*HEADER    ANTIMICROBIAL PROTEIN                   27-AUG-13   2MCW              
*TITLE     SOLID-STATE NMR STRUCTURE OF PISCIDIN 3 IN ALIGNED 3:1                
*TITLE    2 PHOSPHATIDYLCHOLINE/PHOSPHOGLYCEROL LIPID BILAYERS                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PISCIDIN-3;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: MORONE CHRYSOPS X MORONE SAXATILIS;             
*SOURCE   4 ORGANISM_COMMON: WHITE BASS X STRIPED BASS;                          
*SOURCE   5 ORGANISM_TAXID: 45352;                                               
*SOURCE   6 OTHER_DETAILS: SYNTHETIC CONSTRUCT                                   
*KEYWDS    ANTIMICROBIAL PEPTIDE, CATIONIC, AMPHIPATHIC, HISTIDINE RICH,         
*KEYWDS   2 HELICAL, LIPID BILAYERS, BACTERIAL CELL MEMBRANE MIMIC,              
*KEYWDS   3 ANTIMICROBIAL PROTEIN                                                
*EXPDTA    SOLID-STATE NMR                                                       
*NUMMDL    10                                                                    
*AUTHOR    R.FU, Y.TIAN, B.S.PERRIN JR., C.V.GRANT, R.W.PASTOR, M.L.COTTEN       
*REVDAT   1   22-JAN-14 2MCW    0                                                


seq res N
1 PHE n/a
2 ILE 54.7
3 HIS 59.0
4 HIS 65.3
5 ILE 45.9
6 PHE 67.3
7 ARG 37.5
8 GLY 44.1
9 ILE 55.6
10 VAL 44.6 
11 HIS 57.2
12 ALA 55.6
13 GLY 55.4
14 ARG 49.2
15 SER 62.8
16 ILE 38.0
17 GLY 45.1
18 ARG 54.5
19 PHE 63.2
20 LEU 49.1
21 THR 43.8
22 GLY 44.6

seq res Dipolar_coupling
1 PHE n/a
2 ILE n/a
3 HIS 2.90
4 HIS 3.60
5 ILE 4.60
6 PHE 3.90
7 ARG 4.95
8 GLY 3.84 
9 ILE 4.75
10 VAL 4.47
11 HIS 4.86
12 ALA 3.80
13 GLY 4.34
14 ARG 4.58
15 SER 4.15
16 ILE 4.95
17 GLY 4.77
18 ARG 4.90
19 PHE 2.84
20 LEU 4.63
21 THR 3.50
22 GLY 3.50


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           HT1      PHE   1  15.828  -6.820  -1.470
    2    H2   PHE   1           HT2      PHE   1  14.897  -7.124  -2.858
    3    H3   PHE   1           HT3      PHE   1  14.263  -7.455  -1.317
    4    HA   PHE   1           HA       PHE   1  14.396  -5.063  -0.783
    5    HB2  PHE   1           HB2      PHE   1  15.229  -5.002  -3.692
    6    HB3  PHE   1           HB1      PHE   1  14.577  -3.586  -2.866
    7    HD1  PHE   1           HD2      PHE   1  15.806  -2.499  -1.053
    8    HD2  PHE   1           HD1      PHE   1  17.412  -5.926  -3.085
    9    HE1  PHE   1           HE2      PHE   1  18.032  -2.045  -0.059
   10    HE2  PHE   1           HE1      PHE   1  19.638  -5.472  -2.090
   11    HZ   PHE   1           HZ       PHE   1  19.948  -3.532  -0.578
   12    H    ILE   2           HN       ILE   2  13.276  -6.454  -3.885
   13    HA   ILE   2           HA       ILE   2  10.867  -5.159  -4.144
   14    HB   ILE   2           HB       ILE   2  10.113  -7.135  -5.417
   15   HG12  ILE   2          HG12      ILE   2  12.647  -8.398  -4.314
   16   HG13  ILE   2          HG11      ILE   2  10.999  -8.869  -3.895
   17   HG21  ILE   2          HG21      ILE   2  13.058  -6.643  -5.908
   18   HG22  ILE   2          HG22      ILE   2  11.816  -5.453  -6.298
   19   HG23  ILE   2          HG23      ILE   2  11.812  -7.025  -7.097
   20   HD11  ILE   2          HD11      ILE   2  11.779 -10.401  -5.587
   21   HD12  ILE   2          HD12      ILE   2  12.318  -9.072  -6.612
   22   HD13  ILE   2          HD13      ILE   2  10.595  -9.334  -6.342
   23    H    HIS   3           HN       HIS   3  11.687  -7.821  -2.016
   24    HA   HIS   3           HA       HIS   3   9.205  -8.779  -1.274
   25    HB2  HIS   3           HB2      HIS   3  11.442  -9.598  -0.454
   26    HB3  HIS   3           HB1      HIS   3  11.463  -8.232   0.661
   27    HD2  HIS   3           HD2      HIS   3  10.093  -8.706   3.025
   28    HE1  HIS   3           HE1      HIS   3   7.978 -12.143   1.784
   29    HE2  HIS   3           HE2      HIS   3   8.481 -10.625   3.757
   30    H    HIS   4           HN       HIS   4  10.901  -5.934   0.054
   31    HA   HIS   4           HA       HIS   4   8.789  -5.236   1.863
   32    HB2  HIS   4           HB2      HIS   4  11.162  -3.711   0.775
   33    HB3  HIS   4           HB1      HIS   4  10.018  -3.006   1.919
   34    HD2  HIS   4           HD2      HIS   4   9.878  -4.529   4.456
   35    HE1  HIS   4           HE1      HIS   4  13.717  -6.205   3.925
   36    HE2  HIS   4           HE2      HIS   4  11.842  -5.821   5.594
   37    H    ILE   5           HN       ILE   5   9.761  -4.162  -1.348
   38    HA   ILE   5           HA       ILE   5   7.861  -2.099  -1.676
   39    HB   ILE   5           HB       ILE   5   8.964  -3.835  -3.890
   40   HG12  ILE   5          HG12      ILE   5  10.849  -3.145  -2.532
   41   HG13  ILE   5          HG11      ILE   5  10.812  -2.126  -3.969
   42   HG21  ILE   5          HG21      ILE   5   7.277  -2.327  -4.677
   43   HG22  ILE   5          HG22      ILE   5   8.830  -1.612  -5.108
   44   HG23  ILE   5          HG23      ILE   5   7.930  -0.996  -3.723
   45   HD11  ILE   5          HD11      ILE   5  11.155  -0.586  -2.223
   46   HD12  ILE   5          HD12      ILE   5  10.039  -1.420  -1.142
   47   HD13  ILE   5          HD13      ILE   5   9.417  -0.486  -2.502
   48    H    PHE   6           HN       PHE   6   7.685  -5.563  -2.159
   49    HA   PHE   6           HA       PHE   6   5.270  -5.672  -3.632
   50    HB2  PHE   6           HB2      PHE   6   6.846  -7.587  -3.353
   51    HB3  PHE   6           HB1      PHE   6   6.335  -7.717  -1.669
   52    HD1  PHE   6           HD1      PHE   6   5.234  -8.010  -5.194
   53    HD2  PHE   6           HD2      PHE   6   4.182  -8.629  -1.076
   54    HE1  PHE   6           HE1      PHE   6   3.263  -9.342  -5.897
   55    HE2  PHE   6           HE2      PHE   6   2.212  -9.961  -1.779
   56    HZ   PHE   6           HZ       PHE   6   1.752 -10.318  -4.190
   57    H    ARG   7           HN       ARG   7   5.984  -5.706  -0.177
   58    HA   ARG   7           HA       ARG   7   3.380  -6.152   0.782
   59    HB2  ARG   7           HB2      ARG   7   5.729  -4.690   1.997
   60    HB3  ARG   7           HB1      ARG   7   4.225  -4.995   2.866
   61    HG2  ARG   7           HG2      ARG   7   4.494  -7.417   2.501
   62    HG3  ARG   7           HG1      ARG   7   5.995  -7.123   1.622
   63    HD2  ARG   7           HD2      ARG   7   6.966  -6.077   3.642
   64    HD3  ARG   7           HD1      ARG   7   5.472  -6.395   4.518
   65    HE   ARG   7           HE       ARG   7   6.561  -8.788   3.374
   66   HH11  ARG   7          HH21      ARG   7   6.826  -6.513   5.968
   67   HH12  ARG   7          HH22      ARG   7   7.521  -7.648   7.076
   68   HH21  ARG   7          HH11      ARG   7   7.472 -10.282   4.820
   69   HH22  ARG   7          HH12      ARG   7   7.887  -9.782   6.427
   70    H    GLY   8           HN       GLY   8   5.003  -3.209  -0.274
   71    HA2  GLY   8           HA2      GLY   8   3.037  -1.384   0.708
   72    HA3  GLY   8           HA1      GLY   8   4.265  -1.038  -0.505
   73    H    ILE   9           HN       ILE   9   3.553  -3.035  -2.377
   74    HA   ILE   9           HA       ILE   9   1.565  -1.675  -3.867
   75    HB   ILE   9           HB       ILE   9   2.661  -4.482  -4.180
   76   HG12  ILE   9          HG12      ILE   9   3.281  -1.931  -5.701
   77   HG13  ILE   9          HG11      ILE   9   4.257  -2.528  -4.360
   78   HG21  ILE   9          HG21      ILE   9   0.918  -2.784  -5.989
   79   HG22  ILE   9          HG22      ILE   9   0.544  -4.381  -5.339
   80   HG23  ILE   9          HG23      ILE   9   1.810  -4.196  -6.550
   81   HD11  ILE   9          HD11      ILE   9   3.720  -3.945  -6.984
   82   HD12  ILE   9          HD12      ILE   9   4.544  -4.687  -5.613
   83   HD13  ILE   9          HD13      ILE   9   5.263  -3.299  -6.427
   84    H    VAL  10           HN       VAL  10   1.424  -4.810  -2.174
   85    HA   VAL  10           HA       VAL  10  -1.342  -5.236  -2.643
   86    HB   VAL  10           HB       VAL  10   0.141  -7.080  -2.060
   87   HG11  VAL  10          HG11      VAL  10   1.243  -7.257   0.039
   88   HG12  VAL  10          HG12      VAL  10   0.297  -5.941   0.734
   89   HG13  VAL  10          HG13      VAL  10   1.524  -5.598  -0.484
   90   HG21  VAL  10          HG21      VAL  10  -1.769  -6.704   0.255
   91   HG22  VAL  10          HG22      VAL  10  -1.317  -8.206  -0.552
   92   HG23  VAL  10          HG23      VAL  10  -2.342  -7.033  -1.381
   93    H    HIS  11           HN       HIS  11   0.442  -3.829   0.075
   94    HA   HIS  11           HA       HIS  11  -1.804  -3.461   1.772
   95    HB2  HIS  11           HB2      HIS  11   0.531  -3.415   2.584
   96    HB3  HIS  11           HB1      HIS  11   0.797  -1.912   1.698
   97    HD2  HIS  11           HD2      HIS  11  -1.924  -3.022   4.413
   98    HE1  HIS  11           HE1      HIS  11  -0.749   0.967   5.141
   99    HE2  HIS  11           HE2      HIS  11  -2.230  -0.931   5.947
  100    H    ALA  12           HN       ALA  12  -0.159  -1.313  -0.538
  101    HA   ALA  12           HA       ALA  12  -1.731   0.983  -0.053
  102    HB1  ALA  12           HB1      ALA  12  -0.951   1.663  -2.350
  103    HB2  ALA  12           HB2      ALA  12  -0.192   0.078  -2.492
  104    HB3  ALA  12           HB3      ALA  12   0.346   1.205  -1.247
  105    H    GLY  13           HN       GLY  13  -2.327  -1.929  -1.817
  106    HA2  GLY  13           HA2      GLY  13  -4.396  -0.935  -3.537
  107    HA3  GLY  13           HA1      GLY  13  -4.091  -2.627  -3.152
  108    H    ARG  14           HN       ARG  14  -4.373  -2.677  -0.454
  109    HA   ARG  14           HA       ARG  14  -7.159  -2.858  -0.098
  110    HB2  ARG  14           HB2      ARG  14  -4.893  -2.782   1.901
  111    HB3  ARG  14           HB1      ARG  14  -6.573  -3.068   2.355
  112    HG2  ARG  14           HG2      ARG  14  -6.672  -5.038   0.922
  113    HG3  ARG  14           HG1      ARG  14  -5.038  -4.726   0.333
  114    HD2  ARG  14           HD2      ARG  14  -4.972  -6.441   2.077
  115    HD3  ARG  14           HD1      ARG  14  -4.178  -4.976   2.649
  116    HE   ARG  14           HE       ARG  14  -6.986  -5.142   3.342
  117   HH11  ARG  14          HH21      ARG  14  -3.726  -5.939   4.185
  118   HH12  ARG  14          HH22      ARG  14  -4.054  -6.083   5.880
  119   HH21  ARG  14          HH11      ARG  14  -7.423  -5.328   5.564
  120   HH22  ARG  14          HH12      ARG  14  -6.147  -5.736   6.661
  121    H    SER  15           HN       SER  15  -4.863  -0.303   0.706
  122    HA   SER  15           HA       SER  15  -6.581   1.286   2.292
  123    HB2  SER  15           HB2      SER  15  -4.276   1.821   2.364
  124    HB3  SER  15           HB1      SER  15  -4.161   1.920   0.608
  125    HG   SER  15           HG       SER  15  -5.033   3.866   0.652
  126    H    ILE  16           HN       ILE  16  -5.929   1.243  -1.182
  127    HA   ILE  16           HA       ILE  16  -7.540   3.463  -1.885
  128    HB   ILE  16           HB       ILE  16  -6.720   1.028  -3.485
  129   HG12  ILE  16          HG12      ILE  16  -5.724   3.892  -3.600
  130   HG13  ILE  16          HG11      ILE  16  -4.944   2.641  -2.634
  131   HG21  ILE  16          HG21      ILE  16  -8.657   1.892  -4.582
  132   HG22  ILE  16          HG22      ILE  16  -7.286   2.586  -5.445
  133   HG23  ILE  16          HG23      ILE  16  -8.175   3.561  -4.275
  134   HD11  ILE  16          HD11      ILE  16  -4.830   1.262  -4.801
  135   HD12  ILE  16          HD12      ILE  16  -3.758   2.657  -4.697
  136   HD13  ILE  16          HD13      ILE  16  -5.246   2.758  -5.639
  137    H    GLY  17           HN       GLY  17  -8.246  -0.008  -1.682
  138    HA2  GLY  17           HA2      GLY  17 -10.928   0.154  -2.612
  139    HA3  GLY  17           HA1      GLY  17 -10.233  -1.173  -1.687
  140    H    ARG  18           HN       ARG  18  -9.416   0.478   0.543
  141    HA   ARG  18           HA       ARG  18 -11.707   0.295   2.161
  142    HB2  ARG  18           HB2      ARG  18  -9.381   0.266   3.023
  143    HB3  ARG  18           HB1      ARG  18  -9.236   1.980   2.632
  144    HG2  ARG  18           HG2      ARG  18 -11.080   2.513   4.157
  145    HG3  ARG  18           HG1      ARG  18 -11.301   0.799   4.514
  146    HD2  ARG  18           HD2      ARG  18  -8.945   0.731   5.364
  147    HD3  ARG  18           HD1      ARG  18  -8.852   2.474   5.128
  148    HE   ARG  18           HE       ARG  18 -10.228   2.767   6.998
  149   HH11  ARG  18          HH21      ARG  18 -10.080  -0.544   6.002
  150   HH12  ARG  18          HH22      ARG  18 -10.857  -1.151   7.426
  151   HH21  ARG  18          HH11      ARG  18 -11.247   1.978   8.869
  152   HH22  ARG  18          HH12      ARG  18 -11.518   0.277   9.049
  153    H    PHE  19           HN       PHE  19 -10.245   3.072   0.495
  154    HA   PHE  19           HA       PHE  19 -11.964   5.046   1.585
  155    HB2  PHE  19           HB2      PHE  19 -10.274   4.929  -0.914
  156    HB3  PHE  19           HB1      PHE  19 -11.266   6.334  -0.525
  157    HD1  PHE  19           HD2      PHE  19 -11.043   7.182   1.986
  158    HD2  PHE  19           HD1      PHE  19  -8.071   4.890  -0.101
  159    HE1  PHE  19           HE2      PHE  19  -9.309   8.002   3.557
  160    HE2  PHE  19           HE1      PHE  19  -6.337   5.707   1.472
  161    HZ   PHE  19           HZ       PHE  19  -6.955   7.264   3.300
  162    H    LEU  20           HN       LEU  20 -12.230   2.880  -1.181
  163    HA   LEU  20           HA       LEU  20 -14.293   4.044  -2.601
  164    HB2  LEU  20           HB2      LEU  20 -13.084   1.949  -3.252
  165    HB3  LEU  20           HB1      LEU  20 -14.023   1.082  -2.038
  166    HG   LEU  20           HG       LEU  20 -16.120   1.815  -3.184
  167   HD11  LEU  20          HD11      LEU  20 -14.112   3.170  -4.961
  168   HD12  LEU  20          HD12      LEU  20 -15.691   3.737  -4.415
  169   HD13  LEU  20          HD13      LEU  20 -15.584   2.534  -5.694
  170   HD21  LEU  20          HD21      LEU  20 -15.747   0.352  -5.237
  171   HD22  LEU  20          HD22      LEU  20 -15.314  -0.383  -3.693
  172   HD23  LEU  20          HD23      LEU  20 -14.054   0.250  -4.751
  173    H    THR  21           HN       THR  21 -14.419   2.259   0.426
  174    HA   THR  21           HA       THR  21 -17.125   1.710   0.641
  175    HB   THR  21           HB       THR  21 -15.443   2.763   2.921
  176    HG1  THR  21           HG1      THR  21 -14.229   1.099   2.617
  177   HG21  THR  21          HG21      THR  21 -17.682   0.726   2.770
  178   HG22  THR  21          HG22      THR  21 -17.836   2.372   3.383
  179   HG23  THR  21          HG23      THR  21 -16.824   1.204   4.234
  180    H    GLY  22           HN       GLY  22 -18.927   2.887   0.883
  181    HA2  GLY  22           HA2      GLY  22 -20.314   4.724   0.946
  182    HA3  GLY  22           HA1      GLY  22 -19.221   5.327   2.187
  183    HN1  NH2  23           HT1      GLY  22 -17.349   6.372  -1.208
  184    HN2  NH2  23           HT2      GLY  22 -17.305   4.798  -0.487
  Start of MODEL    2
    1    H1   PHE   1           HT1      PHE   1  14.491  -8.677  -1.347
    2    H2   PHE   1           HT2      PHE   1  15.845  -8.019  -2.135
    3    H3   PHE   1           HT3      PHE   1  14.363  -8.155  -2.955
    4    HA   PHE   1           HA       PHE   1  14.465  -6.578  -0.485
