19           H        ALA  19   1.483   9.007   0.261
  150    HA   ALA  19           HA       ALA  19   2.506   7.332  -1.955
  151    HB1  ALA  19           1HB      ALA  19  -0.095   6.685  -0.600
  152    HB2  ALA  19           2HB      ALA  19   1.426   6.219   0.197
  153    HB3  ALA  19           3HB      ALA  19   1.055   5.613  -1.434
  154    H    PHE  20           H        PHE  20   2.284   9.630  -2.933
  155    HA   PHE  20           HA       PHE  20  -0.260   9.777  -4.356
  156    HB2  PHE  20           1HB      PHE  20  -0.154  11.122  -1.984
  157    HB3  PHE  20           2HB      PHE  20   0.467  12.363  -3.092
  158    HD1  PHE  20           1HD      PHE  20  -0.935  12.884  -5.205
  159    HD2  PHE  20           2HD      PHE  20  -2.467  10.658  -1.864
  160    HE1  PHE  20           1HE      PHE  20  -3.243  13.469  -5.874
  161    HE2  PHE  20           2HE      PHE  20  -4.779  11.255  -2.529
  162    HZ   PHE  20           HZ       PHE  20  -5.171  12.636  -4.552
  Start of MODEL    6
    1    H1   HIS   1           H        HIS   1  -6.312 -14.359  -7.496
    2    HA   HIS   1           HA       HIS   1  -6.847 -12.058  -5.973
    3    HB2  HIS   1           1HB      HIS   1  -7.606 -13.029  -3.832
    4    HB3  HIS   1           2HB      HIS   1  -8.817 -13.116  -5.120
    5    HD1  HIS   1           1HD      HIS   1  -6.518 -15.407  -3.131
    6    HD2  HIS   1           2HD      HIS   1  -9.558 -15.548  -5.921
    7    HE1  HIS   1           1HE      HIS   1  -7.252 -17.850  -3.262
    8    HE2  HIS   1           2HE      HIS   1  -9.087 -17.900  -5.042
    9    H    GLY   2           H        GLY   2  -4.871 -11.423  -5.476
   10    HA2  GLY   2           1HA      GLY   2  -3.121 -12.826  -3.768
   11    HA3  GLY   2           2HA      GLY   2  -2.606 -13.096  -5.447
   12    H    LEU   3           H        LEU   3  -1.981 -11.298  -6.757
   13    HA   LEU   3           HA       LEU   3  -0.643  -9.210  -5.462
   14    HB2  LEU   3           2HB      LEU   3  -0.134  -8.321  -7.604
   15    HB3  LEU   3           1HB      LEU   3  -0.067 -10.088  -7.695
   16    HG   LEU   3           HG       LEU   3  -2.618  -8.723  -8.478
   17   HD11  LEU   3          1HD1      LEU   3  -1.739  -8.397 -10.771
   18   HD12  LEU   3          2HD1      LEU   3  -0.119  -8.879 -10.211
   19   HD13  LEU   3          3HD1      LEU   3  -0.873  -7.393  -9.583
   20   HD21  LEU   3          3HD2      LEU   3  -2.720 -10.580 -10.093
   21   HD22  LEU   3          1HD2      LEU   3  -2.471 -11.195  -8.442
   22   HD23  LEU   3          2HD2      LEU   3  -1.105 -11.126  -9.581
   23    H    ALA   4           H        ALA   4  -3.899  -9.145  -7.012
   24    HA   ALA   4           HA       ALA   4  -4.520  -6.502  -6.713
   25    HB1  ALA   4           1HB      ALA   4  -5.917  -8.219  -7.811
   26    HB2  ALA   4           2HB      ALA   4  -6.352  -8.871  -6.213
   27    HB3  ALA   4           3HB      ALA   4  -6.849  -7.223  -6.669
   28    H    SER   5           H        SER   5  -4.029  -8.800  -4.156
   29    HA   SER   5           HA       SER   5  -5.196  -7.060  -2.089
   30    HB2  SER   5           1HB      SER   5  -5.775  -9.521  -2.183
   31    HB3  SER   5           2HB      SER   5  -4.070  -9.866  -1.805
   32    HG   SER   5           HG       SER   5  -5.371  -9.768   0.144
   33    H    THR   6           H        THR   6  -2.086  -8.201  -3.410
   34    HA   THR   6           HA       THR   6  -0.420  -7.513  -1.256
   35    HB   THR   6           HB       THR   6   0.079  -8.813  -3.463
   36    HG1  THR   6           1HG      THR   6   2.371  -8.233  -3.034
   37   HG21  THR   6          3HG2      THR   6   0.542  -7.684  -5.341
   38   HG22  THR   6          1HG2      THR   6   1.857  -6.845  -4.482
   39   HG23  THR   6          2HG2      THR   6   0.226  -6.133  -4.525
   40    H    LEU   7           H        LEU   7  -2.052  -5.520  -3.645
   41    HA   LEU   7           HA       LEU   7  -0.624  -3.111  -2.816
   42    HB2  LEU   7           2HB      LEU   7  -1.604  -2.061  -4.638
   43    HB3  LEU   7           1HB      LEU   7  -1.306  -3.709  -5.204
   44    HG   LEU   7           HG       LEU   7  -3.900  -3.822  -4.199
   45   HD11  LEU   7          1HD1      LEU   7  -3.941  -1.352  -4.053
   46   HD12  LEU   7          2HD1      LEU   7  -3.529  -1.248  -5.782
   47   HD13  LEU   7          3HD1      LEU   7  -5.083  -1.955  -5.278
   48   HD21  LEU   7          3HD2      LEU   7  -4.538  -4.061  -6.557
   49   HD22  LEU   7          1HD2      LEU   7  -3.017  -4.924  -6.226
   50   HD23  LEU   7          2HD2      LEU   7  -2.985  -3.352  -7.061
   51    H    THR   8           H        THR   8  -3.041  -4.894  -1.366
   52    HA   THR   8           HA       THR   8  -4.560  -2.584  -0.405
   53    HB   THR   8           HB       THR   8  -4.971  -5.548   0.130
   54    HG1  THR   8           1HG      THR   8  -6.501  -5.358  -1.704
   55   HG21  THR   8          3HG2      THR   8  -6.284  -4.017   1.573
   56   HG22  THR   8          1HG2      THR   8  -7.332  -4.903   0.439
   57   HG23  THR   8          2HG2      THR   8  -6.917  -3.202   0.122
   58    H    ARG   9           H        ARG   9  -1.897  -4.615   0.505
   59    HA   ARG   9           HA       ARG   9  -2.102  -3.753   3.320
   60    HB2  ARG   9           1HB      ARG   9  -1.708  -6.176   2.765
   61    HB3  ARG   9           2HB      ARG   9  -0.131  -5.703   2.090
   62    HG2  ARG   9           1HG      ARG   9   0.190  -4.497   4.402
   63    HG3  ARG   9           2HG      ARG   9  -1.098  -5.584   4.952
   64    HD2  ARG   9           2HD      ARG   9   1.304  -6.692   3.502
   65    HD3  ARG   9           1HD      ARG   9   1.414  -6.278   5.223
   66    HE   ARG   9           HE       ARG   9   0.107  -8.062   5.753
   67   HH11  ARG   9          2HH2      ARG   9  -0.124  -7.753   2.250
   68   HH12  ARG   9          1HH2      ARG   9  -0.876  -9.301   2.054
   69   HH21  ARG   9          2HH1      ARG   9  -0.861 -10.060   5.440
   70   HH22  ARG   9          1HH1      ARG   9  -1.293 -10.576   3.846
   71    H    TRP  10           H        TRP  10   0.482  -3.875   0.678
   72    HA   TRP  10           HA       TRP  10   2.209  -2.135   1.983
   73    HB2  TRP  10           2HB      TRP  10   3.388  -2.956   0.312
   74    HB3  TRP  10           1HB      TRP  10   1.930  -3.382  -0.596
   75    HD1  TRP  10           HD       TRP  10   1.340  -1.989  -2.640
   76    HE1  TRP  10           1HE      TRP  10   2.309   0.052  -3.800
   77    HE3  TRP  10           3HE      TRP  10   4.797  -0.755   0.823
   78    HZ2  TRP  10           2HZ      TRP  10   4.326   1.962  -3.286
   79    HZ3  TRP  10           3HZ      TRP  10   6.021   1.397   0.616
   80    HH2  TRP  10           HH       TRP  10   5.837   2.715  -1.476
   81    H    ALA  11           H        ALA  11  -0.731  -1.379   0.189
   82    HA   ALA  11           HA       ALA  11  -0.299   1.454   0.008
   83    HB1  ALA  11           1HB      ALA  11  -2.712   1.522  -0.528
   84    HB2  ALA  11           2HB      ALA  11  -2.823  -0.216  -0.157
   85    HB3  ALA  11           3HB      ALA  11  -1.818   0.342  -1.516
   86    H    HIS  12           H        HIS  12  -0.715  -0.428   2.752
   87    HA   HIS  12           HA       HIS  12  -2.012   1.768   4.250
   88    HB2  HIS  12           2HB      HIS  12  -1.878  -1.215   4.481
   89    HB3  HIS  12           1HB      HIS  12  -1.947  -0.272   5.979
   90    HD1  HIS  12           1HD      HIS  12  -4.284   0.044   6.747
   91    HD2  HIS  12           2HD      HIS  12  -4.035  -0.222   2.636
   92    HE1  HIS  12           1HE      HIS  12  -6.676   0.282   5.870
   93    HE2  HIS  12           2HE      HIS  12  -6.476   0.107   3.326
   94    H    TYR  13           H        TYR  13   0.961   1.067   3.284
   95    HA   TYR  13           HA       TYR  13   2.295   1.600   5.878
   96    HB2  TYR  13           2HB      TYR  13   2.647  -0.469   4.160
   97    HB3  TYR  13           1HB      TYR  13   3.787   0.698   3.455
   98    HD1  TYR  13           2HD      TYR  13   5.700   1.579   4.849
   99    HD2  TYR  13           1HD      TYR  13   2.983  -1.410   6.308
  100    HE1  TYR  13           2HE      TYR  13   7.392   0.853   6.491
  101    HE2  TYR  13           1HE      TYR  13   4.666  -2.141   7.968
  102    HH   TYR  13           HH       TYR  13   7.769  -0.368   8.321
  103    H    ASN  14           H        ASN  14   3.087   2.140   2.381
  104    HA   ASN  14           HA       ASN  14   4.383   4.589   2.698
  105    HB2  ASN  14           1HB      ASN  14   4.286   4.855   0.367
  106    HB3  ASN  14           2HB      ASN  14   4.370   3.104   0.635
  107   HD21  ASN  14          2HD2      ASN  14   2.681   1.791  -0.154
  108   HD22  ASN  14          1HD2      ASN  14   1.227   2.491  -0.810
  109    H    ALA  15           H        ALA  15   0.962   3.991   3.010
  110    HA   ALA  15           HA       ALA  15  -0.269   6.271   2.118
  111    HB1  ALA  15           1HB      ALA  15  -1.872   5.849   3.962
  112    HB2  ALA  15           2HB      ALA  15  -0.700   4.736   4.708
  113    HB3  ALA  15           3HB      ALA  15  -1.406   4.354   3.118
  114    H    LEU  16           H        LEU  16   1.958   5.960   4.822
  115    HA   LEU  16           HA       LEU  16   1.594   8.798   5.559
  116    HB2  LEU  16           1HB      LEU  16   1.545   6.719   7.171
  117    HB3  LEU  16           2HB      LEU  16   3.313   6.840   7.056
  118    HG   LEU  16           HG       LEU  16   1.789   9.360   7.605
  119   HD11  LEU  16          1HD1      LEU  16   1.684   8.825  10.022
  120   HD12  LEU  16          2HD1      LEU  16   0.673   7.718   9.064
  121   HD13  LEU  16          3HD1      LEU  16   2.254   7.174   9.677
  122   HD21  LEU  16          3HD2      LEU  16   4.360   8.172   8.737
  123   HD22  LEU  16          1HD2      LEU  16   4.262   9.355   7.412
  124   HD23  LEU  16          2HD2      LEU  16   3.738   9.810   9.050
  125    H    ILE  17           H        ILE  17   3.969   6.488   4.199
  126    HA   ILE  17           HA       ILE  17   6.142   8.417   4.148
  127    HB   ILE  17           HB       ILE  17   5.926   5.746   2.749
  128   HG12  ILE  17          2HG1      ILE  17   5.419   5.218   5.010
  129   HG13  ILE  17          1HG1      ILE  17   7.068   4.699   4.649
  130   HG21  ILE  17          1HG2      ILE  17   7.835   7.180   2.080
  131   HG22  ILE  17          2HG2      ILE  17   8.405   7.161   3.766
  132   HG23  ILE  17          3HG2      ILE  17   8.332   5.646   2.834
  133   HD11  ILE  17          3HD1      ILE  17   7.973   6.622   5.898
  134   HD12  ILE  17          1HD1      ILE  17   6.912   5.620   6.916
  135   HD13  ILE  17          2HD1      ILE  17   6.317   7.165   6.262
  136    H    ARG  18           H        ARG  18   3.313   8.376   2.454
  137    HA   ARG  18           HA       ARG  18   3.881   8.523  -0.187
  138    HB2  ARG  18           1HB      ARG  18   1.681   8.822   1.342
  139    HB3  ARG  18           2HB      ARG  18   1.949  10.524   0.908
  140    HG2  ARG  18           1HG      ARG  18   2.139   9.715  -1.525
  141    HG3  ARG  18           2HG      ARG  18   1.490   8.162  -0.948
  142    HD2  ARG  18           2HD      ARG  18  -0.127  10.284   0.124
  143    HD3  ARG  18           1HD      ARG  18   0.063  10.549  -1.622
  144    HE   ARG  18           HE       ARG  18  -0.527   7.885  -1.428
  145   HH11  ARG  18          2HH2      ARG  18  -2.159  10.766  -0.265
  146   HH12  ARG  18          1HH2      ARG  18  -3.746  10.076  -0.376
  147   HH21  ARG  18          2HH1      ARG  18  -2.647   7.000  -1.549
  148   HH22  ARG  18          1HH1      ARG  18  -4.002   7.977  -1.097
  149    H    ALA  19           H        ALA  19   4.187  11.115   2.237
  150    HA   ALA  19           HA       ALA  19   4.877  13.262   2.164
  151    HB1  ALA  19           1HB      ALA  19   7.239  13.433   1.434
  152    HB2  ALA  19           2HB      ALA  19   7.091  11.844   0.647
  153    HB3  ALA  19           3HB      ALA  19   6.924  11.981   2.413
  154    H    PHE  20           H        PHE  20   2.897  13.377   0.629
  155    HA   PHE  20           HA       PHE  20   3.690  14.598  -1.945
  156    HB2  PHE  20           2HB      PHE  20   2.293  12.520  -1.957
  157    HB3  PHE  20           1HB      PHE  20   1.023  13.419  -1.103
  158    HD1  PHE  20           1HD      PHE  20   3.034  13.311  -4.234
  159    HD2  PHE  20           2HD      PHE  20  -0.461  14.877  -2.287
  160    HE1  PHE  20           1HE      PHE  20   2.168  14.088  -6.422
  161    HE2  PHE  20           2HE      PHE  20  -1.332  15.652  -4.476
  162    HZ   PHE  20           HZ       PHE  20  -0.000  15.293  -6.540
  Start of MODEL    7
    1    H1   HIS   1           H        HIS   1  -5.988 -12.189  -7.590
    2    HA   HIS   1           HA       HIS   1  -7.210 -11.701  -5.084
    3    HB2  HIS   1           2HB      HIS   1  -8.816 -13.408  -6.132
    4    HB3  HIS   1           1HB      HIS   1  -7.532 -14.597  -5.858
    5    HD1  HIS   1           1HD      HIS   1  -8.761 -15.900  -3.929
    6    HD2  HIS   1           2HD      HIS   1  -8.508 -11.821  -3.335
    7    HE1  HIS   1           1HE      HIS   1  -9.705 -15.462  -1.602
    8    HE2  HIS   1           2HE      HIS   1  -9.539 -12.929  -1.270
    9    H    GLY   2           H        GLY   2  -4.925 -11.011  -5.274
   10    HA2  GLY   2           2HA      GLY   2  -3.186 -12.526  -3.665
   11    HA3  GLY   2           1HA      GLY   2  -2.717 -12.757  -5.364
   12    H    LEU   3           H        LEU   3  -1.949 -10.982  -6.602
   13    HA   LEU   3           HA       LEU   3  -0.594  -8.950  -5.251
   14    HB2  LEU   3           1HB      LEU   3  -0.015  -8.034  -7.360
   15    HB3  LEU   3           2HB      LEU   3   0.023  -9.800  -7.484
   16    HG   LEU   3           HG       LEU   3  -2.504  -8.409  -8.280
   17   HD11  LEU   3          1HD1      LEU   3  -1.585  -7.935 -10.530
   18   HD12  LEU   3          2HD1      LEU   3   0.032  -8.417  -9.964
   19   HD13  LEU   3          3HD1      LEU   3  -0.764  -6.984  -9.269
   20   HD21  LEU   3          3HD2      LEU   3  -0.919 -10.719  -9.476
   21   HD22  LEU   3          1HD2      LEU   3  -2.305 -10.875  -8.371
   22   HD23  LEU   3          2HD2      LEU   3  -2.534 -10.178  -9.993
   23    H    ALA   4           H        ALA   4  -3.827  -8.776  -6.824
   24    HA   ALA   4           HA       ALA   4  -4.352  -6.101  -6.559
   25    HB1  ALA   4           1HB      ALA   4  -5.802  -7.779  -7.647
   26    HB2  ALA   4           2HB      ALA   4  -6.264  -8.404  -6.046
   27    HB3  ALA   4           3HB      ALA   4  -6.706  -6.745  -6.515
   28    H    SER   5           H        SER   5  -3.990  -8.414  -3.993
   29    HA   SER   5           HA       SER   5  -5.087  -6.671  -1.897
   30    HB2  SER   5           1HB      SER   5  -5.776  -8.990  -1.787
   31    HB3  SER   5           2HB      SER   5  -4.091  -9.543  -1.903
   32    HG   SER   5           HG       SER   5  -4.837  -9.566   0.298
   33    H    THR   6           H        THR   6  -1.987  -7.844  -3.249
   34    HA   THR   6           HA       THR   6  -0.316  -7.184  -1.088
   35    HB   THR   6           HB       THR   6   0.155  -8.501  -3.287
   36    HG1  THR   6           1HG      THR   6   2.456  -7.988  -2.857
   37   HG21  THR   6          3HG2      THR   6   0.361  -5.837  -4.368
   38   HG22  THR   6          1HG2      THR   6   1.979  -6.575  -4.311
   39   HG23  THR   6          2HG2      THR   6   0.655  -7.399  -5.170
   40    H    LEU   7           H        LEU   7  -1.879  -5.183  -3.482
   41    HA   LEU   7           HA       LEU   7  -0.513  -2.735  -2.710
   42    HB2  LEU   7           1HB      LEU   7  -0.983  -2.937  -4.980
   43    HB3  LEU   7           2HB      LEU   7  -2.609  -3.564  -4.701
   44    HG   LEU   7           HG       LEU   7  -3.285  -1.297  -3.909
   45   HD11  LEU   7          1HD1      LEU   7  -1.067  -0.394  -3.296
   46   HD12  LEU   7          2HD1      LEU   7  -1.935   0.661  -4.437
   47   HD13  LEU   7          3HD1      LEU   7  -0.610  -0.378  -5.017
   48   HD21  LEU   7          3HD2      LEU   7  -2.191  -1.522  -6.727
   49   HD22  LEU   7          1HD2      LEU   7  -3.401  -0.335  -6.183
   50   HD23  LEU   7          2HD2      LEU   7  -3.783  -2.073  -6.152
   51    H    THR   8           H        THR   8  -2.923  -4.581  -1.175
   52    HA   THR   8           HA       THR   8  -4.377  -2.224  -0.210
   53    HB   THR   8           HB       THR   8  -4.856  -5.205   0.084
   54    HG1  THR   8           1HG      THR   8  -6.619  -4.585  -1.474
   55   HG21  THR   8          3HG2      THR   8  -5.942  -3.967   1.931
   56   HG22  THR   8          1HG2      THR   8  -7.139  -4.619   0.787
   57   HG23  THR   8          2HG2      THR   8  -6.719  -2.889   0.747
   58    H    ARG   9           H        ARG   9  -1.750  -4.254   0.661
   59    HA   ARG   9           HA       ARG   9  -1.879  -3.526   3.511
   60    HB2  ARG   9           2HB      ARG   9  -0.141  -5.452   1.930
   61    HB3  ARG   9           1HB      ARG   9  -0.003  -5.170   3.679
   62    HG2  ARG   9           1HG      ARG   9  -1.988  -6.246   4.152
   63    HG3  ARG   9           2HG      ARG   9  -2.715  -5.824   2.583
   64    HD2  ARG   9           2HD      ARG   9  -1.220  -7.450   1.456
   65    HD3  ARG   9           1HD      ARG   9  -0.503  -7.879   3.031
   66    HE   ARG   9           HE       ARG   9  -3.185  -8.513   2.042
   67   HH11  ARG   9          2HH2      ARG   9  -1.143  -8.406   4.907
   68   HH12  ARG   9          1HH2      ARG   9  -2.097  -9.553   5.789
   69   HH21  ARG   9          2HH1      ARG   9  -4.416 -10.020   3.249
   70   HH22  ARG   9          1HH1      ARG   9  -3.915 -10.453   4.847
   71    H    TRP  10           H        TRP  10   0.654  -3.543   0.850
   72    HA   TRP  10           HA       TRP  10   2.409  -1.835   2.189
   73    HB2  TRP  10           2HB      TRP  10   3.567  -2.699   0.523
   74    HB3  TRP  10           1HB      TRP  10   2.100  -3.083  -0.391
   75    HD1  TRP  10           HD       TRP  10   1.506  -1.611  -2.402
   76    HE1  TRP  10           1HE      TRP  10   2.531   0.423  -3.531
   77    HE3  TRP  10           3HE      TRP  10   5.067  -0.592   1.024
   78    HZ2  TRP  10           2HZ      TRP  10   4.652   2.219  -3.019
   79    HZ3  TRP  10           3HZ      TRP  10   6.366   1.520   0.855
   80    HH2  TRP  10           HH       TRP  10   6.250   2.852  -1.228
   81    H    ALA  11           H        ALA  11  -0.536  -1.064   0.399
   82    HA   ALA  11           HA       ALA  11  -0.062   1.772   0.263
   83    HB1  ALA  11           1HB      ALA  11  -2.422   1.930  -0.349
   84    HB2  ALA  11           2HB      ALA  11  -1.590   0.674  -1.297
   85    HB3  ALA  11           3HB      ALA  11  -2.651   0.212   0.056
   86    H    HIS  12           H        HIS  12  -0.494  -0.133   2.967
   87    HA   HIS  12           HA       HIS  12  -1.839   2.017   4.484
   88    HB2  HIS  12           2HB      HIS  12  -1.826  -0.904   4.495
   89    HB3  HIS  12           1HB      HIS  12  -1.452  -0.232   6.093
   90    HD1  HIS  12           1HD      HIS  12  -3.507   0.292   7.433
   91    HD2  HIS  12           2HD      HIS  12  -4.210   0.386   3.365
   92    HE1  HIS  12           1HE      HIS  12  -5.996   0.818   7.157
   93    HE2  HIS  12           2HE      HIS  12  -6.395   0.856   4.630
   94    H    TYR  13           H        TYR  13   1.183   1.312   3.531
   95    HA   TYR  13           HA       TYR  13   2.516   1.999   6.082
   96    HB2  TYR  13           1HB      TYR  13   3.229   0.457   3.611
   97    HB3  TYR  13           2HB      TYR  13   4.530   1.315   4.462
   98    HD1  TYR  13           1HD      TYR  13   1.569  -0.896   5.368
   99    HD2  TYR  13           2HD      TYR  13   5.697   0.137   5.974
  100    HE1  TYR  13           1HE      TYR  13   1.821  -2.815   6.892
  101    HE2  TYR  13           2HE      TYR  13   5.967  -1.792   7.482
  102    HH   TYR  13           HH       TYR  13   4.916  -3.355   8.645
  103    H    ASN  14           H        ASN  14   3.190   2.495   2.579
  104    HA   ASN  14           HA       ASN  14   4.468   4.992   2.929
  105    HB2  ASN  14           2HB      ASN  14   4.715   3.308   1.038
  106    HB3  ASN  14           1HB      ASN  14   3.203   3.973   0.383
  107   HD21  ASN  14          2HD2      ASN  14   4.926   4.446  -1.453
  108   HD22  ASN  14          1HD2      ASN  14   5.609   6.055  -1.292
  109    H    ALA  15           H        ALA  15   1.137   4.250   3.114
  110    HA   ALA  15           HA       ALA  15  -0.188   6.470   2.086
  111    HB1  ALA  15           1HB      ALA  15  -1.308   5.843   4.611
  112    HB2  ALA  15           2HB      ALA  15  -1.813   5.238   3.015
  113    HB3  ALA  15           3HB      ALA  15  -0.628   4.325   3.978
  114    H    LEU  16           H        LEU  16   1.976   6.228   4.875
  115    HA   LEU  16           HA       LEU  16   1.421   9.024   5.657
  116    HB2  LEU  16           1HB      LEU  16   1.477   6.932   7.259
  117    HB3  LEU  16           2HB      LEU  16   3.238   7.149   7.150
  118    HG   LEU  16           HG       LEU  16   2.520   9.699   7.600
  119   HD11  LEU  16          1HD1      LEU  16   0.722   9.794   9.293
  120   HD12  LEU  16          2HD1      LEU  16   0.388   8.067   9.019
  121   HD13  LEU  16          3HD1      LEU  16   0.126   9.243   7.709
  122   HD21  LEU  16          3HD2      LEU  16   4.170   8.447   8.883
  123   HD22  LEU  16          1HD2      LEU  16   3.078   9.330   9.976
  124   HD23  LEU  16          2HD2      LEU  16   2.876   7.577   9.741
  125    H    ILE  17           H        ILE  17   3.978   6.866   4.348
  126    HA   ILE  17           HA       ILE  17   6.050   8.887   4.477
  127    HB   ILE  17           HB       ILE  17   6.036   6.215   3.063
  128   HG12  ILE  17          2HG1      ILE  17   5.394   5.677   5.287
  129   HG13  ILE  17          1HG1      ILE  17   7.074   5.198   5.027
  130   HG21  ILE  17          1HG2      ILE  17   7.941   7.704   2.519