    5    HB2  PHE   1           HB2      PHE   1  16.416  -5.883  -1.918
    6    HB3  PHE   1           HB1      PHE   1  15.268  -5.510  -3.205
    7    HD1  PHE   1           HD2      PHE   1  16.089  -4.731   0.358
    8    HD2  PHE   1           HD1      PHE   1  14.131  -3.442  -3.242
    9    HE1  PHE   1           HE2      PHE   1  15.652  -2.518   1.388
   10    HE2  PHE   1           HE1      PHE   1  13.695  -1.228  -2.212
   11    HZ   PHE   1           HZ       PHE   1  14.454  -0.766   0.102
   12    H    ILE   2           HN       ILE   2  13.286  -7.312  -3.739
   13    HA   ILE   2           HA       ILE   2  11.201  -5.514  -3.981
   14    HB   ILE   2           HB       ILE   2  11.172  -8.423  -4.822
   15   HG12  ILE   2          HG12      ILE   2  12.106  -6.002  -6.391
   16   HG13  ILE   2          HG11      ILE   2  13.206  -7.079  -5.532
   17   HG21  ILE   2          HG21      ILE   2   8.988  -7.398  -5.040
   18   HG22  ILE   2          HG22      ILE   2   9.709  -7.489  -6.647
   19   HG23  ILE   2          HG23      ILE   2   9.689  -5.957  -5.775
   20   HD11  ILE   2          HD11      ILE   2  11.334  -7.813  -7.798
   21   HD12  ILE   2          HD12      ILE   2  12.223  -8.999  -6.840
   22   HD13  ILE   2          HD13      ILE   2  13.097  -7.828  -7.827
   23    H    HIS   3           HN       HIS   3  11.425  -8.431  -2.052
   24    HA   HIS   3           HA       HIS   3   8.801  -8.998  -1.451
   25    HB2  HIS   3           HB2      HIS   3  11.185  -8.970   0.413
   26    HB3  HIS   3           HB1      HIS   3   9.635  -9.718   0.795
   27    HD2  HIS   3           HD2      HIS   3  12.872 -10.587  -1.091
   28    HE1  HIS   3           HE1      HIS   3  10.027 -13.508  -2.190
   29    HE2  HIS   3           HE2      HIS   3  12.486 -12.879  -2.283
   30    H    HIS   4           HN       HIS   4  10.842  -6.473  -0.002
   31    HA   HIS   4           HA       HIS   4   8.867  -5.532   1.832
   32    HB2  HIS   4           HB2      HIS   4  11.285  -5.070   2.091
   33    HB3  HIS   4           HB1      HIS   4  11.231  -4.054   0.650
   34    HD2  HIS   4           HD2      HIS   4  10.210  -3.883   4.417
   35    HE1  HIS   4           HE1      HIS   4   9.145  -0.207   2.632
   36    HE2  HIS   4           HE2      HIS   4   9.356  -1.451   4.836
   37    H    ILE   5           HN       ILE   5   9.938  -4.394  -1.357
   38    HA   ILE   5           HA       ILE   5   8.181  -2.212  -1.591
   39    HB   ILE   5           HB       ILE   5   9.323  -3.988  -3.758
   40   HG12  ILE   5          HG12      ILE   5  10.242  -1.272  -2.756
   41   HG13  ILE   5          HG11      ILE   5  10.952  -2.798  -2.228
   42   HG21  ILE   5          HG21      ILE   5   8.931  -1.895  -5.158
   43   HG22  ILE   5          HG22      ILE   5   7.925  -1.301  -3.837
   44   HG23  ILE   5          HG23      ILE   5   7.476  -2.775  -4.696
   45   HD11  ILE   5          HD11      ILE   5  11.016  -1.544  -4.971
   46   HD12  ILE   5          HD12      ILE   5  11.265  -3.278  -4.770
   47   HD13  ILE   5          HD13      ILE   5  12.362  -2.137  -4.001
   48    H    PHE   6           HN       PHE   6   7.719  -5.641  -2.137
   49    HA   PHE   6           HA       PHE   6   5.305  -5.509  -3.610
   50    HB2  PHE   6           HB2      PHE   6   6.707  -7.551  -3.393
   51    HB3  PHE   6           HB1      PHE   6   6.206  -7.682  -1.707
   52    HD1  PHE   6           HD2      PHE   6   4.976  -7.689  -5.218
   53    HD2  PHE   6           HD1      PHE   6   4.060  -8.548  -1.110
   54    HE1  PHE   6           HE2      PHE   6   2.901  -8.849  -5.924
   55    HE2  PHE   6           HE1      PHE   6   1.986  -9.709  -1.815
   56    HZ   PHE   6           HZ       PHE   6   1.406  -9.859  -4.221
   57    H    ARG   7           HN       ARG   7   5.947  -5.797  -0.138
   58    HA   ARG   7           HA       ARG   7   3.316  -6.021   0.771
   59    HB2  ARG   7           HB2      ARG   7   5.481  -6.211   2.125
   60    HB3  ARG   7           HB1      ARG   7   5.446  -4.451   2.228
   61    HG2  ARG   7           HG2      ARG   7   4.249  -4.980   4.161
   62    HG3  ARG   7           HG1      ARG   7   2.923  -4.886   3.004
   63    HD2  ARG   7           HD2      ARG   7   3.014  -7.321   2.673
   64    HD3  ARG   7           HD1      ARG   7   4.372  -7.433   3.788
   65    HE   ARG   7           HE       ARG   7   2.507  -6.269   5.337
   66   HH11  ARG   7          HH21      ARG   7   2.394  -8.951   3.154
   67   HH12  ARG   7          HH22      ARG   7   1.156  -9.788   4.029
   68   HH21  ARG   7          HH11      ARG   7   0.884  -7.360   6.490
   69   HH22  ARG   7          HH12      ARG   7   0.302  -8.888   5.917
   70    H    GLY   8           HN       GLY   8   5.151  -3.199  -0.233
   71    HA2  GLY   8           HA2      GLY   8   3.316  -1.248   0.752
   72    HA3  GLY   8           HA1      GLY   8   4.572  -0.979  -0.452
   73    H    ILE   9           HN       ILE   9   3.665  -2.980  -2.308
   74    HA   ILE   9           HA       ILE   9   1.805  -1.444  -3.811
   75    HB   ILE   9           HB       ILE   9   2.734  -4.305  -4.131
   76   HG12  ILE   9          HG12      ILE   9   3.476  -1.771  -5.631
   77   HG13  ILE   9          HG11      ILE   9   4.450  -2.480  -4.343
   78   HG21  ILE   9          HG21      ILE   9   1.885  -3.909  -6.527
   79   HG22  ILE   9          HG22      ILE   9   0.993  -2.540  -5.870
   80   HG23  ILE   9          HG23      ILE   9   0.653  -4.173  -5.297
   81   HD11  ILE   9          HD11      ILE   9   4.599  -4.594  -5.656
   82   HD12  ILE   9          HD12      ILE   9   5.313  -3.224  -6.506
   83   HD13  ILE   9          HD13      ILE   9   3.714  -3.810  -6.963
   84    H    VAL  10           HN       VAL  10   1.440  -4.583  -2.155
   85    HA   VAL  10           HA       VAL  10  -1.339  -4.845  -2.653
   86    HB   VAL  10           HB       VAL  10  -1.279  -6.570  -0.880
   87   HG11  VAL  10          HG11      VAL  10   1.243  -6.752  -2.539
   88   HG12  VAL  10          HG12      VAL  10  -0.360  -6.912  -3.257
   89   HG13  VAL  10          HG13      VAL  10   0.177  -8.062  -2.033
   90   HG21  VAL  10          HG21      VAL  10   1.119  -6.971   0.066
   91   HG22  VAL  10          HG22      VAL  10   0.137  -5.698   0.789
   92   HG23  VAL  10          HG23      VAL  10   1.399  -5.289  -0.372
   93    H    HIS  11           HN       HIS  11   0.484  -3.515   0.075
   94    HA   HIS  11           HA       HIS  11  -1.755  -3.011   1.748
   95    HB2  HIS  11           HB2      HIS  11   0.639  -3.061   2.499
   96    HB3  HIS  11           HB1      HIS  11   0.866  -1.503   1.703
   97    HD2  HIS  11           HD2      HIS  11   0.296   0.613   3.378
   98    HE1  HIS  11           HE1      HIS  11  -2.212  -1.423   6.096
   99    HE2  HIS  11           HE2      HIS  11  -1.105   0.802   5.574
  100    H    ALA  12           HN       ALA  12  -0.019  -1.015  -0.621
  101    HA   ALA  12           HA       ALA  12  -1.449   1.378  -0.179
  102    HB1  ALA  12           HB1      ALA  12   0.553   1.582  -1.413
  103    HB2  ALA  12           HB2      ALA  12  -0.719   1.859  -2.603
  104    HB3  ALA  12           HB3      ALA  12   0.095   0.296  -2.531
  105    H    GLY  13           HN       GLY  13  -2.258  -1.546  -1.829
  106    HA2  GLY  13           HA2      GLY  13  -4.363  -0.404  -3.456
  107    HA3  GLY  13           HA1      GLY  13  -4.023  -2.118  -3.240
  108    H    ARG  14           HN       ARG  14  -4.160  -2.282  -0.457
  109    HA   ARG  14           HA       ARG  14  -6.861  -2.731   0.011
  110    HB2  ARG  14           HB2      ARG  14  -4.629  -2.165   1.977
  111    HB3  ARG  14           HB1      ARG  14  -6.228  -2.738   2.447
  112    HG2  ARG  14           HG2      ARG  14  -4.714  -4.250   0.328
  113    HG3  ARG  14           HG1      ARG  14  -4.270  -4.483   2.018
  114    HD2  ARG  14           HD2      ARG  14  -6.582  -5.100   2.565
  115    HD3  ARG  14           HD1      ARG  14  -7.072  -4.814   0.901
  116    HE   ARG  14           HE       ARG  14  -6.143  -6.864   0.317
  117   HH11  ARG  14          HH21      ARG  14  -5.112  -5.855   3.462
  118   HH12  ARG  14          HH22      ARG  14  -4.355  -7.364   3.849
  119   HH21  ARG  14          HH11      ARG  14  -5.152  -8.846   0.818
  120   HH22  ARG  14          HH12      ARG  14  -4.377  -9.057   2.353
  121    H    SER  15           HN       SER  15  -4.940   0.169   0.558
  122    HA   SER  15           HA       SER  15  -6.818   1.613   2.093
  123    HB2  SER  15           HB2      SER  15  -4.585   2.436   2.014
  124    HB3  SER  15           HB1      SER  15  -4.589   2.486   0.253
  125    HG   SER  15           HG       SER  15  -6.063   4.159   0.335
  126    H    ILE  16           HN       ILE  16  -6.327   1.323  -1.393
  127    HA   ILE  16           HA       ILE  16  -8.213   3.279  -2.189
  128    HB   ILE  16           HB       ILE  16  -7.430   0.777  -3.704
  129   HG12  ILE  16          HG12      ILE  16  -5.400   1.959  -2.982
  130   HG13  ILE  16          HG11      ILE  16  -5.650   2.254  -4.703
  131   HG21  ILE  16          HG21      ILE  16  -8.517   3.483  -4.516
  132   HG22  ILE  16          HG22      ILE  16  -9.286   1.913  -4.745
  133   HG23  ILE  16          HG23      ILE  16  -7.839   2.328  -5.663
  134   HD11  ILE  16          HD11      ILE  16  -6.959   4.383  -3.873
  135   HD12  ILE  16          HD12      ILE  16  -5.203   4.422  -3.914
  136   HD13  ILE  16          HD13      ILE  16  -6.039   4.138  -2.389
  137    H    GLY  17           HN       GLY  17  -8.512  -0.214  -1.641
  138    HA2  GLY  17           HA2      GLY  17 -11.236  -0.412  -2.434
  139    HA3  GLY  17           HA1      GLY  17 -10.360  -1.577  -1.446
  140    H    ARG  18           HN       ARG  18  -9.659   0.033   0.718
  141    HA   ARG  18           HA       ARG  18 -12.024  -0.045   2.279
  142    HB2  ARG  18           HB2      ARG  18  -9.308   1.185   2.765
  143    HB3  ARG  18           HB1      ARG  18 -10.595   1.193   3.972
  144    HG2  ARG  18           HG2      ARG  18 -10.702  -1.252   3.920
  145    HG3  ARG  18           HG1      ARG  18  -9.476  -1.298   2.653
  146    HD2  ARG  18           HD2      ARG  18  -8.429  -1.736   4.816
  147    HD3  ARG  18           HD1      ARG  18  -7.874  -0.186   4.191
  148    HE   ARG  18           HE       ARG  18 -10.146   0.208   5.844
  149   HH11  ARG  18          HH21      ARG  18  -6.800  -0.663   5.935
  150   HH12  ARG  18          HH22      ARG  18  -6.538  -0.043   7.531
  151   HH21  ARG  18          HH11      ARG  18  -9.812   1.026   7.936
  152   HH22  ARG  18          HH12      ARG  18  -8.244   0.913   8.664
  153    H    PHE  19           HN       PHE  19 -10.304   2.569   0.641
  154    HA   PHE  19           HA       PHE  19 -11.854   4.692   1.745
  155    HB2  PHE  19           HB2      PHE  19  -9.910   4.393  -0.515
  156    HB3  PHE  19           HB1      PHE  19 -10.959   5.811  -0.517
  157    HD1  PHE  19           HD1      PHE  19  -9.333   3.895   2.274
  158    HD2  PHE  19           HD2      PHE  19  -9.721   7.656   0.231
  159    HE1  PHE  19           HE1      PHE  19  -7.891   4.971   3.979
  160    HE2  PHE  19           HE2      PHE  19  -8.277   8.729   1.938
  161    HZ   PHE  19           HZ       PHE  19  -7.363   7.388   3.812
  162    H    LEU  20           HN       LEU  20 -12.180   2.630  -1.091
  163    HA   LEU  20           HA       LEU  20 -14.080   3.996  -2.549
  164    HB2  LEU  20           HB2      LEU  20 -13.072   1.911  -3.351
  165    HB3  LEU  20           HB1      LEU  20 -13.910   1.004  -2.092
  166    HG   LEU  20           HG       LEU  20 -16.092   1.671  -3.061
  167   HD11  LEU  20          HD11      LEU  20 -15.785   3.760  -4.081
  168   HD12  LEU  20          HD12      LEU  20 -15.861   2.700  -5.480
  169   HD13  LEU  20          HD13      LEU  20 -14.299   3.259  -4.888
  170   HD21  LEU  20          HD21      LEU  20 -15.253  -0.409  -3.887
  171   HD22  LEU  20          HD22      LEU  20 -14.082   0.398  -4.929
  172   HD23  LEU  20          HD23      LEU  20 -15.802   0.483  -5.306
  173    H    THR  21           HN       THR  21 -14.466   2.143   0.399
  174    HA   THR  21           HA       THR  21 -17.200   1.741   0.505
  175    HB   THR  21           HB       THR  21 -15.399   2.614   2.778
  176    HG1  THR  21           HG1      THR  21 -16.149   0.066   1.780
  177   HG21  THR  21          HG21      THR  21 -17.710   2.842   3.433
  178   HG22  THR  21          HG22      THR  21 -17.099   1.349   4.145
  179   HG23  THR  21          HG23      THR  21 -18.120   1.288   2.709
  180    H    GLY  22           HN       GLY  22 -15.454   4.635   1.692
  181    HA2  GLY  22           HA2      GLY  22 -17.264   6.505   0.652
  182    HA3  GLY  22           HA1      GLY  22 -17.754   6.144   2.304
  183    HN1  NH2  23           HT1      GLY  22 -13.888   7.143   2.734
  184    HN2  NH2  23           HT2      GLY  22 -14.466   5.595   2.216
  Start of MODEL    3
    1    H1   PHE   1           HT1      PHE   1  15.673  -7.167  -2.719
    2    H2   PHE   1           HT2      PHE   1  14.101  -7.771  -2.951
    3    H3   PHE   1           HT3      PHE   1  14.815  -7.821  -1.410
    4    HA   PHE   1           HA       PHE   1  14.260  -5.731  -0.928
    5    HB2  PHE   1           HB2      PHE   1  14.982  -5.145  -3.813
    6    HB3  PHE   1           HB1      PHE   1  14.448  -3.912  -2.672
    7    HD1  PHE   1           HD2      PHE   1  17.143  -6.274  -3.536
    8    HD2  PHE   1           HD1      PHE   1  15.850  -3.227  -0.797
    9    HE1  PHE   1           HE2      PHE   1  19.449  -6.102  -2.637
   10    HE2  PHE   1           HE1      PHE   1  18.155  -3.056   0.102
   11    HZ   PHE   1           HZ       PHE   1  19.955  -4.493  -0.818
   12    H    ILE   2           HN       ILE   2  13.089  -6.905  -4.063
   13    HA   ILE   2           HA       ILE   2  10.724  -5.533  -4.315
   14    HB   ILE   2           HB       ILE   2  10.569  -8.460  -4.933
   15   HG12  ILE   2          HG12      ILE   2  12.963  -8.109  -5.268
   16   HG13  ILE   2          HG11      ILE   2  12.180  -8.191  -6.841
   17   HG21  ILE   2          HG21      ILE   2   8.931  -6.815  -5.799
   18   HG22  ILE   2          HG22      ILE   2   9.825  -7.580  -7.113
   19   HG23  ILE   2          HG23      ILE   2  10.238  -5.944  -6.598
   20   HD11  ILE   2          HD11      ILE   2  13.650  -5.969  -5.621
   21   HD12  ILE   2          HD12      ILE   2  12.067  -5.465  -6.205
   22   HD13  ILE   2          HD13      ILE   2  13.210  -6.221  -7.307
   23    H    HIS   3           HN       HIS   3  11.484  -8.199  -2.171
   24    HA   HIS   3           HA       HIS   3   8.978  -9.052  -1.376
   25    HB2  HIS   3           HB2      HIS   3  11.488  -8.651   0.259
   26    HB3  HIS   3           HB1      HIS   3  10.056  -9.487   0.865
   27    HD2  HIS   3           HD2      HIS   3   9.520 -12.006  -0.410
   28    HE1  HIS   3           HE1      HIS   3  13.200 -12.185  -2.471
   29    HE2  HIS   3           HE2      HIS   3  11.131 -13.503  -1.817
   30    H    HIS   4           HN       HIS   4  10.828  -6.285  -0.070
   31    HA   HIS   4           HA       HIS   4   8.776  -5.475   1.749
   32    HB2  HIS   4           HB2      HIS   4  11.181  -4.038   0.616
   33    HB3  HIS   4           HB1      HIS   4  10.109  -3.330   1.825
   34    HD2  HIS   4           HD2      HIS   4  10.091  -4.791   4.359
   35    HE1  HIS   4           HE1      HIS   4  13.711  -6.809   3.557
   36    HE2  HIS   4           HE2      HIS   4  12.013  -6.246   5.360
   37    H    ILE   5           HN       ILE   5   9.826  -4.261  -1.413
   38    HA   ILE   5           HA       ILE   5   7.949  -2.191  -1.678
   39    HB   ILE   5           HB       ILE   5   9.139  -3.878  -3.889
   40   HG12  ILE   5          HG12      ILE   5  10.136  -1.249  -2.755
   41   HG13  ILE   5          HG11      ILE   5  10.775  -2.815  -2.257
   42   HG21  ILE   5          HG21      ILE   5   8.834  -1.645  -5.126
   43   HG22  ILE   5          HG22      ILE   5   7.773  -1.181  -3.796
   44   HG23  ILE   5          HG23      ILE   5   7.370  -2.573  -4.803
   45   HD11  ILE   5          HD11      ILE   5  11.343  -3.307  -4.629
   46   HD12  ILE   5          HD12      ILE   5  12.180  -1.874  -4.032
   47   HD13  ILE   5          HD13      ILE   5  10.773  -1.701  -5.079
   48    H    PHE   6           HN       PHE   6   7.695  -5.630  -2.291
   49    HA   PHE   6           HA       PHE   6   5.287  -5.609  -3.785
   50    HB2  PHE   6           HB2      PHE   6   6.751  -7.577  -3.681
   51    HB3  PHE   6           HB1      PHE   6   6.398  -7.757  -1.963
   52    HD1  PHE   6           HD2      PHE   6   4.713  -7.555  -5.303
   53    HD2  PHE   6           HD1      PHE   6   4.541  -9.025  -1.269
   54    HE1  PHE   6           HE2      PHE   6   2.669  -8.841  -5.859
   55    HE2  PHE   6           HE1      PHE   6   2.495 -10.311  -1.826
   56    HZ   PHE   6           HZ       PHE   6   1.559 -10.220  -4.120
   57    H    ARG   7           HN       ARG   7   5.950  -5.883  -0.324
   58    HA   ARG   7           HA       ARG   7   3.290  -6.280   0.528
   59    HB2  ARG   7           HB2      ARG   7   5.687  -5.085   1.928
   60    HB3  ARG   7           HB1      ARG   7   4.142  -5.365   2.733
   61    HG2  ARG   7           HG2      ARG   7   4.263  -7.751   2.212
   62    HG3  ARG   7           HG1      ARG   7   5.760  -7.502   1.311
   63    HD2  ARG   7           HD2      ARG   7   6.312  -8.317   3.534
   64    HD3  ARG   7           HD1      ARG   7   6.824  -6.636   3.399
   65    HE   ARG   7           HE       ARG   7   4.182  -6.803   4.460
   66   HH11  ARG   7          HH21      ARG   7   7.525  -7.287   5.208
   67   HH12  ARG   7          HH22      ARG   7   7.335  -6.973   6.900
   68   HH21  ARG   7          HH11      ARG   7   3.923  -6.390   6.679
   69   HH22  ARG   7          HH12      ARG   7   5.296  -6.466   7.734
   70    H    GLY   8           HN       GLY   8   5.138  -3.362  -0.172
   71    HA2  GLY   8           HA2      GLY   8   3.329  -1.479   0.927
   72    HA3  GLY   8           HA1      GLY   8   4.529  -1.148  -0.319
   73    H    ILE   9           HN       ILE   9   3.510  -3.109  -2.168
   74    HA   ILE   9           HA       ILE   9   1.633  -1.498  -3.573
   75    HB   ILE   9           HB       ILE   9   2.427  -4.395  -3.940
   76   HG12  ILE   9          HG12      ILE   9   3.165  -1.923  -5.545
   77   HG13  ILE   9          HG11      ILE   9   4.176  -2.586  -4.264
   78   HG21  ILE   9          HG21      ILE   9   0.664  -2.569  -5.587
   79   HG22  ILE   9          HG22      ILE   9   0.290  -4.182  -4.980
   80   HG23  ILE   9          HG23      ILE   9   1.461  -3.981  -6.282
   81   HD11  ILE   9          HD11      ILE   9   3.626  -3.664  -6.996
   82   HD12  ILE   9          HD12      ILE   9   3.820  -4.846  -5.703
   83   HD13  ILE   9          HD13      ILE   9   5.115  -3.707  -6.057
   84    H    VAL  10           HN       VAL  10   1.273  -4.508  -1.721
   85    HA   VAL  10           HA       VAL  10  -1.535  -4.736  -2.111
   86    HB   VAL  10           HB       VAL  10   0.244  -5.870   0.060
   87   HG11  VAL  10          HG11      VAL  10  -2.015  -5.939   0.859
   88   HG12  VAL  10          HG12      VAL  10  -1.669  -7.547   0.223
   89   HG13  VAL  10          HG13      VAL  10  -2.629  -6.410  -0.726
   90   HG21  VAL  10          HG21      VAL  10   0.680  -6.474  -2.394
   91   HG22  VAL  10          HG22      VAL  10  -0.908  -7.244  -2.378
   92   HG23  VAL  10          HG23      VAL  10   0.366  -7.826  -1.306
   93    H    HIS  11           HN       HIS  11   0.431  -3.428   0.543
   94    HA   HIS  11           HA       HIS  11  -1.756  -2.723   2.211
   95    HB2  HIS  11           HB2      HIS  11   0.577  -2.947   3.018
   96    HB3  HIS  11           HB1      HIS  11   1.010  -1.499   2.110
   97    HD2  HIS  11           HD2      HIS  11   0.818   0.743   3.695
   98    HE1  HIS  11           HE1      HIS  11  -2.145  -0.641   6.365
   99    HE2  HIS  11           HE2      HIS  11  -0.620   1.309   5.800
  100    H    ALA  12           HN       ALA  12   0.184  -0.841  -0.114
  101    HA   ALA  12           HA       ALA  12  -1.155   1.620   0.293
  102    HB1  ALA  12           HB1      ALA  12   0.320   0.603  -2.148
  103    HB2  ALA  12           HB2      ALA  12   1.041   1.476  -0.796
  104    HB3  ALA  12           HB3      ALA  12  -0.127   2.282  -1.844
  105    H    GLY  13           HN       GLY  13  -1.871  -1.198  -1.626
  106    HA2  GLY  13           HA2      GLY  13  -3.845   0.085  -3.300
  107    HA3  GLY  13           HA1      GLY  13  -3.553  -1.647  -3.172
  108    H    ARG  14           HN       ARG  14  -3.915  -2.030  -0.461
  109    HA   ARG  14           HA       ARG  14  -6.632  -2.455  -0.195
  110    HB2  ARG  14           HB2      ARG  14  -4.909  -3.471   1.272
  111    HB3  ARG  14           HB1      ARG  14  -4.698  -1.911   2.069
  112    HG2  ARG  14           HG2      ARG  14  -7.018  -1.924   2.809
  113    HG3  ARG  14           HG1      ARG  14  -7.330  -3.412   1.914
  114    HD2  ARG  14           HD2      ARG  14  -5.325  -3.140   4.172
  115    HD3  ARG  14           HD1      ARG  14  -6.939  -3.825   4.340
  116    HE   ARG  14           HE       ARG  14  -4.642  -5.146   3.257
  117   HH11  ARG  14          HH21      ARG  14  -8.076  -4.796   2.996
  118   HH12  ARG  14          HH22      ARG  14  -8.327  -6.382   2.348
  119   HH21  ARG  14          HH11      ARG  14  -4.964  -7.227   2.407
  120   HH22  ARG  14          HH12      ARG  14  -6.565  -7.759   2.013
  121    H    SER  15           HN       SER  15  -4.775   0.427   0.544
  122    HA   SER  15           HA       SER  15  -6.675   1.810   2.100
  123    HB2  SER  15           HB2      SER  15  -4.333   2.541   1.859
  124    HB3  SER  15           HB1      SER  15  -4.631   2.933   0.167
  125    HG   SER  15           HG       SER  15  -5.458   4.220   2.496
  126    H    ILE  16           HN       ILE  16  -6.163   1.686  -1.403
  127    HA   ILE  16           HA       ILE  16  -8.145   3.587  -2.110
  128    HB   ILE  16           HB       ILE  16  -6.841   1.310  -3.612
  129   HG12  ILE  16          HG12      ILE  16  -5.883   3.214  -4.902
  130   HG13  ILE  16          HG11      ILE  16  -6.760   4.339  -3.864
  131   HG21  ILE  16          HG21      ILE  16  -9.089   3.130  -4.490
  132   HG22  ILE  16          HG22      ILE  16  -8.966   1.381  -4.663
  133   HG23  ILE  16          HG23      ILE  16  -7.966   2.436  -5.660
  134   HD11  ILE  16          HD11      ILE  16  -4.269   3.772  -3.292
  135   HD12  ILE  16          HD12      ILE  16  -4.937   2.276  -2.644
  136   HD13  ILE  16          HD13      ILE  16  -5.452   3.828  -1.986
  137    H    GLY  17           HN       GLY  17  -8.262   0.045  -1.788
  138    HA2  GLY  17           HA2      GLY  17 -10.951  -0.271  -2.609
  139    HA3  GLY  17           HA1      GLY  17 -10.031  -1.419  -1.642
  140    H    ARG  18           HN       ARG  18  -9.468   0.311   0.549
  141    HA   ARG  18           HA       ARG  18 -11.787  -0.078   2.115
  142    HB2  ARG  18           HB2      ARG  18  -9.284   1.551   2.580
  143    HB3  ARG  18           HB1      ARG  18 -10.545   1.361   3.795
  144    HG2  ARG  18           HG2      ARG  18  -9.405  -1.102   2.483
  145    HG3  ARG  18           HG1      ARG  18  -8.481  -0.307   3.756
  146    HD2  ARG  18           HD2      ARG  18 -11.335  -1.312   4.003
  147    HD3  ARG  18           HD1      ARG  18  -9.913  -2.069   4.708
  148    HE   ARG  18           HE       ARG  18 -10.079   0.631   5.561
  149   HH11  ARG  18          HH21      ARG  18 -11.587  -2.463   5.919
  150   HH12  ARG  18          HH22      ARG  18 -12.151  -2.156   7.528
  151   HH21  ARG  18          HH11      ARG  18 -10.815   1.041   7.670
  152   HH22  ARG  18          HH12      ARG  18 -11.713  -0.172   8.519
  153    H    PHE  19           HN       PHE  19 -10.464   2.775   0.488
  154    HA   PHE  19           HA       PHE  19 -12.324   4.632   1.588
  155    HB2  PHE  19           HB2      PHE  19 -10.324   4.630  -0.639
  156    HB3  PHE  19           HB1      PHE  19 -11.588   5.856  -0.703
  157    HD1  PHE  19           HD2      PHE  19  -9.470   4.289   1.990
  158    HD2  PHE  19           HD1      PHE  19 -10.951   7.907   0.208
  159    HE1  PHE  19           HE2      PHE  19  -8.266   5.625   3.697
  160    HE2  PHE  19           HE1      PHE  19  -9.747   9.240   1.914
  161    HZ   PHE  19           HZ       PHE  19  -8.405   8.099   3.660
  162    H    LEU  20           HN       LEU  20 -12.328   2.552  -1.261
  163    HA   LEU  20           HA       LEU  20 -14.426   3.625  -2.699
  164    HB2  LEU  20           HB2      LEU  20 -13.095   1.730  -3.516
  165    HB3  LEU  20           HB1      LEU  20 -13.793   0.688  -2.277
  166    HG   LEU  20           HG       LEU  20 -16.039   1.013  -3.254
  167   HD11  LEU  20          HD11      LEU  20 -15.936   2.117  -5.667
  168   HD12  LEU  20          HD12      LEU  20 -14.528   2.943  -5.000
  169   HD13  LEU  20          HD13      LEU  20 -16.106   3.132  -4.235
  170   HD21  LEU  20          HD21      LEU  20 -14.558  -0.821  -4.086
  171   HD22  LEU  20          HD22      LEU  20 -14.004   0.252  -5.372
  172   HD23  LEU  20          HD23      LEU  20 -15.693  -0.251  -5.310
  173    H    THR  21           HN       THR  21 -14.508   1.667   0.213
  174    HA   THR  21           HA       THR  21 -17.149   0.870   0.316
  175    HB   THR  21           HB       THR  21 -16.943   0.904   2.749
  176    HG1  THR  21           HG1      THR  21 -15.133   2.869   2.120
  177   HG21  THR  21          HG21      THR  21 -14.367   0.197   1.317
  178   HG22  THR  21          HG22      THR  21 -15.751  -0.867   1.577
  179   HG23  THR  21          HG23      THR  21 -14.782  -0.330   2.950
  180    H    GLY  22           HN       GLY  22 -15.865   3.934   1.667
  181    HA2  GLY  22           HA2      GLY  22 -18.001   5.511   0.662
  182    HA3  GLY  22           HA1      GLY  22 -18.297   5.096   2.348
  183    HN1  NH2  23           HT1      GLY  22 -14.616   6.695   2.473
  184    HN2  NH2  23           HT2      GLY  22 -14.983   5.069   2.003
  Start of MODEL    4
    1    H1   PHE   1           HT1      PHE   1  14.253  -8.616  -2.977
    2    H2   PHE   1           HT2      PHE   1  13.826  -9.214  -1.445
    3    H3   PHE   1           HT3      PHE   1  15.440  -8.800  -1.779
    4    HA   PHE   1           HA       PHE   1  14.204  -7.142  -0.410
    5    HB2  PHE   1           HB2      PHE   1  15.117  -5.233  -1.652
    6    HB3  PHE   1           HB1      PHE   1  16.247  -6.586  -1.712
    7    HD1  PHE   1           HD2      PHE   1  16.270  -8.082  -3.761
    8    HD2  PHE   1           HD1      PHE   1  14.165  -4.340  -3.641
    9    HE1  PHE   1           HE2      PHE   1  16.176  -8.055  -6.239
   10    HE2  PHE   1           HE1      PHE   1  14.073  -4.312  -6.119
   11    HZ   PHE   1           HZ       PHE   1  15.077  -6.170  -7.418
   12    H    ILE   2           HN       ILE   2  13.025  -7.759  -3.677
   13    HA   ILE   2           HA       ILE   2  11.133  -5.750  -3.942
   14    HB   ILE   2           HB       ILE   2  10.844  -8.626  -4.855
   15   HG12  ILE   2          HG12      ILE   2  12.054  -6.287  -6.357
   16   HG13  ILE   2          HG11      ILE   2  13.024  -7.459  -5.465
   17   HG21  ILE   2          HG21      ILE   2   8.792  -7.279  -5.065
   18   HG22  ILE   2          HG22      ILE   2   9.487  -7.597  -6.654
   19   HG23  ILE   2          HG23      ILE   2   9.697  -6.017  -5.900
   20   HD11  ILE   2          HD11      ILE   2  12.825  -8.037  -7.880
   21   HD12  ILE   2          HD12      ILE   2  11.077  -8.167  -7.677
   22   HD13  ILE   2          HD13      ILE   2  12.149  -9.282  -6.829
   23    H    HIS   3           HN       HIS   3  11.004  -8.734  -2.094
   24    HA   HIS   3           HA       HIS   3   8.308  -9.015  -1.586
   25    HB2  HIS   3           HB2      HIS   3   8.923 -10.111   0.489
   26    HB3  HIS   3           HB1      HIS   3  10.118 -10.522  -0.740
   27    HD2  HIS   3           HD2      HIS   3   9.867  -8.187   2.449
   28    HE1  HIS   3           HE1      HIS   3  13.933  -8.608   1.397
   29    HE2  HIS   3           HE2      HIS   3  12.333  -7.660   3.125
   30    H    HIS   4           HN       HIS   4  10.602  -6.877   0.108
   31    HA   HIS   4           HA       HIS   4   8.662  -5.786   1.899
   32    HB2  HIS   4           HB2      HIS   4  11.070  -5.709   2.380
   33    HB3  HIS   4           HB1      HIS   4  11.319  -4.657   0.986
   34    HD2  HIS   4           HD2      HIS   4  11.148  -1.984   1.648
   35    HE1  HIS   4           HE1      HIS   4   8.893  -2.383   5.195
   36    HE2  HIS   4           HE2      HIS   4  10.085  -0.731   3.678
   37    H    ILE   5           HN       ILE   5  10.129  -4.582  -1.095
   38    HA   ILE   5           HA       ILE   5   8.709  -2.154  -1.240
   39    HB   ILE   5           HB       ILE   5   9.837  -3.858  -3.473
   40   HG12  ILE   5          HG12      ILE   5  10.964  -1.378  -2.138
   41   HG13  ILE   5          HG11      ILE   5  11.419  -3.019  -1.677
   42   HG21  ILE   5          HG21      ILE   5   9.840  -1.620  -4.685
   43   HG22  ILE   5          HG22      ILE   5   8.789  -1.017  -3.405
   44   HG23  ILE   5          HG23      ILE   5   8.248  -2.338  -4.442
   45   HD11  ILE   5          HD11      ILE   5  13.071  -2.266  -3.252
   46   HD12  ILE   5          HD12      ILE   5  11.830  -1.680  -4.362
   47   HD13  ILE   5          HD13      ILE   5  12.041  -3.414  -4.108
   48    H    PHE   6           HN       PHE   6   7.865  -5.408  -2.200
   49    HA   PHE   6           HA       PHE   6   5.627  -4.774  -3.830
   50    HB2  PHE   6           HB2      PHE   6   6.807  -6.989  -3.788
   51    HB3  PHE   6           HB1      PHE   6   6.054  -7.301  -2.224
   52    HD1  PHE   6           HD2      PHE   6   5.300  -6.508  -5.791
   53    HD2  PHE   6           HD1      PHE   6   3.813  -8.064  -2.074
   54    HE1  PHE   6           HE2      PHE   6   3.232  -7.262  -6.935
   55    HE2  PHE   6           HE1      PHE   6   1.745  -8.817  -3.216
   56    HZ   PHE   6           HZ       PHE   6   1.455  -8.416  -5.647
   57    H    ARG   7           HN       ARG   7   6.035  -5.355  -0.392
   58    HA   ARG   7           HA       ARG   7   3.384  -5.618   0.409
   59    HB2  ARG   7           HB2      ARG   7   5.313  -5.909   1.931
   60    HB3  ARG   7           HB1      ARG   7   5.587  -4.167   1.899
   61    HG2  ARG   7           HG2      ARG   7   3.307  -3.811   2.826
   62    HG3  ARG   7           HG1      ARG   7   3.077  -5.558   2.896