  131   HG22  ILE  17          2HG2      ILE  17   8.425   6.180   3.301
  132   HG23  ILE  17          3HG2      ILE  17   8.402   7.693   4.238
  133   HD11  ILE  17          3HD1      ILE  17   7.854   7.141   6.330
  134   HD12  ILE  17          1HD1      ILE  17   6.757   6.112   7.281
  135   HD13  ILE  17          2HD1      ILE  17   6.167   7.643   6.592
  136    H    ARG  18           H        ARG  18   3.414   8.876   2.635
  137    HA   ARG  18           HA       ARG  18   2.765  10.085   0.860
  138    HB2  ARG  18           2HB      ARG  18   5.364  11.106   1.062
  139    HB3  ARG  18           1HB      ARG  18   5.233  10.515  -0.607
  140    HG2  ARG  18           1HG      ARG  18   4.459  12.715  -0.763
  141    HG3  ARG  18           2HG      ARG  18   2.959  11.770  -0.649
  142    HD2  ARG  18           1HD      ARG  18   2.455  13.299   0.972
  143    HD3  ARG  18           2HD      ARG  18   3.436  12.223   1.993
  144    HE   ARG  18           HE       ARG  18   5.239  13.951   0.802
  145   HH11  ARG  18          2HH2      ARG  18   2.588  14.234   3.063
  146   HH12  ARG  18          1HH2      ARG  18   3.123  15.743   3.730
  147   HH21  ARG  18          2HH1      ARG  18   5.931  15.963   1.689
  148   HH22  ARG  18          1HH1      ARG  18   5.007  16.689   2.958
  149    H    ALA  19           H        ALA  19   1.803   8.140   0.227
  150    HA   ALA  19           HA       ALA  19   3.169   6.394  -1.616
  151    HB1  ALA  19           1HB      ALA  19   1.481   5.549  -0.025
  152    HB2  ALA  19           2HB      ALA  19   1.057   5.176  -1.713
  153    HB3  ALA  19           3HB      ALA  19   0.229   6.500  -0.860
  154    H    PHE  20           H        PHE  20   0.104   8.238  -2.050
  155    HA   PHE  20           HA       PHE  20   1.038   9.075  -4.728
  156    HB2  PHE  20           1HB      PHE  20  -0.476   6.906  -4.407
  157    HB3  PHE  20           2HB      PHE  20  -1.775   8.117  -4.343
  158    HD1  PHE  20           1HD      PHE  20   1.139   6.968  -6.340
  159    HD2  PHE  20           2HD      PHE  20  -2.589   9.104  -6.355
  160    HE1  PHE  20           1HE      PHE  20   1.188   7.025  -8.820
  161    HE2  PHE  20           2HE      PHE  20  -2.559   9.135  -8.838
  162    HZ   PHE  20           HZ       PHE  20  -0.674   8.093 -10.068
  Start of MODEL    8
    1    H1   HIS   1           H        HIS   1  -8.016 -11.823  -3.629
    2    HA   HIS   1           HA       HIS   1  -8.408 -13.908  -5.492
    3    HB2  HIS   1           1HB      HIS   1  -8.802 -11.566  -6.789
    4    HB3  HIS   1           2HB      HIS   1  -7.047 -11.739  -7.008
    5    HD1  HIS   1           1HD      HIS   1 -10.242 -13.712  -7.692
    6    HD2  HIS   1           2HD      HIS   1  -6.300 -13.429  -8.887
    7    HE1  HIS   1           1HE      HIS   1 -10.023 -15.173  -9.780
    8    HE2  HIS   1           2HE      HIS   1  -7.578 -14.957 -10.486
    9    H    GLY   2           H        GLY   2  -5.902 -11.284  -5.253
   10    HA2  GLY   2           1HA      GLY   2  -4.119 -12.653  -3.568
   11    HA3  GLY   2           2HA      GLY   2  -3.637 -12.953  -5.254
   12    H    LEU   3           H        LEU   3  -2.915 -11.298  -6.549
   13    HA   LEU   3           HA       LEU   3  -1.595  -9.131  -5.380
   14    HB2  LEU   3           1HB      LEU   3  -1.030  -8.408  -7.577
   15    HB3  LEU   3           2HB      LEU   3  -0.936 -10.175  -7.506
   16    HG   LEU   3           HG       LEU   3  -3.503  -8.973  -8.458
   17   HD11  LEU   3          1HD1      LEU   3  -2.588  -8.685 -10.741
   18   HD12  LEU   3          2HD1      LEU   3  -0.955  -9.035 -10.121
   19   HD13  LEU   3          3HD1      LEU   3  -1.820  -7.578  -9.577
   20   HD21  LEU   3          3HD2      LEU   3  -1.811 -11.317  -9.416
   21   HD22  LEU   3          1HD2      LEU   3  -3.198 -11.426  -8.305
   22   HD23  LEU   3          2HD2      LEU   3  -3.444 -10.900  -9.987
   23    H    ALA   4           H        ALA   4  -4.787  -9.179  -6.996
   24    HA   ALA   4           HA       ALA   4  -5.408  -6.509  -7.062
   25    HB1  ALA   4           1HB      ALA   4  -6.764  -8.358  -7.988
   26    HB2  ALA   4           2HB      ALA   4  -7.739  -7.249  -6.996
   27    HB3  ALA   4           3HB      ALA   4  -7.239  -8.825  -6.338
   28    H    SER   5           H        SER   5  -5.020  -8.508  -4.244
   29    HA   SER   5           HA       SER   5  -6.218  -6.498  -2.440
   30    HB2  SER   5           1HB      SER   5  -6.824  -9.066  -2.448
   31    HB3  SER   5           2HB      SER   5  -5.278  -9.225  -1.577
   32    HG   SER   5           HG       SER   5  -7.021  -8.858  -0.079
   33    H    THR   6           H        THR   6  -3.133  -8.199  -3.288
   34    HA   THR   6           HA       THR   6  -1.454  -7.271  -1.363
   35    HB   THR   6           HB       THR   6  -0.910  -7.449  -4.344
   36    HG1  THR   6           1HG      THR   6  -0.264  -9.694  -3.610
   37   HG21  THR   6          3HG2      THR   6   0.986  -6.468  -3.097
   38   HG22  THR   6          1HG2      THR   6   1.372  -8.103  -3.687
   39   HG23  THR   6          2HG2      THR   6   0.961  -7.849  -1.975
   40    H    LEU   7           H        LEU   7  -2.953  -5.330  -3.967
   41    HA   LEU   7           HA       LEU   7  -1.380  -2.991  -3.212
   42    HB2  LEU   7           1HB      LEU   7  -2.283  -1.921  -5.059
   43    HB3  LEU   7           2HB      LEU   7  -2.064  -3.595  -5.589
   44    HG   LEU   7           HG       LEU   7  -4.687  -3.472  -4.570
   45   HD11  LEU   7          1HD1      LEU   7  -5.695  -1.616  -5.863
   46   HD12  LEU   7          2HD1      LEU   7  -4.570  -1.018  -4.621
   47   HD13  LEU   7          3HD1      LEU   7  -4.069  -1.064  -6.328
   48   HD21  LEU   7          3HD2      LEU   7  -3.921  -4.827  -6.467
   49   HD22  LEU   7          1HD2      LEU   7  -5.321  -3.832  -6.930
   50   HD23  LEU   7          2HD2      LEU   7  -3.684  -3.355  -7.439
   51    H    THR   8           H        THR   8  -3.928  -4.500  -1.704
   52    HA   THR   8           HA       THR   8  -5.284  -2.043  -0.864
   53    HB   THR   8           HB       THR   8  -5.868  -4.991  -0.401
   54    HG1  THR   8           1HG      THR   8  -7.553  -4.506  -2.041
   55   HG21  THR   8          3HG2      THR   8  -6.962  -3.595   1.320
   56   HG22  THR   8          1HG2      THR   8  -8.149  -4.294   0.194
   57   HG23  THR   8          2HG2      THR   8  -7.677  -2.584   0.042
   58    H    ARG   9           H        ARG   9  -2.775  -4.201   0.154
   59    HA   ARG   9           HA       ARG   9  -2.928  -3.264   2.940
   60    HB2  ARG   9           1HB      ARG   9  -1.173  -5.382   1.664
   61    HB3  ARG   9           2HB      ARG   9  -1.193  -4.954   3.387
   62    HG2  ARG   9           2HG      ARG   9  -3.663  -5.544   3.401
   63    HG3  ARG   9           1HG      ARG   9  -3.447  -6.178   1.754
   64    HD2  ARG   9           1HD      ARG   9  -3.011  -8.128   2.859
   65    HD3  ARG   9           2HD      ARG   9  -1.384  -7.424   3.016
   66    HE   ARG   9           HE       ARG   9  -2.951  -6.464   5.145
   67   HH11  ARG   9          2HH2      ARG   9  -1.458  -9.468   4.135
   68   HH12  ARG   9          1HH2      ARG   9  -1.467 -10.164   5.725
   69   HH21  ARG   9          2HH1      ARG   9  -2.958  -7.414   7.236
   70   HH22  ARG   9          1HH1      ARG   9  -2.300  -8.999   7.448
   71    H    TRP  10           H        TRP  10  -0.351  -3.558   0.330
   72    HA   TRP  10           HA       TRP  10   1.443  -1.849   1.608
   73    HB2  TRP  10           1HB      TRP  10   2.610  -2.788   0.004
   74    HB3  TRP  10           2HB      TRP  10   1.154  -3.229  -0.900
   75    HD1  TRP  10           HD       TRP  10   0.689  -1.959  -3.061
   76    HE1  TRP  10           1HE      TRP  10   1.709   0.024  -4.277
   77    HE3  TRP  10           3HE      TRP  10   3.994  -0.545   0.486
   78    HZ2  TRP  10           2HZ      TRP  10   3.713   1.945  -3.779
   79    HZ3  TRP  10           3HZ      TRP  10   5.207   1.611   0.230
   80    HH2  TRP  10           HH       TRP  10   5.210   2.724  -1.989
   81    H    ALA  11           H        ALA  11  -1.448  -1.055  -0.252
   82    HA   ALA  11           HA       ALA  11  -0.910   1.742  -0.541
   83    HB1  ALA  11           1HB      ALA  11  -3.364   1.871  -0.995
   84    HB2  ALA  11           2HB      ALA  11  -3.470   0.130  -0.638
   85    HB3  ALA  11           3HB      ALA  11  -2.487   0.699  -2.010
   86    H    HIS  12           H        HIS  12  -1.385   0.002   2.276
   87    HA   HIS  12           HA       HIS  12  -2.648   2.220   3.734
   88    HB2  HIS  12           1HB      HIS  12  -3.776   0.246   4.153
   89    HB3  HIS  12           2HB      HIS  12  -2.313  -0.743   4.090
   90    HD1  HIS  12           1HD      HIS  12  -4.356   1.285   6.544
   91    HD2  HIS  12           2HD      HIS  12  -0.923  -0.997   6.338
   92    HE1  HIS  12           1HE      HIS  12  -3.482   1.087   8.934
   93    HE2  HIS  12           2HE      HIS  12  -1.403  -0.392   8.776
   94    H    TYR  13           H        TYR  13   0.429   1.031   2.874
   95    HA   TYR  13           HA       TYR  13   1.850   1.543   5.353
   96    HB2  TYR  13           1HB      TYR  13   2.182   0.063   2.968
   97    HB3  TYR  13           2HB      TYR  13   3.440   1.316   2.927
   98    HD1  TYR  13           2HD      TYR  13   4.901   1.605   5.028
   99    HD2  TYR  13           1HD      TYR  13   2.380  -1.806   4.352
  100    HE1  TYR  13           2HE      TYR  13   6.368   0.251   6.476
  101    HE2  TYR  13           1HE      TYR  13   3.843  -3.179   5.804
  102    HH   TYR  13           HH       TYR  13   6.572  -1.664   7.582
  103    H    ASN  14           H        ASN  14   2.596   2.726   2.059
  104    HA   ASN  14           HA       ASN  14   3.532   5.258   2.830
  105    HB2  ASN  14           2HB      ASN  14   2.852   3.881   0.293
  106    HB3  ASN  14           1HB      ASN  14   2.911   5.653   0.257
  107   HD21  ASN  14          2HD2      ASN  14   4.638   4.691  -1.289
  108   HD22  ASN  14          1HD2      ASN  14   6.244   4.680  -0.607
  109    H    ALA  15           H        ALA  15   0.258   4.237   2.762
  110    HA   ALA  15           HA       ALA  15  -1.161   6.466   1.905
  111    HB1  ALA  15           1HB      ALA  15  -2.347   5.470   4.304
  112    HB2  ALA  15           2HB      ALA  15  -1.600   4.095   3.457
  113    HB3  ALA  15           3HB      ALA  15  -2.793   5.115   2.618
  114    H    LEU  16           H        LEU  16   0.797   6.046   4.802
  115    HA   LEU  16           HA       LEU  16   0.055   8.726   5.777
  116    HB2  LEU  16           1HB      LEU  16   1.180   6.292   7.097
  117    HB3  LEU  16           2HB      LEU  16   1.573   7.890   7.761
  118    HG   LEU  16           HG       LEU  16  -1.028   8.265   7.552
  119   HD11  LEU  16          1HD1      LEU  16  -1.518   6.120   6.433
  120   HD12  LEU  16          2HD1      LEU  16  -2.367   6.274   7.990
  121   HD13  LEU  16          3HD1      LEU  16  -0.919   5.246   7.863
  122   HD21  LEU  16          3HD2      LEU  16   0.250   8.384   9.614
  123   HD22  LEU  16          1HD2      LEU  16  -1.268   7.494   9.888
  124   HD23  LEU  16          2HD2      LEU  16   0.269   6.608   9.738
  125    H    ILE  17           H        ILE  17   2.807   6.848   4.503
  126    HA   ILE  17           HA       ILE  17   4.734   8.960   4.968
  127    HB   ILE  17           HB       ILE  17   5.036   6.518   3.190
  128   HG12  ILE  17          1HG1      ILE  17   5.753   6.638   6.134
  129   HG13  ILE  17          2HG1      ILE  17   4.198   6.000   5.579
  130   HG21  ILE  17          1HG2      ILE  17   6.813   8.261   3.075
  131   HG22  ILE  17          2HG2      ILE  17   7.036   8.135   4.835
  132   HG23  ILE  17          3HG2      ILE  17   7.418   6.746   3.788
  133   HD11  ILE  17          3HD1      ILE  17   5.386   4.254   4.277
  134   HD12  ILE  17          1HD1      ILE  17   5.799   4.183   6.007
  135   HD13  ILE  17          2HD1      ILE  17   6.944   4.900   4.849
  136    H    ARG  18           H        ARG  18   2.158   8.931   3.006
  137    HA   ARG  18           HA       ARG  18   1.382  10.188   1.390
  138    HB2  ARG  18           1HB      ARG  18   2.960  11.893   2.295
  139    HB3  ARG  18           2HB      ARG  18   4.144  11.375   1.083
  140    HG2  ARG  18           1HG      ARG  18   2.868  12.238  -0.701
  141    HG3  ARG  18           2HG      ARG  18   1.369  12.271   0.271
  142    HD2  ARG  18           2HD      ARG  18   2.271  14.000   1.717
  143    HD3  ARG  18           1HD      ARG  18   3.869  13.879   0.944
  144    HE   ARG  18           HE       ARG  18   1.714  14.483  -0.887
  145   HH11  ARG  18          2HH2      ARG  18   3.966  15.936   1.376
  146   HH12  ARG  18          1HH2      ARG  18   3.994  17.474   0.579
  147   HH21  ARG  18          2HH1      ARG  18   1.775  16.506  -1.929
  148   HH22  ARG  18          1HH1      ARG  18   2.747  17.785  -1.282
  149    H    ALA  19           H        ALA  19   4.670   9.217   0.496
  150    HA   ALA  19           HA       ALA  19   4.142   7.293  -1.384
  151    HB1  ALA  19           1HB      ALA  19   3.168   8.997  -2.886
  152    HB2  ALA  19           2HB      ALA  19   4.694   8.356  -3.541
  153    HB3  ALA  19           3HB      ALA  19   4.662   9.958  -2.765
  154    H    PHE  20           H        PHE  20   6.293  10.213  -1.364
  155    HA   PHE  20           HA       PHE  20   8.529  10.442  -1.466
  156    HB2  PHE  20           2HB      PHE  20   8.517  10.300   0.842
  157    HB3  PHE  20           1HB      PHE  20   8.022   8.600   0.844
  158    HD1  PHE  20           1HD      PHE  20  10.941  10.860   0.196
  159    HD2  PHE  20           2HD      PHE  20   9.600   6.832   0.831
  160    HE1  PHE  20           1HE      PHE  20  13.290  10.123   0.478
  161    HE2  PHE  20           2HE      PHE  20  11.949   6.091   1.117
  162    HZ   PHE  20           HZ       PHE  20  13.799   7.736   0.933
  Start of MODEL    9
    1    H1   HIS   1           H        HIS   1  -6.099 -13.633  -7.060
    2    HA   HIS   1           HA       HIS   1  -7.375 -12.839  -4.687
    3    HB2  HIS   1           2HB      HIS   1  -7.838 -15.099  -3.671
    4    HB3  HIS   1           1HB      HIS   1  -8.967 -14.547  -4.918
    5    HD1  HIS   1           1HD      HIS   1  -5.676 -16.381  -5.622
    6    HD2  HIS   1           2HD      HIS   1  -9.770 -16.779  -5.938
    7    HE1  HIS   1           1HE      HIS   1  -6.080 -18.348  -7.218
    8    HE2  HIS   1           2HE      HIS   1  -8.625 -18.539  -7.388
    9    H    GLY   2           H        GLY   2  -5.170 -11.977  -4.980
   10    HA2  GLY   2           2HA      GLY   2  -3.294 -13.066  -3.190
   11    HA3  GLY   2           1HA      GLY   2  -2.811 -13.509  -4.845
   12    H    LEU   3           H        LEU   3  -2.276 -11.909  -6.354
   13    HA   LEU   3           HA       LEU   3  -1.002  -9.616  -5.402
   14    HB2  LEU   3           1HB      LEU   3  -0.576  -9.021  -7.666
   15    HB3  LEU   3           2HB      LEU   3  -0.396 -10.772  -7.480
   16    HG   LEU   3           HG       LEU   3  -3.023  -9.674  -8.440
   17   HD11  LEU   3          1HD1      LEU   3  -2.170  -9.693 -10.766
   18   HD12  LEU   3          2HD1      LEU   3  -0.530 -10.010 -10.154
   19   HD13  LEU   3          3HD1      LEU   3  -1.341  -8.473  -9.770
   20   HD21  LEU   3          3HD2      LEU   3  -1.418 -12.160  -9.160
   21   HD22  LEU   3          1HD2      LEU   3  -2.773 -12.099  -8.007
   22   HD23  LEU   3          2HD2      LEU   3  -3.057 -11.768  -9.732
   23    H    ALA   4           H        ALA   4  -4.248  -9.876  -6.903
   24    HA   ALA   4           HA       ALA   4  -4.981  -7.245  -7.073
   25    HB1  ALA   4           1HB      ALA   4  -6.277  -9.196  -7.867
   26    HB2  ALA   4           2HB      ALA   4  -6.690  -9.595  -6.181
   27    HB3  ALA   4           3HB      ALA   4  -7.274  -8.077  -6.906
   28    H    SER   5           H        SER   5  -4.455  -9.089  -4.179
   29    HA   SER   5           HA       SER   5  -5.641  -7.045  -2.411
   30    HB2  SER   5           2HB      SER   5  -5.661  -9.886  -2.359
   31    HB3  SER   5           1HB      SER   5  -4.596  -9.355  -1.033
   32    HG   SER   5           HG       SER   5  -6.765  -9.359  -0.279
   33    H    THR   6           H        THR   6  -2.536  -8.701  -3.272
   34    HA   THR   6           HA       THR   6  -0.837  -7.661  -1.429
   35    HB   THR   6           HB       THR   6  -0.308  -7.922  -4.406
   36    HG1  THR   6           1HG      THR   6   0.298 -10.149  -3.704
   37   HG21  THR   6          3HG2      THR   6   1.542  -8.284  -2.013
   38   HG22  THR   6          1HG2      THR   6   1.970  -8.563  -3.718
   39   HG23  THR   6          2HG2      THR   6   1.579  -6.920  -3.157
   40    H    LEU   7           H        LEU   7  -2.406  -5.867  -4.075
   41    HA   LEU   7           HA       LEU   7  -0.919  -3.436  -3.492
   42    HB2  LEU   7           2HB      LEU   7  -2.958  -4.312  -5.499
   43    HB3  LEU   7           1HB      LEU   7  -2.730  -2.576  -5.190
   44    HG   LEU   7           HG       LEU   7  -0.231  -4.148  -5.512
   45   HD11  LEU   7          1HD1      LEU   7  -0.420  -4.207  -7.980
   46   HD12  LEU   7          2HD1      LEU   7  -1.656  -5.231  -7.210
   47   HD13  LEU   7          3HD1      LEU   7  -2.102  -3.636  -7.862
   48   HD21  LEU   7          3HD2      LEU   7  -1.279  -1.542  -6.699
   49   HD22  LEU   7          1HD2      LEU   7   0.389  -2.147  -6.836
   50   HD23  LEU   7          2HD2      LEU   7  -0.264  -1.693  -5.244
   51    H    THR   8           H        THR   8  -3.386  -4.935  -1.852
   52    HA   THR   8           HA       THR   8  -4.732  -2.465  -1.015
   53    HB   THR   8           HB       THR   8  -5.341  -5.406  -0.533
   54    HG1  THR   8           1HG      THR   8  -7.048  -4.892  -2.166
   55   HG21  THR   8          3HG2      THR   8  -7.118  -2.970  -0.108
   56   HG22  THR   8          1HG2      THR   8  -7.611  -4.672   0.069
   57   HG23  THR   8          2HG2      THR   8  -6.405  -3.974   1.177
   58    H    ARG   9           H        ARG   9  -2.258  -4.703  -0.036
   59    HA   ARG   9           HA       ARG   9  -2.357  -3.902   2.766
   60    HB2  ARG   9           1HB      ARG   9  -0.626  -5.834   1.211
   61    HB3  ARG   9           2HB      ARG   9  -0.353  -5.442   2.924
   62    HG2  ARG   9           1HG      ARG   9  -3.049  -5.957   2.913
   63    HG3  ARG   9           2HG      ARG   9  -2.473  -7.085   1.662
   64    HD2  ARG   9           1HD      ARG   9  -0.895  -8.092   3.192
   65    HD3  ARG   9           2HD      ARG   9  -1.196  -6.833   4.416
   66    HE   ARG   9           HE       ARG   9  -2.842  -9.135   3.786
   67   HH11  ARG   9          2HH2      ARG   9  -2.980  -5.942   5.312
   68   HH12  ARG   9          1HH2      ARG   9  -4.386  -6.340   6.240
   69   HH21  ARG   9          2HH1      ARG   9  -4.680  -9.566   5.013
   70   HH22  ARG   9          1HH1      ARG   9  -5.327  -8.351   6.061
   71    H    TRP  10           H        TRP  10   0.167  -3.780   0.127
   72    HA   TRP  10           HA       TRP  10   1.883  -2.049   1.497
   73    HB2  TRP  10           1HB      TRP  10   3.057  -2.799  -0.205
   74    HB3  TRP  10           2HB      TRP  10   1.603  -3.268  -1.098
   75    HD1  TRP  10           HD       TRP  10   0.881  -1.786  -3.081
   76    HE1  TRP  10           1HE      TRP  10   1.786   0.309  -4.194
   77    HE3  TRP  10           3HE      TRP  10   4.451  -0.642   0.301
   78    HZ2  TRP  10           2HZ      TRP  10   3.810   2.214  -3.686
   79    HZ3  TRP  10           3HZ      TRP  10   5.644   1.529   0.132
   80    HH2  TRP  10           HH       TRP  10   5.374   2.920  -1.904
   81    H    ALA  11           H        ALA  11  -1.083  -1.365  -0.256
   82    HA   ALA  11           HA       ALA  11  -0.858   1.468  -0.418
   83    HB1  ALA  11           1HB      ALA  11  -3.404   1.235  -0.647
   84    HB2  ALA  11           2HB      ALA  11  -3.127  -0.521  -0.560
   85    HB3  ALA  11           3HB      ALA  11  -2.390   0.433  -1.870
   86    H    HIS  12           H        HIS  12  -1.090  -0.487   2.337
   87    HA   HIS  12           HA       HIS  12  -2.388   1.627   3.936
   88    HB2  HIS  12           1HB      HIS  12  -2.314  -1.328   3.981
   89    HB3  HIS  12           2HB      HIS  12  -2.114  -0.555   5.567
   90    HD1  HIS  12           1HD      HIS  12  -4.157   0.865   6.412
   91    HD2  HIS  12           2HD      HIS  12  -4.753  -1.091   2.825
   92    HE1  HIS  12           1HE      HIS  12  -6.681   0.909   5.985
   93    HE2  HIS  12           2HE      HIS  12  -7.006  -0.322   3.767
   94    H    TYR  13           H        TYR  13   0.583   1.007   2.892
   95    HA   TYR  13           HA       TYR  13   1.959   1.580   5.447
   96    HB2  TYR  13           1HB      TYR  13   2.650   0.062   2.987
   97    HB3  TYR  13           2HB      TYR  13   3.956   1.024   3.709
   98    HD1  TYR  13           1HD      TYR  13   3.486   0.835   6.590
   99    HD2  TYR  13           2HD      TYR  13   3.001  -2.127   3.515
  100    HE1  TYR  13           1HE      TYR  13   4.131  -0.920   8.196
  101    HE2  TYR  13           2HE      TYR  13   3.680  -3.890   5.102
  102    HH   TYR  13           HH       TYR  13   4.027  -4.383   7.241
  103    H    ASN  14           H        ASN  14   2.538   2.267   1.948
  104    HA   ASN  14           HA       ASN  14   3.904   4.651   2.300
  105    HB2  ASN  14           2HB      ASN  14   3.963   3.528   0.187
  106    HB3  ASN  14           1HB      ASN  14   2.211   3.730  -0.030
  107   HD21  ASN  14          2HD2      ASN  14   5.101   5.849   0.695
  108   HD22  ASN  14          1HD2      ASN  14   4.539   7.110  -0.352
  109    H    ALA  15           H        ALA  15   0.461   4.129   2.726
  110    HA   ALA  15           HA       ALA  15  -0.630   6.642   2.369
  111    HB1  ALA  15           1HB      ALA  15  -2.195   5.927   4.157