   63    HD2  ARG   7           HD2      ARG   7   5.291  -4.056   4.321
   64    HD3  ARG   7           HD1      ARG   7   3.787  -4.569   5.079
   65    HE   ARG   7           HE       ARG   7   6.012  -6.289   4.286
   66   HH11  ARG   7          HH21      ARG   7   2.714  -5.982   5.288
   67   HH12  ARG   7          HH22      ARG   7   2.591  -7.611   5.860
   68   HH21  ARG   7          HH11      ARG   7   5.858  -8.428   5.035
   69   HH22  ARG   7          HH12      ARG   7   4.371  -8.995   5.718
   70    H    GLY   8           HN       GLY   8   5.199  -2.718  -0.439
   71    HA2  GLY   8           HA2      GLY   8   3.384  -0.793   0.561
   72    HA3  GLY   8           HA1      GLY   8   4.560  -0.527  -0.721
   73    H    ILE   9           HN       ILE   9   3.545  -2.562  -2.467
   74    HA   ILE   9           HA       ILE   9   1.563  -1.048  -3.859
   75    HB   ILE   9           HB       ILE   9   2.681  -3.827  -4.252
   76   HG12  ILE   9          HG12      ILE   9   3.626  -2.769  -6.289
   77   HG13  ILE   9          HG11      ILE   9   2.856  -1.246  -5.843
   78   HG21  ILE   9          HG21      ILE   9   1.436  -3.629  -6.530
   79   HG22  ILE   9          HG22      ILE   9   0.427  -2.437  -5.708
   80   HG23  ILE   9          HG23      ILE   9   0.493  -4.096  -5.113
   81   HD11  ILE   9          HD11      ILE   9   4.267  -0.924  -3.997
   82   HD12  ILE   9          HD12      ILE   9   5.359  -1.638  -5.182
   83   HD13  ILE   9          HD13      ILE   9   4.685  -2.634  -3.895
   84    H    VAL  10           HN       VAL  10   1.427  -4.035  -1.949
   85    HA   VAL  10           HA       VAL  10  -1.353  -4.494  -2.329
   86    HB   VAL  10           HB       VAL  10   0.507  -5.408  -0.121
   87   HG11  VAL  10          HG11      VAL  10  -1.702  -5.660   0.725
   88   HG12  VAL  10          HG12      VAL  10  -1.291  -7.240   0.057
   89   HG13  VAL  10          HG13      VAL  10  -2.333  -6.144  -0.850
   90   HG21  VAL  10          HG21      VAL  10   1.040  -6.085  -2.505
   91   HG22  VAL  10          HG22      VAL  10  -0.525  -6.896  -2.552
   92   HG23  VAL  10          HG23      VAL  10   0.712  -7.434  -1.416
   93    H    HIS  11           HN       HIS  11   0.485  -2.971   0.307
   94    HA   HIS  11           HA       HIS  11  -1.764  -2.374   1.928
   95    HB2  HIS  11           HB2      HIS  11   0.580  -2.400   2.752
   96    HB3  HIS  11           HB1      HIS  11   0.899  -0.939   1.816
   97    HD2  HIS  11           HD2      HIS  11  -0.982  -1.996   5.090
   98    HE1  HIS  11           HE1      HIS  11  -1.236   2.205   4.740
   99    HE2  HIS  11           HE2      HIS  11  -1.697   0.226   6.263
  100    H    ALA  12           HN       ALA  12   0.023  -0.462  -0.482
  101    HA   ALA  12           HA       ALA  12  -1.424   1.937  -0.153
  102    HB1  ALA  12           HB1      ALA  12  -0.516   2.549  -2.348
  103    HB2  ALA  12           HB2      ALA  12  -0.039   0.874  -2.626
  104    HB3  ALA  12           HB3      ALA  12   0.730   1.810  -1.344
  105    H    GLY  13           HN       GLY  13  -2.154  -1.031  -1.795
  106    HA2  GLY  13           HA2      GLY  13  -4.263   0.085  -3.442
  107    HA3  GLY  13           HA1      GLY  13  -3.874  -1.623  -3.254
  108    H    ARG  14           HN       ARG  14  -3.987  -1.655  -0.398
  109    HA   ARG  14           HA       ARG  14  -6.668  -2.303   0.048
  110    HB2  ARG  14           HB2      ARG  14  -4.470  -1.556   1.987
  111    HB3  ARG  14           HB1      ARG  14  -6.052  -2.134   2.503
  112    HG2  ARG  14           HG2      ARG  14  -4.563  -3.745   0.442
  113    HG3  ARG  14           HG1      ARG  14  -4.030  -3.847   2.118
  114    HD2  ARG  14           HD2      ARG  14  -6.846  -4.381   1.117
  115    HD3  ARG  14           HD1      ARG  14  -5.688  -5.604   1.628
  116    HE   ARG  14           HE       ARG  14  -5.869  -3.969   3.802
  117   HH11  ARG  14          HH21      ARG  14  -8.153  -5.592   1.769
  118   HH12  ARG  14          HH22      ARG  14  -9.329  -5.801   3.025
  119   HH21  ARG  14          HH11      ARG  14  -7.406  -4.241   5.452
  120   HH22  ARG  14          HH12      ARG  14  -8.905  -5.037   5.109
  121    H    SER  15           HN       SER  15  -4.955   0.741   0.482
  122    HA   SER  15           HA       SER  15  -6.900   2.128   1.972
  123    HB2  SER  15           HB2      SER  15  -5.836   4.174   0.980
  124    HB3  SER  15           HB1      SER  15  -4.690   3.055   1.715
  125    HG   SER  15           HG       SER  15  -3.796   2.890  -0.169
  126    H    ILE  16           HN       ILE  16  -6.459   1.753  -1.516
  127    HA   ILE  16           HA       ILE  16  -8.603   3.452  -2.294
  128    HB   ILE  16           HB       ILE  16  -7.085   1.241  -3.681
  129   HG12  ILE  16          HG12      ILE  16  -6.310   3.093  -5.083
  130   HG13  ILE  16          HG11      ILE  16  -7.420   4.200  -4.273
  131   HG21  ILE  16          HG21      ILE  16  -9.590   2.653  -4.601
  132   HG22  ILE  16          HG22      ILE  16  -9.194   0.938  -4.699
  133   HG23  ILE  16          HG23      ILE  16  -8.400   2.087  -5.775
  134   HD11  ILE  16          HD11      ILE  16  -4.928   4.143  -3.494
  135   HD12  ILE  16          HD12      ILE  16  -5.389   2.652  -2.675
  136   HD13  ILE  16          HD13      ILE  16  -6.196   4.167  -2.268
  137    H    GLY  17           HN       GLY  17  -8.403  -0.066  -1.791
  138    HA2  GLY  17           HA2      GLY  17 -11.068  -0.665  -2.519
  139    HA3  GLY  17           HA1      GLY  17 -10.036  -1.662  -1.498
  140    H    ARG  18           HN       ARG  18  -9.590   0.015   0.651
  141    HA   ARG  18           HA       ARG  18 -11.900  -0.359   2.211
  142    HB2  ARG  18           HB2      ARG  18  -9.422   1.314   2.613
  143    HB3  ARG  18           HB1      ARG  18 -10.699   1.220   3.826
  144    HG2  ARG  18           HG2      ARG  18 -10.445  -1.210   3.951
  145    HG3  ARG  18           HG1      ARG  18  -9.228  -1.171   2.675
  146    HD2  ARG  18           HD2      ARG  18  -8.154  -1.294   4.880
  147    HD3  ARG  18           HD1      ARG  18  -7.777   0.235   4.095
  148    HE   ARG  18           HE       ARG  18 -10.096   0.442   5.771
  149   HH11  ARG  18          HH21      ARG  18  -6.638   0.316   5.723
  150   HH12  ARG  18          HH22      ARG  18  -6.447   1.215   7.191
  151   HH21  ARG  18          HH11      ARG  18  -9.854   1.622   7.697
  152   HH22  ARG  18          HH12      ARG  18  -8.267   1.954   8.309
  153    H    PHE  19           HN       PHE  19 -10.665   2.478   0.488
  154    HA   PHE  19           HA       PHE  19 -12.555   4.330   1.531
  155    HB2  PHE  19           HB2      PHE  19 -10.654   4.291  -0.799
  156    HB3  PHE  19           HB1      PHE  19 -11.901   5.537  -0.746
  157    HD1  PHE  19           HD2      PHE  19  -9.981   3.934   2.051
  158    HD2  PHE  19           HD1      PHE  19 -10.786   7.533  -0.149
  159    HE1  PHE  19           HE2      PHE  19  -8.634   5.222   3.676
  160    HE2  PHE  19           HE1      PHE  19  -9.434   8.826   1.478
  161    HZ   PHE  19           HZ       PHE  19  -8.357   7.670   3.391
  162    H    LEU  20           HN       LEU  20 -12.553   2.118  -1.210
  163    HA   LEU  20           HA       LEU  20 -14.676   3.060  -2.697
  164    HB2  LEU  20           HB2      LEU  20 -13.209   1.038  -3.182
  165    HB3  LEU  20           HB1      LEU  20 -14.249   0.130  -2.084
  166    HG   LEU  20           HG       LEU  20 -16.195   1.182  -3.601
  167   HD11  LEU  20          HD11      LEU  20 -15.477   1.333  -5.967
  168   HD12  LEU  20          HD12      LEU  20 -13.804   1.092  -5.467
  169   HD13  LEU  20          HD13      LEU  20 -14.668   2.546  -4.974
  170   HD21  LEU  20          HD21      LEU  20 -16.072  -0.856  -5.037
  171   HD22  LEU  20          HD22      LEU  20 -15.810  -1.220  -3.331
  172   HD23  LEU  20          HD23      LEU  20 -14.439  -1.150  -4.439
  173    H    THR  21           HN       THR  21 -14.730   1.270   0.334
  174    HA   THR  21           HA       THR  21 -17.376   0.491   0.495
  175    HB   THR  21           HB       THR  21 -17.140   0.655   2.927
  176    HG1  THR  21           HG1      THR  21 -15.101   1.592   3.659
  177   HG21  THR  21          HG21      THR  21 -15.237  -0.784   3.169
  178   HG22  THR  21          HG22      THR  21 -14.475  -0.120   1.724
  179   HG23  THR  21          HG23      THR  21 -15.922  -1.118   1.579
  180    H    GLY  22           HN       GLY  22 -16.066   3.583   1.750
  181    HA2  GLY  22           HA2      GLY  22 -18.666   4.721   2.115
  182    HA3  GLY  22           HA1      GLY  22 -17.127   5.573   2.224
  183    HN1  NH2  23           HT1      GLY  22 -17.649   5.229  -1.740
  184    HN2  NH2  23           HT2      GLY  22 -17.038   3.986  -0.701
  Start of MODEL    5
    1    H1   PHE   1           HT1      PHE   1  15.087  -7.258  -3.006
    2    H2   PHE   1           HT2      PHE   1  14.223  -7.884  -1.683
    3    H3   PHE   1           HT3      PHE   1  15.809  -7.311  -1.473
    4    HA   PHE   1           HA       PHE   1  14.433  -5.629  -0.623
    5    HB2  PHE   1           HB2      PHE   1  15.185  -4.943  -3.482
    6    HB3  PHE   1           HB1      PHE   1  14.847  -3.776  -2.203
    7    HD1  PHE   1           HD2      PHE   1  16.375  -3.520  -0.284
    8    HD2  PHE   1           HD1      PHE   1  17.251  -6.213  -3.514
    9    HE1  PHE   1           HE2      PHE   1  18.730  -3.676   0.483
   10    HE2  PHE   1           HE1      PHE   1  19.604  -6.369  -2.748
   11    HZ   PHE   1           HZ       PHE   1  20.344  -5.100  -0.749
   12    H    ILE   2           HN       ILE   2  13.371  -6.699  -3.839
   13    HA   ILE   2           HA       ILE   2  11.051  -5.240  -4.141
   14    HB   ILE   2           HB       ILE   2  11.284  -8.168  -4.852
   15   HG12  ILE   2          HG12      ILE   2  13.337  -7.123  -5.597
   16   HG13  ILE   2          HG11      ILE   2  12.289  -7.302  -7.001
   17   HG21  ILE   2          HG21      ILE   2   9.099  -6.920  -5.172
   18   HG22  ILE   2          HG22      ILE   2   9.789  -7.597  -6.649
   19   HG23  ILE   2          HG23      ILE   2   9.951  -5.874  -6.309
   20   HD11  ILE   2          HD11      ILE   2  11.491  -4.891  -6.451
   21   HD12  ILE   2          HD12      ILE   2  13.087  -5.083  -7.173
   22   HD13  ILE   2          HD13      ILE   2  12.928  -4.797  -5.441
   23    H    HIS   3           HN       HIS   3  11.648  -8.032  -2.104
   24    HA   HIS   3           HA       HIS   3   9.086  -8.866  -1.481
   25    HB2  HIS   3           HB2      HIS   3  11.121  -9.949  -0.620
   26    HB3  HIS   3           HB1      HIS   3  11.414  -8.562   0.431
   27    HD2  HIS   3           HD2      HIS   3  10.077  -8.693   2.863
   28    HE1  HIS   3           HE1      HIS   3   7.451 -11.855   1.898
   29    HE2  HIS   3           HE2      HIS   3   8.244 -10.321   3.761
   30    H    HIS   4           HN       HIS   4  10.927  -6.219   0.062
   31    HA   HIS   4           HA       HIS   4   8.834  -5.461   1.848
   32    HB2  HIS   4           HB2      HIS   4  11.186  -4.857   2.240
   33    HB3  HIS   4           HB1      HIS   4  11.165  -3.837   0.801
   34    HD2  HIS   4           HD2      HIS   4   9.949  -3.726   4.509
   35    HE1  HIS   4           HE1      HIS   4   8.784  -0.106   2.672
   36    HE2  HIS   4           HE2      HIS   4   8.953  -1.341   4.885
   37    H    ILE   5           HN       ILE   5   9.954  -4.138  -1.237
   38    HA   ILE   5           HA       ILE   5   8.061  -2.067  -1.462
   39    HB   ILE   5           HB       ILE   5   9.475  -3.632  -3.635
   40   HG12  ILE   5          HG12      ILE   5  10.050  -0.862  -2.550
   41   HG13  ILE   5          HG11      ILE   5  10.842  -2.312  -1.929
   42   HG21  ILE   5          HG21      ILE   5   7.763  -1.141  -3.703
   43   HG22  ILE   5          HG22      ILE   5   7.615  -2.594  -4.693
   44   HG23  ILE   5          HG23      ILE   5   8.960  -1.483  -4.954
   45   HD11  ILE   5          HD11      ILE   5  12.273  -1.343  -3.627
   46   HD12  ILE   5          HD12      ILE   5  10.934  -1.264  -4.772
   47   HD13  ILE   5          HD13      ILE   5  11.582  -2.828  -4.278
   48    H    PHE   6           HN       PHE   6   7.884  -5.475  -2.239
   49    HA   PHE   6           HA       PHE   6   5.532  -5.426  -3.821
   50    HB2  PHE   6           HB2      PHE   6   7.100  -7.362  -3.672
   51    HB3  PHE   6           HB1      PHE   6   6.508  -7.668  -2.039
   52    HD1  PHE   6           HD2      PHE   6   5.465  -7.427  -5.607
   53    HD2  PHE   6           HD1      PHE   6   4.439  -8.787  -1.664
   54    HE1  PHE   6           HE2      PHE   6   3.536  -8.675  -6.540
   55    HE2  PHE   6           HE1      PHE   6   2.510 -10.036  -2.596
   56    HZ   PHE   6           HZ       PHE   6   2.058  -9.980  -5.035
   57    H    ARG   7           HN       ARG   7   6.086  -5.808  -0.357
   58    HA   ARG   7           HA       ARG   7   3.445  -6.355   0.413
   59    HB2  ARG   7           HB2      ARG   7   5.811  -6.163   1.775
   60    HB3  ARG   7           HB1      ARG   7   5.058  -4.656   2.279
   61    HG2  ARG   7           HG2      ARG   7   3.801  -7.410   2.507
   62    HG3  ARG   7           HG1      ARG   7   4.496  -6.491   3.842
   63    HD2  ARG   7           HD2      ARG   7   2.838  -4.624   3.156
   64    HD3  ARG   7           HD1      ARG   7   2.027  -5.874   2.219
   65    HE   ARG   7           HE       ARG   7   2.448  -6.776   4.882
   66   HH11  ARG   7          HH21      ARG   7   0.581  -4.585   2.962
   67   HH12  ARG   7          HH22      ARG   7  -0.788  -4.604   4.023
   68   HH21  ARG   7          HH11      ARG   7   0.658  -6.805   6.280
   69   HH22  ARG   7          HH12      ARG   7  -0.745  -5.860   5.901
   70    H    GLY   8           HN       GLY   8   5.090  -3.302  -0.235
   71    HA2  GLY   8           HA2      GLY   8   3.152  -1.539   0.795
   72    HA3  GLY   8           HA1      GLY   8   4.311  -1.154  -0.473
   73    H    ILE   9           HN       ILE   9   3.400  -3.245  -2.245
   74    HA   ILE   9           HA       ILE   9   1.427  -1.805  -3.695
   75    HB   ILE   9           HB       ILE   9   2.128  -4.734  -4.011
   76   HG12  ILE   9          HG12      ILE   9   4.184  -3.418  -4.044
   77   HG13  ILE   9          HG11      ILE   9   3.787  -3.890  -5.691
   78   HG21  ILE   9          HG21      ILE   9   1.065  -2.663  -5.952
   79   HG22  ILE   9          HG22      ILE   9   0.124  -3.979  -5.251
   80   HG23  ILE   9          HG23      ILE   9   1.455  -4.335  -6.353
   81   HD11  ILE   9          HD11      ILE   9   4.294  -1.608  -5.939
   82   HD12  ILE   9          HD12      ILE   9   3.572  -1.179  -4.391
   83   HD13  ILE   9          HD13      ILE   9   2.539  -1.562  -5.758
   84    H    VAL  10           HN       VAL  10   1.240  -4.730  -1.691
   85    HA   VAL  10           HA       VAL  10  -1.532  -5.180  -2.055
   86    HB   VAL  10           HB       VAL  10   0.308  -5.963   0.221
   87   HG11  VAL  10          HG11      VAL  10  -1.488  -7.715   0.622
   88   HG12  VAL  10          HG12      VAL  10  -2.527  -6.790  -0.459
   89   HG13  VAL  10          HG13      VAL  10  -1.956  -6.068   1.044
   90   HG21  VAL  10          HG21      VAL  10  -0.752  -7.551  -2.138
   91   HG22  VAL  10          HG22      VAL  10   0.397  -8.115  -0.924
   92   HG23  VAL  10          HG23      VAL  10   0.863  -6.845  -2.058
   93    H    HIS  11           HN       HIS  11   0.287  -3.437   0.446
   94    HA   HIS  11           HA       HIS  11  -1.961  -2.742   2.030
   95    HB2  HIS  11           HB2      HIS  11   0.375  -2.659   2.851
   96    HB3  HIS  11           HB1      HIS  11   0.684  -1.297   1.773
   97    HD2  HIS  11           HD2      HIS  11   0.382   1.057   3.164
   98    HE1  HIS  11           HE1      HIS  11  -2.629  -0.189   5.846
   99    HE2  HIS  11           HE2      HIS  11  -1.161   1.763   5.148
  100    H    ALA  12           HN       ALA  12  -0.204  -0.990  -0.527
  101    HA   ALA  12           HA       ALA  12  -1.689   1.401  -0.395
  102    HB1  ALA  12           HB1      ALA  12  -0.911   1.656  -2.810
  103    HB2  ALA  12           HB2      ALA  12  -0.137   0.081  -2.624
  104    HB3  ALA  12           HB3      ALA  12   0.359   1.434  -1.605
  105    H    GLY  13           HN       GLY  13  -2.331  -1.688  -1.899
  106    HA2  GLY  13           HA2      GLY  13  -4.460  -0.772  -3.597
  107    HA3  GLY  13           HA1      GLY  13  -4.090  -2.448  -3.202
  108    H    ARG  14           HN       ARG  14  -4.280  -2.382  -0.457
  109    HA   ARG  14           HA       ARG  14  -7.059  -2.675  -0.040
  110    HB2  ARG  14           HB2      ARG  14  -4.765  -2.442   1.914
  111    HB3  ARG  14           HB1      ARG  14  -6.423  -2.792   2.404
  112    HG2  ARG  14           HG2      ARG  14  -6.451  -4.799   1.004
  113    HG3  ARG  14           HG1      ARG  14  -4.830  -4.431   0.415
  114    HD2  ARG  14           HD2      ARG  14  -4.728  -6.112   2.204
  115    HD3  ARG  14           HD1      ARG  14  -3.950  -4.617   2.717
  116    HE   ARG  14           HE       ARG  14  -6.694  -4.620   3.480
  117   HH11  ARG  14          HH21      ARG  14  -3.613  -6.025   4.196
  118   HH12  ARG  14          HH22      ARG  14  -3.971  -6.298   5.867
  119   HH21  ARG  14          HH11      ARG  14  -7.170  -4.976   5.673
  120   HH22  ARG  14          HH12      ARG  14  -5.985  -5.705   6.705
  121    H    SER  15           HN       SER  15  -4.820  -0.043   0.712
  122    HA   SER  15           HA       SER  15  -6.601   1.537   2.242
  123    HB2  SER  15           HB2      SER  15  -5.061   3.396   1.709
  124    HB3  SER  15           HB1      SER  15  -4.192   1.950   2.214
  125    HG   SER  15           HG       SER  15  -4.461   3.098  -0.336
  126    H    ILE  16           HN       ILE  16  -5.870   1.460  -1.220
  127    HA   ILE  16           HA       ILE  16  -7.539   3.632  -1.955
  128    HB   ILE  16           HB       ILE  16  -6.550   1.247  -3.541
  129   HG12  ILE  16          HG12      ILE  16  -5.700   4.149  -3.684
  130   HG13  ILE  16          HG11      ILE  16  -4.924   2.998  -2.595
  131   HG21  ILE  16          HG21      ILE  16  -8.163   3.673  -4.353
  132   HG22  ILE  16          HG22      ILE  16  -8.461   1.980  -4.742
  133   HG23  ILE  16          HG23      ILE  16  -7.125   2.835  -5.509
  134   HD11  ILE  16          HD11      ILE  16  -5.152   2.701  -5.606
  135   HD12  ILE  16          HD12      ILE  16  -4.390   1.542  -4.519
  136   HD13  ILE  16          HD13      ILE  16  -3.692   3.148  -4.725
  137    H    GLY  17           HN       GLY  17  -8.105   0.127  -1.822
  138    HA2  GLY  17           HA2      GLY  17 -10.762   0.210  -2.829
  139    HA3  GLY  17           HA1      GLY  17 -10.040  -1.117  -1.927
  140    H    ARG  18           HN       ARG  18  -9.372   0.472   0.396
  141    HA   ARG  18           HA       ARG  18 -11.707   0.146   1.917
  142    HB2  ARG  18           HB2      ARG  18  -9.421   0.198   2.872
  143    HB3  ARG  18           HB1      ARG  18  -9.334   1.925   2.526
  144    HG2  ARG  18           HG2      ARG  18 -11.234   2.354   4.000
  145    HG3  ARG  18           HG1      ARG  18 -11.436   0.626   4.285
  146    HD2  ARG  18           HD2      ARG  18  -9.118   0.569   5.233
  147    HD3  ARG  18           HD1      ARG  18  -9.049   2.321   5.065
  148    HE   ARG  18           HE       ARG  18 -10.505   2.519   6.887
  149   HH11  ARG  18          HH21      ARG  18 -10.262  -0.747   5.771
  150   HH12  ARG  18          HH22      ARG  18 -11.090  -1.421   7.135
  151   HH21  ARG  18          HH11      ARG  18 -11.591   1.643   8.680
  152   HH22  ARG  18          HH12      ARG  18 -11.842  -0.068   8.782
  153    H    PHE  19           HN       PHE  19 -10.313   3.032   0.390
  154    HA   PHE  19           HA       PHE  19 -12.110   4.920   1.481
  155    HB2  PHE  19           HB2      PHE  19 -10.275   4.858  -0.907
  156    HB3  PHE  19           HB1      PHE  19 -11.445   6.168  -0.772
  157    HD1  PHE  19           HD2      PHE  19  -9.376   4.331   1.782
  158    HD2  PHE  19           HD1      PHE  19 -10.354   8.104  -0.023
  159    HE1  PHE  19           HE2      PHE  19  -7.909   5.485   3.406
  160    HE2  PHE  19           HE1      PHE  19  -8.883   9.260   1.604
  161    HZ   PHE  19           HZ       PHE  19  -7.660   7.951   3.319
  162    H    LEU  20           HN       LEU  20 -12.317   2.764  -1.282
  163    HA   LEU  20           HA       LEU  20 -14.406   3.847  -2.711
  164    HB2  LEU  20           HB2      LEU  20 -13.067   1.677  -3.151
  165    HB3  LEU  20           HB1      LEU  20 -14.276   0.889  -2.139
  166    HG   LEU  20           HG       LEU  20 -15.990   2.160  -3.744
  167   HD11  LEU  20          HD11      LEU  20 -15.144   2.375  -6.040
  168   HD12  LEU  20          HD12      LEU  20 -13.542   1.860  -5.518
  169   HD13  LEU  20          HD13      LEU  20 -14.194   3.395  -4.962
  170   HD21  LEU  20          HD21      LEU  20 -15.740   0.147  -5.378
  171   HD22  LEU  20          HD22      LEU  20 -16.082  -0.200  -3.685
  172   HD23  LEU  20          HD23      LEU  20 -14.440  -0.375  -4.302
  173    H    THR  21           HN       THR  21 -14.515   2.137   0.353
  174    HA   THR  21           HA       THR  21 -17.183   1.475   0.585
  175    HB   THR  21           HB       THR  21 -15.307   1.122   2.290
  176    HG1  THR  21           HG1      THR  21 -17.121   1.851   3.990
  177   HG21  THR  21          HG21      THR  21 -14.848   2.813   3.894
  178   HG22  THR  21          HG22      THR  21 -16.238   3.774   3.390
  179   HG23  THR  21          HG23      THR  21 -14.826   3.659   2.345
  180    H    GLY  22           HN       GLY  22 -18.885   2.611   1.891
  181    HA2  GLY  22           HA2      GLY  22 -18.892   5.436   2.175
  182    HA3  GLY  22           HA1      GLY  22 -19.709   4.981   0.683
  183    HN1  NH2  23           HT1      GLY  22 -21.619   2.763   3.429
  184    HN2  NH2  23           HT2      GLY  22 -20.090   2.371   2.716
  Start of MODEL    6
    1    H1   PHE   1           HT1      PHE   1  13.938  -8.115  -1.961
    2    H2   PHE   1           HT2      PHE   1  15.430  -7.709  -1.256
    3    H3   PHE   1           HT3      PHE   1  15.216  -7.571  -2.937
    4    HA   PHE   1           HA       PHE   1  14.404  -5.777  -0.800
    5    HB2  PHE   1           HB2      PHE   1  15.024  -5.432  -3.752
    6    HB3  PHE   1           HB1      PHE   1  14.799  -4.122  -2.591
    7    HD1  PHE   1           HD2      PHE   1  16.950  -7.007  -3.501
    8    HD2  PHE   1           HD1      PHE   1  16.527  -3.509  -1.046
    9    HE1  PHE   1           HE2      PHE   1  19.334  -7.181  -2.842
   10    HE2  PHE   1           HE1      PHE   1  18.912  -3.684  -0.386
   11    HZ   PHE   1           HZ       PHE   1  20.316  -5.519  -1.284
   12    H    ILE   2           HN       ILE   2  13.144  -7.070  -3.873
   13    HA   ILE   2           HA       ILE   2  10.852  -5.561  -4.148
   14    HB   ILE   2           HB       ILE   2  11.680  -7.283  -5.766
   15   HG12  ILE   2          HG12      ILE   2   8.802  -7.756  -4.946
   16   HG13  ILE   2          HG11      ILE   2   9.336  -6.295  -5.778
   17   HG21  ILE   2          HG21      ILE   2  10.272  -9.247  -3.936
   18   HG22  ILE   2          HG22      ILE   2  12.024  -9.041  -3.975
   19   HG23  ILE   2          HG23      ILE   2  11.170  -9.614  -5.409
   20   HD11  ILE   2          HD11      ILE   2   8.452  -8.056  -7.333
   21   HD12  ILE   2          HD12      ILE   2   9.778  -9.104  -6.828
   22   HD13  ILE   2          HD13      ILE   2  10.120  -7.594  -7.674
   23    H    HIS   3           HN       HIS   3  11.497  -8.217  -1.952
   24    HA   HIS   3           HA       HIS   3   8.963  -8.956  -1.140
   25    HB2  HIS   3           HB2      HIS   3  11.504  -8.636   0.464
   26    HB3  HIS   3           HB1      HIS   3  10.035  -9.354   1.126
   27    HD2  HIS   3           HD2      HIS   3   9.650 -12.021   0.423
   28    HE1  HIS   3           HE1      HIS   3  12.697 -12.272  -2.489
   29    HE2  HIS   3           HE2      HIS   3  10.965 -13.600  -1.189
   30    H    HIS   4           HN       HIS   4  10.915  -6.240   0.099
   31    HA   HIS   4           HA       HIS   4   8.907  -5.310   1.906
   32    HB2  HIS   4           HB2      HIS   4  11.314  -4.779   2.159
   33    HB3  HIS   4           HB1      HIS   4  11.235  -3.798   0.695
   34    HD2  HIS   4           HD2      HIS   4  10.255  -1.218   1.091
   35    HE1  HIS   4           HE1      HIS   4   8.991  -1.719   5.088
   36    HE2  HIS   4           HE2      HIS   4   9.302  -0.034   3.214
   37    H    ILE   5           HN       ILE   5   9.967  -4.229  -1.308
   38    HA   ILE   5           HA       ILE   5   8.148  -2.100  -1.592
   39    HB   ILE   5           HB       ILE   5   9.267  -3.856  -3.790
   40   HG12  ILE   5          HG12      ILE   5  10.402  -1.293  -2.629
   41   HG13  ILE   5          HG11      ILE   5  10.979  -2.902  -2.193
   42   HG21  ILE   5          HG21      ILE   5   7.440  -2.359  -4.501
   43   HG22  ILE   5          HG22      ILE   5   8.982  -1.811  -5.155
   44   HG23  ILE   5          HG23      ILE   5   8.271  -0.989  -3.767
   45   HD11  ILE   5          HD11      ILE   5  10.903  -1.824  -5.025
   46   HD12  ILE   5          HD12      ILE   5  11.596  -3.360  -4.502
   47   HD13  ILE   5          HD13      ILE   5  12.339  -1.839  -4.003
   48    H    PHE   6           HN       PHE   6   7.807  -5.547  -2.115
   49    HA   PHE   6           HA       PHE   6   5.411  -5.496  -3.621
   50    HB2  PHE   6           HB2      PHE   6   6.898  -7.485  -3.394
   51    HB3  PHE   6           HB1      PHE   6   6.356  -7.657  -1.725
   52    HD1  PHE   6           HD1      PHE   6   5.264  -7.723  -5.272
   53    HD2  PHE   6           HD2      PHE   6   4.192  -8.550  -1.196
   54    HE1  PHE   6           HE1      PHE   6   3.256  -8.951  -6.050
   55    HE2  PHE   6           HE2      PHE   6   2.183  -9.778  -1.974
   56    HZ   PHE   6           HZ       PHE   6   1.714  -9.979  -4.401
   57    H    ARG   7           HN       ARG   7   6.054  -5.606  -0.156
   58    HA   ARG   7           HA       ARG   7   3.409  -6.011   0.725
   59    HB2  ARG   7           HB2      ARG   7   5.397  -6.229   2.184
   60    HB3  ARG   7           HB1      ARG   7   5.616  -4.480   2.120
   61    HG2  ARG   7           HG2      ARG   7   3.433  -4.129   3.154
   62    HG3  ARG   7           HG1      ARG   7   3.114  -5.864   3.132
   63    HD2  ARG   7           HD2      ARG   7   5.397  -4.539   4.624
   64    HD3  ARG   7           HD1      ARG   7   3.891  -5.083   5.360
   65    HE   ARG   7           HE       ARG   7   5.038  -7.242   3.956
   66   HH11  ARG   7          HH21      ARG   7   5.582  -5.208   6.701
   67   HH12  ARG   7          HH22      ARG   7   6.444  -6.413   7.597
   68   HH21  ARG   7          HH11      ARG   7   6.170  -8.829   5.124
   69   HH22  ARG   7          HH12      ARG   7   6.778  -8.463   6.703
   70    H    GLY   8           HN       GLY   8   5.149  -3.104  -0.229
   71    HA2  GLY   8           HA2      GLY   8   3.231  -1.229   0.743
   72    HA3  GLY   8           HA1      GLY   8   4.490  -0.904  -0.446
   73    H    ILE   9           HN       ILE   9   3.678  -2.922  -2.319
   74    HA   ILE   9           HA       ILE   9   1.811  -1.453  -3.864
   75    HB   ILE   9           HB       ILE   9   2.731  -4.329  -4.105
   76   HG12  ILE   9          HG12      ILE   9   3.530  -1.837  -5.648
   77   HG13  ILE   9          HG11      ILE   9   4.465  -2.519  -4.318
   78   HG21  ILE   9          HG21      ILE   9   1.908  -4.096  -6.473
   79   HG22  ILE   9          HG22      ILE   9   1.155  -2.569  -6.011
   80   HG23  ILE   9          HG23      ILE   9   0.614  -4.079  -5.280
   81   HD11  ILE   9          HD11      ILE   9   3.864  -3.780  -6.997
   82   HD12  ILE   9          HD12      ILE   9   4.465  -4.715  -5.630
   83   HD13  ILE   9          HD13      ILE   9   5.442  -3.410  -6.302
   84    H    VAL  10           HN       VAL  10   1.440  -4.554  -2.140
   85    HA   VAL  10           HA       VAL  10  -1.352  -4.782  -2.632
   86    HB   VAL  10           HB       VAL  10  -0.010  -6.732  -2.049
   87   HG11  VAL  10          HG11      VAL  10   1.515  -5.426  -0.503
   88   HG12  VAL  10          HG12      VAL  10   1.005  -6.996   0.115
   89   HG13  VAL  10          HG13      VAL  10   0.245  -5.524   0.715
   90   HG21  VAL  10          HG21      VAL  10  -2.472  -6.540  -1.391
   91   HG22  VAL  10          HG22      VAL  10  -1.912  -6.177   0.242
   92   HG23  VAL  10          HG23      VAL  10  -1.534  -7.734  -0.494
   93    H    HIS  11           HN       HIS  11   0.531  -3.498   0.085
   94    HA   HIS  11           HA       HIS  11  -1.675  -2.983   1.791
   95    HB2  HIS  11           HB2      HIS  11   0.685  -3.069   2.558
   96    HB3  HIS  11           HB1      HIS  11   0.999  -1.567   1.691
   97    HD2  HIS  11           HD2      HIS  11   0.618   0.630   3.309
   98    HE1  HIS  11           HE1      HIS  11  -2.102  -1.086   6.043
   99    HE2  HIS  11           HE2      HIS  11  -0.794   1.014   5.471
  100    H    ALA  12           HN       ALA  12   0.115  -0.909  -0.489
  101    HA   ALA  12           HA       ALA  12  -1.406   1.432  -0.010
  102    HB1  ALA  12           HB1      ALA  12   0.817   1.437  -1.104
  103    HB2  ALA  12           HB2      ALA  12  -0.398   2.269  -2.073
  104    HB3  ALA  12           HB3      ALA  12   0.111   0.638  -2.508
  105    H    GLY  13           HN       GLY  13  -1.976  -1.411  -1.898
  106    HA2  GLY  13           HA2      GLY  13  -4.011  -0.221  -3.586
  107    HA3  GLY  13           HA1      GLY  13  -3.599  -1.930  -3.492
  108    H    ARG  14           HN       ARG  14  -3.925  -2.377  -0.768
  109    HA   ARG  14           HA       ARG  14  -6.655  -2.923  -0.549
  110    HB2  ARG  14           HB2      ARG  14  -4.902  -4.037   0.798
  111    HB3  ARG  14           HB1      ARG  14  -4.678  -2.544   1.713
  112    HG2  ARG  14           HG2      ARG  14  -6.953  -2.633   2.535
  113    HG3  ARG  14           HG1      ARG  14  -7.324  -4.007   1.492
  114    HD2  ARG  14           HD2      ARG  14  -5.184  -4.064   3.634
  115    HD3  ARG  14           HD1      ARG  14  -6.835  -4.621   3.893
  116    HE   ARG  14           HE       ARG  14  -6.020  -5.988   1.665
  117   HH11  ARG  14          HH21      ARG  14  -4.787  -5.502   4.861
  118   HH12  ARG  14          HH22      ARG  14  -4.010  -7.048   4.945
  119   HH21  ARG  14          HH11      ARG  14  -5.003  -8.016   1.766
  120   HH22  ARG  14          HH12      ARG  14  -4.132  -8.471   3.193