  112    HB2  ALA  15           2HB      ALA  15  -1.091   4.591   4.564
  113    HB3  ALA  15           3HB      ALA  15  -1.882   4.637   2.970
  114    H    LEU  16           H        LEU  16   1.654   5.597   4.874
  115    HA   LEU  16           HA       LEU  16   1.510   8.216   6.218
  116    HB2  LEU  16           2HB      LEU  16   2.038   5.507   7.080
  117    HB3  LEU  16           1HB      LEU  16   3.401   6.569   7.493
  118    HG   LEU  16           HG       LEU  16   1.475   8.198   8.269
  119   HD11  LEU  16          1HD1      LEU  16  -0.427   7.008   9.293
  120   HD12  LEU  16          2HD1      LEU  16   0.137   5.488   8.556
  121   HD13  LEU  16          3HD1      LEU  16  -0.403   6.832   7.521
  122   HD21  LEU  16          3HD2      LEU  16   3.257   7.354   9.689
  123   HD22  LEU  16          1HD2      LEU  16   1.703   7.288  10.554
  124   HD23  LEU  16          2HD2      LEU  16   2.408   5.801   9.877
  125    H    ILE  17           H        ILE  17   3.561   6.333   4.074
  126    HA   ILE  17           HA       ILE  17   5.947   7.988   4.560
  127    HB   ILE  17           HB       ILE  17   5.667   5.711   2.571
  128   HG12  ILE  17          1HG1      ILE  17   6.755   5.389   5.379
  129   HG13  ILE  17          2HG1      ILE  17   5.056   5.056   5.006
  130   HG21  ILE  17          1HG2      ILE  17   7.646   7.215   2.394
  131   HG22  ILE  17          2HG2      ILE  17   8.051   6.862   4.090
  132   HG23  ILE  17          3HG2      ILE  17   8.109   5.564   2.873
  133   HD11  ILE  17          3HD1      ILE  17   5.763   3.325   3.372
  134   HD12  ILE  17          1HD1      ILE  17   6.388   2.984   5.003
  135   HD13  ILE  17          2HD1      ILE  17   7.465   3.664   3.760
  136    H    ARG  18           H        ARG  18   3.125   8.526   3.019
  137    HA   ARG  18           HA       ARG  18   4.339  10.037   0.772
  138    HB2  ARG  18           2HB      ARG  18   2.747   7.950   0.408
  139    HB3  ARG  18           1HB      ARG  18   1.480   9.077   0.926
  140    HG2  ARG  18           1HG      ARG  18   3.077  10.416  -1.032
  141    HG3  ARG  18           2HG      ARG  18   2.672   8.803  -1.664
  142    HD2  ARG  18           2HD      ARG  18   0.254   9.326  -0.859
  143    HD3  ARG  18           1HD      ARG  18   0.803  11.020  -0.781
  144    HE   ARG  18           HE       ARG  18   1.599   9.886  -3.246
  145   HH11  ARG  18          2HH2      ARG  18  -1.368  10.957  -1.705
  146   HH12  ARG  18          1HH2      ARG  18  -2.195  11.238  -3.202
  147   HH21  ARG  18          2HH1      ARG  18   0.483  10.266  -5.194
  148   HH22  ARG  18          1HH1      ARG  18  -1.144  10.855  -5.146
  149    H    ALA  19           H        ALA  19   3.876  12.082   0.704
  150    HA   ALA  19           HA       ALA  19   1.655  13.464   1.739
  151    HB1  ALA  19           1HB      ALA  19   2.647  13.009   3.971
  152    HB2  ALA  19           2HB      ALA  19   4.158  13.791   3.447
  153    HB3  ALA  19           3HB      ALA  19   2.662  14.745   3.579
  154    H    PHE  20           H        PHE  20   5.213  13.840   1.392
  155    HA   PHE  20           HA       PHE  20   4.855  16.332  -0.146
  156    HB2  PHE  20           2HB      PHE  20   6.489  15.840   1.894
  157    HB3  PHE  20           1HB      PHE  20   7.500  15.126   0.625
  158    HD1  PHE  20           2HD      PHE  20   8.075  16.648  -1.444
  159    HD2  PHE  20           1HD      PHE  20   6.578  18.124   2.302
  160    HE1  PHE  20           2HE      PHE  20   8.739  18.927  -2.087
  161    HE2  PHE  20           1HE      PHE  20   7.424  20.381   1.736
  162    HZ   PHE  20           HZ       PHE  20   8.495  20.795  -0.465
  Start of MODEL   10
    1    H1   HIS   1           H        HIS   1  -6.515 -12.968  -7.634
    2    HA   HIS   1           HA       HIS   1  -7.458 -11.788  -5.252
    3    HB2  HIS   1           1HB      HIS   1  -9.260 -13.576  -5.836
    4    HB3  HIS   1           2HB      HIS   1  -8.078 -14.733  -5.211
    5    HD1  HIS   1           1HD      HIS   1 -10.210 -15.025  -3.411
    6    HD2  HIS   1           2HD      HIS   1  -7.980 -11.559  -3.209
    7    HE1  HIS   1           1HE      HIS   1 -10.843 -13.894  -1.213
    8    HE2  HIS   1           2HE      HIS   1  -9.452 -11.750  -1.134
    9    H    GLY   2           H        GLY   2  -5.275 -11.281  -5.163
   10    HA2  GLY   2           1HA      GLY   2  -3.585 -12.885  -3.608
   11    HA3  GLY   2           2HA      GLY   2  -3.111 -13.095  -5.307
   12    H    LEU   3           H        LEU   3  -2.176 -11.361  -6.461
   13    HA   LEU   3           HA       LEU   3  -0.840  -9.373  -5.032
   14    HB2  LEU   3           2HB      LEU   3  -0.101  -8.490  -7.097
   15    HB3  LEU   3           1HB      LEU   3  -0.188 -10.251  -7.263
   16    HG   LEU   3           HG       LEU   3  -2.664  -8.915  -8.076
   17   HD11  LEU   3          1HD1      LEU   3  -1.739  -7.952 -10.161
   18   HD12  LEU   3          2HD1      LEU   3  -1.111  -7.129  -8.713
   19   HD13  LEU   3          3HD1      LEU   3  -0.093  -8.303  -9.581
   20   HD21  LEU   3          3HD2      LEU   3  -0.739 -10.798  -9.490
   21   HD22  LEU   3          1HD2      LEU   3  -2.371 -10.366 -10.054
   22   HD23  LEU   3          2HD2      LEU   3  -2.165 -11.275  -8.538
   23    H    ALA   4           H        ALA   4  -4.023  -9.135  -6.674
   24    HA   ALA   4           HA       ALA   4  -4.501  -6.441  -6.454
   25    HB1  ALA   4           1HB      ALA   4  -5.971  -8.101  -7.543
   26    HB2  ALA   4           2HB      ALA   4  -6.458  -8.707  -5.942
   27    HB3  ALA   4           3HB      ALA   4  -6.868  -7.044  -6.428
   28    H    SER   5           H        SER   5  -4.238  -8.755  -3.848
   29    HA   SER   5           HA       SER   5  -5.332  -6.931  -1.823
   30    HB2  SER   5           1HB      SER   5  -6.030  -9.317  -1.804
   31    HB3  SER   5           2HB      SER   5  -4.329  -9.791  -1.583
   32    HG   SER   5           HG       SER   5  -5.439  -9.652   0.467
   33    H    THR   6           H        THR   6  -2.242  -8.164  -3.099
   34    HA   THR   6           HA       THR   6  -0.586  -7.502  -0.917
   35    HB   THR   6           HB       THR   6  -0.093  -8.845  -3.109
   36    HG1  THR   6           1HG      THR   6   2.210  -8.339  -2.629
   37   HG21  THR   6          3HG2      THR   6   0.476  -7.755  -4.979
   38   HG22  THR   6          1HG2      THR   6   1.777  -6.931  -4.084
   39   HG23  THR   6          2HG2      THR   6   0.163  -6.189  -4.193
   40    H    LEU   7           H        LEU   7  -2.141  -5.508  -3.347
   41    HA   LEU   7           HA       LEU   7  -0.656  -3.127  -2.564
   42    HB2  LEU   7           2HB      LEU   7  -1.404  -2.189  -4.471
   43    HB3  LEU   7           1HB      LEU   7  -1.539  -3.889  -4.925
   44    HG   LEU   7           HG       LEU   7  -4.030  -3.406  -3.891
   45   HD11  LEU   7          1HD1      LEU   7  -3.539  -0.990  -3.665
   46   HD12  LEU   7          2HD1      LEU   7  -4.824  -1.292  -4.859
   47   HD13  LEU   7          3HD1      LEU   7  -3.174  -0.908  -5.405
   48   HD21  LEU   7          3HD2      LEU   7  -4.782  -3.411  -6.225
   49   HD22  LEU   7          1HD2      LEU   7  -3.469  -4.588  -5.986
   50   HD23  LEU   7          2HD2      LEU   7  -3.131  -3.027  -6.770
   51    H    THR   8           H        THR   8  -3.156  -4.823  -1.093
   52    HA   THR   8           HA       THR   8  -4.586  -2.443  -0.158
   53    HB   THR   8           HB       THR   8  -5.075  -5.418   0.250
   54    HG1  THR   8           1HG      THR   8  -6.747  -4.971  -1.424
   55   HG21  THR   8          3HG2      THR   8  -6.241  -4.044   1.945
   56   HG22  THR   8          1HG2      THR   8  -7.387  -4.779   0.798
   57   HG23  THR   8          2HG2      THR   8  -6.959  -3.058   0.647
   58    H    ARG   9           H        ARG   9  -2.010  -4.526   0.750
   59    HA   ARG   9           HA       ARG   9  -2.129  -3.808   3.596
   60    HB2  ARG   9           1HB      ARG   9  -0.565  -5.819   1.951
   61    HB3  ARG   9           2HB      ARG   9  -0.203  -5.487   3.661
   62    HG2  ARG   9           2HG      ARG   9  -3.043  -6.081   2.850
   63    HG3  ARG   9           1HG      ARG   9  -1.885  -7.422   2.990
   64    HD2  ARG   9           1HD      ARG   9  -1.919  -5.464   5.249
   65    HD3  ARG   9           2HD      ARG   9  -3.347  -6.518   5.086
   66    HE   ARG   9           HE       ARG   9  -0.613  -7.307   5.742
   67   HH11  ARG   9          2HH2      ARG   9  -3.729  -8.463   4.625
   68   HH12  ARG   9          1HH2      ARG   9  -3.432 -10.114   5.066
   69   HH21  ARG   9          2HH1      ARG   9  -0.241  -9.505   6.302
   70   HH22  ARG   9          1HH1      ARG   9  -1.476 -10.680   6.000
   71    H    TRP  10           H        TRP  10   0.401  -3.866   0.944
   72    HA   TRP  10           HA       TRP  10   2.174  -2.178   2.269
   73    HB2  TRP  10           2HB      TRP  10   3.339  -3.039   0.611
   74    HB3  TRP  10           1HB      TRP  10   1.878  -3.429  -0.305
   75    HD1  TRP  10           HD       TRP  10   1.339  -2.042  -2.356
   76    HE1  TRP  10           1HE      TRP  10   2.351  -0.025  -3.516
   77    HE3  TRP  10           3HE      TRP  10   4.769  -0.830   1.140
   78    HZ2  TRP  10           2HZ      TRP  10   4.397   1.851  -2.995
   79    HZ3  TRP  10           3HZ      TRP  10   6.021   1.305   0.936
   80    HH2  TRP  10           HH       TRP  10   5.891   2.603  -1.172
   81    H    ALA  11           H        ALA  11  -0.746  -1.351   0.453
   82    HA   ALA  11           HA       ALA  11  -0.218   1.465   0.273
   83    HB1  ALA  11           1HB      ALA  11  -2.609   1.638  -0.296
   84    HB2  ALA  11           2HB      ALA  11  -2.809  -0.090   0.081
   85    HB3  ALA  11           3HB      ALA  11  -1.761   0.411  -1.268
   86    H    HIS  12           H        HIS  12  -0.682  -0.365   3.010
   87    HA   HIS  12           HA       HIS  12  -1.977   1.842   4.490
   88    HB2  HIS  12           1HB      HIS  12  -2.041  -1.099   4.598
   89    HB3  HIS  12           2HB      HIS  12  -1.782  -0.337   6.178
   90    HD1  HIS  12           1HD      HIS  12  -3.959  -0.013   7.320
   91    HD2  HIS  12           2HD      HIS  12  -4.292   0.414   3.231
   92    HE1  HIS  12           1HE      HIS  12  -6.408   0.560   6.861
   93    HE2  HIS  12           2HE      HIS  12  -6.573   0.813   4.321
   94    H    TYR  13           H        TYR  13   0.994   1.143   3.536
   95    HA   TYR  13           HA       TYR  13   2.332   1.717   6.109
   96    HB2  TYR  13           1HB      TYR  13   2.954   0.132   3.698
   97    HB3  TYR  13           2HB      TYR  13   4.298   1.144   4.268
   98    HD1  TYR  13           2HD      TYR  13   4.491   1.137   6.972
   99    HD2  TYR  13           1HD      TYR  13   2.905  -2.024   4.534
  100    HE1  TYR  13           2HE      TYR  13   5.262  -0.506   8.633
  101    HE2  TYR  13           1HE      TYR  13   3.656  -3.688   6.209
  102    HH   TYR  13           HH       TYR  13   5.126  -2.608   9.309
  103    H    ASN  14           H        ASN  14   2.891   2.421   2.636
  104    HA   ASN  14           HA       ASN  14   4.297   4.866   2.998
  105    HB2  ASN  14           2HB      ASN  14   4.021   5.055   0.568
  106    HB3  ASN  14           1HB      ASN  14   4.536   3.420   1.030
  107   HD21  ASN  14          2HD2      ASN  14   2.438   5.097  -0.938
  108   HD22  ASN  14          1HD2      ASN  14   1.208   3.860  -1.089
  109    H    ALA  15           H        ALA  15   0.929   4.133   3.304
  110    HA   ALA  15           HA       ALA  15  -0.408   6.405   2.489
  111    HB1  ALA  15           1HB      ALA  15  -1.418   4.363   3.453
  112    HB2  ALA  15           2HB      ALA  15  -0.763   4.799   5.050
  113    HB3  ALA  15           3HB      ALA  15  -1.990   5.833   4.279
  114    H    LEU  16           H        LEU  16   1.846   6.024   5.192
  115    HA   LEU  16           HA       LEU  16   1.413   8.826   6.011
  116    HB2  LEU  16           2HB      LEU  16   1.765   6.455   7.450
  117    HB3  LEU  16           1HB      LEU  16   3.317   7.295   7.583
  118    HG   LEU  16           HG       LEU  16   1.840   7.820   9.446
  119   HD11  LEU  16          1HD1      LEU  16   3.464   9.519   8.693
  120   HD12  LEU  16          2HD1      LEU  16   2.202  10.255   7.677
  121   HD13  LEU  16          3HD1      LEU  16   2.021  10.236   9.448
  122   HD21  LEU  16          3HD2      LEU  16  -0.045   9.081   7.435
  123   HD22  LEU  16          1HD2      LEU  16  -0.321   7.541   8.284
  124   HD23  LEU  16          2HD2      LEU  16  -0.226   9.061   9.205
  125    H    ILE  17           H        ILE  17   3.859   6.638   4.598
  126    HA   ILE  17           HA       ILE  17   5.972   8.602   4.671
  127    HB   ILE  17           HB       ILE  17   5.865   6.037   3.046
  128   HG12  ILE  17          1HG1      ILE  17   6.962   6.245   5.860
  129   HG13  ILE  17          2HG1      ILE  17   5.279   5.778   5.568
  130   HG21  ILE  17          1HG2      ILE  17   7.761   7.598   2.619
  131   HG22  ILE  17          2HG2      ILE  17   8.308   6.078   3.368
  132   HG23  ILE  17          3HG2      ILE  17   8.171   7.556   4.351
  133   HD11  ILE  17          3HD1      ILE  17   6.058   3.832   4.239
  134   HD12  ILE  17          1HD1      ILE  17   6.705   3.798   5.897
  135   HD13  ILE  17          2HD1      ILE  17   7.745   4.307   4.546
  136    H    ARG  18           H        ARG  18   3.192   8.745   2.977
  137    HA   ARG  18           HA       ARG  18   2.398   9.664   1.136
  138    HB2  ARG  18           1HB      ARG  18   4.967  11.126   1.325
  139    HB3  ARG  18           2HB      ARG  18   4.179  11.117  -0.265
  140    HG2  ARG  18           2HG      ARG  18   2.096  11.968   0.767
  141    HG3  ARG  18           1HG      ARG  18   2.892  11.973   2.356
  142    HD2  ARG  18           2HD      ARG  18   3.050  14.210   1.618
  143    HD3  ARG  18           1HD      ARG  18   4.649  13.515   1.295
  144    HE   ARG  18           HE       ARG  18   2.973  13.275  -1.003
  145   HH11  ARG  18          2HH2      ARG  18   5.071  15.534   0.658
  146   HH12  ARG  18          1HH2      ARG  18   5.241  16.584  -0.712
  147   HH21  ARG  18          2HH1      ARG  18   3.235  14.675  -2.797
  148   HH22  ARG  18          1HH1      ARG  18   4.197  16.102  -2.626
  149    H    ALA  19           H        ALA  19   1.844   8.179  -0.321
  150    HA   ALA  19           HA       ALA  19   3.464   6.414  -1.690
  151    HB1  ALA  19           1HB      ALA  19   1.139   7.667  -3.133
  152    HB2  ALA  19           2HB      ALA  19   0.843   6.768  -1.626
  153    HB3  ALA  19           3HB      ALA  19   1.612   5.956  -3.011
  154    H    PHE  20           H        PHE  20   2.527   9.712  -2.718
  155    HA   PHE  20           HA       PHE  20   4.408   9.616  -4.988
  156    HB2  PHE  20           1HB      PHE  20   1.820  10.376  -4.838
  157    HB3  PHE  20           2HB      PHE  20   2.588  11.926  -4.454
  158    HD1  PHE  20           2HD      PHE  20   4.896  12.182  -6.210
  159    HD2  PHE  20           1HD      PHE  20   1.114  10.277  -6.961
  160    HE1  PHE  20           2HE      PHE  20   5.205  12.517  -8.637
  161    HE2  PHE  20           1HE      PHE  20   1.441  10.591  -9.396
  162    HZ   PHE  20           HZ       PHE  20   3.470  11.747 -10.235
  Start of MODEL   11
    1    H1   HIS   1           H        HIS   1  -7.056 -14.032  -7.829
    2    HA   HIS   1           HA       HIS   1  -7.638 -11.966  -6.015
    3    HB2  HIS   1           1HB      HIS   1  -8.434 -13.167  -4.052
    4    HB3  HIS   1           2HB      HIS   1  -9.599 -13.229  -5.381
    5    HD1  HIS   1           1HD      HIS   1  -8.722 -15.375  -2.839
    6    HD2  HIS   1           2HD      HIS   1  -8.765 -15.793  -6.942
    7    HE1  HIS   1           1HE      HIS   1  -8.814 -17.882  -3.301
    8    HE2  HIS   1           2HE      HIS   1  -8.864 -18.097  -5.850
    9    H    GLY   2           H        GLY   2  -5.580 -11.397  -5.693
   10    HA2  GLY   2           2HA      GLY   2  -3.837 -12.857  -4.029
   11    HA3  GLY   2           1HA      GLY   2  -3.366 -13.140  -5.718
   12    H    LEU   3           H        LEU   3  -2.569 -11.429  -6.998
   13    HA   LEU   3           HA       LEU   3  -1.223  -9.349  -5.711
   14    HB2  LEU   3           2HB      LEU   3  -0.618  -8.518  -7.848
   15    HB3  LEU   3           1HB      LEU   3  -0.618 -10.288  -7.917
   16    HG   LEU   3           HG       LEU   3  -3.151  -8.971  -8.730
   17   HD11  LEU   3          1HD1      LEU   3  -2.261  -8.396 -10.969
   18   HD12  LEU   3          2HD1      LEU   3  -0.619  -8.791 -10.410
   19   HD13  LEU   3          3HD1      LEU   3  -1.499  -7.425  -9.686
   20   HD21  LEU   3          3HD2      LEU   3  -3.078 -10.707 -10.474
   21   HD22  LEU   3          1HD2      LEU   3  -2.808 -11.418  -8.864
   22   HD23  LEU   3          2HD2      LEU   3  -1.433 -11.162  -9.965
   23    H    ALA   4           H        ALA   4  -4.459  -9.250  -7.277
   24    HA   ALA   4           HA       ALA   4  -5.009  -6.570  -7.108
   25    HB1  ALA   4           1HB      ALA   4  -6.454  -8.298  -8.122
   26    HB2  ALA   4           2HB      ALA   4  -6.894  -8.872  -6.495
   27    HB3  ALA   4           3HB      ALA   4  -7.356  -7.233  -7.016
   28    H    SER   5           H        SER   5  -4.585  -8.784  -4.453
   29    HA   SER   5           HA       SER   5  -5.713  -6.936  -2.460
   30    HB2  SER   5           2HB      SER   5  -6.023  -9.604  -2.677
   31    HB3  SER   5           1HB      SER   5  -4.529  -9.570  -1.708
   32    HG   SER   5           HG       SER   5  -6.416  -9.496  -0.336
   33    H    THR   6           H        THR   6  -2.625  -8.163  -3.745
   34    HA   THR   6           HA       THR   6  -0.936  -7.423  -1.617
   35    HB   THR   6           HB       THR   6  -0.469  -8.822  -3.778
   36    HG1  THR   6           1HG      THR   6   1.839  -8.257  -3.377
   37   HG21  THR   6          3HG2      THR   6  -0.275  -6.194  -4.948
   38   HG22  THR   6          1HG2      THR   6   1.346  -6.924  -4.867
   39   HG23  THR   6          2HG2      THR   6   0.025  -7.781  -5.696
   40    H    LEU   7           H        LEU   7  -2.545  -5.506  -4.089
   41    HA   LEU   7           HA       LEU   7  -1.058  -3.100  -3.383
   42    HB2  LEU   7           2HB      LEU   7  -1.989  -2.124  -5.248
   43    HB3  LEU   7           1HB      LEU   7  -1.829  -3.818  -5.725
   44    HG   LEU   7           HG       LEU   7  -4.398  -3.691  -4.675
   45   HD11  LEU   7          1HD1      LEU   7  -5.453  -1.784  -5.852
   46   HD12  LEU   7          2HD1      LEU   7  -3.844  -1.201  -6.339
   47   HD13  LEU   7          3HD1      LEU   7  -4.294  -1.235  -4.617
   48   HD21  LEU   7          3HD2      LEU   7  -5.105  -3.974  -7.011
   49   HD22  LEU   7          1HD2      LEU   7  -3.644  -4.935  -6.673
   50   HD23  LEU   7          2HD2      LEU   7  -3.513  -3.404  -7.572
   51    H    THR   8           H        THR   8  -3.511  -4.753  -1.843
   52    HA   THR   8           HA       THR   8  -4.948  -2.369  -0.930
   53    HB   THR   8           HB       THR   8  -5.454  -5.321  -0.398
   54    HG1  THR   8           1HG      THR   8  -7.019  -5.056  -2.180
   55   HG21  THR   8          3HG2      THR   8  -7.324  -2.918  -0.283
   56   HG22  THR   8          1HG2      THR   8  -7.782  -4.614  -0.000
   57   HG23  THR   8          2HG2      THR   8  -6.673  -3.792   1.125
   58    H    ARG   9           H        ARG   9  -2.373  -4.462  -0.012
   59    HA   ARG   9           HA       ARG   9  -2.471  -3.765   2.832
   60    HB2  ARG   9           2HB      ARG   9  -0.816  -5.664   1.141
   61    HB3  ARG   9           1HB      ARG   9  -0.484  -5.359   2.860
   62    HG2  ARG   9           1HG      ARG   9  -3.306  -6.021   2.146
   63    HG3  ARG   9           2HG      ARG   9  -2.122  -7.337   1.999
   64    HD2  ARG   9           2HD      ARG   9  -1.888  -5.756   4.497
   65    HD3  ARG   9           1HD      ARG   9  -3.416  -6.660   4.331
   66    HE   ARG   9           HE       ARG   9  -1.424  -8.396   3.516
   67   HH11  ARG   9          2HH2      ARG   9  -1.988  -6.707   6.547
   68   HH12  ARG   9          1HH2      ARG   9  -1.342  -7.990   7.516
   69   HH21  ARG   9          2HH1      ARG   9  -0.587 -10.050   4.825
   70   HH22  ARG   9          1HH1      ARG   9  -0.554  -9.844   6.543
   71    H    TRP  10           H        TRP  10   0.043  -3.650   0.156
   72    HA   TRP  10           HA       TRP  10   1.736  -1.885   1.491
   73    HB2  TRP  10           1HB      TRP  10   2.920  -2.662  -0.189
   74    HB3  TRP  10           2HB      TRP  10   1.473  -3.137  -1.090
   75    HD1  TRP  10           HD       TRP  10   0.821  -1.726  -3.126
   76    HE1  TRP  10           1HE      TRP  10   1.729   0.354  -4.261
   77    HE3  TRP  10           3HE      TRP  10   4.276  -0.463   0.325
   78    HZ2  TRP  10           2HZ      TRP  10   3.713   2.296  -3.746
   79    HZ3  TRP  10           3HZ      TRP  10   5.460   1.715   0.129
   80    HH2  TRP  10           HH       TRP  10   5.228   3.055  -1.940
   81    H    ALA  11           H        ALA  11  -1.228  -1.198  -0.279
   82    HA   ALA  11           HA       ALA  11  -0.930   1.636  -0.457
   83    HB1  ALA  11           1HB      ALA  11  -3.437   1.542  -0.775
   84    HB2  ALA  11           2HB      ALA  11  -2.472   0.580  -1.919
   85    HB3  ALA  11           3HB      ALA  11  -3.313  -0.223  -0.572
   86    H    HIS  12           H        HIS  12  -1.222  -0.267   2.299
   87    HA   HIS  12           HA       HIS  12  -2.580   1.804   3.887
   88    HB2  HIS  12           2HB      HIS  12  -3.565  -0.291   4.193
   89    HB3  HIS  12           1HB      HIS  12  -2.018  -1.140   4.103
   90    HD1  HIS  12           1HD      HIS  12  -4.213   0.608   6.642
   91    HD2  HIS  12           2HD      HIS  12  -0.624  -1.404   6.326
   92    HE1  HIS  12           1HE      HIS  12  -3.314   0.371   9.019
   93    HE2  HIS  12           2HE      HIS  12  -1.131  -0.944   8.792