  121    H    SER  15           HN       SER  15  -4.794  -0.120   0.489
  122    HA   SER  15           HA       SER  15  -6.745   1.108   2.110
  123    HB2  SER  15           HB2      SER  15  -4.617   2.418   0.401
  124    HB3  SER  15           HB1      SER  15  -5.487   3.180   1.729
  125    HG   SER  15           HG       SER  15  -4.272   0.739   2.259
  126    H    ILE  16           HN       ILE  16  -6.203   1.153  -1.360
  127    HA   ILE  16           HA       ILE  16  -7.969   3.238  -2.056
  128    HB   ILE  16           HB       ILE  16  -7.408   0.752  -3.691
  129   HG12  ILE  16          HG12      ILE  16  -5.274   1.682  -2.955
  130   HG13  ILE  16          HG11      ILE  16  -5.518   2.138  -4.641
  131   HG21  ILE  16          HG21      ILE  16  -8.230   3.588  -4.368
  132   HG22  ILE  16          HG22      ILE  16  -9.159   2.116  -4.648
  133   HG23  ILE  16          HG23      ILE  16  -7.687   2.418  -5.570
  134   HD11  ILE  16          HD11      ILE  16  -5.752   3.855  -2.176
  135   HD12  ILE  16          HD12      ILE  16  -6.589   4.307  -3.661
  136   HD13  ILE  16          HD13      ILE  16  -4.834   4.166  -3.647
  137    H    GLY  17           HN       GLY  17  -8.528  -0.235  -1.619
  138    HA2  GLY  17           HA2      GLY  17 -11.248  -0.227  -2.429
  139    HA3  GLY  17           HA1      GLY  17 -10.470  -1.461  -1.442
  140    H    ARG  18           HN       ARG  18  -9.651   0.317   0.677
  141    HA   ARG  18           HA       ARG  18 -11.935   0.198   2.325
  142    HB2  ARG  18           HB2      ARG  18  -9.337   1.717   2.626
  143    HB3  ARG  18           HB1      ARG  18 -10.557   1.598   3.896
  144    HG2  ARG  18           HG2      ARG  18 -10.386  -0.878   3.804
  145    HG3  ARG  18           HG1      ARG  18  -9.118  -0.727   2.588
  146    HD2  ARG  18           HD2      ARG  18  -8.097  -1.030   4.781
  147    HD3  ARG  18           HD1      ARG  18  -7.762   0.597   4.197
  148    HE   ARG  18           HE       ARG  18 -10.123   0.661   5.741
  149   HH11  ARG  18          HH21      ARG  18  -6.716   0.126   6.028
  150   HH12  ARG  18          HH22      ARG  18  -6.623   0.703   7.659
  151   HH21  ARG  18          HH11      ARG  18 -10.008   1.420   7.879
  152   HH22  ARG  18          HH12      ARG  18  -8.486   1.436   8.706
  153    H    PHE  19           HN       PHE  19 -10.444   2.883   0.541
  154    HA   PHE  19           HA       PHE  19 -12.108   4.933   1.564
  155    HB2  PHE  19           HB2      PHE  19 -10.459   4.666  -0.948
  156    HB3  PHE  19           HB1      PHE  19 -11.414   6.110  -0.616
  157    HD1  PHE  19           HD2      PHE  19 -11.141   7.020   1.906
  158    HD2  PHE  19           HD1      PHE  19  -8.240   4.671  -0.219
  159    HE1  PHE  19           HE2      PHE  19  -9.360   7.863   3.408
  160    HE2  PHE  19           HE1      PHE  19  -6.457   5.514   1.284
  161    HZ   PHE  19           HZ       PHE  19  -7.017   7.110   3.098
  162    H    LEU  20           HN       LEU  20 -12.472   2.643  -1.070
  163    HA   LEU  20           HA       LEU  20 -14.512   3.788  -2.534
  164    HB2  LEU  20           HB2      LEU  20 -13.247   1.401  -2.678
  165    HB3  LEU  20           HB1      LEU  20 -14.766   0.862  -1.967
  166    HG   LEU  20           HG       LEU  20 -14.953   0.746  -4.420
  167   HD11  LEU  20          HD11      LEU  20 -16.864   1.675  -2.906
  168   HD12  LEU  20          HD12      LEU  20 -17.010   1.878  -4.649
  169   HD13  LEU  20          HD13      LEU  20 -16.479   3.227  -3.652
  170   HD21  LEU  20          HD21      LEU  20 -14.781   3.664  -4.879
  171   HD22  LEU  20          HD22      LEU  20 -14.118   2.342  -5.838
  172   HD23  LEU  20          HD23      LEU  20 -13.244   2.932  -4.426
  173    H    THR  21           HN       THR  21 -14.699   2.092   0.552
  174    HA   THR  21           HA       THR  21 -17.410   1.656   0.810
  175    HB   THR  21           HB       THR  21 -15.506   1.143   2.474
  176    HG1  THR  21           HG1      THR  21 -17.159   1.634   4.258
  177   HG21  THR  21          HG21      THR  21 -14.960   2.753   4.113
  178   HG22  THR  21          HG22      THR  21 -16.343   3.767   3.702
  179   HG23  THR  21          HG23      THR  21 -14.964   3.676   2.611
  180    H    GLY  22           HN       GLY  22 -19.184   2.892   0.990
  181    HA2  GLY  22           HA2      GLY  22 -19.675   5.216   2.261
  182    HA3  GLY  22           HA1      GLY  22 -18.916   5.778   0.773
  183    HN1  NH2  23           HT1      GLY  22 -21.918   3.491  -0.592
  184    HN2  NH2  23           HT2      GLY  22 -20.389   2.903  -0.031
  Start of MODEL    7
    1    H1   PHE   1           HT1      PHE   1  15.656  -7.997  -1.775
    2    H2   PHE   1           HT2      PHE   1  14.420  -8.146  -2.931
    3    H3   PHE   1           HT3      PHE   1  14.098  -8.459  -1.292
    4    HA   PHE   1           HA       PHE   1  14.376  -6.187  -0.704
    5    HB2  PHE   1           HB2      PHE   1  15.116  -5.799  -3.623
    6    HB3  PHE   1           HB1      PHE   1  14.961  -4.515  -2.424
    7    HD1  PHE   1           HD2      PHE   1  16.468  -4.567  -0.371
    8    HD2  PHE   1           HD1      PHE   1  17.117  -7.063  -3.805
    9    HE1  PHE   1           HE2      PHE   1  18.808  -4.958   0.355
   10    HE2  PHE   1           HE1      PHE   1  19.456  -7.454  -3.079
   11    HZ   PHE   1           HZ       PHE   1  20.302  -6.400  -1.000
   12    H    ILE   2           HN       ILE   2  13.169  -7.147  -3.935
   13    HA   ILE   2           HA       ILE   2  10.967  -5.507  -4.117
   14    HB   ILE   2           HB       ILE   2   9.982  -7.280  -5.553
   15   HG12  ILE   2          HG12      ILE   2  12.378  -8.891  -4.614
   16   HG13  ILE   2          HG11      ILE   2  10.702  -9.215  -4.175
   17   HG21  ILE   2          HG21      ILE   2  12.964  -7.028  -6.009
   18   HG22  ILE   2          HG22      ILE   2  11.833  -5.708  -6.303
   19   HG23  ILE   2          HG23      ILE   2  11.699  -7.205  -7.223
   20   HD11  ILE   2          HD11      ILE   2  11.011 -10.674  -5.971
   21   HD12  ILE   2          HD12      ILE   2  12.054  -9.546  -6.836
   22   HD13  ILE   2          HD13      ILE   2  10.313  -9.269  -6.776
   23    H    HIS   3           HN       HIS   3  11.367  -8.439  -2.223
   24    HA   HIS   3           HA       HIS   3   8.757  -9.092  -1.595
   25    HB2  HIS   3           HB2      HIS   3  11.213  -9.118   0.169
   26    HB3  HIS   3           HB1      HIS   3   9.681  -9.868   0.617
   27    HD2  HIS   3           HD2      HIS   3  12.793 -10.670  -1.522
   28    HE1  HIS   3           HE1      HIS   3   9.911 -13.621  -2.419
   29    HE2  HIS   3           HE2      HIS   3  12.343 -12.954  -2.707
   30    H    HIS   4           HN       HIS   4  10.815  -6.645  -0.012
   31    HA   HIS   4           HA       HIS   4   8.798  -5.818   1.845
   32    HB2  HIS   4           HB2      HIS   4  11.197  -5.445   2.258
   33    HB3  HIS   4           HB1      HIS   4  11.263  -4.344   0.881
   34    HD2  HIS   4           HD2      HIS   4   9.694  -4.434   4.509
   35    HE1  HIS   4           HE1      HIS   4   9.479  -0.479   3.049
   36    HE2  HIS   4           HE2      HIS   4   9.096  -1.956   5.078
   37    H    ILE   5           HN       ILE   5  10.031  -4.505  -1.190
   38    HA   ILE   5           HA       ILE   5   8.379  -2.233  -1.350
   39    HB   ILE   5           HB       ILE   5   9.373  -3.825  -3.719
   40   HG12  ILE   5          HG12      ILE   5  11.270  -3.529  -2.240
   41   HG13  ILE   5          HG11      ILE   5  11.409  -2.345  -3.536
   42   HG21  ILE   5          HG21      ILE   5   7.789  -1.915  -4.095
   43   HG22  ILE   5          HG22      ILE   5   9.375  -1.656  -4.820
   44   HG23  ILE   5          HG23      ILE   5   8.954  -0.850  -3.309
   45   HD11  ILE   5          HD11      ILE   5  10.159  -0.739  -1.910
   46   HD12  ILE   5          HD12      ILE   5  11.860  -1.081  -1.601
   47   HD13  ILE   5          HD13      ILE   5  10.616  -1.904  -0.665
   48    H    PHE   6           HN       PHE   6   7.831  -5.569  -2.224
   49    HA   PHE   6           HA       PHE   6   5.477  -5.222  -3.772
   50    HB2  PHE   6           HB2      PHE   6   6.833  -7.320  -3.707
   51    HB3  PHE   6           HB1      PHE   6   6.228  -7.617  -2.076
   52    HD1  PHE   6           HD2      PHE   6   5.198  -7.155  -5.623
   53    HD2  PHE   6           HD1      PHE   6   4.040  -8.497  -1.710
   54    HE1  PHE   6           HE2      PHE   6   3.135  -8.149  -6.575
   55    HE2  PHE   6           HE1      PHE   6   1.976  -9.491  -2.661
   56    HZ   PHE   6           HZ       PHE   6   1.524  -9.317  -5.094
   57    H    ARG   7           HN       ARG   7   6.063  -5.746  -0.344
   58    HA   ARG   7           HA       ARG   7   3.438  -6.082   0.544
   59    HB2  ARG   7           HB2      ARG   7   5.451  -6.393   1.974
   60    HB3  ARG   7           HB1      ARG   7   5.660  -4.641   2.013
   61    HG2  ARG   7           HG2      ARG   7   3.427  -4.389   3.034
   62    HG3  ARG   7           HG1      ARG   7   3.211  -6.139   2.991
   63    HD2  ARG   7           HD2      ARG   7   5.267  -6.363   4.410
   64    HD3  ARG   7           HD1      ARG   7   5.309  -4.608   4.550
   65    HE   ARG   7           HE       ARG   7   3.428  -6.410   5.851
   66   HH11  ARG   7          HH21      ARG   7   4.217  -3.190   4.857
   67   HH12  ARG   7          HH22      ARG   7   3.178  -2.430   6.017
   68   HH21  ARG   7          HH11      ARG   7   2.064  -5.422   7.373
   69   HH22  ARG   7          HH12      ARG   7   1.958  -3.694   7.440
   70    H    GLY   8           HN       GLY   8   5.207  -3.154  -0.280
   71    HA2  GLY   8           HA2      GLY   8   3.335  -1.297   0.799
   72    HA3  GLY   8           HA1      GLY   8   4.563  -0.948  -0.413
   73    H    ILE   9           HN       ILE   9   3.643  -2.943  -2.292
   74    HA   ILE   9           HA       ILE   9   1.796  -1.386  -3.776
   75    HB   ILE   9           HB       ILE   9   2.378  -4.338  -4.117
   76   HG12  ILE   9          HG12      ILE   9   4.474  -3.104  -4.057
   77   HG13  ILE   9          HG11      ILE   9   4.124  -3.546  -5.725
   78   HG21  ILE   9          HG21      ILE   9   1.418  -2.191  -6.031
   79   HG22  ILE   9          HG22      ILE   9   0.465  -3.546  -5.426
   80   HG23  ILE   9          HG23      ILE   9   1.838  -3.839  -6.494
   81   HD11  ILE   9          HD11      ILE   9   3.989  -0.847  -4.413
   82   HD12  ILE   9          HD12      ILE   9   2.994  -1.171  -5.832
   83   HD13  ILE   9          HD13      ILE   9   4.748  -1.303  -5.935
   84    H    VAL  10           HN       VAL  10   1.331  -4.462  -2.031
   85    HA   VAL  10           HA       VAL  10  -1.472  -4.569  -2.465
   86    HB   VAL  10           HB       VAL  10  -0.274  -6.587  -1.900
   87   HG11  VAL  10          HG11      VAL  10   0.287  -5.322   0.795
   88   HG12  VAL  10          HG12      VAL  10   1.463  -5.429  -0.513
   89   HG13  VAL  10          HG13      VAL  10   0.835  -6.898   0.229
   90   HG21  VAL  10          HG21      VAL  10  -1.752  -7.471  -0.246
   91   HG22  VAL  10          HG22      VAL  10  -2.666  -6.201  -1.057
   92   HG23  VAL  10          HG23      VAL  10  -1.949  -5.897   0.525
   93    H    HIS  11           HN       HIS  11   0.494  -3.336   0.215
   94    HA   HIS  11           HA       HIS  11  -1.693  -2.693   1.917
   95    HB2  HIS  11           HB2      HIS  11   1.212  -1.950   1.789
   96    HB3  HIS  11           HB1      HIS  11   0.154  -1.046   2.869
   97    HD2  HIS  11           HD2      HIS  11  -0.542  -2.397   5.215
   98    HE1  HIS  11           HE1      HIS  11   1.188  -6.118   4.224
   99    HE2  HIS  11           HE2      HIS  11   0.055  -4.791   6.068
  100    H    ALA  12           HN       ALA  12   0.190  -0.776  -0.420
  101    HA   ALA  12           HA       ALA  12  -1.120   1.688   0.061
  102    HB1  ALA  12           HB1      ALA  12   1.040   1.511  -1.116
  103    HB2  ALA  12           HB2      ALA  12  -0.154   2.381  -2.080
  104    HB3  ALA  12           HB3      ALA  12   0.234   0.703  -2.460
  105    H    GLY  13           HN       GLY  13  -1.995  -1.131  -1.748
  106    HA2  GLY  13           HA2      GLY  13  -4.010   0.193  -3.365
  107    HA3  GLY  13           HA1      GLY  13  -3.718  -1.541  -3.274
  108    H    ARG  14           HN       ARG  14  -3.876  -1.752  -0.449
  109    HA   ARG  14           HA       ARG  14  -6.577  -2.306  -0.061
  110    HB2  ARG  14           HB2      ARG  14  -4.735  -3.214   1.350
  111    HB3  ARG  14           HB1      ARG  14  -4.567  -1.627   2.101
  112    HG2  ARG  14           HG2      ARG  14  -6.924  -1.747   2.862
  113    HG3  ARG  14           HG1      ARG  14  -7.068  -3.345   2.133
  114    HD2  ARG  14           HD2      ARG  14  -5.064  -2.613   4.285
  115    HD3  ARG  14           HD1      ARG  14  -6.599  -3.424   4.586
  116    HE   ARG  14           HE       ARG  14  -4.217  -4.603   3.407
  117   HH11  ARG  14          HH21      ARG  14  -7.642  -4.757   3.871
  118   HH12  ARG  14          HH22      ARG  14  -7.743  -6.463   3.590
  119   HH21  ARG  14          HH11      ARG  14  -4.340  -6.839   3.037
  120   HH22  ARG  14          HH12      ARG  14  -5.873  -7.642   3.118
  121    H    SER  15           HN       SER  15  -4.783   0.657   0.537
  122    HA   SER  15           HA       SER  15  -6.691   2.011   2.112
  123    HB2  SER  15           HB2      SER  15  -4.626   3.050   0.165
  124    HB3  SER  15           HB1      SER  15  -5.570   4.082   1.236
  125    HG   SER  15           HG       SER  15  -4.746   2.578   2.939
  126    H    ILE  16           HN       ILE  16  -6.242   1.861  -1.402
  127    HA   ILE  16           HA       ILE  16  -8.337   3.652  -2.078
  128    HB   ILE  16           HB       ILE  16  -7.020   1.428  -3.647
  129   HG12  ILE  16          HG12      ILE  16  -6.028   3.399  -4.854
  130   HG13  ILE  16          HG11      ILE  16  -6.791   4.455  -3.669
  131   HG21  ILE  16          HG21      ILE  16  -9.168   3.402  -4.440
  132   HG22  ILE  16          HG22      ILE  16  -9.148   1.653  -4.671
  133   HG23  ILE  16          HG23      ILE  16  -8.083   2.680  -5.630
  134   HD11  ILE  16          HD11      ILE  16  -5.045   2.205  -2.714
  135   HD12  ILE  16          HD12      ILE  16  -5.398   3.752  -1.941
  136   HD13  ILE  16          HD13      ILE  16  -4.301   3.681  -3.319
  137    H    GLY  17           HN       GLY  17  -8.235   0.122  -1.740
  138    HA2  GLY  17           HA2      GLY  17 -10.920  -0.353  -2.538
  139    HA3  GLY  17           HA1      GLY  17  -9.909  -1.453  -1.605
  140    H    ARG  18           HN       ARG  18  -9.410   0.425   0.547
  141    HA   ARG  18           HA       ARG  18 -11.530  -0.215   2.265
  142    HB2  ARG  18           HB2      ARG  18  -9.234   0.376   3.019
  143    HB3  ARG  18           HB1      ARG  18  -9.541   2.050   2.554
  144    HG2  ARG  18           HG2      ARG  18 -11.427   2.154   4.145
  145    HG3  ARG  18           HG1      ARG  18 -11.135   0.476   4.601
  146    HD2  ARG  18           HD2      ARG  18  -9.079   2.684   4.870
  147    HD3  ARG  18           HD1      ARG  18 -10.130   2.154   6.181
  148    HE   ARG  18           HE       ARG  18  -8.827  -0.111   5.145
  149   HH11  ARG  18          HH21      ARG  18  -8.139   2.851   6.797
  150   HH12  ARG  18          HH22      ARG  18  -6.752   2.226   7.627
  151   HH21  ARG  18          HH11      ARG  18  -7.010  -0.937   6.229
  152   HH22  ARG  18          HH12      ARG  18  -6.113   0.081   7.304
  153    H    PHE  19           HN       PHE  19 -10.854   2.769   0.442
  154    HA   PHE  19           HA       PHE  19 -12.991   4.282   1.547
  155    HB2  PHE  19           HB2      PHE  19 -11.413   4.533  -1.016
  156    HB3  PHE  19           HB1      PHE  19 -12.663   5.686  -0.546
  157    HD1  PHE  19           HD1      PHE  19 -12.481   6.522   1.985
  158    HD2  PHE  19           HD2      PHE  19  -9.214   4.996  -0.350
  159    HE1  PHE  19           HE1      PHE  19 -10.874   7.688   3.470
  160    HE2  PHE  19           HE2      PHE  19  -7.607   6.162   1.135
  161    HZ   PHE  19           HZ       PHE  19  -8.436   7.508   3.046
  162    H    LEU  20           HN       LEU  20 -12.725   2.092  -1.206
  163    HA   LEU  20           HA       LEU  20 -15.110   2.681  -2.514
  164    HB2  LEU  20           HB2      LEU  20 -13.411   1.146  -3.428
  165    HB3  LEU  20           HB1      LEU  20 -13.805  -0.035  -2.182
  166    HG   LEU  20           HG       LEU  20 -16.120  -0.174  -3.050
  167   HD11  LEU  20          HD11      LEU  20 -16.665   1.859  -4.039
  168   HD12  LEU  20          HD12      LEU  20 -16.332   0.889  -5.467
  169   HD13  LEU  20          HD13      LEU  20 -15.109   2.004  -4.860
  170   HD21  LEU  20          HD21      LEU  20 -14.412  -1.719  -3.915
  171   HD22  LEU  20          HD22      LEU  20 -13.981  -0.556  -5.169
  172   HD23  LEU  20          HD23      LEU  20 -15.575  -1.310  -5.175
  173    H    THR  21           HN       THR  21 -14.517   0.769   0.384
  174    HA   THR  21           HA       THR  21 -16.918  -0.597   0.630
  175    HB   THR  21           HB       THR  21 -15.475   0.732   2.930
  176    HG1  THR  21           HG1      THR  21 -14.928  -1.712   1.600
  177   HG21  THR  21          HG21      THR  21 -17.683  -0.414   3.334
  178   HG22  THR  21          HG22      THR  21 -16.328  -1.126   4.210
  179   HG23  THR  21          HG23      THR  21 -16.946  -1.908   2.756
  180    H    GLY  22           HN       GLY  22 -18.960  -0.087   1.219
  181    HA2  GLY  22           HA2      GLY  22 -20.809   1.180   1.757
  182    HA3  GLY  22           HA1      GLY  22 -19.717   2.302   2.562
  183    HN1  NH2  23           HT1      GLY  22 -19.284   3.292  -1.303
  184    HN2  NH2  23           HT2      GLY  22 -18.501   1.961  -0.520
  Start of MODEL    8
    1    H1   PHE   1           HT1      PHE   1  15.194  -8.199  -2.812
    2    H2   PHE   1           HT2      PHE   1  13.998  -8.875  -1.811
    3    H3   PHE   1           HT3      PHE   1  15.592  -8.709  -1.245
    4    HA   PHE   1           HA       PHE   1  14.535  -6.946  -0.231
    5    HB2  PHE   1           HB2      PHE   1  16.553  -6.264  -1.537
    6    HB3  PHE   1           HB1      PHE   1  15.495  -5.832  -2.881
    7    HD1  PHE   1           HD2      PHE   1  16.315  -5.068   0.666
    8    HD2  PHE   1           HD1      PHE   1  14.251  -3.793  -2.879
    9    HE1  PHE   1           HE2      PHE   1  15.898  -2.856   1.705
   10    HE2  PHE   1           HE1      PHE   1  13.833  -1.580  -1.839
   11    HZ   PHE   1           HZ       PHE   1  14.656  -1.112   0.453
   12    H    ILE   2           HN       ILE   2  13.452  -7.392  -3.565
   13    HA   ILE   2           HA       ILE   2  11.461  -5.497  -3.759
   14    HB   ILE   2           HB       ILE   2  10.330  -7.108  -5.308
   15   HG12  ILE   2          HG12      ILE   2  12.601  -8.951  -4.498
   16   HG13  ILE   2          HG11      ILE   2  10.930  -9.149  -3.971
   17   HG21  ILE   2          HG21      ILE   2  12.222  -5.653  -6.028
   18   HG22  ILE   2          HG22      ILE   2  12.170  -7.177  -6.916
   19   HG23  ILE   2          HG23      ILE   2  13.344  -6.952  -5.619
   20   HD11  ILE   2          HD11      ILE   2  11.969  -9.260  -6.811
   21   HD12  ILE   2          HD12      ILE   2  10.255  -9.215  -6.401
   22   HD13  ILE   2          HD13      ILE   2  11.249 -10.577  -5.886
   23    H    HIS   3           HN       HIS   3  11.477  -8.482  -1.950
   24    HA   HIS   3           HA       HIS   3   8.822  -9.010  -1.502
   25    HB2  HIS   3           HB2      HIS   3   9.459 -10.031   0.579
   26    HB3  HIS   3           HB1      HIS   3  10.812 -10.250  -0.532
   27    HD2  HIS   3           HD2      HIS   3  10.976  -9.764   2.939
   28    HE1  HIS   3           HE1      HIS   3  13.297  -6.474   1.674
   29    HE2  HIS   3           HE2      HIS   3  12.709  -7.948   3.655
   30    H    HIS   4           HN       HIS   4  10.773  -6.462   0.009
   31    HA   HIS   4           HA       HIS   4   8.704  -5.558   1.778
   32    HB2  HIS   4           HB2      HIS   4  11.414  -4.601   0.950
   33    HB3  HIS   4           HB1      HIS   4  10.314  -3.405   1.635
   34    HD2  HIS   4           HD2      HIS   4   9.981  -6.971   3.134
   35    HE1  HIS   4           HE1      HIS   4  12.130  -4.646   5.923
   36    HE2  HIS   4           HE2      HIS   4  10.959  -6.868   5.552
   37    H    ILE   5           HN       ILE   5   9.941  -4.452  -1.356
   38    HA   ILE   5           HA       ILE   5   8.223  -2.223  -1.634
   39    HB   ILE   5           HB       ILE   5   9.437  -3.925  -3.823
   40   HG12  ILE   5          HG12      ILE   5  10.511  -1.406  -2.512
   41   HG13  ILE   5          HG11      ILE   5  11.065  -3.033  -2.115
   42   HG21  ILE   5          HG21      ILE   5   8.368  -1.086  -3.757
   43   HG22  ILE   5          HG22      ILE   5   7.710  -2.441  -4.677
   44   HG23  ILE   5          HG23      ILE   5   9.285  -1.769  -5.101
   45   HD11  ILE   5          HD11      ILE   5  11.327  -1.571  -4.747
   46   HD12  ILE   5          HD12      ILE   5  11.538  -3.316  -4.621
   47   HD13  ILE   5          HD13      ILE   5  12.613  -2.233  -3.739
   48    H    PHE   6           HN       PHE   6   7.828  -5.633  -2.380
   49    HA   PHE   6           HA       PHE   6   5.472  -5.404  -3.948
   50    HB2  PHE   6           HB2      PHE   6   6.832  -7.438  -3.963
   51    HB3  PHE   6           HB1      PHE   6   6.468  -7.711  -2.259
   52    HD1  PHE   6           HD1      PHE   6   4.862  -7.325  -5.613
   53    HD2  PHE   6           HD2      PHE   6   4.505  -8.855  -1.615
   54    HE1  PHE   6           HE1      PHE   6   2.769  -8.493  -6.247
   55    HE2  PHE   6           HE2      PHE   6   2.412 -10.023  -2.249
   56    HZ   PHE   6           HZ       PHE   6   1.544  -9.842  -4.565
   57    H    ARG   7           HN       ARG   7   6.045  -5.821  -0.492
   58    HA   ARG   7           HA       ARG   7   3.396  -6.278   0.324
   59    HB2  ARG   7           HB2      ARG   7   5.381  -6.561   1.789
   60    HB3  ARG   7           HB1      ARG   7   5.558  -4.807   1.849
   61    HG2  ARG   7           HG2      ARG   7   3.322  -4.595   2.845
   62    HG3  ARG   7           HG1      ARG   7   3.103  -6.342   2.751
   63    HD2  ARG   7           HD2      ARG   7   3.797  -5.755   5.008
   64    HD3  ARG   7           HD1      ARG   7   5.102  -6.634   4.214
   65    HE   ARG   7           HE       ARG   7   5.429  -3.832   3.836
   66   HH11  ARG   7          HH21      ARG   7   5.653  -6.356   6.193
   67   HH12  ARG   7          HH22      ARG   7   6.877  -5.565   7.127
   68   HH21  ARG   7          HH11      ARG   7   7.034  -2.787   5.057
   69   HH22  ARG   7          HH12      ARG   7   7.659  -3.544   6.485
   70    H    GLY   8           HN       GLY   8   5.144  -3.290  -0.357
   71    HA2  GLY   8           HA2      GLY   8   3.256  -1.471   0.696
   72    HA3  GLY   8           HA1      GLY   8   4.445  -1.107  -0.553
   73    H    ILE   9           HN       ILE   9   3.498  -3.130  -2.390
   74    HA   ILE   9           HA       ILE   9   1.582  -1.616  -3.827
   75    HB   ILE   9           HB       ILE   9   2.262  -4.548  -4.146
   76   HG12  ILE   9          HG12      ILE   9   3.452  -2.110  -5.512
   77   HG13  ILE   9          HG11      ILE   9   4.236  -3.003  -4.210
   78   HG21  ILE   9          HG21      ILE   9   1.532  -4.149  -6.490
   79   HG22  ILE   9          HG22      ILE   9   1.069  -2.506  -6.049
   80   HG23  ILE   9          HG23      ILE   9   0.222  -3.881  -5.343
   81   HD11  ILE   9          HD11      ILE   9   5.155  -3.929  -6.193
   82   HD12  ILE   9          HD12      ILE   9   3.587  -3.958  -6.998
   83   HD13  ILE   9          HD13      ILE   9   3.927  -5.092  -5.692
   84    H    VAL  10           HN       VAL  10   1.261  -4.625  -1.951
   85    HA   VAL  10           HA       VAL  10  -1.540  -4.897  -2.336
   86    HB   VAL  10           HB       VAL  10   0.267  -5.961  -0.151
   87   HG11  VAL  10          HG11      VAL  10  -2.615  -6.542  -0.870
   88   HG12  VAL  10          HG12      VAL  10  -1.977  -6.026   0.691
   89   HG13  VAL  10          HG13      VAL  10  -1.630  -7.647   0.090
   90   HG21  VAL  10          HG21      VAL  10   0.260  -8.002  -1.469
   91   HG22  VAL  10          HG22      VAL  10   0.753  -6.670  -2.515
   92   HG23  VAL  10          HG23      VAL  10  -0.889  -7.306  -2.612
   93    H    HIS  11           HN       HIS  11   0.396  -3.487   0.295
   94    HA   HIS  11           HA       HIS  11  -1.748  -2.821   1.994
   95    HB2  HIS  11           HB2      HIS  11   0.616  -2.810   2.705
   96    HB3  HIS  11           HB1      HIS  11   0.910  -1.407   1.678
   97    HD2  HIS  11           HD2      HIS  11  -0.091   1.043   2.692
   98    HE1  HIS  11           HE1      HIS  11  -1.564  -0.529   6.322
   99    HE2  HIS  11           HE2      HIS  11  -1.090   1.609   5.037
  100    H    ALA  12           HN       ALA  12  -0.063  -0.886  -0.482
  101    HA   ALA  12           HA       ALA  12  -1.571   1.470  -0.142
  102    HB1  ALA  12           HB1      ALA  12  -0.394   0.558  -2.764
  103    HB2  ALA  12           HB2      ALA  12   0.611   1.156  -1.443
  104    HB3  ALA  12           HB3      ALA  12  -0.602   2.208  -2.175
  105    H    GLY  13           HN       GLY  13  -2.254  -1.521  -1.761
  106    HA2  GLY  13           HA2      GLY  13  -4.390  -0.496  -3.409
  107    HA3  GLY  13           HA1      GLY  13  -4.006  -2.192  -3.132
  108    H    ARG  14           HN       ARG  14  -4.167  -2.302  -0.364
  109    HA   ARG  14           HA       ARG  14  -6.926  -2.673   0.062
  110    HB2  ARG  14           HB2      ARG  14  -4.607  -2.457   1.985
  111    HB3  ARG  14           HB1      ARG  14  -6.250  -2.838   2.502
  112    HG2  ARG  14           HG2      ARG  14  -6.288  -4.805   1.057
  113    HG3  ARG  14           HG1      ARG  14  -4.691  -4.404   0.422
  114    HD2  ARG  14           HD2      ARG  14  -4.455  -6.113   2.140
  115    HD3  ARG  14           HD1      ARG  14  -3.765  -4.604   2.727
  116    HE   ARG  14           HE       ARG  14  -6.491  -4.793   3.505
  117   HH11  ARG  14          HH21      ARG  14  -3.343  -6.088   4.122
  118   HH12  ARG  14          HH22      ARG  14  -3.677  -6.481   5.776
  119   HH21  ARG  14          HH11      ARG  14  -6.938  -5.304   5.673
  120   HH22  ARG  14          HH12      ARG  14  -5.711  -6.036   6.654
  121    H    SER  15           HN       SER  15  -4.762  -0.001   0.899
  122    HA   SER  15           HA       SER  15  -6.585   1.474   2.477
  123    HB2  SER  15           HB2      SER  15  -4.307   2.108   2.612
  124    HB3  SER  15           HB1      SER  15  -4.159   2.250   0.864
  125    HG   SER  15           HG       SER  15  -5.240   3.998   2.732
  126    H    ILE  16           HN       ILE  16  -5.834   1.575  -0.986
  127    HA   ILE  16           HA       ILE  16  -7.570   3.713  -1.646
  128    HB   ILE  16           HB       ILE  16  -6.515   1.418  -3.310
  129   HG12  ILE  16          HG12      ILE  16  -5.752   4.349  -3.318
  130   HG13  ILE  16          HG11      ILE  16  -4.927   3.156  -2.316
  131   HG21  ILE  16          HG21      ILE  16  -7.139   3.024  -5.225
  132   HG22  ILE  16          HG22      ILE  16  -8.167   3.841  -4.048
  133   HG23  ILE  16          HG23      ILE  16  -8.467   2.152  -4.457
  134   HD11  ILE  16          HD11      ILE  16  -3.811   3.569  -4.537
  135   HD12  ILE  16          HD12      ILE  16  -5.243   2.899  -5.318
  136   HD13  ILE  16          HD13      ILE  16  -4.259   1.885  -4.262
  137    H    GLY  17           HN       GLY  17  -8.042   0.196  -1.623
  138    HA2  GLY  17           HA2      GLY  17 -10.678   0.210  -2.657
  139    HA3  GLY  17           HA1      GLY  17  -9.941  -1.103  -1.744
  140    H    ARG  18           HN       ARG  18  -9.368   0.572   0.570
  141    HA   ARG  18           HA       ARG  18 -11.633   0.093   2.121
  142    HB2  ARG  18           HB2      ARG  18  -9.291   0.572   2.947
  143    HB3  ARG  18           HB1      ARG  18  -9.618   2.281   2.659
  144    HG2  ARG  18           HG2      ARG  18 -11.533   2.197   4.189
  145    HG3  ARG  18           HG1      ARG  18 -11.270   0.471   4.447
  146    HD2  ARG  18           HD2      ARG  18  -9.335   2.695   5.152
  147    HD3  ARG  18           HD1      ARG  18 -10.290   1.754   6.292
  148    HE   ARG  18           HE       ARG  18  -7.886   0.883   4.908
  149   HH11  ARG  18          HH21      ARG  18 -10.763   0.015   6.624
  150   HH12  ARG  18          HH22      ARG  18 -10.165  -1.533   7.120
  151   HH21  ARG  18          HH11      ARG  18  -7.095  -1.145   5.556
  152   HH22  ARG  18          HH12      ARG  18  -8.089  -2.191   6.516
  153    H    PHE  19           HN       PHE  19 -10.678   3.023   0.364
  154    HA   PHE  19           HA       PHE  19 -12.700   4.720   1.388
  155    HB2  PHE  19           HB2      PHE  19 -11.043   4.772  -1.132
  156    HB3  PHE  19           HB1      PHE  19 -12.243   6.015  -0.779
  157    HD1  PHE  19           HD1      PHE  19 -12.057   7.326   1.385
  158    HD2  PHE  19           HD2      PHE  19  -8.920   4.776  -0.060
  159    HE1  PHE  19           HE1      PHE  19 -10.442   8.465   2.882
  160    HE2  PHE  19           HE2      PHE  19  -7.303   5.914   1.438
  161    HZ   PHE  19           HZ       PHE  19  -8.065   7.760   2.909
  162    H    LEU  20           HN       LEU  20 -12.614   2.454  -1.316
  163    HA   LEU  20           HA       LEU  20 -14.940   3.224  -2.667
  164    HB2  LEU  20           HB2      LEU  20 -13.865   0.417  -2.304
  165    HB3  LEU  20           HB1      LEU  20 -14.978   0.940  -3.562
  166    HG   LEU  20           HG       LEU  20 -12.165   2.007  -3.172
  167   HD11  LEU  20          HD11      LEU  20 -13.224   0.356  -5.477
  168   HD12  LEU  20          HD12      LEU  20 -12.466  -0.386  -4.070
  169   HD13  LEU  20          HD13      LEU  20 -11.545   0.726  -5.085
  170   HD21  LEU  20          HD21      LEU  20 -12.795   2.871  -5.611
  171   HD22  LEU  20          HD22      LEU  20 -13.289   3.789  -4.191
  172   HD23  LEU  20          HD23      LEU  20 -14.443   2.730  -5.003
  173    H    THR  21           HN       THR  21 -14.506   1.304   0.246
  174    HA   THR  21           HA       THR  21 -17.016   0.126   0.471
  175    HB   THR  21           HB       THR  21 -15.449   1.293   2.778
  176    HG1  THR  21           HG1      THR  21 -15.101  -1.335   1.988
  177   HG21  THR  21          HG21      THR  21 -17.196  -1.174   2.559
  178   HG22  THR  21          HG22      THR  21 -17.728   0.369   3.227