   94    H    TYR  13           H        TYR  13   0.541   0.917   2.886
   95    HA   TYR  13           HA       TYR  13   1.878   1.561   5.432
   96    HB2  TYR  13           2HB      TYR  13   2.222  -0.467   3.685
   97    HB3  TYR  13           1HB      TYR  13   3.313   0.725   2.942
   98    HD1  TYR  13           2HD      TYR  13   2.588  -1.287   5.910
   99    HD2  TYR  13           1HD      TYR  13   5.342   1.503   4.154
  100    HE1  TYR  13           2HE      TYR  13   4.328  -2.038   7.484
  101    HE2  TYR  13           1HE      TYR  13   7.088   0.788   5.758
  102    HH   TYR  13           HH       TYR  13   6.316  -1.588   8.343
  103    H    ASN  14           H        ASN  14   2.606   2.208   1.942
  104    HA   ASN  14           HA       ASN  14   3.804   4.702   2.286
  105    HB2  ASN  14           1HB      ASN  14   4.042   3.451   0.244
  106    HB3  ASN  14           2HB      ASN  14   2.301   3.563  -0.084
  107   HD21  ASN  14          2HD2      ASN  14   1.486   5.368  -1.083
  108   HD22  ASN  14          1HD2      ASN  14   2.476   6.734  -1.517
  109    H    ALA  15           H        ALA  15   0.430   3.993   2.773
  110    HA   ALA  15           HA       ALA  15  -0.878   6.292   1.932
  111    HB1  ALA  15           1HB      ALA  15  -2.406   5.811   3.823
  112    HB2  ALA  15           2HB      ALA  15  -1.210   4.666   4.478
  113    HB3  ALA  15           3HB      ALA  15  -1.980   4.347   2.905
  114    H    LEU  16           H        LEU  16   1.467   5.924   4.541
  115    HA   LEU  16           HA       LEU  16   1.109   8.731   5.376
  116    HB2  LEU  16           2HB      LEU  16   1.554   6.321   6.782
  117    HB3  LEU  16           1HB      LEU  16   3.062   7.252   6.898
  118    HG   LEU  16           HG       LEU  16   0.343   8.470   7.473
  119   HD11  LEU  16          1HD1      LEU  16   0.730   6.541   8.978
  120   HD12  LEU  16          2HD1      LEU  16   0.805   8.086   9.858
  121   HD13  LEU  16          3HD1      LEU  16   2.306   7.226   9.440
  122   HD21  LEU  16          3HD2      LEU  16   3.163   9.274   8.304
  123   HD22  LEU  16          1HD2      LEU  16   2.200  10.055   7.029
  124   HD23  LEU  16          2HD2      LEU  16   1.662  10.133   8.723
  125    H    ILE  17           H        ILE  17   3.471   6.515   3.855
  126    HA   ILE  17           HA       ILE  17   5.614   8.466   3.824
  127    HB   ILE  17           HB       ILE  17   5.382   5.852   2.327
  128   HG12  ILE  17          1HG1      ILE  17   4.935   5.261   4.583
  129   HG13  ILE  17          2HG1      ILE  17   6.569   4.738   4.164
  130   HG21  ILE  17          1HG2      ILE  17   7.253   7.329   1.656
  131   HG22  ILE  17          2HG2      ILE  17   7.871   7.260   3.324
  132   HG23  ILE  17          3HG2      ILE  17   7.791   5.777   2.343
  133   HD11  ILE  17          3HD1      ILE  17   5.846   7.148   5.881
  134   HD12  ILE  17          1HD1      ILE  17   6.474   5.588   6.463
  135   HD13  ILE  17          2HD1      ILE  17   7.499   6.642   5.458
  136    H    ARG  18           H        ARG  18   2.762   8.481   2.225
  137    HA   ARG  18           HA       ARG  18   3.574   9.010  -0.484
  138    HB2  ARG  18           1HB      ARG  18   1.310   8.090   0.391
  139    HB3  ARG  18           2HB      ARG  18   0.948   9.774   0.837
  140    HG2  ARG  18           2HG      ARG  18   1.692  10.313  -1.618
  141    HG3  ARG  18           1HG      ARG  18   1.417   8.582  -1.899
  142    HD2  ARG  18           1HD      ARG  18  -0.856   8.787  -1.774
  143    HD3  ARG  18           2HD      ARG  18  -0.778  10.028  -0.497
  144    HE   ARG  18           HE       ARG  18  -0.596  11.676  -2.090
  145   HH11  ARG  18          2HH2      ARG  18  -0.301   8.620  -3.815
  146   HH12  ARG  18          1HH2      ARG  18  -0.406   9.367  -5.378
  147   HH21  ARG  18          2HH1      ARG  18  -0.735  12.593  -4.149
  148   HH22  ARG  18          1HH1      ARG  18  -0.656  11.583  -5.551
  149    H    ALA  19           H        ALA  19   3.617  10.975  -1.511
  150    HA   ALA  19           HA       ALA  19   4.188  13.112  -1.843
  151    HB1  ALA  19           1HB      ALA  19   2.865  14.861  -0.695
  152    HB2  ALA  19           2HB      ALA  19   1.851  13.538  -1.317
  153    HB3  ALA  19           3HB      ALA  19   2.228  13.627   0.419
  154    H    PHE  20           H        PHE  20   6.135  11.888  -0.824
  155    HA   PHE  20           HA       PHE  20   7.280  13.616   1.296
  156    HB2  PHE  20           2HB      PHE  20   6.649  11.059   1.641
  157    HB3  PHE  20           1HB      PHE  20   8.191  10.797   0.799
  158    HD1  PHE  20           1HD      PHE  20   6.597  12.360   3.756
  159    HD2  PHE  20           2HD      PHE  20  10.302  11.224   1.905
  160    HE1  PHE  20           1HE      PHE  20   7.775  12.705   5.908
  161    HE2  PHE  20           2HE      PHE  20  11.487  11.582   4.051
  162    HZ   PHE  20           HZ       PHE  20  10.232  12.364   6.047
  Start of MODEL   12
    1    H1   HIS   1           H        HIS   1  -7.011 -12.156  -3.493
    2    HA   HIS   1           HA       HIS   1  -7.217 -14.006  -5.629
    3    HB2  HIS   1           2HB      HIS   1  -8.055 -12.148  -6.946
    4    HB3  HIS   1           1HB      HIS   1  -6.645 -11.171  -6.518
    5    HD1  HIS   1           1HD      HIS   1  -5.638 -10.928  -8.902
    6    HD2  HIS   1           2HD      HIS   1  -6.485 -14.829  -7.847
    7    HE1  HIS   1           1HE      HIS   1  -4.594 -12.387 -10.709
    8    HE2  HIS   1           2HE      HIS   1  -5.145 -14.788 -10.029
    9    H    GLY   2           H        GLY   2  -4.993 -11.187  -5.133
   10    HA2  GLY   2           2HA      GLY   2  -3.024 -12.521  -3.636
   11    HA3  GLY   2           1HA      GLY   2  -2.582 -12.637  -5.354
   12    H    LEU   3           H        LEU   3  -2.192 -10.756  -6.566
   13    HA   LEU   3           HA       LEU   3  -0.981  -8.612  -5.257
   14    HB2  LEU   3           2HB      LEU   3  -0.654  -7.605  -7.383
   15    HB3  LEU   3           1HB      LEU   3  -0.429  -9.354  -7.531
   16    HG   LEU   3           HG       LEU   3  -3.120  -8.197  -8.180
   17   HD11  LEU   3          1HD1      LEU   3  -2.359  -7.760 -10.497
   18   HD12  LEU   3          2HD1      LEU   3  -1.530  -6.711  -9.323
   19   HD13  LEU   3          3HD1      LEU   3  -0.686  -8.120 -10.008
   20   HD21  LEU   3          3HD2      LEU   3  -1.459 -10.447  -9.389
   21   HD22  LEU   3          1HD2      LEU   3  -2.770 -10.649  -8.202
   22   HD23  LEU   3          2HD2      LEU   3  -3.131 -10.025  -9.830
   23    H    ALA   4           H        ALA   4  -4.274  -8.762  -6.659
   24    HA   ALA   4           HA       ALA   4  -5.107  -6.169  -6.322
   25    HB1  ALA   4           1HB      ALA   4  -6.371  -7.986  -7.423
   26    HB2  ALA   4           2HB      ALA   4  -6.695  -8.715  -5.832
   27    HB3  ALA   4           3HB      ALA   4  -7.363  -7.114  -6.230
   28    H    SER   5           H        SER   5  -4.346  -8.471  -3.850
   29    HA   SER   5           HA       SER   5  -5.612  -6.896  -1.699
   30    HB2  SER   5           1HB      SER   5  -5.807  -9.548  -2.116
   31    HB3  SER   5           2HB      SER   5  -4.289  -9.524  -1.183
   32    HG   SER   5           HG       SER   5  -6.134  -9.636   0.246
   33    H    THR   6           H        THR   6  -2.424  -8.230  -2.848
   34    HA   THR   6           HA       THR   6  -0.785  -7.269  -0.897
   35    HB   THR   6           HB       THR   6  -0.368  -8.572  -3.155
   36    HG1  THR   6           1HG      THR   6   1.936  -8.134  -2.663
   37   HG21  THR   6          3HG2      THR   6  -0.455  -6.337  -4.530
   38   HG22  THR   6          1HG2      THR   6   1.166  -6.072  -3.846
   39   HG23  THR   6          2HG2      THR   6   0.843  -7.516  -4.836
   40    H    LEU   7           H        LEU   7  -2.448  -5.351  -3.322
   41    HA   LEU   7           HA       LEU   7  -1.103  -2.873  -2.562
   42    HB2  LEU   7           2HB      LEU   7  -3.209  -3.667  -4.587
   43    HB3  LEU   7           1HB      LEU   7  -2.753  -1.977  -4.290
   44    HG   LEU   7           HG       LEU   7  -0.566  -3.964  -4.826
   45   HD11  LEU   7          1HD1      LEU   7  -0.849  -3.634  -7.265
   46   HD12  LEU   7          2HD1      LEU   7  -2.255  -4.464  -6.555
   47   HD13  LEU   7          3HD1      LEU   7  -2.357  -2.735  -6.965
   48   HD21  LEU   7          3HD2      LEU   7  -1.040  -1.060  -5.627
   49   HD22  LEU   7          1HD2      LEU   7  -0.055  -1.608  -4.250
   50   HD23  LEU   7          2HD2      LEU   7   0.450  -1.990  -5.912
   51    H    THR   8           H        THR   8  -3.444  -4.660  -1.033
   52    HA   THR   8           HA       THR   8  -4.996  -2.347  -0.119
   53    HB   THR   8           HB       THR   8  -5.346  -5.338   0.319
   54    HG1  THR   8           1HG      THR   8  -7.022  -5.013  -1.359
   55   HG21  THR   8          3HG2      THR   8  -7.331  -3.060   0.708
   56   HG22  THR   8          1HG2      THR   8  -7.679  -4.797   0.885
   57   HG23  THR   8          2HG2      THR   8  -6.559  -3.995   2.012
   58    H    ARG   9           H        ARG   9  -2.296  -4.304   0.793
   59    HA   ARG   9           HA       ARG   9  -2.460  -3.455   3.610
   60    HB2  ARG   9           2HB      ARG   9  -0.693  -5.475   2.194
   61    HB3  ARG   9           1HB      ARG   9  -0.571  -5.056   3.916
   62    HG2  ARG   9           1HG      ARG   9  -2.273  -6.427   4.437
   63    HG3  ARG   9           2HG      ARG   9  -3.326  -5.665   3.224
   64    HD2  ARG   9           1HD      ARG   9  -3.134  -7.976   2.611
   65    HD3  ARG   9           2HD      ARG   9  -2.124  -7.064   1.467
   66    HE   ARG   9           HE       ARG   9  -0.646  -7.927   3.775
   67   HH11  ARG   9          2HH2      ARG   9  -1.741  -8.999   0.627
   68   HH12  ARG   9          1HH2      ARG   9  -0.594 -10.301   0.527
   69   HH21  ARG   9          2HH1      ARG   9   0.858  -9.630   3.611
   70   HH22  ARG   9          1HH1      ARG   9   0.862 -10.635   2.205
   71    H    TRP  10           H        TRP  10   0.082  -3.551   0.948
   72    HA   TRP  10           HA       TRP  10   1.799  -1.761   2.219
   73    HB2  TRP  10           1HB      TRP  10   2.979  -2.620   0.584
   74    HB3  TRP  10           2HB      TRP  10   1.531  -3.107  -0.310
   75    HD1  TRP  10           HD       TRP  10   0.892  -1.733  -2.385
   76    HE1  TRP  10           1HE      TRP  10   1.850   0.290  -3.593
   77    HE3  TRP  10           3HE      TRP  10   4.396  -0.454   1.009
   78    HZ2  TRP  10           2HZ      TRP  10   3.895   2.186  -3.145
   79    HZ3  TRP  10           3HZ      TRP  10   5.633   1.686   0.747
   80    HH2  TRP  10           HH       TRP  10   5.438   2.964  -1.366
   81    H    ALA  11           H        ALA  11  -1.158  -1.107   0.421
   82    HA   ALA  11           HA       ALA  11  -0.786   1.727   0.168
   83    HB1  ALA  11           1HB      ALA  11  -3.201   1.715  -0.375
   84    HB2  ALA  11           2HB      ALA  11  -3.265  -0.013   0.047
   85    HB3  ALA  11           3HB      ALA  11  -2.269   0.531  -1.325
   86    H    HIS  12           H        HIS  12  -1.135  -0.076   2.945
   87    HA   HIS  12           HA       HIS  12  -2.517   2.046   4.441
   88    HB2  HIS  12           2HB      HIS  12  -3.550  -0.005   4.804
   89    HB3  HIS  12           1HB      HIS  12  -2.024  -0.898   4.750
   90    HD1  HIS  12           1HD      HIS  12  -4.131   1.074   7.227
   91    HD2  HIS  12           2HD      HIS  12  -0.680  -1.183   6.980
   92    HE1  HIS  12           1HE      HIS  12  -3.252   0.847   9.616
   93    HE2  HIS  12           2HE      HIS  12  -1.153  -0.602   9.432
   94    H    TYR  13           H        TYR  13   0.611   0.982   3.590
   95    HA   TYR  13           HA       TYR  13   1.942   1.739   6.089
   96    HB2  TYR  13           1HB      TYR  13   2.580   0.218   3.607
   97    HB3  TYR  13           2HB      TYR  13   3.923   1.103   4.363
   98    HD1  TYR  13           2HD      TYR  13   1.387  -1.569   4.873
   99    HD2  TYR  13           1HD      TYR  13   4.769   0.514   6.504
  100    HE1  TYR  13           2HE      TYR  13   1.803  -3.462   6.399
  101    HE2  TYR  13           1HE      TYR  13   5.188  -1.366   8.057
  102    HH   TYR  13           HH       TYR  13   2.901  -4.128   8.216
  103    H    ASN  14           H        ASN  14   2.747   2.345   2.651
  104    HA   ASN  14           HA       ASN  14   4.006   4.829   3.076
  105    HB2  ASN  14           2HB      ASN  14   4.416   3.344   1.162
  106    HB3  ASN  14           1HB      ASN  14   2.775   3.665   0.565
  107   HD21  ASN  14          2HD2      ASN  14   3.538   4.595  -1.394
  108   HD22  ASN  14          1HD2      ASN  14   4.154   6.224  -1.358
  109    H    ALA  15           H        ALA  15   0.631   4.085   3.064
  110    HA   ALA  15           HA       ALA  15  -0.611   6.368   2.074
  111    HB1  ALA  15           1HB      ALA  15  -1.845   5.624   4.530
  112    HB2  ALA  15           2HB      ALA  15  -1.188   4.138   3.801
  113    HB3  ALA  15           3HB      ALA  15  -2.316   5.160   2.878
  114    H    LEU  16           H        LEU  16   1.388   5.971   4.955
  115    HA   LEU  16           HA       LEU  16   0.833   8.733   5.840
  116    HB2  LEU  16           1HB      LEU  16   2.248   6.447   7.245
  117    HB3  LEU  16           2HB      LEU  16   1.884   8.036   7.940
  118    HG   LEU  16           HG       LEU  16  -0.199   6.056   6.951
  119   HD11  LEU  16          1HD1      LEU  16  -0.644   5.634   9.348
  120   HD12  LEU  16          2HD1      LEU  16   1.007   5.161   8.882
  121   HD13  LEU  16          3HD1      LEU  16   0.735   6.675   9.777
  122   HD21  LEU  16          3HD2      LEU  16  -0.522   8.577   8.624
  123   HD22  LEU  16          1HD2      LEU  16  -0.961   8.412   6.907
  124   HD23  LEU  16          2HD2      LEU  16  -1.819   7.459   8.141
  125    H    ILE  17           H        ILE  17   3.415   6.604   4.589
  126    HA   ILE  17           HA       ILE  17   5.521   8.548   4.983
  127    HB   ILE  17           HB       ILE  17   5.595   6.024   3.295
  128   HG12  ILE  17          1HG1      ILE  17   6.376   6.222   6.217
  129   HG13  ILE  17          2HG1      ILE  17   4.768   5.683   5.716
  130   HG21  ILE  17          1HG2      ILE  17   7.504   7.609   3.068
  131   HG22  ILE  17          2HG2      ILE  17   7.753   7.545   4.829
  132   HG23  ILE  17          3HG2      ILE  17   8.000   6.084   3.842
  133   HD11  ILE  17          3HD1      ILE  17   7.407   4.338   5.003
  134   HD12  ILE  17          1HD1      ILE  17   6.230   3.769   6.211
  135   HD13  ILE  17          2HD1      ILE  17   5.795   3.789   4.485
  136    H    ARG  18           H        ARG  18   2.933   8.576   2.910
  137    HA   ARG  18           HA       ARG  18   2.331   9.618   1.092
  138    HB2  ARG  18           1HB      ARG  18   4.787  11.197   1.724
  139    HB3  ARG  18           2HB      ARG  18   3.953  11.455   0.177
  140    HG2  ARG  18           2HG      ARG  18   1.994  12.221   1.219
  141    HG3  ARG  18           1HG      ARG  18   2.400  11.447   2.774
  142    HD2  ARG  18           1HD      ARG  18   4.096  13.040   3.250
  143    HD3  ARG  18           2HD      ARG  18   4.177  13.586   1.557
  144    HE   ARG  18           HE       ARG  18   1.633  14.157   2.189
  145   HH11  ARG  18          2HH2      ARG  18   4.521  14.815   4.067
  146   HH12  ARG  18          1HH2      ARG  18   3.935  16.325   4.687
  147   HH21  ARG  18          2HH1      ARG  18   0.886  16.129   3.014
  148   HH22  ARG  18          1HH1      ARG  18   1.878  17.047   4.097
  149    H    ALA  19           H        ALA  19   5.802   9.631   0.358
  150    HA   ALA  19           HA       ALA  19   6.793   9.340  -1.711
  151    HB1  ALA  19           1HB      ALA  19   7.767   7.291  -1.499
  152    HB2  ALA  19           2HB      ALA  19   6.220   6.451  -1.231
  153    HB3  ALA  19           3HB      ALA  19   6.964   7.389   0.087
  154    H    PHE  20           H        PHE  20   4.682  10.321  -2.574
  155    HA   PHE  20           HA       PHE  20   3.374   8.505  -4.515
  156    HB2  PHE  20           1HB      PHE  20   1.843   9.441  -2.898
  157    HB3  PHE  20           2HB      PHE  20   2.481  11.076  -3.156
  158    HD1  PHE  20           1HD      PHE  20   1.093   8.260  -5.225
  159    HD2  PHE  20           2HD      PHE  20   1.245  12.500  -4.562
  160    HE1  PHE  20           1HE      PHE  20  -0.488   8.609  -7.098
  161    HE2  PHE  20           2HE      PHE  20  -0.387  12.845  -6.395
  162    HZ   PHE  20           HZ       PHE  20  -1.266  10.899  -7.657
  Start of MODEL   13
    1    H1   HIS   1           H        HIS   1  -7.082 -12.145  -8.199
    2    HA   HIS   1           HA       HIS   1  -7.913 -10.792  -5.866
    3    HB2  HIS   1           1HB      HIS   1  -9.233 -13.447  -6.295
    4    HB3  HIS   1           2HB      HIS   1  -8.747 -12.982  -4.653
    5    HD1  HIS   1           1HD      HIS   1 -10.847 -11.407  -7.481
    6    HD2  HIS   1           2HD      HIS   1 -10.509 -11.625  -3.373
    7    HE1  HIS   1           1HE      HIS   1 -12.864 -10.159  -6.536
    8    HE2  HIS   1           2HE      HIS   1 -12.608 -10.305  -3.996
    9    H    GLY   2           H        GLY   2  -5.710 -10.479  -5.687
   10    HA2  GLY   2           2HA      GLY   2  -4.249 -12.231  -4.045
   11    HA3  GLY   2           1HA      GLY   2  -3.724 -12.479  -5.725
   12    H    LEU   3           H        LEU   3  -2.639 -10.819  -6.852
   13    HA   LEU   3           HA       LEU   3  -1.137  -8.994  -5.369
   14    HB2  LEU   3           2HB      LEU   3  -0.286  -8.145  -7.413
   15    HB3  LEU   3           1HB      LEU   3  -0.503  -9.895  -7.580
   16    HG   LEU   3           HG       LEU   3  -2.798  -8.248  -8.472
   17   HD11  LEU   3          1HD1      LEU   3  -1.699  -7.637 -10.604
   18   HD12  LEU   3          2HD1      LEU   3  -0.149  -8.244  -9.969
   19   HD13  LEU   3          3HD1      LEU   3  -0.932  -6.837  -9.211
   20   HD21  LEU   3          3HD2      LEU   3  -2.793  -9.870 -10.319
   21   HD22  LEU   3          1HD2      LEU   3  -2.711 -10.704  -8.749
   22   HD23  LEU   3          2HD2      LEU   3  -1.245 -10.535  -9.744
   23    H    ALA   4           H        ALA   4  -4.143  -8.294  -7.278
   24    HA   ALA   4           HA       ALA   4  -4.453  -5.668  -6.853
   25    HB1  ALA   4           1HB      ALA   4  -6.029  -7.165  -8.027
   26    HB2  ALA   4           2HB      ALA   4  -6.615  -7.764  -6.457
   27    HB3  ALA   4           3HB      ALA   4  -6.860  -6.059  -6.907
   28    H    SER   5           H        SER   5  -4.510  -8.074  -4.304
   29    HA   SER   5           HA       SER   5  -5.499  -6.206  -2.266
   30    HB2  SER   5           1HB      SER   5  -5.812  -8.967  -2.678
   31    HB3  SER   5           2HB      SER   5  -4.666  -8.828  -1.320
   32    HG   SER   5           HG       SER   5  -6.844  -8.743  -0.536
   33    H    THR   6           H        THR   6  -2.498  -7.719  -3.443
   34    HA   THR   6           HA       THR   6  -0.873  -7.283  -1.182
   35    HB   THR   6           HB       THR   6  -0.437  -8.634  -3.379
   36    HG1  THR   6           1HG      THR   6   1.887  -8.377  -2.812
   37   HG21  THR   6          3HG2      THR   6   0.302  -7.575  -5.209
   38   HG22  THR   6          1HG2      THR   6   1.659  -6.923  -4.258
   39   HG23  THR   6          2HG2      THR   6   0.144  -5.998  -4.397
   40    H    LEU   7           H        LEU   7  -2.083  -5.090  -3.654
   41    HA   LEU   7           HA       LEU   7  -0.389  -2.909  -2.750
   42    HB2  LEU   7           2HB      LEU   7  -1.141  -1.689  -4.542
   43    HB3  LEU   7           1HB      LEU   7  -1.116  -3.344  -5.152
   44    HG   LEU   7           HG       LEU   7  -3.689  -3.258  -4.440
   45   HD11  LEU   7          1HD1      LEU   7  -3.582  -0.935  -3.581
   46   HD12  LEU   7          2HD1      LEU   7  -3.053  -0.375  -5.184
   47   HD13  LEU   7          3HD1      LEU   7  -4.675  -1.074  -4.977
   48   HD21  LEU   7          3HD2      LEU   7  -4.191  -2.732  -6.781
   49   HD22  LEU   7          1HD2      LEU   7  -2.752  -3.774  -6.673
   50   HD23  LEU   7          2HD2      LEU   7  -2.568  -2.032  -6.988
   51    H    THR   8           H        THR   8  -3.144  -4.356  -1.429
   52    HA   THR   8           HA       THR   8  -4.338  -1.854  -0.485
   53    HB   THR   8           HB       THR   8  -5.169  -4.765  -0.216
   54    HG1  THR   8           1HG      THR   8  -6.731  -4.055  -1.889
   55   HG21  THR   8          3HG2      THR   8  -6.212  -3.372   1.545
   56   HG22  THR   8          1HG2      THR   8  -7.408  -3.909   0.341
   57   HG23  THR   8          2HG2      THR   8  -6.792  -2.240   0.300
   58    H    ARG   9           H        ARG   9  -2.040  -4.243   0.482
   59    HA   ARG   9           HA       ARG   9  -2.243  -3.475   3.316
   60    HB2  ARG   9           1HB      ARG   9  -2.164  -5.900   2.511
   61    HB3  ARG   9           2HB      ARG   9  -0.462  -5.602   2.118
   62    HG2  ARG   9           2HG      ARG   9  -1.592  -5.062   4.878
   63    HG3  ARG   9           1HG      ARG   9  -1.011  -6.666   4.399
   64    HD2  ARG   9           2HD      ARG   9   1.226  -5.740   3.939
   65    HD3  ARG   9           1HD      ARG   9   0.652  -4.117   4.390
   66    HE   ARG   9           HE       ARG   9   0.033  -5.332   6.602
   67   HH11  ARG   9          2HH2      ARG   9   2.990  -5.863   4.776
   68   HH12  ARG   9          1HH2      ARG   9   3.898  -6.365   6.165
   69   HH21  ARG   9          2HH1      ARG   9   1.257  -6.003   8.388
   70   HH22  ARG   9          1HH1      ARG   9   2.917  -6.442   8.178
   71    H    TRP  10           H        TRP  10   0.449  -3.811   0.767
   72    HA   TRP  10           HA       TRP  10   2.266  -2.313   2.252
   73    HB2  TRP  10           2HB      TRP  10   3.469  -3.196   0.637
   74    HB3  TRP  10           1HB      TRP  10   2.033  -3.483  -0.355
   75    HD1  TRP  10           HD       TRP  10   1.709  -2.032  -2.431
   76    HE1  TRP  10           1HE      TRP  10   2.924  -0.064  -3.487
   77    HE3  TRP  10           3HE      TRP  10   4.966  -1.105   1.303
   78    HZ2  TRP  10           2HZ      TRP  10   5.024   1.688  -2.784
   79    HZ3  TRP  10           3HZ      TRP  10   6.408   0.901   1.198
   80    HH2  TRP  10           HH       TRP  10   6.382   2.348  -0.822
   81    H    ALA  11           H        ALA  11  -0.454  -1.180   0.323
   82    HA   ALA  11           HA       ALA  11   0.354   1.590   0.315
   83    HB1  ALA  11           1HB      ALA  11  -1.902   2.050  -0.480
   84    HB2  ALA  11           2HB      ALA  11  -1.167   0.719  -1.403
   85    HB3  ALA  11           3HB      ALA  11  -2.380   0.367  -0.150
   86    H    HIS  12           H        HIS  12  -0.427  -0.295   2.970
   87    HA   HIS  12           HA       HIS  12  -1.806   1.865   4.364
   88    HB2  HIS  12           2HB      HIS  12  -2.435   0.322   5.852
   89    HB3  HIS  12           1HB      HIS  12  -2.045  -0.783   4.537
   90    HD1  HIS  12           1HD      HIS  12  -1.805  -0.871   7.920
   91    HD2  HIS  12           2HD      HIS  12   1.037  -1.340   4.983
   92    HE1  HIS  12           1HE      HIS  12   0.156  -2.086   9.013
   93    HE2  HIS  12           2HE      HIS  12   1.903  -2.355   7.161
   94    H    TYR  13           H        TYR  13   1.401   0.779   3.748
   95    HA   TYR  13           HA       TYR  13   2.679   2.017   6.043
   96    HB2  TYR  13           1HB      TYR  13   3.227  -0.005   4.137
   97    HB3  TYR  13           2HB      TYR  13   4.398   1.292   3.814
   98    HD1  TYR  13           1HD      TYR  13   5.869   2.126   5.693
   99    HD2  TYR  13           2HD      TYR  13   3.362  -1.339   6.100
  100    HE1  TYR  13           1HE      TYR  13   7.335   1.276   7.494
  101    HE2  TYR  13           2HE      TYR  13   4.793  -2.185   7.905
  102    HH   TYR  13           HH       TYR  13   6.441  -1.696   9.307
  103    H    ASN  14           H        ASN  14   3.094   2.379   2.475
  104    HA   ASN  14           HA       ASN  14   3.974   5.102   2.712
  105    HB2  ASN  14           2HB      ASN  14   3.643   3.136   0.517
  106    HB3  ASN  14           1HB      ASN  14   3.623   4.860   0.089
  107   HD21  ASN  14          2HD2      ASN  14   5.542   2.700   2.321
  108   HD22  ASN  14          1HD2      ASN  14   7.053   3.409   1.817
  109    H    ALA  15           H        ALA  15   0.880   3.956   3.037
  110    HA   ALA  15           HA       ALA  15  -0.818   5.608   1.639
  111    HB1  ALA  15           1HB      ALA  15  -1.583   5.571   4.433
  112    HB2  ALA  15           2HB      ALA  15  -2.293   4.674   3.069
  113    HB3  ALA  15           3HB      ALA  15  -0.927   3.981   3.976
  114    H    LEU  16           H        LEU  16   0.972   6.320   4.664
  115    HA   LEU  16           HA       LEU  16   0.067   9.111   4.621
  116    HB2  LEU  16           2HB      LEU  16   0.054   7.536   6.663
  117    HB3  LEU  16           1HB      LEU  16   1.811   7.789   6.699
  118    HG   LEU  16           HG       LEU  16   0.215  10.272   6.450
  119   HD11  LEU  16          1HD1      LEU  16  -1.245   8.946   7.949
  120   HD12  LEU  16          2HD1      LEU  16  -0.465  10.289   8.817
  121   HD13  LEU  16          3HD1      LEU  16   0.144   8.628   9.014
  122   HD21  LEU  16          3HD2      LEU  16   1.821  11.048   8.153
  123   HD22  LEU  16          1HD2      LEU  16   2.669  10.247   6.808
  124   HD23  LEU  16          2HD2      LEU  16   2.430   9.387   8.349
  125    H    ILE  17           H        ILE  17   2.656   7.241   3.427
  126    HA   ILE  17           HA       ILE  17   4.675   9.366   3.643
  127    HB   ILE  17           HB       ILE  17   4.984   6.647   2.322
  128   HG12  ILE  17          1HG1      ILE  17   5.802   7.378   5.152
  129   HG13  ILE  17          2HG1      ILE  17   4.319   6.490   4.778
  130   HG21  ILE  17          1HG2      ILE  17   6.666   8.394   1.756
  131   HG22  ILE  17          2HG2      ILE  17   7.009   8.611   3.489
  132   HG23  ILE  17          3HG2      ILE  17   7.386   7.064   2.695
  133   HD11  ILE  17          3HD1      ILE  17   6.869   5.367   3.688
  134   HD12  ILE  17          1HD1      ILE  17   6.627   5.273   5.449
  135   HD13  ILE  17          2HD1      ILE  17   5.441   4.533   4.347
  136    H    ARG  18           H        ARG  18   1.957   9.036   1.881
  137    HA   ARG  18           HA       ARG  18   1.233   9.619  -0.140
  138    HB2  ARG  18           1HB      ARG  18   1.886  11.904  -0.768
  139    HB3  ARG  18           2HB      ARG  18   1.539  11.732   0.963
  140    HG2  ARG  18           2HG      ARG  18   3.931  11.675   1.469
  141    HG3  ARG  18           1HG      ARG  18   4.322  11.709  -0.259
  142    HD2  ARG  18           1HD      ARG  18   4.570  13.923   0.082
  143    HD3  ARG  18           2HD      ARG  18   2.796  13.956  -0.040
  144    HE   ARG  18           HE       ARG  18   3.430  13.337   2.616
  145   HH11  ARG  18          2HH2      ARG  18   4.033  15.969   0.429
  146   HH12  ARG  18          1HH2      ARG  18   4.025  17.213   1.641
  147   HH21  ARG  18          2HH1      ARG  18   3.422  14.974   4.256
  148   HH22  ARG  18          1HH1      ARG  18   3.679  16.627   3.804
  149    H    ALA  19           H        ALA  19   2.309   7.602  -0.901
  150    HA   ALA  19           HA       ALA  19   3.997   8.240  -3.229
  151    HB1  ALA  19           1HB      ALA  19   5.543   7.525  -1.444
  152    HB2  ALA  19           2HB      ALA  19   5.501   6.369  -2.796
  153    HB3  ALA  19           3HB      ALA  19   4.640   5.999  -1.283
  154    H    PHE  20           H        PHE  20   2.512   5.371  -1.593
  155    HA   PHE  20           HA       PHE  20   1.246   3.697  -2.375
  156    HB2  PHE  20           2HB      PHE  20  -0.544   5.155  -2.146
  157    HB3  PHE  20           1HB      PHE  20  -0.014   6.184  -3.479
  158    HD1  PHE  20           2HD      PHE  20  -1.078   2.589  -3.056
  159    HD2  PHE  20           1HD      PHE  20  -1.042   6.075  -5.522
  160    HE1  PHE  20           2HE      PHE  20  -2.423   1.405  -4.751
  161    HE2  PHE  20           1HE      PHE  20  -2.405   4.911  -7.220
  162    HZ   PHE  20           HZ       PHE  20  -3.113   2.562  -6.834
  Start of MODEL   14
    1    H1   HIS   1           H        HIS   1  -7.010 -13.535  -7.765
    2    HA   HIS   1           HA       HIS   1  -7.829 -11.916  -5.585
    3    HB2  HIS   1           2HB      HIS   1  -9.700 -13.764  -5.761
    4    HB3  HIS   1           1HB      HIS   1  -8.492 -14.777  -4.954
    5    HD1  HIS   1           1HD      HIS   1 -11.239 -12.700  -4.064
    6    HD2  HIS   1           2HD      HIS   1  -7.433 -13.299  -2.582
    7    HE1  HIS   1           1HE      HIS   1 -11.250 -11.780  -1.685
    8    HE2  HIS   1           2HE      HIS   1  -8.874 -12.153  -0.807
    9    H    GLY   2           H        GLY   2  -5.661 -11.461  -5.408
   10    HA2  GLY   2           1HA      GLY   2  -4.034 -13.019  -3.737
   11    HA3  GLY   2           2HA      GLY   2  -3.539 -13.328  -5.415
   12    H    LEU   3           H        LEU   3  -2.606 -11.657  -6.665
   13    HA   LEU   3           HA       LEU   3  -1.201  -9.649  -5.333
   14    HB2  LEU   3           1HB      LEU   3  -0.495  -8.839  -7.448
   15    HB3  LEU   3           2HB      LEU   3  -0.555 -10.608  -7.516
   16    HG   LEU   3           HG       LEU   3  -3.012  -9.202  -8.411
   17   HD11  LEU   3          1HD1      LEU   3  -2.029  -8.626 -10.611
   18   HD12  LEU   3          2HD1      LEU   3  -0.419  -9.078 -10.001
   19   HD13  LEU   3          3HD1      LEU   3  -1.284  -7.694  -9.290
   20   HD21  LEU   3          3HD2      LEU   3  -2.932 -10.920 -10.171
   21   HD22  LEU   3          1HD2      LEU   3  -2.739 -11.656  -8.562
   22   HD23  LEU   3          2HD2      LEU   3  -1.321 -11.430  -9.614
   23    H    ALA   4           H        ALA   4  -4.310  -9.275  -7.166
   24    HA   ALA   4           HA       ALA   4  -4.803  -6.660  -6.870
   25    HB1  ALA   4           1HB      ALA   4  -6.299  -8.333  -7.903
   26    HB2  ALA   4           2HB      ALA   4  -6.785  -8.885  -6.282
   27    HB3  ALA   4           3HB      ALA   4  -7.174  -7.231  -6.814
   28    H    SER   5           H        SER   5  -4.597  -8.918  -4.195
   29    HA   SER   5           HA       SER   5  -5.659  -7.014  -2.228
   30    HB2  SER   5           1HB      SER   5  -5.848  -9.780  -2.492
   31    HB3  SER   5           2HB      SER   5  -4.606  -9.558  -1.234
   32    HG   SER   5           HG       SER   5  -6.763  -9.559  -0.325
   33    H    THR   6           H        THR   6  -2.589  -8.381  -3.412
   34    HA   THR   6           HA       THR   6  -0.931  -7.707  -1.241
   35    HB   THR   6           HB       THR   6  -0.468  -9.129  -3.382
   36    HG1  THR   6           1HG      THR   6   1.847  -8.682  -2.918
   37   HG21  THR   6          3HG2      THR   6   0.132  -8.121  -5.289
   38   HG22  THR   6          1HG2      THR   6   1.463  -7.317  -4.422
   39   HG23  THR   6          2HG2      THR   6  -0.122  -6.518  -4.554
   40    H    LEU   7           H        LEU   7  -2.360  -5.750  -3.763
   41    HA   LEU   7           HA       LEU   7  -0.874  -3.348  -3.037
   42    HB2  LEU   7           1HB      LEU   7  -2.848  -4.164  -5.150
   43    HB3  LEU   7           2HB      LEU   7  -2.573  -2.442  -4.814
   44    HG   LEU   7           HG       LEU   7  -0.175  -4.212  -5.184
   45   HD11  LEU   7          1HD1      LEU   7  -1.688  -4.864  -7.033
   46   HD12  LEU   7          2HD1      LEU   7  -0.301  -3.926  -7.635
   47   HD13  LEU   7          3HD1      LEU   7  -1.894  -3.150  -7.467
   48   HD21  LEU   7          3HD2      LEU   7   0.717  -2.143  -6.207
   49   HD22  LEU   7          1HD2      LEU   7   0.054  -1.815  -4.588
   50   HD23  LEU   7          2HD2      LEU   7  -0.876  -1.367  -6.038
   51    H    THR   8           H        THR   8  -3.394  -4.922  -1.538
   52    HA   THR   8           HA       THR   8  -4.777  -2.471  -0.711
   53    HB   THR   8           HB       THR   8  -5.345  -5.427  -0.277
   54    HG1  THR   8           1HG      THR   8  -7.048  -4.899  -1.899
   55   HG21  THR   8          3HG2      THR   8  -7.168  -3.039   0.210
   56   HG22  THR   8          1HG2      THR   8  -7.629  -4.754   0.334
   57   HG23  THR   8          2HG2      THR   8  -6.443  -4.066   1.469
   58    H    ARG   9           H        ARG   9  -2.282  -4.630   0.308
   59    HA   ARG   9           HA       ARG   9  -2.432  -3.808   3.121
   60    HB2  ARG   9           1HB      ARG   9  -0.825  -5.862   1.575
   61    HB3  ARG   9           2HB      ARG   9  -0.582  -5.530   3.303
   62    HG2  ARG   9           1HG      ARG   9  -3.404  -5.981   2.530
   63    HG3  ARG   9           2HG      ARG   9  -2.341  -7.388   2.293
   64    HD2  ARG   9           2HD      ARG   9  -1.567  -6.372   4.788
   65    HD3  ARG   9           1HD      ARG   9  -3.341  -6.205   4.785
   66    HE   ARG   9           HE       ARG   9  -3.490  -8.459   4.961
   67   HH11  ARG   9          2HH2      ARG   9  -0.324  -7.881   3.517
   68   HH12  ARG   9          1HH2      ARG   9   0.086  -9.564   3.454
   69   HH21  ARG   9          2HH1      ARG   9  -2.906 -10.649   4.837
   70   HH22  ARG   9          1HH1      ARG   9  -1.364 -11.093   4.186
   71    H    TRP  10           H        TRP  10   0.164  -3.985   0.530
   72    HA   TRP  10           HA       TRP  10   1.938  -2.284   1.849
   73    HB2  TRP  10           1HB      TRP  10   3.112  -3.212   0.242
   74    HB3  TRP  10           2HB      TRP  10   1.660  -3.632  -0.679
   75    HD1  TRP  10           HD       TRP  10   1.184  -2.291  -2.808
   76    HE1  TRP  10           1HE      TRP  10   2.237  -0.300  -3.988
   77    HE3  TRP  10           3HE      TRP  10   4.544  -1.036   0.744
   78    HZ2  TRP  10           2HZ      TRP  10   4.294   1.562  -3.459
   79    HZ3  TRP  10           3HZ      TRP  10   5.817   1.090   0.527
   80    HH2  TRP  10           HH       TRP  10   5.834   2.257  -1.658
   81    H    ALA  11           H        ALA  11  -0.933  -1.492  -0.037
   82    HA   ALA  11           HA       ALA  11  -0.433   1.310  -0.312
   83    HB1  ALA  11           1HB      ALA  11  -2.903   1.383  -0.761
   84    HB2  ALA  11           2HB      ALA  11  -1.985   0.262  -1.795
   85    HB3  ALA  11           3HB      ALA  11  -2.951  -0.366  -0.438
   86    H    HIS  12           H        HIS  12  -0.938  -0.472   2.504
   87    HA   HIS  12           HA       HIS  12  -2.184   1.790   3.933
   88    HB2  HIS  12           2HB      HIS  12  -2.280  -1.129   4.071
   89    HB3  HIS  12           1HB      HIS  12  -1.887  -0.398   5.640
   90    HD1  HIS  12           1HD      HIS  12  -3.891   0.377   6.936
   91    HD2  HIS  12           2HD      HIS  12  -4.639   0.085   2.886
   92    HE1  HIS  12           1HE      HIS  12  -6.362   0.955   6.624
   93    HE2  HIS  12           2HE      HIS  12  -6.789   0.747   4.111
   94    H    TYR  13           H        TYR  13   0.849   0.752   3.082
   95    HA   TYR  13           HA       TYR  13   2.180   1.393   5.620
   96    HB2  TYR  13           2HB      TYR  13   2.566  -0.556   3.795
   97    HB3  TYR  13           1HB      TYR  13   3.605   0.694   3.077
   98    HD1  TYR  13           1HD      TYR  13   2.905  -1.226   6.147
   99    HD2  TYR  13           2HD      TYR  13   5.762   1.215   4.066
  100    HE1  TYR  13           1HE      TYR  13   4.676  -2.002   7.687
  101    HE2  TYR  13           2HE      TYR  13   7.532   0.468   5.611
  102    HH   TYR  13           HH       TYR  13   7.979  -0.602   7.516
  103    H    ASN  14           H        ASN  14   2.707   2.195   2.143
  104    HA   ASN  14           HA       ASN  14   4.010   4.670   2.631
  105    HB2  ASN  14           2HB      ASN  14   3.396   2.939   0.433
  106    HB3  ASN  14           1HB      ASN  14   2.967   4.608   0.007
  107   HD21  ASN  14          2HD2      ASN  14   4.708   4.474  -1.533
  108   HD22  ASN  14          1HD2      ASN  14   6.353   4.715  -0.999
  109    H    ALA  15           H        ALA  15   0.731   3.892   2.895
  110    HA   ALA  15           HA       ALA  15  -0.660   6.147   1.964
  111    HB1  ALA  15           1HB      ALA  15  -1.834   5.237   4.379
  112    HB2  ALA  15           2HB      ALA  15  -1.086   3.809   3.622
  113    HB3  ALA  15           3HB      ALA  15  -2.275   4.777   2.716
  114    H    LEU  16           H        LEU  16   1.284   5.596   4.900
  115    HA   LEU  16           HA       LEU  16   0.670   8.305   5.873
  116    HB2  LEU  16           1HB      LEU  16   1.131   5.805   7.114
  117    HB3  LEU  16           2HB      LEU  16   2.495   6.849   7.548
  118    HG   LEU  16           HG       LEU  16   0.716   6.968   9.200
  119   HD11  LEU  16          1HD1      LEU  16   2.101   8.973   8.801
  120   HD12  LEU  16          2HD1      LEU  16   0.870   9.578   7.667
  121   HD13  LEU  16          3HD1      LEU  16   0.468   9.372   9.389
  122   HD21  LEU  16          3HD2      LEU  16  -1.489   7.868   8.751
  123   HD22  LEU  16          1HD2      LEU  16  -1.195   6.442   7.728
  124   HD23  LEU  16          2HD2      LEU  16  -1.087   8.075   7.029
  125    H    ILE  17           H        ILE  17   3.207   6.485   4.276
  126    HA   ILE  17           HA       ILE  17   5.313   8.403   4.817
  127    HB   ILE  17           HB       ILE  17   5.220   6.176   2.775
  128   HG12  ILE  17          2HG1      ILE  17   4.654   5.068   4.789
  129   HG13  ILE  17          1HG1      ILE  17   6.342   4.713   4.407
  130   HG21  ILE  17          1HG2      ILE  17   7.116   7.759   2.568
  131   HG22  ILE  17          2HG2      ILE  17   7.626   7.323   4.216
  132   HG23  ILE  17          3HG2      ILE  17   7.622   6.092   2.931
  133   HD11  ILE  17          3HD1      ILE  17   5.398   6.661   6.543
  134   HD12  ILE  17          1HD1      ILE  17   6.031   5.021   6.819
  135   HD13  ILE  17          2HD1      ILE  17   7.093   6.284   6.151
  136    H    ARG  18           H        ARG  18   2.554   8.749   3.064
  137    HA   ARG  18           HA       ARG  18   1.804  10.275   1.644
  138    HB2  ARG  18           1HB      ARG  18   4.402  11.354   2.192
  139    HB3  ARG  18           2HB      ARG  18   4.053  11.530   0.460
  140    HG2  ARG  18           2HG      ARG  18   2.278  12.956   0.822
  141    HG3  ARG  18           1HG      ARG  18   1.875  12.229   2.395
  142    HD2  ARG  18           1HD      ARG  18   4.400  13.865   1.933
  143    HD3  ARG  18           2HD      ARG  18   2.868  14.582   2.492
  144    HE   ARG  18           HE       ARG  18   3.506  12.300   4.063
  145   HH11  ARG  18          2HH2      ARG  18   4.658  15.587   3.659
  146   HH12  ARG  18          1HH2      ARG  18   5.195  15.735   5.303
  147   HH21  ARG  18          2HH1      ARG  18   4.206  12.525   6.210
  148   HH22  ARG  18          1HH1      ARG  18   4.937  14.007   6.722
  149    H    ALA  19           H        ALA  19   4.877   8.925   0.477
  150    HA   ALA  19           HA       ALA  19   5.589   8.004  -1.457
  151    HB1  ALA  19           1HB      ALA  19   2.763   7.143  -2.084
  152    HB2  ALA  19           2HB      ALA  19   4.294   6.280  -2.369
  153    HB3  ALA  19           3HB      ALA  19   3.650   6.430  -0.715
  154    H    PHE  20           H        PHE  20   5.789  10.400  -1.986
  155    HA   PHE  20           HA       PHE  20   4.672  10.884  -4.629
  156    HB2  PHE  20           1HB      PHE  20   2.986  11.553  -2.722
  157    HB3  PHE  20           2HB      PHE  20   4.032  12.981  -2.570
  158    HD1  PHE  20           2HD      PHE  20   2.545  10.911  -5.332
  159    HD2  PHE  20           1HD      PHE  20   3.329  14.843  -3.785
  160    HE1  PHE  20           2HE      PHE  20   1.336  11.904  -7.254
  161    HE2  PHE  20           1HE      PHE  20   2.127  15.839  -5.715
  162    HZ   PHE  20           HZ       PHE  20   1.140  14.370  -7.454
  Start of MODEL   15
    1    H1   HIS   1           H        HIS   1  -7.387 -14.433  -7.508
    2    HA   HIS   1           HA       HIS   1  -7.867 -12.096  -5.996
    3    HB2  HIS   1           1HB      HIS   1  -9.807 -14.021  -5.441
    4    HB3  HIS   1           2HB      HIS   1  -8.647 -14.183  -4.108
    5    HD1  HIS   1           1HD      HIS   1  -9.593 -10.851  -5.753
    6    HD2  HIS   1           2HD      HIS   1 -10.024 -12.962  -2.231
    7    HE1  HIS   1           1HE      HIS   1 -10.611  -9.223  -4.071
    8    HE2  HIS   1           2HE      HIS   1 -10.859 -10.569  -1.912
    9    H    GLY   2           H        GLY   2  -5.820 -11.642  -5.495
   10    HA2  GLY   2           2HA      GLY   2  -4.273 -13.119  -3.671
   11    HA3  GLY   2           1HA      GLY   2  -3.727 -13.514  -5.315
   12    H    LEU   3           H        LEU   3  -2.647 -11.986  -6.562
   13    HA   LEU   3           HA       LEU   3  -1.273  -9.927  -5.290
   14    HB2  LEU   3           2HB      LEU   3  -0.301  -9.426  -7.351
   15    HB3  LEU   3           1HB      LEU   3  -0.654 -11.161  -7.399
   16    HG   LEU   3           HG       LEU   3  -2.930  -9.888  -8.462
   17   HD11  LEU   3          1HD1      LEU   3  -1.986  -8.560 -10.325
   18   HD12  LEU   3          2HD1      LEU   3  -0.364  -8.731  -9.610
   19   HD13  LEU   3          3HD1      LEU   3  -1.634  -7.838  -8.737
   20   HD21  LEU   3          3HD2      LEU   3  -0.646 -11.329  -9.851
   21   HD22  LEU   3          1HD2      LEU   3  -2.260 -11.034 -10.542
   22   HD23  LEU   3          2HD2      LEU   3  -2.081 -12.083  -9.115
   23    H    ALA   4           H        ALA   4  -4.246  -9.646  -7.298
   24    HA   ALA   4           HA       ALA   4  -4.723  -7.007  -7.317
   25    HB1  ALA   4           1HB      ALA   4  -6.170  -8.778  -8.258
   26    HB2  ALA   4           2HB      ALA   4  -6.750  -9.161  -6.619
   27    HB3  ALA   4           3HB      ALA   4  -7.100  -7.571  -7.339
   28    H    SER   5           H        SER   5  -4.726  -8.994  -4.418
   29    HA   SER   5           HA       SER   5  -5.808  -6.831  -2.735
   30    HB2  SER   5           2HB      SER   5  -6.742  -9.170  -2.547
   31    HB3  SER   5           1HB      SER   5  -5.140  -9.697  -1.975
   32    HG   SER   5           HG       SER   5  -6.389  -9.151  -0.133
   33    H    THR   6           H        THR   6  -2.796  -8.520  -3.578
   34    HA   THR   6           HA       THR   6  -1.190  -7.826  -1.393
   35    HB   THR   6           HB       THR   6  -0.522  -8.196  -4.330
   36    HG1  THR   6           1HG      THR   6   0.036 -10.398  -3.366
   37   HG21  THR   6          3HG2      THR   6   1.293  -8.470  -1.903
   38   HG22  THR   6          1HG2      THR   6   1.720  -8.881  -3.582
   39   HG23  THR   6          2HG2      THR   6   1.387  -7.190  -3.136
   40    H    LEU   7           H        LEU   7  -2.374  -5.909  -4.117
   41    HA   LEU   7           HA       LEU   7  -0.766  -3.574  -3.522
   42    HB2  LEU   7           2HB      LEU   7  -1.165  -3.636  -5.732
   43    HB3  LEU   7           1HB      LEU   7  -2.664  -4.541  -5.547
   44    HG   LEU   7           HG       LEU   7  -3.770  -2.375  -4.869
   45   HD11  LEU   7          1HD1      LEU   7  -1.756  -1.014  -4.410
   46   HD12  LEU   7          2HD1      LEU   7  -1.305  -1.122  -6.128
   47   HD13  LEU   7          3HD1      LEU   7  -2.797  -0.277  -5.652
   48   HD21  LEU   7          3HD2      LEU   7  -4.110  -3.485  -7.000
   49   HD22  LEU   7          1HD2      LEU   7  -4.051  -1.722  -7.240
   50   HD23  LEU   7          2HD2      LEU   7  -2.644  -2.724  -7.665
   51    H    THR   8           H        THR   8  -3.495  -4.990  -1.996
   52    HA   THR   8           HA       THR   8  -4.723  -2.429  -1.283
   53    HB   THR   8           HB       THR   8  -5.565  -5.310  -0.819
   54    HG1  THR   8           1HG      THR   8  -7.154  -4.650  -2.501
   55   HG21  THR   8          3HG2      THR   8  -7.176  -2.753  -0.437
   56   HG22  THR   8          1HG2      THR   8  -7.797  -4.416  -0.296
   57   HG23  THR   8          2HG2      THR   8  -6.590  -3.814   0.867
   58    H    ARG   9           H        ARG   9  -2.402  -4.735  -0.081
   59    HA   ARG   9           HA       ARG   9  -2.692  -3.801   2.677
   60    HB2  ARG   9           2HB      ARG   9  -1.049  -5.941   1.316
   61    HB3  ARG   9           1HB      ARG   9  -0.765  -5.458   3.002
   62    HG2  ARG   9           1HG      ARG   9  -3.129  -5.980   3.542
   63    HG3  ARG   9           2HG      ARG   9  -3.388  -6.500   1.859
   64    HD2  ARG   9           2HD      ARG   9  -1.042  -7.726   3.206
   65    HD3  ARG   9           1HD      ARG   9  -2.619  -8.171   3.894
   66    HE   ARG   9           HE       ARG   9  -1.561  -8.868   1.273
   67   HH11  ARG   9          2HH2      ARG   9  -4.492  -8.599   3.169
   68   HH12  ARG   9          1HH2      ARG   9  -5.363  -9.793   2.270
   69   HH21  ARG   9          2HH1      ARG   9  -2.733 -10.402   0.054
   70   HH22  ARG   9          1HH1      ARG   9  -4.356 -10.798   0.508
   71    H    TRP  10           H        TRP  10   0.023  -4.003   0.244
   72    HA   TRP  10           HA       TRP  10   1.749  -2.310   1.653
   73    HB2  TRP  10           2HB      TRP  10   3.004  -3.288   0.124
   74    HB3  TRP  10           1HB      TRP  10   1.599  -3.677  -0.880
   75    HD1  TRP  10           HD       TRP  10   1.317  -2.413  -3.056
   76    HE1  TRP  10           1HE      TRP  10   2.434  -0.436  -4.190
   77    HE3  TRP  10           3HE      TRP  10   4.367  -1.047   0.719
   78    HZ2  TRP  10           2HZ      TRP  10   4.431   1.453  -3.560
   79    HZ3  TRP  10           3HZ      TRP  10   5.652   1.072   0.531
   80    HH2  TRP  10           HH       TRP  10   5.784   2.248  -1.628
   81    H    ALA  11           H        ALA  11  -1.043  -1.512  -0.352
   82    HA   ALA  11           HA       ALA  11  -0.499   1.270  -0.671
   83    HB1  ALA  11           1HB      ALA  11  -3.021   1.398  -0.978
   84    HB2  ALA  11           2HB      ALA  11  -2.129   0.349  -2.106
   85    HB3  ALA  11           3HB      ALA  11  -3.037  -0.368  -0.752
   86    H    HIS  12           H        HIS  12  -1.036  -0.447   2.206
   87    HA   HIS  12           HA       HIS  12  -2.245   1.879   3.561
   88    HB2  HIS  12           1HB      HIS  12  -1.903  -1.040   4.272
   89    HB3  HIS  12           2HB      HIS  12  -2.344   0.180   5.480
   90    HD1  HIS  12           1HD      HIS  12  -4.491   1.778   3.922
   91    HD2  HIS  12           2HD      HIS  12  -4.150  -2.323   3.973
   92    HE1  HIS  12           1HE      HIS  12  -6.718   0.873   3.053
   93    HE2  HIS  12           2HE      HIS  12  -6.504  -1.669   3.218
   94    H    TYR  13           H        TYR  13   0.751   1.072   2.611
   95    HA   TYR  13           HA       TYR  13   2.135   1.694   5.120
   96    HB2  TYR  13           2HB      TYR  13   2.581  -0.141   3.217
   97    HB3  TYR  13           1HB      TYR  13   3.480   1.205   2.485
   98    HD1  TYR  13           1HD      TYR  13   2.995  -0.091   5.976
   99    HD2  TYR  13           2HD      TYR  13   5.764   1.048   2.897
  100    HE1  TYR  13           1HE      TYR  13   4.869  -0.804   7.412
  101    HE2  TYR  13           2HE      TYR  13   7.649   0.354   4.328
  102    HH   TYR  13           HH       TYR  13   8.267  -0.260   6.378
  103    H    ASN  14           H        ASN  14   2.394   2.777   1.665
  104    HA   ASN  14           HA       ASN  14   3.522   5.229   1.974
  105    HB2  ASN  14           2HB      ASN  14   1.249   4.687   0.042
  106    HB3  ASN  14           1HB      ASN  14   2.549   5.881  -0.120
  107   HD21  ASN  14          2HD2      ASN  14   3.638   5.209  -1.918
  108   HD22  ASN  14          1HD2      ASN  14   4.264   3.587  -2.089
  109    H    ALA  15           H        ALA  15   0.319   4.385   3.076
  110    HA   ALA  15           HA       ALA  15  -1.067   6.788   3.062
  111    HB1  ALA  15           1HB      ALA  15  -2.146   5.875   5.100
  112    HB2  ALA  15           2HB      ALA  15  -0.860   4.649   5.216
  113    HB3  ALA  15           3HB      ALA  15  -1.972   4.644   3.825
  114    H    LEU  16           H        LEU  16   1.794   5.886   4.948
  115    HA   LEU  16           HA       LEU  16   1.701   8.446   6.413
  116    HB2  LEU  16           2HB      LEU  16   2.095   5.916   7.303
  117    HB3  LEU  16           1HB      LEU  16   3.775   6.399   6.986
  118    HG   LEU  16           HG       LEU  16   2.065   8.375   8.429
  119   HD11  LEU  16          1HD1      LEU  16   2.409   7.215  10.591
  120   HD12  LEU  16          2HD1      LEU  16   3.103   5.823   9.728
  121   HD13  LEU  16          3HD1      LEU  16   1.393   6.255   9.489
  122   HD21  LEU  16          3HD2      LEU  16   4.904   7.349   8.852
  123   HD22  LEU  16          1HD2      LEU  16   4.456   8.807   7.935
  124   HD23  LEU  16          2HD2      LEU  16   4.155   8.730   9.688
  125    H    ILE  17           H        ILE  17   3.604   6.626   4.002
  126    HA   ILE  17           HA       ILE  17   5.726   8.600   3.847
  127    HB   ILE  17           HB       ILE  17   5.104   6.311   1.973
  128   HG12  ILE  17          1HG1      ILE  17   5.149   5.295   4.126
  129   HG13  ILE  17          2HG1      ILE  17   6.619   4.872   3.245
  130   HG21  ILE  17          1HG2      ILE  17   6.829   7.917   1.208
  131   HG22  ILE  17          2HG2      ILE  17   7.454   6.267   1.446
  132   HG23  ILE  17          3HG2      ILE  17   7.792   7.530   2.654
  133   HD11  ILE  17          3HD1      ILE  17   6.410   6.899   5.508
  134   HD12  ILE  17          1HD1      ILE  17   7.092   5.258   5.620
  135   HD13  ILE  17          2HD1      ILE  17   7.899   6.492   4.623
  136    H    ARG  18           H        ARG  18   2.613   8.926   3.043
  137    HA   ARG  18           HA       ARG  18   2.342   9.749   0.458
  138    HB2  ARG  18           2HB      ARG  18   0.489  11.118   1.302
  139    HB3  ARG  18           1HB      ARG  18   0.531   9.536   2.100
  140    HG2  ARG  18           1HG      ARG  18   1.707  10.614   4.046
  141    HG3  ARG  18           2HG      ARG  18   1.454  12.189   3.264
  142    HD2  ARG  18           2HD      ARG  18  -1.050  10.779   3.289
  143    HD3  ARG  18           1HD      ARG  18  -0.353  10.715   4.924
  144    HE   ARG  18           HE       ARG  18  -0.485  13.023   5.087
  145   HH11  ARG  18          2HH2      ARG  18  -1.450  12.092   1.848
  146   HH12  ARG  18          1HH2      ARG  18  -2.196  13.617   1.486
  147   HH21  ARG  18          2HH1      ARG  18  -1.489  15.008   4.592
  148   HH22  ARG  18          1HH1      ARG  18  -2.212  15.244   3.037
  149    H    ALA  19           H        ALA  19   2.457  11.715  -0.628
  150    HA   ALA  19           HA       ALA  19   3.436  13.578  -1.385
  151    HB1  ALA  19           1HB      ALA  19   2.282  14.693   0.492
  152    HB2  ALA  19           2HB      ALA  19   3.696  14.395   1.531
  153    HB3  ALA  19           3HB      ALA  19   3.841  15.465   0.115
  154    H    PHE  20           H        PHE  20   4.925  11.832  -1.941
  155    HA   PHE  20           HA       PHE  20   7.664  12.340  -0.924
  156    HB2  PHE  20           2HB      PHE  20   6.318  10.014  -0.759
  157    HB3  PHE  20           1HB      PHE  20   6.954   9.846  -2.410
  158    HD1  PHE  20           1HD      PHE  20   7.818  10.176   1.155
  159    HD2  PHE  20           2HD      PHE  20   9.373   9.618  -2.810
  160    HE1  PHE  20           1HE      PHE  20   9.969   9.401   2.111
  161    HE2  PHE  20           2HE      PHE  20  11.521   8.831  -1.855
  162    HZ   PHE  20           HZ       PHE  20  11.838   8.764   0.606
  Start of MODEL   16
    1    H1   HIS   1           H        HIS   1  -6.321 -14.791  -6.918
    2    HA   HIS   1           HA       HIS   1  -6.524 -12.079  -6.156
    3    HB2  HIS   1           1HB      HIS   1  -7.159 -12.408  -3.731
    4    HB3  HIS   1           2HB      HIS   1  -8.468 -12.475  -4.921
    5    HD1  HIS   1           1HD      HIS   1  -6.212 -15.258  -3.451
    6    HD2  HIS   1           2HD      HIS   1 -10.124 -14.322  -4.385
    7    HE1  HIS   1           1HE      HIS   1  -7.586 -17.344  -2.921
    8    HE2  HIS   1           2HE      HIS   1  -9.987 -16.749  -3.582
    9    H    GLY   2           H        GLY   2  -4.634 -11.337  -5.351
   10    HA2  GLY   2           1HA      GLY   2  -2.889 -12.709  -3.631
   11    HA3  GLY   2           2HA      GLY   2  -2.382 -13.044  -5.300
   12    H    LEU   3           H        LEU   3  -1.543 -11.371  -6.604
   13    HA   LEU   3           HA       LEU   3  -0.310  -9.202  -5.334
   14    HB2  LEU   3           2HB      LEU   3   0.425  -8.481  -7.462
   15    HB3  LEU   3           1HB      LEU   3   0.423 -10.253  -7.467
   16    HG   LEU   3           HG       LEU   3  -2.104  -9.127  -8.420
   17   HD11  LEU   3          1HD1      LEU   3  -1.204  -8.290 -10.569
   18   HD12  LEU   3          2HD1      LEU   3  -0.646  -7.315  -9.190
   19   HD13  LEU   3          3HD1      LEU   3   0.450  -8.495  -9.946
   20   HD21  LEU   3          3HD2      LEU   3  -1.471 -11.485  -8.677
   21   HD22  LEU   3          1HD2      LEU   3  -1.704 -10.719 -10.266
   22   HD23  LEU   3          2HD2      LEU   3  -0.059 -11.012  -9.652
   23    H    ALA   4           H        ALA   4  -3.464  -9.300  -7.049
   24    HA   ALA   4           HA       ALA   4  -4.099  -6.619  -7.039
   25    HB1  ALA   4           1HB      ALA   4  -5.425  -8.430  -8.072
   26    HB2  ALA   4           2HB      ALA   4  -6.425  -7.364  -7.055
   27    HB3  ALA   4           3HB      ALA   4  -5.937  -8.967  -6.454
   28    H    SER   5           H        SER   5  -3.666  -8.672  -4.254
   29    HA   SER   5           HA       SER   5  -4.945  -6.730  -2.443
   30    HB2  SER   5           1HB      SER   5  -5.438  -9.271  -2.395
   31    HB3  SER   5           2HB      SER   5  -3.812  -9.429  -1.687
   32    HG   SER   5           HG       SER   5  -5.464  -9.167  -0.038
   33    H    THR   6           H        THR   6  -1.797  -7.876  -3.578
   34    HA   THR   6           HA       THR   6  -0.191  -7.096  -1.397
   35    HB   THR   6           HB       THR   6   0.416  -8.491  -3.496
   36    HG1  THR   6           1HG      THR   6   2.680  -7.735  -3.111
   37   HG21  THR   6          3HG2      THR   6   0.881  -7.488  -5.445
   38   HG22  THR   6          1HG2      THR   6   2.118  -6.505  -4.626
   39   HG23  THR   6          2HG2      THR   6   0.449  -5.903  -4.761
   40    H    LEU   7           H        LEU   7  -1.743  -5.249  -3.948
   41    HA   LEU   7           HA       LEU   7  -0.379  -2.787  -3.384
   42    HB2  LEU   7           2HB      LEU   7  -1.076  -2.317  -5.375
   43    HB3  LEU   7           1HB      LEU   7  -1.824  -3.897  -5.437
   44    HG   LEU   7           HG       LEU   7  -3.291  -2.379  -6.353
   45   HD11  LEU   7          1HD1      LEU   7  -5.074  -2.354  -4.204
   46   HD12  LEU   7          2HD1      LEU   7  -4.069  -3.807  -3.999
   47   HD13  LEU   7          3HD1      LEU   7  -4.946  -3.540  -5.525
   48   HD21  LEU   7          3HD2      LEU   7  -3.293  -0.656  -3.882
   49   HD22  LEU   7          1HD2      LEU   7  -2.395  -0.307  -5.379
   50   HD23  LEU   7          2HD2      LEU   7  -4.173  -0.381  -5.405
   51    H    THR   8           H        THR   8  -2.883  -4.499  -1.748
   52    HA   THR   8           HA       THR   8  -4.218  -2.106  -0.721
   53    HB   THR   8           HB       THR   8  -4.758  -5.060  -0.239
   54    HG1  THR   8           1HG      THR   8  -6.442  -4.651  -1.913
   55   HG21  THR   8          3HG2      THR   8  -6.570  -2.629   0.065
   56   HG22  THR   8          1HG2      THR   8  -7.045  -4.328   0.311
   57   HG23  THR   8          2HG2      THR   8  -5.862  -3.567   1.402
   58    H    ARG   9           H        ARG   9  -1.620  -4.253   0.081
   59    HA   ARG   9           HA       ARG   9  -1.725  -3.511   2.921
   60    HB2  ARG   9           2HB      ARG   9  -1.479  -5.885   2.096
   61    HB3  ARG   9           1HB      ARG   9   0.139  -5.433   1.514
   62    HG2  ARG   9           2HG      ARG   9   0.998  -5.219   3.651
   63    HG3  ARG   9           1HG      ARG   9  -0.571  -4.739   4.351
   64    HD2  ARG   9           1HD      ARG   9  -1.415  -7.000   4.165
   65    HD3  ARG   9           2HD      ARG   9   0.014  -7.512   3.238
   66    HE   ARG   9           HE       ARG   9   0.747  -6.407   5.777
   67   HH11  ARG   9          2HH2      ARG   9  -0.621  -9.300   4.360
   68   HH12  ARG   9          1HH2      ARG   9   0.015 -10.370   5.569
   69   HH21  ARG   9          2HH1      ARG   9   1.597  -7.833   7.358
   70   HH22  ARG   9          1HH1      ARG   9   1.254  -9.527   7.253
   71    H    TRP  10           H        TRP  10   0.886  -3.596   0.307
   72    HA   TRP  10           HA       TRP  10   2.581  -1.840   1.548
   73    HB2  TRP  10           2HB      TRP  10   3.666  -2.581  -0.216
   74    HB3  TRP  10           1HB      TRP  10   2.165  -2.955  -1.073
   75    HD1  TRP  10           HD       TRP  10   1.442  -1.415  -2.979
   76    HE1  TRP  10           1HE      TRP  10   2.368   0.686  -4.071
   77    HE3  TRP  10           3HE      TRP  10   5.122  -0.422   0.334
   78    HZ2  TRP  10           2HZ      TRP  10   4.444   2.531  -3.579
   79    HZ3  TRP  10           3HZ      TRP  10   6.352   1.731   0.182
   80    HH2  TRP  10           HH       TRP  10   6.076   3.162  -1.826
   81    H    ALA  11           H        ALA  11  -0.449  -1.018  -0.100
   82    HA   ALA  11           HA       ALA  11  -0.061   1.811  -0.143
   83    HB1  ALA  11           1HB      ALA  11  -2.557   1.874  -0.408
   84    HB2  ALA  11           2HB      ALA  11  -1.695   0.886  -1.612
   85    HB3  ALA  11           3HB      ALA  11  -2.553   0.099  -0.265
   86    H    HIS  12           H        HIS  12  -0.305  -0.176   2.541
   87    HA   HIS  12           HA       HIS  12  -1.549   1.932   4.207
   88    HB2  HIS  12           1HB      HIS  12  -1.467  -1.027   4.227
   89    HB3  HIS  12           2HB      HIS  12  -1.251  -0.258   5.806
   90    HD1  HIS  12           1HD      HIS  12  -3.570  -1.059   6.632
   91    HD2  HIS  12           2HD      HIS  12  -3.711   1.310   3.254
   92    HE1  HIS  12           1HE      HIS  12  -5.998  -0.298   6.401
   93    HE2  HIS  12           2HE      HIS  12  -6.045   1.175   4.307
   94    H    TYR  13           H        TYR  13   1.398   1.259   3.066
   95    HA   TYR  13           HA       TYR  13   2.837   1.703   5.617
   96    HB2  TYR  13           2HB      TYR  13   3.104  -0.240   3.716
   97    HB3  TYR  13           1HB      TYR  13   4.250   0.975   3.103
   98    HD1  TYR  13           2HD      TYR  13   3.355  -1.207   5.898
   99    HD2  TYR  13           1HD      TYR  13   6.272   1.570   4.411
  100    HE1  TYR  13           2HE      TYR  13   5.019  -2.140   7.464
  101    HE2  TYR  13           1HE      TYR  13   7.946   0.661   5.995
  102    HH   TYR  13           HH       TYR  13   7.001  -1.835   8.403
  103    H    ASN  14           H        ASN  14   3.468   2.424   2.126
  104    HA   ASN  14           HA       ASN  14   4.736   4.901   2.527
  105    HB2  ASN  14           2HB      ASN  14   4.397   5.243   0.142
  106    HB3  ASN  14           1HB      ASN  14   4.900   3.569   0.461
  107   HD21  ASN  14          2HD2      ASN  14   2.103   5.658  -0.305
  108   HD22  ASN  14          1HD2      ASN  14   1.132   4.386  -0.932
  109    H    ALA  15           H        ALA  15   1.340   4.160   2.895
  110    HA   ALA  15           HA       ALA  15   0.005   6.416   2.077
  111    HB1  ALA  15           1HB      ALA  15  -0.993   4.406   3.110
  112    HB2  ALA  15           2HB      ALA  15  -0.329   4.895   4.687
  113    HB3  ALA  15           3HB      ALA  15  -1.560   5.902   3.889
  114    H    LEU  16           H        LEU  16   2.303   6.116   4.718
  115    HA   LEU  16           HA       LEU  16   1.892   8.922   5.532
  116    HB2  LEU  16           1HB      LEU  16   2.340   6.536   6.951
  117    HB3  LEU  16           2HB      LEU  16   3.853   7.455   7.074
  118    HG   LEU  16           HG       LEU  16   1.155   8.741   7.584
  119   HD11  LEU  16          1HD1      LEU  16   1.386   6.777   9.078
  120   HD12  LEU  16          2HD1      LEU  16   1.493   8.306   9.983
  121   HD13  LEU  16          3HD1      LEU  16   2.970   7.381   9.619
  122   HD21  LEU  16          3HD2      LEU  16   3.971   9.402   8.547
  123   HD22  LEU  16          1HD2      LEU  16   3.101  10.242   7.241
  124   HD23  LEU  16          2HD2      LEU  16   2.494  10.326   8.912
  125    H    ILE  17           H        ILE  17   4.310   6.726   4.063
  126    HA   ILE  17           HA       ILE  17   6.383   8.739   3.964
  127    HB   ILE  17           HB       ILE  17   6.306   6.097   2.473
  128   HG12  ILE  17          2HG1      ILE  17   7.400   6.495   5.278
  129   HG13  ILE  17          1HG1      ILE  17   5.774   5.871   4.972
  130   HG21  ILE  17          1HG2      ILE  17   8.130   7.704   1.926
  131   HG22  ILE  17          2HG2      ILE  17   8.588   7.753   3.646
  132   HG23  ILE  17          3HG2      ILE  17   8.755   6.239   2.723
  133   HD11  ILE  17          3HD1      ILE  17   6.723   3.943   3.757
  134   HD12  ILE  17          1HD1      ILE  17   7.353   4.040   5.419
  135   HD13  ILE  17          2HD1      ILE  17   8.365   4.565   4.052
  136    H    ARG  18           H        ARG  18   3.538   8.624   2.330
  137    HA   ARG  18           HA       ARG  18   4.610   9.600  -0.216
  138    HB2  ARG  18           2HB      ARG  18   2.125   8.329   0.678
  139    HB3  ARG  18           1HB      ARG  18   1.835   9.766  -0.323
  140    HG2  ARG  18           1HG      ARG  18   3.795   8.560  -1.780
  141    HG3  ARG  18           2HG      ARG  18   3.003   7.134  -1.064
  142    HD2  ARG  18           1HD      ARG  18   0.852   8.742  -1.789
  143    HD3  ARG  18           2HD      ARG  18   2.008   9.012  -3.113
  144    HE   ARG  18           HE       ARG  18   1.824   6.796  -3.741
  145   HH11  ARG  18          2HH2      ARG  18  -0.010   7.277  -0.780
  146   HH12  ARG  18          1HH2      ARG  18  -0.841   5.762  -0.883
  147   HH21  ARG  18          2HH1      ARG  18   0.761   4.781  -3.820
  148   HH22  ARG  18          1HH1      ARG  18  -0.412   4.367  -2.619
  149    H    ALA  19           H        ALA  19   2.390  10.650   2.412
  150    HA   ALA  19           HA       ALA  19   1.452  12.574   2.983
  151    HB1  ALA  19           1HB      ALA  19   2.854  14.611   2.913
  152    HB2  ALA  19           2HB      ALA  19   3.732  13.195   3.538
  153    HB3  ALA  19           3HB      ALA  19   4.018  13.755   1.874
  154    H    PHE  20           H        PHE  20  -0.141  11.996   1.407
  155    HA   PHE  20           HA       PHE  20  -0.323  13.811  -0.917
  156    HB2  PHE  20           2HB      PHE  20  -0.487  11.443  -1.408
  157    HB3  PHE  20           1HB      PHE  20  -1.716  11.224  -0.150
  158    HD1  PHE  20           2HD      PHE  20  -4.043  12.006  -0.495
  159    HD2  PHE  20           1HD      PHE  20  -1.064  12.397  -3.570
  160    HE1  PHE  20           2HE      PHE  20  -5.803  12.604  -2.111
  161    HE2  PHE  20           1HE      PHE  20  -2.852  12.868  -5.223
  162    HZ   PHE  20           HZ       PHE  20  -5.224  12.959  -4.498
  Start of MODEL   17
    1    H1   HIS   1           H        HIS   1  -8.990 -10.949  -4.826
    2    HA   HIS   1           HA       HIS   1  -9.821 -12.438  -7.093
    3    HB2  HIS   1           1HB      HIS   1  -8.296  -9.908  -7.766
    4    HB3  HIS   1           2HB      HIS   1  -8.477 -11.281  -8.870
    5    HD1  HIS   1           1HD      HIS   1 -10.744 -11.323 -10.206
    6    HD2  HIS   1           2HD      HIS   1 -10.590  -8.542  -7.153
    7    HE1  HIS   1           1HE      HIS   1 -12.867  -9.923 -10.415
    8    HE2  HIS   1           2HE      HIS   1 -12.726  -8.203  -8.523
    9    H    GLY   2           H        GLY   2  -6.803 -10.589  -6.293
   10    HA2  GLY   2           2HA      GLY   2  -5.449 -12.676  -4.986
   11    HA3  GLY   2           1HA      GLY   2  -4.976 -12.696  -6.699
   12    H    LEU   3           H        LEU   3  -3.721 -11.062  -7.556
   13    HA   LEU   3           HA       LEU   3  -2.083  -9.548  -5.894
   14    HB2  LEU   3           1HB      LEU   3  -1.197  -8.505  -7.837
   15    HB3  LEU   3           2HB      LEU   3  -1.512 -10.209  -8.203
   16    HG   LEU   3           HG       LEU   3  -3.716  -8.341  -8.868
   17   HD11  LEU   3          1HD1      LEU   3  -2.594  -7.526 -10.918
   18   HD12  LEU   3          2HD1      LEU   3  -1.077  -8.287 -10.381
   19   HD13  LEU   3          3HD1      LEU   3  -1.781  -6.948  -9.444
   20   HD21  LEU   3          3HD2      LEU   3  -3.803  -9.716 -10.903
   21   HD22  LEU   3          1HD2      LEU   3  -3.760 -10.743  -9.450
   22   HD23  LEU   3          2HD2      LEU   3  -2.291 -10.528 -10.432
   23    H    ALA   4           H        ALA   4  -5.015  -8.424  -7.679
   24    HA   ALA   4           HA       ALA   4  -5.156  -5.839  -7.012
   25    HB1  ALA   4           1HB      ALA   4  -6.838  -7.115  -8.299
   26    HB2  ALA   4           2HB      ALA   4  -7.447  -7.820  -6.782
   27    HB3  ALA   4           3HB      ALA   4  -7.585  -6.070  -7.067
   28    H    SER   5           H        SER   5  -5.325  -8.455  -4.672
   29    HA   SER   5           HA       SER   5  -6.347  -6.741  -2.509
   30    HB2  SER   5           1HB      SER   5  -7.125  -9.153  -2.943
   31    HB3  SER   5           2HB      SER   5  -5.519  -9.654  -2.359
   32    HG   SER   5           HG       SER   5  -7.122  -9.564  -0.632
   33    H    THR   6           H        THR   6  -3.406  -8.710  -3.374
   34    HA   THR   6           HA       THR   6  -1.749  -7.970  -1.316
   35    HB   THR   6           HB       THR   6   0.119  -8.483  -2.708
   36    HG1  THR   6           1HG      THR   6  -1.557  -7.641  -4.794
   37   HG21  THR   6          3HG2      THR   6  -1.212 -10.398  -1.984
   38   HG22  THR   6          1HG2      THR   6  -0.519 -10.696  -3.597
   39   HG23  THR   6          2HG2      THR   6  -2.237 -10.259  -3.432
   40    H    LEU   7           H        LEU   7  -2.795  -5.947  -3.993
   41    HA   LEU   7           HA       LEU   7  -0.943  -3.793  -3.291
   42    HB2  LEU   7           2HB      LEU   7  -2.859  -4.332  -5.556
   43    HB3  LEU   7           1HB      LEU   7  -2.247  -2.694  -5.246
   44    HG   LEU   7           HG       LEU   7  -0.006  -4.431  -5.142
   45   HD11  LEU   7          1HD1      LEU   7  -0.387  -5.025  -7.779
   46   HD12  LEU   7          2HD1      LEU   7  -2.033  -5.263  -7.142
   47   HD13  LEU   7          3HD1      LEU   7  -0.669  -6.170  -6.445
   48   HD21  LEU   7          3HD2      LEU   7  -0.007  -2.074  -5.827
   49   HD22  LEU   7          1HD2      LEU   7   0.711  -3.093  -7.097
   50   HD23  LEU   7          2HD2      LEU   7  -0.950  -2.482  -7.280
   51    H    THR   8           H        THR   8  -3.779  -4.847  -1.963
   52    HA   THR   8           HA       THR   8  -4.851  -2.171  -1.402
   53    HB   THR   8           HB       THR   8  -5.928  -4.986  -1.010
   54    HG1  THR   8           1HG      THR   8  -7.331  -4.312  -2.727
   55   HG21  THR   8          3HG2      THR   8  -7.380  -2.353  -0.513
   56   HG22  THR   8          1HG2      THR   8  -8.101  -3.980  -0.466
   57   HG23  THR   8          2HG2      THR   8  -6.888  -3.509   0.747
   58    H    ARG   9           H        ARG   9  -2.805  -4.617  -0.055
   59    HA   ARG   9           HA       ARG   9  -3.139  -3.604   2.680
   60    HB2  ARG   9           1HB      ARG   9  -2.943  -6.105   1.962
   61    HB3  ARG   9           2HB      ARG   9  -1.202  -5.755   1.843
   62    HG2  ARG   9           1HG      ARG   9  -1.929  -4.581   4.261
   63    HG3  ARG   9           2HG      ARG   9  -2.902  -6.067   4.225
   64    HD2  ARG   9           1HD      ARG   9  -1.059  -7.149   4.949
   65    HD3  ARG   9           2HD      ARG   9  -0.377  -6.885   3.326
   66    HE   ARG   9           HE       ARG   9   0.945  -5.170   4.160
   67   HH11  ARG   9          2HH2      ARG   9  -1.435  -5.868   6.665
   68   HH12  ARG   9          1HH2      ARG   9  -0.593  -4.924   7.852
   69   HH21  ARG   9          2HH1      ARG   9   1.983  -3.959   5.780
   70   HH22  ARG   9          1HH1      ARG   9   1.315  -3.946   7.367
   71    H    TRP  10           H        TRP  10  -0.215  -4.258   0.492
   72    HA   TRP  10           HA       TRP  10   1.489  -2.561   1.807
   73    HB2  TRP  10           1HB      TRP  10   2.723  -3.606   0.323
   74    HB3  TRP  10           2HB      TRP  10   1.332  -3.938  -0.718
   75    HD1  TRP  10           HD       TRP  10   1.092  -2.550  -2.874
   76    HE1  TRP  10           1HE      TRP  10   2.441  -0.719  -4.006
   77    HE3  TRP  10           3HE      TRP  10   4.329  -1.593   0.880
   78    HZ2  TRP  10           2HZ      TRP  10   4.640   0.935  -3.348
   79    HZ3  TRP  10           3HZ      TRP  10   5.838   0.368   0.731
   80    HH2  TRP  10           HH       TRP  10   6.043   1.589  -1.419
   81    H    ALA  11           H        ALA  11  -1.145  -1.613  -0.330
   82    HA   ALA  11           HA       ALA  11  -0.395   1.124  -0.667
   83    HB1  ALA  11           1HB      ALA  11  -2.860   1.348  -1.249
   84    HB2  ALA  11           2HB      ALA  11  -2.984  -0.406  -0.974
   85    HB3  ALA  11           3HB      ALA  11  -1.906   0.223  -2.243
   86    H    HIS  12           H        HIS  12  -1.280  -0.490   2.201
   87    HA   HIS  12           HA       HIS  12  -2.678   1.783   3.361
   88    HB2  HIS  12           2HB      HIS  12  -3.437   0.329   4.859
   89    HB3  HIS  12           1HB      HIS  12  -2.817  -0.906   3.758
   90    HD1  HIS  12           1HD      HIS  12  -1.491   1.019   6.759
   91    HD2  HIS  12           2HD      HIS  12  -1.116  -2.609   4.845
   92    HE1  HIS  12           1HE      HIS  12   0.052  -0.387   8.232
   93    HE2  HIS  12           2HE      HIS  12   0.329  -2.585   6.959
   94    H    TYR  13           H        TYR  13   0.570   0.642   2.960
   95    HA   TYR  13           HA       TYR  13   1.790   1.930   5.223
   96    HB2  TYR  13           1HB      TYR  13   2.828  -0.010   4.294
   97    HB3  TYR  13           2HB      TYR  13   2.813   0.675   2.659
   98    HD1  TYR  13           2HD      TYR  13   4.329   0.972   6.039
   99    HD2  TYR  13           1HD      TYR  13   4.562   2.222   1.932
  100    HE1  TYR  13           2HE      TYR  13   6.621   1.797   6.418
  101    HE2  TYR  13           1HE      TYR  13   6.795   3.163   2.334
  102    HH   TYR  13           HH       TYR  13   8.279   3.051   5.593
  103    H    ASN  14           H        ASN  14   2.570   2.523   1.779
  104    HA   ASN  14           HA       ASN  14   3.363   5.128   1.983
  105    HB2  ASN  14           2HB      ASN  14   3.255   5.268  -0.372
  106    HB3  ASN  14           1HB      ASN  14   3.592   3.567  -0.001
  107   HD21  ASN  14          2HD2      ASN  14   2.169   1.976  -0.832
  108   HD22  ASN  14          1HD2      ASN  14   0.611   2.426  -1.476
  109    H    ALA  15           H        ALA  15   0.010   3.993   2.054
  110    HA   ALA  15           HA       ALA  15  -1.411   6.229   1.229
  111    HB1  ALA  15           1HB      ALA  15  -2.803   5.354   3.443
  112    HB2  ALA  15           2HB      ALA  15  -2.910   4.639   1.816
  113    HB3  ALA  15           3HB      ALA  15  -1.820   3.928   3.032
  114    H    LEU  16           H        LEU  16   0.139   5.590   4.384
  115    HA   LEU  16           HA       LEU  16  -0.403   8.360   5.276
  116    HB2  LEU  16           2HB      LEU  16  -1.234   6.510   6.701
  117    HB3  LEU  16           1HB      LEU  16   0.420   5.887   6.836
  118    HG   LEU  16           HG       LEU  16   0.898   8.366   7.661
  119   HD11  LEU  16          1HD1      LEU  16  -0.916   9.221   9.094
  120   HD12  LEU  16          2HD1      LEU  16  -1.362   9.216   7.372
  121   HD13  LEU  16          3HD1      LEU  16  -2.000   7.961   8.459
  122   HD21  LEU  16          3HD2      LEU  16  -0.263   6.156   9.380
  123   HD22  LEU  16          1HD2      LEU  16   0.693   7.534   9.977
  124   HD23  LEU  16          2HD2      LEU  16   1.436   6.344   8.881
  125    H    ILE  17           H        ILE  17   2.190   5.995   4.559
  126    HA   ILE  17           HA       ILE  17   4.319   7.781   5.415
  127    HB   ILE  17           HB       ILE  17   4.364   5.160   3.898
  128   HG12  ILE  17          1HG1      ILE  17   3.261   4.875   6.046
  129   HG13  ILE  17          2HG1      ILE  17   4.781   3.988   5.937
  130   HG21  ILE  17          1HG2      ILE  17   6.706   5.182   5.287
  131   HG22  ILE  17          2HG2      ILE  17   6.535   6.903   4.868
  132   HG23  ILE  17          3HG2      ILE  17   6.524   5.669   3.585
  133   HD11  ILE  17          3HD1      ILE  17   4.317   6.559   7.499
  134   HD12  ILE  17          1HD1      ILE  17   4.463   4.921   8.177
  135   HD13  ILE  17          2HD1      ILE  17   5.864   5.685   7.389
  136    H    ARG  18           H        ARG  18   2.239   8.244   2.968
  137    HA   ARG  18           HA       ARG  18   3.594   8.570   0.649
  138    HB2  ARG  18           2HB      ARG  18   1.255   9.862   1.874
  139    HB3  ARG  18           1HB      ARG  18   2.121  10.911   0.729
  140    HG2  ARG  18           1HG      ARG  18   2.096   8.531  -0.636
  141    HG3  ARG  18           2HG      ARG  18   0.553   8.444   0.238
  142    HD2  ARG  18           2HD      ARG  18   0.131  10.840  -0.643
  143    HD3  ARG  18           1HD      ARG  18   1.476  10.523  -1.765
  144    HE   ARG  18           HE       ARG  18   0.199   8.876  -2.836
  145   HH11  ARG  18          2HH2      ARG  18  -1.550   9.978  -0.005
  146   HH12  ARG  18          1HH2      ARG  18  -3.076   9.352  -0.534
  147   HH21  ARG  18          2HH1      ARG  18  -1.825   8.013  -3.488
  148   HH22  ARG  18          1HH1      ARG  18  -3.209   8.242  -2.473
  149    H    ALA  19           H        ALA  19   4.712  10.127  -0.394
  150    HA   ALA  19           HA       ALA  19   6.415  11.569  -0.696
  151    HB1  ALA  19           1HB      ALA  19   6.196  13.800   0.368
  152    HB2  ALA  19           2HB      ALA  19   4.654  13.225  -0.309
  153    HB3  ALA  19           3HB      ALA  19   4.937  13.150   1.446
  154    H    PHE  20           H        PHE  20   7.550   9.612   0.351
  155    HA   PHE  20           HA       PHE  20   8.922   8.634   1.816
  156    HB2  PHE  20           2HB      PHE  20  10.486   9.846   0.685
  157    HB3  PHE  20           1HB      PHE  20   9.915  11.396   1.319
  158    HD1  PHE  20           2HD      PHE  20  11.546   8.222   2.547
  159    HD2  PHE  20           1HD      PHE  20  10.965  12.439   3.052
  160    HE1  PHE  20           2HE      PHE  20  13.207   8.230   4.388
  161    HE2  PHE  20           1HE      PHE  20  12.628  12.461   4.885
  162    HZ   PHE  20           HZ       PHE  20  13.783  10.358   5.529
  Start of MODEL   18
    1    H1   HIS   1           H        HIS   1  -6.439 -10.832  -7.693
    2    HA   HIS   1           HA       HIS   1  -7.592 -11.426  -5.186
    3    HB2  HIS   1           1HB      HIS   1  -8.440 -13.199  -7.370
    4    HB3  HIS   1           2HB      HIS   1  -7.803 -14.044  -5.953
    5    HD1  HIS   1           1HD      HIS   1 -10.039 -14.897  -4.999
    6    HD2  HIS   1           2HD      HIS   1 -10.039 -10.851  -5.815
    7    HE1  HIS   1           1HE      HIS   1 -12.242 -13.989  -4.080
    8    HE2  HIS   1           2HE      HIS   1 -12.202 -11.488  -4.597
    9    H    GLY   2           H        GLY   2  -5.232 -10.562  -5.438
   10    HA2  GLY   2           1HA      GLY   2  -3.451 -12.420  -4.326
   11    HA3  GLY   2           2HA      GLY   2  -3.078 -12.289  -6.057
   12    H    LEU   3           H        LEU   3  -2.309 -10.315  -6.924
   13    HA   LEU   3           HA       LEU   3  -0.793  -8.674  -5.255
   14    HB2  LEU   3           2HB      LEU   3  -0.306  -7.318  -7.148
   15    HB3  LEU   3           1HB      LEU   3  -0.348  -9.015  -7.651
   16    HG   LEU   3           HG       LEU   3  -2.875  -7.465  -7.963
   17   HD11  LEU   3          1HD1      LEU   3  -2.082  -6.473 -10.088
   18   HD12  LEU   3          2HD1      LEU   3  -1.184  -5.838  -8.688
   19   HD13  LEU   3          3HD1      LEU   3  -0.439  -7.063  -9.743
   20   HD21  LEU   3          3HD2      LEU   3  -1.377  -9.422  -9.753
   21   HD22  LEU   3          1HD2      LEU   3  -2.700  -9.841  -8.637
   22   HD23  LEU   3          2HD2      LEU   3  -3.015  -8.786 -10.036
   23    H    ALA   4           H        ALA   4  -4.085  -8.086  -6.549
   24    HA   ALA   4           HA       ALA   4  -4.532  -5.521  -5.709
   25    HB1  ALA   4           1HB      ALA   4  -6.084  -6.913  -7.035
   26    HB2  ALA   4           2HB      ALA   4  -6.896  -6.133  -5.657
   27    HB3  ALA   4           3HB      ALA   4  -6.469  -7.858  -5.576
   28    H    SER   5           H        SER   5  -4.079  -8.325  -3.691
   29    HA   SER   5           HA       SER   5  -5.164  -7.124  -1.244
   30    HB2  SER   5           2HB      SER   5  -5.624  -9.476  -1.520
   31    HB3  SER   5           1HB      SER   5  -3.922  -9.820  -1.900
   32    HG   SER   5           HG       SER   5  -4.285 -10.354   0.297
   33    H    THR   6           H        THR   6  -1.992  -8.368  -2.550
   34    HA   THR   6           HA       THR   6  -0.333  -7.516  -0.555
   35    HB   THR   6           HB       THR   6   1.475  -7.519  -2.128
   36    HG1  THR   6           1HG      THR   6  -0.527  -6.845  -3.975
   37   HG21  THR   6          3HG2      THR   6   0.592  -9.708  -1.498
   38   HG22  THR   6          1HG2      THR   6   1.175  -9.732  -3.180
   39   HG23  THR   6          2HG2      THR   6  -0.571  -9.647  -2.843
   40    H    LEU   7           H        LEU   7  -1.948  -5.469  -2.890
   41    HA   LEU   7           HA       LEU   7  -0.474  -3.069  -2.090
   42    HB2  LEU   7           1HB      LEU   7  -2.496  -3.761  -4.226
   43    HB3  LEU   7           2HB      LEU   7  -2.097  -2.076  -3.834
   44    HG   LEU   7           HG       LEU   7   0.326  -3.643  -4.156
   45   HD11  LEU   7          1HD1      LEU   7  -1.080  -5.048  -5.631
   46   HD12  LEU   7          2HD1      LEU   7  -1.584  -3.596  -6.528
   47   HD13  LEU   7          3HD1      LEU   7   0.118  -4.119  -6.565
   48   HD21  LEU   7          3HD2      LEU   7  -0.880  -1.316  -5.711
   49   HD22  LEU   7          1HD2      LEU   7   0.817  -1.850  -5.795
   50   HD23  LEU   7          2HD2      LEU   7   0.167  -1.184  -4.277
   51    H    THR   8           H        THR   8  -2.948  -4.781  -0.677
   52    HA   THR   8           HA       THR   8  -4.411  -2.421   0.264
   53    HB   THR   8           HB       THR   8  -4.874  -5.419   0.453
   54    HG1  THR   8           1HG      THR   8  -6.618  -4.846  -1.020
   55   HG21  THR   8          3HG2      THR   8  -6.750  -3.200   1.364
   56   HG22  THR   8          1HG2      THR   8  -7.131  -4.937   1.289
   57   HG23  THR   8          2HG2      THR   8  -5.907  -4.343   2.436
   58    H    ARG   9           H        ARG   9  -1.809  -4.514   1.172
   59    HA   ARG   9           HA       ARG   9  -2.011  -3.706   3.997
   60    HB2  ARG   9           2HB      ARG   9  -0.198  -5.722   2.652
   61    HB3  ARG   9           1HB      ARG   9  -0.114  -5.266   4.362
   62    HG2  ARG   9           1HG      ARG   9  -1.426  -7.115   4.583
   63    HG3  ARG   9           2HG      ARG   9  -2.713  -5.932   4.259
   64    HD2  ARG   9           2HD      ARG   9  -3.169  -6.809   2.198
   65    HD3  ARG   9           1HD      ARG   9  -1.452  -7.122   1.841
   66    HE   ARG   9           HE       ARG   9  -3.359  -8.884   3.152
   67   HH11  ARG   9          2HH2      ARG   9   0.078  -8.330   2.571
   68   HH12  ARG   9          1HH2      ARG   9   0.533  -9.946   2.998
   69   HH21  ARG   9          2HH1      ARG   9  -2.694 -10.975   3.755
   70   HH22  ARG   9          1HH1      ARG   9  -1.025 -11.418   3.641
   71    H    TRP  10           H        TRP  10   0.594  -3.811   1.408
   72    HA   TRP  10           HA       TRP  10   2.336  -2.104   2.767
   73    HB2  TRP  10           1HB      TRP  10   3.524  -2.981   1.137
   74    HB3  TRP  10           2HB      TRP  10   2.082  -3.387   0.196
   75    HD1  TRP  10           HD       TRP  10   1.502  -1.896  -1.829
   76    HE1  TRP  10           1HE      TRP  10   2.584   0.098  -2.970
   77    HE3  TRP  10           3HE      TRP  10   5.066  -0.930   1.611
   78    HZ2  TRP  10           2HZ      TRP  10   4.729   1.862  -2.454
   79    HZ3  TRP  10           3HZ      TRP  10   6.422   1.144   1.421
   80    HH2  TRP  10           HH       TRP  10   6.302   2.498  -0.650
   81    H    ALA  11           H        ALA  11  -0.554  -1.349   0.900
   82    HA   ALA  11           HA       ALA  11  -0.079   1.498   0.785
   83    HB1  ALA  11           1HB      ALA  11  -2.343   1.601  -0.082
   84    HB2  ALA  11           2HB      ALA  11  -2.634  -0.089   0.391
   85    HB3  ALA  11           3HB      ALA  11  -1.450   0.286  -0.883
   86    H    HIS  12           H        HIS  12  -0.543  -0.368   3.469
   87    HA   HIS  12           HA       HIS  12  -1.933   1.814   4.891
   88    HB2  HIS  12           1HB      HIS  12  -1.952  -1.102   4.995
   89    HB3  HIS  12           2HB      HIS  12  -1.615  -0.386   6.582
   90    HD1  HIS  12           1HD      HIS  12  -3.787  -0.285   7.805
   91    HD2  HIS  12           2HD      HIS  12  -4.217   0.626   3.807
   92    HE1  HIS  12           1HE      HIS  12  -6.254   0.311   7.475
   93    HE2  HIS  12           2HE      HIS  12  -6.482   0.864   4.993
   94    H    TYR  13           H        TYR  13   1.116   1.034   4.059
   95    HA   TYR  13           HA       TYR  13   2.372   1.754   6.635
   96    HB2  TYR  13           1HB      TYR  13   3.217   0.282   4.145
   97    HB3  TYR  13           2HB      TYR  13   4.447   1.046   5.171
   98    HD1  TYR  13           2HD      TYR  13   1.893  -1.611   4.971
   99    HD2  TYR  13           1HD      TYR  13   4.915   0.256   7.365
  100    HE1  TYR  13           2HE      TYR  13   2.017  -3.645   6.364
  101    HE2  TYR  13           1HE      TYR  13   5.078  -1.778   8.763
  102    HH   TYR  13           HH       TYR  13   2.803  -4.514   8.258
  103    H    ASN  14           H        ASN  14   3.704   2.194   3.370
  104    HA   ASN  14           HA       ASN  14   4.482   4.867   3.746
  105    HB2  ASN  14           2HB      ASN  14   5.279   3.036   2.058
  106    HB3  ASN  14           1HB      ASN  14   3.992   3.690   1.023
  107   HD21  ASN  14          2HD2      ASN  14   4.113   6.017   0.434
  108   HD22  ASN  14          1HD2      ASN  14   5.693   6.740   0.395
  109    H    ALA  15           H        ALA  15   1.253   3.661   3.052
  110    HA   ALA  15           HA       ALA  15  -0.016   5.609   1.674
  111    HB1  ALA  15           1HB      ALA  15  -1.393   5.269   4.189
  112    HB2  ALA  15           2HB      ALA  15  -0.674   3.721   3.686
  113    HB3  ALA  15           3HB      ALA  15  -1.784   4.584   2.593
  114    H    LEU  16           H        LEU  16   1.449   6.017   4.884
  115    HA   LEU  16           HA       LEU  16   0.560   8.827   5.006
  116    HB2  LEU  16           2HB      LEU  16   0.724   6.772   6.912
  117    HB3  LEU  16           1HB      LEU  16   2.054   7.883   7.301
  118    HG   LEU  16           HG       LEU  16  -0.787   8.831   6.801
  119   HD11  LEU  16          1HD1      LEU  16  -0.749   7.236   8.697
  120   HD12  LEU  16          2HD1      LEU  16   0.548   8.185   9.461
  121   HD13  LEU  16          3HD1      LEU  16  -1.067   8.900   9.243
  122   HD21  LEU  16          3HD2      LEU  16  -0.051  10.830   8.035
  123   HD22  LEU  16          1HD2      LEU  16   0.995  10.549   6.623
  124   HD23  LEU  16          2HD2      LEU  16   1.565  10.116   8.253
  125    H    ILE  17           H        ILE  17   3.487   6.806   4.717
  126    HA   ILE  17           HA       ILE  17   5.308   9.052   4.891
  127    HB   ILE  17           HB       ILE  17   5.842   6.227   3.961
  128   HG12  ILE  17          2HG1      ILE  17   4.764   5.899   6.050
  129   HG13  ILE  17          1HG1      ILE  17   6.498   5.638   6.251
  130   HG21  ILE  17          1HG2      ILE  17   7.662   7.868   3.605
  131   HG22  ILE  17          2HG2      ILE  17   7.709   8.158   5.360
  132   HG23  ILE  17          3HG2      ILE  17   8.107   6.549   4.713
  133   HD11  ILE  17          3HD1      ILE  17   6.721   7.826   7.367
  134   HD12  ILE  17          1HD1      ILE  17   5.545   6.783   8.200
  135   HD13  ILE  17          2HD1      ILE  17   4.976   8.110   7.161
  136    H    ARG  18           H        ARG  18   3.098   8.432   2.608
  137    HA   ARG  18           HA       ARG  18   4.687   8.727   0.193
  138    HB2  ARG  18           1HB      ARG  18   2.217   7.625   0.859
  139    HB3  ARG  18           2HB      ARG  18   1.767   9.151   0.075
  140    HG2  ARG  18           2HG      ARG  18   3.761   7.263  -1.197
  141    HG3  ARG  18           1HG      ARG  18   2.016   7.017  -1.383
  142    HD2  ARG  18           1HD      ARG  18   1.728   9.011  -2.594
  143    HD3  ARG  18           2HD      ARG  18   3.270   9.690  -2.029
  144    HE   ARG  18           HE       ARG  18   2.835   7.952  -4.288
  145   HH11  ARG  18          2HH2      ARG  18   5.295   8.752  -1.900
  146   HH12  ARG  18          1HH2      ARG  18   6.613   8.361  -2.953
  147   HH21  ARG  18          2HH1      ARG  18   4.619   7.362  -5.602
  148   HH22  ARG  18          1HH1      ARG  18   6.221   7.544  -4.978
  149    H    ALA  19           H        ALA  19   4.922  10.548  -0.978
  150    HA   ALA  19           HA       ALA  19   3.568  13.015  -0.081
  151    HB1  ALA  19           1HB      ALA  19   5.712  14.212  -0.453
  152    HB2  ALA  19           2HB      ALA  19   6.508  12.654  -0.783
  153    HB3  ALA  19           3HB      ALA  19   5.838  12.988   0.832
  154    H    PHE  20           H        PHE  20   2.230  11.873  -1.900
  155    HA   PHE  20           HA       PHE  20   2.838  11.802  -4.547
  156    HB2  PHE  20           1HB      PHE  20   0.701  11.190  -3.341
  157    HB3  PHE  20           2HB      PHE  20   0.249  12.905  -3.403
  158    HD1  PHE  20           2HD      PHE  20   1.396  10.119  -5.611
  159    HD2  PHE  20           1HD      PHE  20  -0.945  13.708  -5.310
  160    HE1  PHE  20           2HE      PHE  20   0.450   9.684  -7.859
  161    HE2  PHE  20           1HE      PHE  20  -1.905  13.264  -7.554
  162    HZ   PHE  20           HZ       PHE  20  -1.198  11.262  -8.836
  Start of MODEL   19
    1    H1   HIS   1           H        HIS   1  -7.759 -11.513  -4.057
    2    HA   HIS   1           HA       HIS   1  -8.518 -13.048  -6.318
    3    HB2  HIS   1           2HB      HIS   1  -8.950 -10.646  -7.144
    4    HB3  HIS   1           1HB      HIS   1  -7.188 -10.476  -7.177
    5    HD1  HIS   1           1HD      HIS   1  -9.868 -11.411  -9.394
    6    HD2  HIS   1           2HD      HIS   1  -5.963 -12.593  -8.771
    7    HE1  HIS   1           1HE      HIS   1  -9.151 -12.643 -11.515
    8    HE2  HIS   1           2HE      HIS   1  -6.725 -13.320 -11.105
    9    H    GLY   2           H        GLY   2  -5.767 -10.763  -5.652
   10    HA2  GLY   2           1HA      GLY   2  -4.012 -12.659  -4.538
   11    HA3  GLY   2           2HA      GLY   2  -3.670 -12.533  -6.277
   12    H    LEU   3           H        LEU   3  -2.739 -10.683  -7.124
   13    HA   LEU   3           HA       LEU   3  -1.246  -9.002  -5.488
   14    HB2  LEU   3           1HB      LEU   3  -0.671  -7.749  -7.424
   15    HB3  LEU   3           2HB      LEU   3  -0.751  -9.463  -7.864
   16    HG   LEU   3           HG       LEU   3  -3.258  -7.931  -8.275
   17   HD11  LEU   3          1HD1      LEU   3  -2.423  -6.853 -10.343
   18   HD12  LEU   3          2HD1      LEU   3  -0.774  -7.395  -9.950
   19   HD13  LEU   3          3HD1      LEU   3  -1.602  -6.227  -8.893
   20   HD21  LEU   3          3HD2      LEU   3  -3.281  -9.204 -10.378
   21   HD22  LEU   3          1HD2      LEU   3  -2.979 -10.280  -8.992
   22   HD23  LEU   3          2HD2      LEU   3  -1.634  -9.793 -10.052
   23    H    ALA   4           H        ALA   4  -4.490  -8.412  -6.862
   24    HA   ALA   4           HA       ALA   4  -4.916  -5.803  -6.142
   25    HB1  ALA   4           1HB      ALA   4  -6.463  -7.227  -7.440
   26    HB2  ALA   4           2HB      ALA   4  -7.288  -6.379  -6.111
   27    HB3  ALA   4           3HB      ALA   4  -6.887  -8.106  -5.952
   28    H    SER   5           H        SER   5  -4.502  -8.515  -3.973
   29    HA   SER   5           HA       SER   5  -5.612  -7.092  -1.647
   30    HB2  SER   5           1HB      SER   5  -6.146  -9.491  -1.931
   31    HB3  SER   5           2HB      SER   5  -4.407  -9.874  -1.924
   32    HG   SER   5           HG       SER   5  -5.336 -10.134   0.207
   33    H    THR   6           H        THR   6  -2.481  -8.509  -2.840
   34    HA   THR   6           HA       THR   6  -0.812  -7.602  -0.868
   35    HB   THR   6           HB       THR   6   1.006  -7.753  -2.411
   36    HG1  THR   6           1HG      THR   6  -0.932  -7.091  -4.325
   37   HG21  THR   6          3HG2      THR   6   0.043  -9.882  -1.695
   38   HG22  THR   6          1HG2      THR   6   0.649 -10.000  -3.365
   39   HG23  THR   6          2HG2      THR   6  -1.098  -9.846  -3.062
   40    H    LEU   7           H        LEU   7  -2.347  -5.639  -3.361
   41    HA   LEU   7           HA       LEU   7  -0.767  -3.294  -2.687
   42    HB2  LEU   7           1HB      LEU   7  -1.975  -2.165  -4.411
   43    HB3  LEU   7           2HB      LEU   7  -1.306  -3.680  -5.015
   44    HG   LEU   7           HG       LEU   7  -3.692  -4.628  -4.661
   45   HD11  LEU   7          1HD1      LEU   7  -4.640  -2.714  -3.399
   46   HD12  LEU   7          2HD1      LEU   7  -4.365  -1.663  -4.810
   47   HD13  LEU   7          3HD1      LEU   7  -5.520  -3.014  -4.918
   48   HD21  LEU   7          3HD2      LEU   7  -3.162  -2.535  -6.801
   49   HD22  LEU   7          1HD2      LEU   7  -2.567  -4.212  -6.828
   50   HD23  LEU   7          2HD2      LEU   7  -4.315  -3.885  -6.907
   51    H    THR   8           H        THR   8  -3.380  -4.824  -1.215
   52    HA   THR   8           HA       THR   8  -4.743  -2.369  -0.383
   53    HB   THR   8           HB       THR   8  -5.329  -5.333  -0.136
   54    HG1  THR   8           1HG      THR   8  -7.066  -4.676  -1.583
   55   HG21  THR   8          3HG2      THR   8  -7.113  -3.056   0.814
   56   HG22  THR   8          1HG2      THR   8  -7.556  -4.777   0.730
   57   HG23  THR   8          2HG2      THR   8  -6.299  -4.237   1.867
   58    H    ARG   9           H        ARG   9  -2.244  -4.515   0.671
   59    HA   ARG   9           HA       ARG   9  -2.505  -3.599   3.445
   60    HB2  ARG   9           2HB      ARG   9  -2.265  -6.015   2.871
   61    HB3  ARG   9           1HB      ARG   9  -0.631  -5.662   2.263
   62    HG2  ARG   9           2HG      ARG   9   0.195  -5.145   4.389
   63    HG3  ARG   9           1HG      ARG   9  -1.418  -4.765   5.034
   64    HD2  ARG   9           2HD      ARG   9  -0.634  -7.568   4.176
   65    HD3  ARG   9           1HD      ARG   9  -0.354  -6.960   5.825
   66    HE   ARG   9           HE       ARG   9  -3.053  -6.474   5.001
   67   HH11  ARG   9          2HH2      ARG   9  -0.988  -9.083   6.067
   68   HH12  ARG   9          1HH2      ARG   9  -2.269  -9.997   6.795
   69   HH21  ARG   9          2HH1      ARG   9  -4.747  -7.690   5.992
   70   HH22  ARG   9          1HH1      ARG   9  -4.368  -9.205   6.737
   71    H    TRP  10           H        TRP  10   0.165  -3.741   0.912
   72    HA   TRP  10           HA       TRP  10   1.859  -2.002   2.285
   73    HB2  TRP  10           1HB      TRP  10   3.089  -2.842   0.674
   74    HB3  TRP  10           2HB      TRP  10   1.667  -3.299  -0.277
   75    HD1  TRP  10           HD       TRP  10   1.109  -1.885  -2.352
   76    HE1  TRP  10           1HE      TRP  10   2.129   0.140  -3.494
   77    HE3  TRP  10           3HE      TRP  10   4.512  -0.697   1.179
   78    HZ2  TRP  10           2HZ      TRP  10   4.177   2.009  -2.946
   79    HZ3  TRP  10           3HZ      TRP  10   5.772   1.438   0.996
   80    HH2  TRP  10           HH       TRP  10   5.657   2.752  -1.103
   81    H    ALA  11           H        ALA  11  -1.017  -1.282   0.381
   82    HA   ALA  11           HA       ALA  11  -0.609   1.550   0.192
   83    HB1  ALA  11           1HB      ALA  11  -3.043   1.576  -0.360
   84    HB2  ALA  11           2HB      ALA  11  -3.082  -0.178  -0.063
   85    HB3  ALA  11           3HB      ALA  11  -2.077   0.480  -1.376
   86    H    HIS  12           H        HIS  12  -1.071  -0.300   2.946
   87    HA   HIS  12           HA       HIS  12  -2.484   1.873   4.372
   88    HB2  HIS  12           2HB      HIS  12  -2.439  -1.062   4.488
   89    HB3  HIS  12           1HB      HIS  12  -2.196  -0.299   6.069
   90    HD1  HIS  12           1HD      HIS  12  -4.421  -0.294   7.191
   91    HD2  HIS  12           2HD      HIS  12  -4.696   0.642   3.182
   92    HE1  HIS  12           1HE      HIS  12  -6.883   0.266   6.758
   93    HE2  HIS  12           2HE      HIS  12  -7.012   0.833   4.274
   94    H    TYR  13           H        TYR  13   0.557   1.213   3.527
   95    HA   TYR  13           HA       TYR  13   1.772   1.883   6.145
   96    HB2  TYR  13           1HB      TYR  13   2.214  -0.199   4.354
   97    HB3  TYR  13           2HB      TYR  13   3.506   0.955   3.959
   98    HD1  TYR  13           2HD      TYR  13   1.799  -0.541   6.937
   99    HD2  TYR  13           1HD      TYR  13   5.480   0.870   5.227
  100    HE1  TYR  13           2HE      TYR  13   3.036  -1.507   8.835
  101    HE2  TYR  13           1HE      TYR  13   6.733  -0.097   7.129
  102    HH   TYR  13           HH       TYR  13   4.983  -1.599   9.886
  103    H    ASN  14           H        ASN  14   2.810   2.246   2.709
  104    HA   ASN  14           HA       ASN  14   3.964   4.764   2.949
  105    HB2  ASN  14           1HB      ASN  14   4.244   3.156   1.054
  106    HB3  ASN  14           2HB      ASN  14   2.636   3.632   0.473
  107   HD21  ASN  14          2HD2      ASN  14   3.007   4.847  -1.338
  108   HD22  ASN  14          1HD2      ASN  14   4.109   6.201  -1.361
  109    H    ALA  15           H        ALA  15   0.548   4.068   3.060
  110    HA   ALA  15           HA       ALA  15  -0.645   6.315   1.965
  111    HB1  ALA  15           1HB      ALA  15  -1.911   5.788   4.433
  112    HB2  ALA  15           2HB      ALA  15  -2.342   5.143   2.832
  113    HB3  ALA  15           3HB      ALA  15  -1.236   4.234   3.890
  114    H    LEU  16           H        LEU  16   1.385   6.074   4.840
  115    HA   LEU  16           HA       LEU  16   0.912   8.906   5.532
  116    HB2  LEU  16           1HB      LEU  16   1.280   6.561   7.073
  117    HB3  LEU  16           2HB      LEU  16   2.744   7.545   7.290
  118    HG   LEU  16           HG       LEU  16   0.978   9.502   7.536
  119   HD11  LEU  16          1HD1      LEU  16  -1.066   8.779   8.718
  120   HD12  LEU  16          2HD1      LEU  16  -0.635   7.080   8.408
  121   HD13  LEU  16          3HD1      LEU  16  -1.005   8.166   7.047
  122   HD21  LEU  16          3HD2      LEU  16   2.619   8.880   9.221
  123   HD22  LEU  16          1HD2      LEU  16   1.039   9.181   9.984
  124   HD23  LEU  16          2HD2      LEU  16   1.605   7.512   9.739
  125    H    ILE  17           H        ILE  17   3.433   6.652   4.360
  126    HA   ILE  17           HA       ILE  17   5.548   8.628   4.444
  127    HB   ILE  17           HB       ILE  17   5.576   5.937   3.043
  128   HG12  ILE  17          1HG1      ILE  17   6.426   6.361   5.917
  129   HG13  ILE  17          2HG1      ILE  17   4.774   5.861   5.519
  130   HG21  ILE  17          1HG2      ILE  17   7.485   7.489   2.660
  131   HG22  ILE  17          2HG2      ILE  17   7.981   6.036   3.563
  132   HG23  ILE  17          3HG2      ILE  17   7.748   7.580   4.419
  133   HD11  ILE  17          3HD1      ILE  17   5.666   3.828   4.408
  134   HD12  ILE  17          1HD1      ILE  17   6.170   3.921   6.112
  135   HD13  ILE  17          2HD1      ILE  17   7.320   4.337   4.820
  136    H    ARG  18           H        ARG  18   2.887   8.566   2.561
  137    HA   ARG  18           HA       ARG  18   4.016   8.996  -0.047
  138    HB2  ARG  18           2HB      ARG  18   1.461   8.435   1.143
  139    HB3  ARG  18           1HB      ARG  18   1.316   9.893   0.137
  140    HG2  ARG  18           2HG      ARG  18   2.152   8.747  -1.799
  141    HG3  ARG  18           1HG      ARG  18   2.643   7.344  -0.833
  142    HD2  ARG  18           1HD      ARG  18   0.681   6.598  -1.831
  143    HD3  ARG  18           2HD      ARG  18   0.115   7.144  -0.242
  144    HE   ARG  18           HE       ARG  18  -0.509   8.259  -2.841
  145   HH11  ARG  18          2HH2      ARG  18  -0.619   9.000   0.614
  146   HH12  ARG  18          1HH2      ARG  18  -1.844  10.204   0.414
  147   HH21  ARG  18          2HH1      ARG  18  -2.093   9.852  -3.027
  148   HH22  ARG  18          1HH1      ARG  18  -2.636  10.681  -1.609
  149    H    ALA  19           H        ALA  19   5.420  10.650   0.241
  150    HA   ALA  19           HA       ALA  19   4.288  13.295  -0.210
  151    HB1  ALA  19           1HB      ALA  19   5.603  14.358   1.607
  152    HB2  ALA  19           2HB      ALA  19   4.367  13.242   2.235
  153    HB3  ALA  19           3HB      ALA  19   6.076  12.744   2.191
  154    H    PHE  20           H        PHE  20   5.327  12.132  -2.186
  155    HA   PHE  20           HA       PHE  20   8.195  12.709  -2.386
  156    HB2  PHE  20           2HB      PHE  20   6.391  10.796  -3.510
  157    HB3  PHE  20           1HB      PHE  20   7.104  11.739  -4.833
  158    HD1  PHE  20           2HD      PHE  20   9.807  12.224  -4.348
  159    HD2  PHE  20           1HD      PHE  20   7.499   8.851  -3.016
  160    HE1  PHE  20           2HE      PHE  20  11.864  10.852  -4.255
  161    HE2  PHE  20           1HE      PHE  20   9.556   7.472  -2.949
  162    HZ   PHE  20           HZ       PHE  20  11.739   8.466  -3.586
  Start of MODEL   20
    1    H1   HIS   1           H        HIS   1  -7.588 -11.625  -4.145
    2    HA   HIS   1           HA       HIS   1  -8.227 -13.103  -6.470
    3    HB2  HIS   1           2HB      HIS   1  -7.388 -10.260  -7.040
    4    HB3  HIS   1           1HB      HIS   1  -7.175 -11.580  -8.194
    5    HD1  HIS   1           1HD      HIS   1  -8.927  -9.398  -9.236
    6    HD2  HIS   1           2HD      HIS   1 -10.376 -12.518  -6.948
    7    HE1  HIS   1           1HE      HIS   1 -11.414  -9.567  -9.763
    8    HE2  HIS   1           2HE      HIS   1 -12.271 -11.510  -8.339
    9    H    GLY   2           H        GLY   2  -5.599 -10.737  -5.675
   10    HA2  GLY   2           2HA      GLY   2  -3.763 -12.597  -4.646
   11    HA3  GLY   2           1HA      GLY   2  -3.426 -12.396  -6.379
   12    H    LEU   3           H        LEU   3  -2.704 -10.432  -7.193
   13    HA   LEU   3           HA       LEU   3  -1.207  -8.766  -5.528
   14    HB2  LEU   3           2HB      LEU   3  -0.753  -7.410  -7.433
   15    HB3  LEU   3           1HB      LEU   3  -0.766  -9.111  -7.926
   16    HG   LEU   3           HG       LEU   3  -3.323  -7.608  -8.230
   17   HD11  LEU   3          1HD1      LEU   3  -2.562  -6.618 -10.368
   18   HD12  LEU   3          2HD1      LEU   3  -0.908  -7.179 -10.031
   19   HD13  LEU   3          3HD1      LEU   3  -1.665  -5.958  -8.979
   20   HD21  LEU   3          3HD2      LEU   3  -3.457  -8.945 -10.293
   21   HD22  LEU   3          1HD2      LEU   3  -3.113  -9.985  -8.889
   22   HD23  LEU   3          2HD2      LEU   3  -1.806  -9.553 -10.017
   23    H    ALA   4           H        ALA   4  -4.514  -8.248  -6.809
   24    HA   ALA   4           HA       ALA   4  -5.004  -5.681  -5.993
   25    HB1  ALA   4           1HB      ALA   4  -6.539  -7.115  -7.297
   26    HB2  ALA   4           2HB      ALA   4  -7.357  -6.339  -5.920
   27    HB3  ALA   4           3HB      ALA   4  -6.895  -8.055  -5.828
   28    H    SER   5           H        SER   5  -4.459  -8.450  -3.952
   29    HA   SER   5           HA       SER   5  -5.608  -7.222  -1.538
   30    HB2  SER   5           2HB      SER   5  -5.841  -9.721  -2.301
   31    HB3  SER   5           1HB      SER   5  -4.178  -9.877  -1.683
   32    HG   SER   5           HG       SER   5  -5.780 -10.309  -0.019
   33    H    THR   6           H        THR   6  -2.427  -8.462  -2.829
   34    HA   THR   6           HA       THR   6  -0.770  -7.595  -0.824
   35    HB   THR   6           HB       THR   6   1.028  -7.573  -2.402
   36    HG1  THR   6           1HG      THR   6  -0.974  -6.925  -4.251
   37   HG21  THR   6          3HG2      THR   6   0.188  -9.777  -1.768
   38   HG22  THR   6          1HG2      THR   6   0.767  -9.790  -3.451
   39   HG23  THR   6          2HG2      THR   6  -0.979  -9.739  -3.111
   40    H    LEU   7           H        LEU   7  -2.420  -5.589  -3.191
   41    HA   LEU   7           HA       LEU   7  -0.994  -3.169  -2.367
   42    HB2  LEU   7           1HB      LEU   7  -2.924  -3.898  -4.554
   43    HB3  LEU   7           2HB      LEU   7  -2.713  -2.201  -4.083
   44    HG   LEU   7           HG       LEU   7  -0.109  -3.260  -4.323
   45   HD11  LEU   7          1HD1      LEU   7  -1.058  -5.166  -5.578
   46   HD12  LEU   7          2HD1      LEU   7  -1.830  -4.031  -6.711
   47   HD13  LEU   7          3HD1      LEU   7  -0.055  -4.129  -6.621
   48   HD21  LEU   7          3HD2      LEU   7  -1.743  -1.524  -6.213
   49   HD22  LEU   7          1HD2      LEU   7   0.032  -1.658  -6.204
   50   HD23  LEU   7          2HD2      LEU   7  -0.814  -0.961  -4.802
   51    H    THR   8           H        THR   8  -3.420  -4.926  -0.953
   52    HA   THR   8           HA       THR   8  -4.932  -2.587  -0.037
   53    HB   THR   8           HB       THR   8  -5.341  -5.586   0.123
   54    HG1  THR   8           1HG      THR   8  -7.144  -4.988  -1.270
   55   HG21  THR   8          3HG2      THR   8  -7.235  -3.445   1.169
   56   HG22  THR   8          1HG2      THR   8  -7.580  -5.187   1.038
   57   HG23  THR   8          2HG2      THR   8  -6.337  -4.609   2.172
   58    H    ARG   9           H        ARG   9  -2.261  -4.545   0.865
   59    HA   ARG   9           HA       ARG   9  -2.471  -3.758   3.695
   60    HB2  ARG   9           1HB      ARG   9  -0.745  -5.792   2.268
   61    HB3  ARG   9           2HB      ARG   9  -0.569  -5.371   3.985
   62    HG2  ARG   9           1HG      ARG   9  -3.145  -5.905   4.096
   63    HG3  ARG   9           2HG      ARG   9  -2.835  -6.797   2.588
   64    HD2  ARG   9           1HD      ARG   9  -2.587  -8.342   4.447
   65    HD3  ARG   9           2HD      ARG   9  -0.967  -8.012   3.784
   66    HE   ARG   9           HE       ARG   9  -1.811  -6.239   5.936
   67   HH11  ARG   9          2HH2      ARG   9   0.016  -9.133   5.172
   68   HH12  ARG   9          1HH2      ARG   9   0.875  -9.139   6.679
   69   HH21  ARG   9          2HH1      ARG   9  -0.663  -6.273   7.902
   70   HH22  ARG   9          1HH1      ARG   9   0.486  -7.531   8.195
   71    H    TRP  10           H        TRP  10   0.127  -3.858   1.108
   72    HA   TRP  10           HA       TRP  10   1.848  -2.108   2.428
   73    HB2  TRP  10           2HB      TRP  10   3.026  -3.009   0.793
   74    HB3  TRP  10           1HB      TRP  10   1.569  -3.424  -0.121
   75    HD1  TRP  10           HD       TRP  10   1.013  -2.023  -2.199
   76    HE1  TRP  10           1HE      TRP  10   2.045  -0.011  -3.361
   77    HE3  TRP  10           3HE      TRP  10   4.479  -0.880   1.280
   78    HZ2  TRP  10           2HZ      TRP  10   4.118   1.834  -2.847
   79    HZ3  TRP  10           3HZ      TRP  10   5.833   1.173   1.033
   80    HH2  TRP  10           HH       TRP  10   5.663   2.533  -1.035
   81    H    ALA  11           H        ALA  11  -1.066  -1.409   0.583
   82    HA   ALA  11           HA       ALA  11  -0.637   1.442   0.420
   83    HB1  ALA  11           1HB      ALA  11  -2.920   1.494  -0.411
   84    HB2  ALA  11           2HB      ALA  11  -3.172  -0.194   0.095
   85    HB3  ALA  11           3HB      ALA  11  -2.015   0.183  -1.205
   86    H    HIS  12           H        HIS  12  -1.044  -0.384   3.126
   87    HA   HIS  12           HA       HIS  12  -2.473   1.743   4.576
   88    HB2  HIS  12           1HB      HIS  12  -3.534  -0.271   4.939
   89    HB3  HIS  12           2HB      HIS  12  -2.039  -1.209   4.875
   90    HD1  HIS  12           1HD      HIS  12  -4.151   0.733   7.360
   91    HD2  HIS  12           2HD      HIS  12  -0.696  -1.516   7.127
   92    HE1  HIS  12           1HE      HIS  12  -3.301   0.479   9.755
   93    HE2  HIS  12           2HE      HIS  12  -1.202  -0.974   9.581
   94    H    TYR  13           H        TYR  13   0.656   0.733   3.762
   95    HA   TYR  13           HA       TYR  13   1.941   1.464   6.302
   96    HB2  TYR  13           2HB      TYR  13   2.358  -0.386   4.145
   97    HB3  TYR  13           1HB      TYR  13   3.738   0.733   4.189
   98    HD1  TYR  13           1HD      TYR  13   5.170   0.894   6.167
   99    HD2  TYR  13           2HD      TYR  13   1.866  -1.847   6.021
  100    HE1  TYR  13           1HE      TYR  13   6.220  -0.460   7.953
  101    HE2  TYR  13           2HE      TYR  13   2.912  -3.218   7.786
  102    HH   TYR  13           HH       TYR  13   4.484  -3.281   9.346
  103    H    ASN  14           H        ASN  14   2.877   1.980   2.879
  104    HA   ASN  14           HA       ASN  14   3.961   4.591   3.383
  105    HB2  ASN  14           1HB      ASN  14   3.794   2.725   1.117
  106    HB3  ASN  14           2HB      ASN  14   3.744   4.444   0.675
  107   HD21  ASN  14          2HD2      ASN  14   5.660   5.303   0.286
  108   HD22  ASN  14          1HD2      ASN  14   7.166   4.743   0.961
  109    H    ALA  15           H        ALA  15   0.704   3.526   2.724
  110    HA   ALA  15           HA       ALA  15  -0.521   5.548   1.415
  111    HB1  ALA  15           1HB      ALA  15  -1.904   5.179   3.917
  112    HB2  ALA  15           2HB      ALA  15  -1.215   3.624   3.392
  113    HB3  ALA  15           3HB      ALA  15  -2.304   4.526   2.310
  114    H    LEU  16           H        LEU  16   1.002   5.807   4.604
  115    HA   LEU  16           HA       LEU  16   0.225   8.640   4.797
  116    HB2  LEU  16           2HB      LEU  16   0.760   6.495   6.736
  117    HB3  LEU  16           1HB      LEU  16   1.502   8.052   7.138
  118    HG   LEU  16           HG       LEU  16  -0.663   7.825   8.194
  119   HD11  LEU  16          1HD1      LEU  16   0.128  10.058   7.502
  120   HD12  LEU  16          2HD1      LEU  16  -0.795   9.897   5.987
  121   HD13  LEU  16          3HD1      LEU  16  -1.648   9.939   7.549
  122   HD21  LEU  16          3HD2      LEU  16  -1.912   7.672   5.436
  123   HD22  LEU  16          1HD2      LEU  16  -1.752   6.313   6.574
  124   HD23  LEU  16          2HD2      LEU  16  -2.764   7.714   6.998
  125    H    ILE  17           H        ILE  17   3.065   6.527   4.467
  126    HA   ILE  17           HA       ILE  17   4.961   8.703   4.664
  127    HB   ILE  17           HB       ILE  17   5.466   5.904   3.602
  128   HG12  ILE  17          1HG1      ILE  17   5.702   6.712   6.514
  129   HG13  ILE  17          2HG1      ILE  17   4.227   5.968   5.881
  130   HG21  ILE  17          1HG2      ILE  17   7.277   7.600   3.387
  131   HG22  ILE  17          2HG2      ILE  17   7.195   7.896   5.140
  132   HG23  ILE  17          3HG2      ILE  17   7.717   6.308   4.529
  133   HD11  ILE  17          3HD1      ILE  17   7.005   4.717   5.869
  134   HD12  ILE  17          1HD1      ILE  17   5.668   4.294   6.965
  135   HD13  ILE  17          2HD1      ILE  17   5.529   3.962   5.223
  136    H    ARG  18           H        ARG  18   2.682   8.210   2.392
  137    HA   ARG  18           HA       ARG  18   4.059   8.351  -0.049
  138    HB2  ARG  18           2HB      ARG  18   1.921   8.886  -1.013
  139    HB3  ARG  18           1HB      ARG  18   1.739   7.610   0.197
  140    HG2  ARG  18           1HG      ARG  18  -0.082   8.859   0.738
  141    HG3  ARG  18           2HG      ARG  18   1.114   9.679   1.764
  142    HD2  ARG  18           2HD      ARG  18   1.464  11.350  -0.088
  143    HD3  ARG  18           1HD      ARG  18   0.138  10.571  -0.980
  144    HE   ARG  18           HE       ARG  18  -0.050  12.313   1.320
  145   HH11  ARG  18          2HH2      ARG  18  -1.785   9.777  -0.376
  146   HH12  ARG  18          1HH2      ARG  18  -3.340  10.261   0.224
  147   HH21  ARG  18          2HH1      ARG  18  -2.102  12.905   2.106
  148   HH22  ARG  18          1HH1      ARG  18  -3.501  12.009   1.619
  149    H    ALA  19           H        ALA  19   5.255   9.797  -0.813
  150    HA   ALA  19           HA       ALA  19   4.600  12.635  -0.575
  151    HB1  ALA  19           1HB      ALA  19   6.010  12.235   1.413
  152    HB2  ALA  19           2HB      ALA  19   7.287  11.568   0.368
  153    HB3  ALA  19           3HB      ALA  19   6.826  13.281   0.226
  154    H    PHE  20           H        PHE  20   7.430  10.604  -1.551
  155    HA   PHE  20           HA       PHE  20   8.607  10.479  -3.453
  156    HB2  PHE  20           1HB      PHE  20   7.020   8.992  -4.199
  157    HB3  PHE  20           2HB      PHE  20   5.745  10.213  -4.303
  158    HD1  PHE  20           1HD      PHE  20   8.984   9.213  -5.935
  159    HD2  PHE  20           2HD      PHE  20   5.301  11.360  -6.326
  160    HE1  PHE  20           1HE      PHE  20   9.460   9.607  -8.336
  161    HE2  PHE  20           2HE      PHE  20   5.793  11.806  -8.698
  162    HZ   PHE  20           HZ       PHE  20   7.884  10.940  -9.711