  179   HG23  THR  21          HG23      THR  21 -16.445  -0.541   4.025
  180    H    GLY  22           HN       GLY  22 -19.009   0.820   1.023
  181    HA2  GLY  22           HA2      GLY  22 -20.706   2.230   1.736
  182    HA3  GLY  22           HA1      GLY  22 -19.478   3.343   2.337
  183    HN1  NH2  23           HT1      GLY  22 -19.338   3.947  -1.630
  184    HN2  NH2  23           HT2      GLY  22 -18.571   2.640  -0.791
  Start of MODEL    9
    1    H1   PHE   1           HT1      PHE   1  15.052  -7.894  -2.735
    2    H2   PHE   1           HT2      PHE   1  13.687  -8.160  -1.760
    3    H3   PHE   1           HT3      PHE   1  15.191  -7.817  -1.046
    4    HA   PHE   1           HA       PHE   1  14.424  -5.732  -0.922
    5    HB2  PHE   1           HB2      PHE   1  15.183  -6.056  -3.831
    6    HB3  PHE   1           HB1      PHE   1  14.785  -4.486  -3.133
    7    HD1  PHE   1           HD2      PHE   1  16.165  -3.548  -1.285
    8    HD2  PHE   1           HD1      PHE   1  17.260  -7.168  -3.324
    9    HE1  PHE   1           HE2      PHE   1  18.461  -3.371  -0.366
   10    HE2  PHE   1           HE1      PHE   1  19.556  -6.990  -2.405
   11    HZ   PHE   1           HZ       PHE   1  20.157  -5.093  -0.926
   12    H    ILE   2           HN       ILE   2  13.055  -7.052  -3.954
   13    HA   ILE   2           HA       ILE   2  10.850  -5.407  -4.192
   14    HB   ILE   2           HB       ILE   2  11.080  -8.354  -4.859
   15   HG12  ILE   2          HG12      ILE   2  11.335  -5.919  -6.649
   16   HG13  ILE   2          HG11      ILE   2  12.721  -6.721  -5.909
   17   HG21  ILE   2          HG21      ILE   2   9.056  -6.246  -5.665
   18   HG22  ILE   2          HG22      ILE   2   8.736  -7.757  -4.814
   19   HG23  ILE   2          HG23      ILE   2   9.243  -7.787  -6.500
   20   HD11  ILE   2          HD11      ILE   2  12.277  -8.766  -7.073
   21   HD12  ILE   2          HD12      ILE   2  12.154  -7.480  -8.274
   22   HD13  ILE   2          HD13      ILE   2  10.693  -8.200  -7.599
   23    H    HIS   3           HN       HIS   3  11.321  -8.190  -2.092
   24    HA   HIS   3           HA       HIS   3   8.733  -8.762  -1.307
   25    HB2  HIS   3           HB2      HIS   3  11.279  -8.713   0.321
   26    HB3  HIS   3           HB1      HIS   3   9.761  -9.391   0.910
   27    HD2  HIS   3           HD2      HIS   3   9.233 -11.974   0.005
   28    HE1  HIS   3           HE1      HIS   3  12.328 -12.199  -2.856
   29    HE2  HIS   3           HE2      HIS   3  10.494 -13.510  -1.688
   30    H    HIS   4           HN       HIS   4  10.911  -6.298   0.092
   31    HA   HIS   4           HA       HIS   4   8.947  -5.300   1.923
   32    HB2  HIS   4           HB2      HIS   4  11.569  -4.191   0.913
   33    HB3  HIS   4           HB1      HIS   4  10.569  -3.354   2.101
   34    HD2  HIS   4           HD2      HIS   4  10.118  -5.000   4.535
   35    HE1  HIS   4           HE1      HIS   4  13.631  -7.258   3.908
   36    HE2  HIS   4           HE2      HIS   4  11.825  -6.671   5.594
   37    H    ILE   5           HN       ILE   5  10.285  -4.032  -1.113
   38    HA   ILE   5           HA       ILE   5   8.690  -1.745  -1.323
   39    HB   ILE   5           HB       ILE   5   9.718  -3.437  -3.615
   40   HG12  ILE   5          HG12      ILE   5  11.065  -1.108  -2.215
   41   HG13  ILE   5          HG11      ILE   5  11.448  -2.797  -1.881
   42   HG21  ILE   5          HG21      ILE   5   9.689  -1.305  -4.841
   43   HG22  ILE   5          HG22      ILE   5   9.080  -0.475  -3.409
   44   HG23  ILE   5          HG23      ILE   5   8.077  -1.671  -4.229
   45   HD11  ILE   5          HD11      ILE   5  12.985  -1.731  -3.564
   46   HD12  ILE   5          HD12      ILE   5  11.599  -1.543  -4.637
   47   HD13  ILE   5          HD13      ILE   5  12.143  -3.155  -4.176
   48    H    PHE   6           HN       PHE   6   8.018  -5.080  -2.122
   49    HA   PHE   6           HA       PHE   6   5.663  -4.624  -3.670
   50    HB2  PHE   6           HB2      PHE   6   6.865  -6.737  -3.831
   51    HB3  PHE   6           HB1      PHE   6   6.553  -7.073  -2.128
   52    HD1  PHE   6           HD2      PHE   6   4.909  -6.534  -5.428
   53    HD2  PHE   6           HD1      PHE   6   4.479  -7.999  -1.412
   54    HE1  PHE   6           HE2      PHE   6   2.718  -7.532  -6.026
   55    HE2  PHE   6           HE1      PHE   6   2.289  -8.997  -2.011
   56    HZ   PHE   6           HZ       PHE   6   1.409  -8.764  -4.318
   57    H    ARG   7           HN       ARG   7   6.312  -5.067  -0.258
   58    HA   ARG   7           HA       ARG   7   3.792  -5.582   0.753
   59    HB2  ARG   7           HB2      ARG   7   5.858  -5.479   2.124
   60    HB3  ARG   7           HB1      ARG   7   5.838  -3.721   1.980
   61    HG2  ARG   7           HG2      ARG   7   3.653  -3.625   3.082
   62    HG3  ARG   7           HG1      ARG   7   3.604  -5.385   3.176
   63    HD2  ARG   7           HD2      ARG   7   5.628  -5.365   4.585
   64    HD3  ARG   7           HD1      ARG   7   5.679  -3.608   4.491
   65    HE   ARG   7           HE       ARG   7   3.145  -4.405   5.458
   66   HH11  ARG   7          HH21      ARG   7   6.492  -4.321   6.335
   67   HH12  ARG   7          HH22      ARG   7   6.186  -4.191   8.035
   68   HH21  ARG   7          HH11      ARG   7   2.736  -4.236   7.687
   69   HH22  ARG   7          HH12      ARG   7   4.059  -4.143   8.800
   70    H    GLY   8           HN       GLY   8   5.116  -2.538  -0.422
   71    HA2  GLY   8           HA2      GLY   8   3.037  -0.852   0.563
   72    HA3  GLY   8           HA1      GLY   8   4.180  -0.457  -0.716
   73    H    ILE   9           HN       ILE   9   3.526  -2.637  -2.443
   74    HA   ILE   9           HA       ILE   9   1.389  -1.487  -3.919
   75    HB   ILE   9           HB       ILE   9   2.886  -4.099  -4.124
   76   HG12  ILE   9          HG12      ILE   9   3.688  -3.099  -6.212
   77   HG13  ILE   9          HG11      ILE   9   2.596  -1.729  -6.004
   78   HG21  ILE   9          HG21      ILE   9   0.769  -4.798  -4.913
   79   HG22  ILE   9          HG22      ILE   9   1.612  -4.306  -6.382
   80   HG23  ILE   9          HG23      ILE   9   0.425  -3.231  -5.643
   81   HD11  ILE   9          HD11      ILE   9   4.666  -2.448  -3.928
   82   HD12  ILE   9          HD12      ILE   9   3.790  -0.928  -4.111
   83   HD13  ILE   9          HD13      ILE   9   5.033  -1.374  -5.278
   84    H    VAL  10           HN       VAL  10   1.534  -4.504  -2.019
   85    HA   VAL  10           HA       VAL  10  -1.231  -5.110  -2.337
   86    HB   VAL  10           HB       VAL  10   0.363  -6.864  -1.799
   87   HG11  VAL  10          HG11      VAL  10   1.621  -6.916   0.220
   88   HG12  VAL  10          HG12      VAL  10   0.676  -5.609   0.934
   89   HG13  VAL  10          HG13      VAL  10   1.792  -5.271  -0.387
   90   HG21  VAL  10          HG21      VAL  10  -1.393  -6.469   0.634
   91   HG22  VAL  10          HG22      VAL  10  -0.911  -7.988  -0.121
   92   HG23  VAL  10          HG23      VAL  10  -2.054  -6.921  -0.938
   93    H    HIS  11           HN       HIS  11   0.629  -3.587   0.282
   94    HA   HIS  11           HA       HIS  11  -1.485  -3.284   2.108
   95    HB2  HIS  11           HB2      HIS  11   0.872  -2.961   2.720
   96    HB3  HIS  11           HB1      HIS  11   0.943  -1.524   1.700
   97    HD2  HIS  11           HD2      HIS  11   0.468   0.745   3.179
   98    HE1  HIS  11           HE1      HIS  11  -1.964  -0.966   6.175
   99    HE2  HIS  11           HE2      HIS  11  -0.879   1.185   5.372
  100    H    ALA  12           HN       ALA  12  -0.221  -1.004  -0.334
  101    HA   ALA  12           HA       ALA  12  -2.190   0.999   0.203
  102    HB1  ALA  12           HB1      ALA  12  -0.434   0.584  -2.229
  103    HB2  ALA  12           HB2      ALA  12  -0.024   1.553  -0.813
  104    HB3  ALA  12           HB3      ALA  12  -1.354   2.043  -1.864
  105    H    GLY  13           HN       GLY  13  -2.045  -1.827  -1.816
  106    HA2  GLY  13           HA2      GLY  13  -4.084  -1.171  -3.669
  107    HA3  GLY  13           HA1      GLY  13  -3.573  -2.802  -3.243
  108    H    ARG  14           HN       ARG  14  -4.304  -3.404  -0.893
  109    HA   ARG  14           HA       ARG  14  -7.060  -3.707  -0.858
  110    HB2  ARG  14           HB2      ARG  14  -5.060  -3.752   1.406
  111    HB3  ARG  14           HB1      ARG  14  -6.756  -4.190   1.614
  112    HG2  ARG  14           HG2      ARG  14  -6.526  -5.928  -0.121
  113    HG3  ARG  14           HG1      ARG  14  -4.831  -5.491  -0.337
  114    HD2  ARG  14           HD2      ARG  14  -6.009  -6.400   2.301
  115    HD3  ARG  14           HD1      ARG  14  -5.196  -7.478   1.170
  116    HE   ARG  14           HE       ARG  14  -3.445  -5.365   1.631
  117   HH11  ARG  14          HH21      ARG  14  -5.061  -7.845   3.426
  118   HH12  ARG  14          HH22      ARG  14  -3.813  -7.985   4.620
  119   HH21  ARG  14          HH11      ARG  14  -1.805  -5.544   3.193
  120   HH22  ARG  14          HH12      ARG  14  -1.970  -6.683   4.487
  121    H    SER  15           HN       SER  15  -5.111  -1.088   0.392
  122    HA   SER  15           HA       SER  15  -7.058   0.155   2.031
  123    HB2  SER  15           HB2      SER  15  -4.676   1.290   0.556
  124    HB3  SER  15           HB1      SER  15  -5.657   2.214   1.691
  125    HG   SER  15           HG       SER  15  -4.193  -0.169   2.196
  126    H    ILE  16           HN       ILE  16  -6.386   0.315  -1.400
  127    HA   ILE  16           HA       ILE  16  -7.826   2.574  -2.138
  128    HB   ILE  16           HB       ILE  16  -6.441   0.838  -3.589
  129   HG12  ILE  16          HG12      ILE  16  -7.928   1.665  -5.642
  130   HG13  ILE  16          HG11      ILE  16  -8.721   2.634  -4.402
  131   HG21  ILE  16          HG21      ILE  16  -7.705  -0.755  -4.820
  132   HG22  ILE  16          HG22      ILE  16  -9.238  -0.041  -4.322
  133   HG23  ILE  16          HG23      ILE  16  -8.267  -0.937  -3.163
  134   HD11  ILE  16          HD11      ILE  16  -7.010   4.054  -5.169
  135   HD12  ILE  16          HD12      ILE  16  -5.856   2.730  -5.327
  136   HD13  ILE  16          HD13      ILE  16  -6.294   3.331  -3.729
  137    H    GLY  17           HN       GLY  17  -9.029  -0.661  -1.405
  138    HA2  GLY  17           HA2      GLY  17 -11.714  -0.210  -2.250
  139    HA3  GLY  17           HA1      GLY  17 -11.160  -1.509  -1.199
  140    H    ARG  18           HN       ARG  18 -10.017   0.133   0.838
  141    HA   ARG  18           HA       ARG  18 -12.287   0.590   2.452
  142    HB2  ARG  18           HB2      ARG  18  -9.912   0.086   3.228
  143    HB3  ARG  18           HB1      ARG  18  -9.549   1.781   2.908
  144    HG2  ARG  18           HG2      ARG  18 -10.163   1.922   5.152
  145    HG3  ARG  18           HG1      ARG  18 -11.728   2.193   4.389
  146    HD2  ARG  18           HD2      ARG  18 -12.257  -0.212   4.628
  147    HD3  ARG  18           HD1      ARG  18 -10.693  -0.477   5.391
  148    HE   ARG  18           HE       ARG  18 -11.549   0.442   7.349
  149   HH11  ARG  18          HH21      ARG  18 -13.594   1.119   4.642
  150   HH12  ARG  18          HH22      ARG  18 -14.883   1.765   5.601
  151   HH21  ARG  18          HH11      ARG  18 -13.235   1.287   8.615
  152   HH22  ARG  18          HH12      ARG  18 -14.681   1.860   7.851
  153    H    PHE  19           HN       PHE  19 -10.229   2.772   0.572
  154    HA   PHE  19           HA       PHE  19 -11.386   5.190   1.517
  155    HB2  PHE  19           HB2      PHE  19  -9.166   4.992   0.358
  156    HB3  PHE  19           HB1      PHE  19 -10.038   4.715  -1.150
  157    HD1  PHE  19           HD2      PHE  19  -9.657   7.138   1.669
  158    HD2  PHE  19           HD1      PHE  19 -10.911   6.531  -2.396
  159    HE1  PHE  19           HE2      PHE  19  -9.953   9.584   1.394
  160    HE2  PHE  19           HE1      PHE  19 -11.208   8.977  -2.669
  161    HZ   PHE  19           HZ       PHE  19 -10.730  10.504  -0.775
  162    H    LEU  20           HN       LEU  20 -12.158   2.971  -1.101
  163    HA   LEU  20           HA       LEU  20 -13.910   4.582  -2.570
  164    HB2  LEU  20           HB2      LEU  20 -12.998   2.059  -2.890
  165    HB3  LEU  20           HB1      LEU  20 -14.596   1.684  -2.251
  166    HG   LEU  20           HG       LEU  20 -14.011   3.432  -4.661
  167   HD11  LEU  20          HD11      LEU  20 -13.712   1.173  -5.318
  168   HD12  LEU  20          HD12      LEU  20 -15.370   1.553  -5.780
  169   HD13  LEU  20          HD13      LEU  20 -15.055   0.618  -4.319
  170   HD21  LEU  20          HD21      LEU  20 -15.974   4.351  -3.766
  171   HD22  LEU  20          HD22      LEU  20 -16.533   2.803  -3.132
  172   HD23  LEU  20          HD23      LEU  20 -16.615   3.133  -4.863
  173    H    THR  21           HN       THR  21 -14.405   2.738   0.400
  174    HA   THR  21           HA       THR  21 -17.151   2.650   0.585
  175    HB   THR  21           HB       THR  21 -15.286   1.874   2.254
  176    HG1  THR  21           HG1      THR  21 -17.507   2.921   3.570
  177   HG21  THR  21          HG21      THR  21 -14.698   4.401   2.634
  178   HG22  THR  21          HG22      THR  21 -14.717   3.312   4.023
  179   HG23  THR  21          HG23      THR  21 -16.089   4.378   3.717
  180    H    GLY  22           HN       GLY  22 -15.103   5.429   0.611
  181    HA2  GLY  22           HA2      GLY  22 -17.120   7.303   0.231
  182    HA3  GLY  22           HA1      GLY  22 -16.827   7.241   1.966
  183    HN1  NH2  23           HT1      GLY  22 -13.525   8.651   1.837
  184    HN2  NH2  23           HT2      GLY  22 -14.535   7.563   2.730
  Start of MODEL   10
    1    H1   PHE   1           HT1      PHE   1  14.935  -7.789  -3.186
    2    H2   PHE   1           HT2      PHE   1  14.052  -8.440  -1.889
    3    H3   PHE   1           HT3      PHE   1  15.684  -8.018  -1.681
    4    HA   PHE   1           HA       PHE   1  14.478  -6.297  -0.670
    5    HB2  PHE   1           HB2      PHE   1  16.330  -5.681  -2.326
    6    HB3  PHE   1           HB1      PHE   1  15.042  -5.289  -3.465
    7    HD1  PHE   1           HD1      PHE   1  16.620  -4.383  -0.252
    8    HD2  PHE   1           HD2      PHE   1  13.592  -3.370  -3.125
    9    HE1  PHE   1           HE1      PHE   1  16.328  -2.172   0.833
   10    HE2  PHE   1           HE2      PHE   1  13.302  -1.158  -2.039
   11    HZ   PHE   1           HZ       PHE   1  14.670  -0.559  -0.061
   12    H    ILE   2           HN       ILE   2  13.208  -7.174  -3.853
   13    HA   ILE   2           HA       ILE   2  11.050  -5.476  -4.094
   14    HB   ILE   2           HB       ILE   2  11.757  -7.192  -5.774
   15   HG12  ILE   2          HG12      ILE   2   8.833  -7.440  -5.015
   16   HG13  ILE   2          HG11      ILE   2   9.510  -6.006  -5.785
   17   HG21  ILE   2          HG21      ILE   2  10.133  -9.113  -4.086
   18   HG22  ILE   2          HG22      ILE   2  11.894  -9.040  -4.026
   19   HG23  ILE   2          HG23      ILE   2  11.082  -9.481  -5.526
   20   HD11  ILE   2          HD11      ILE   2  10.365  -7.506  -7.630
   21   HD12  ILE   2          HD12      ILE   2   8.608  -7.405  -7.534
   22   HD13  ILE   2          HD13      ILE   2   9.446  -8.822  -6.901
   23    H    HIS   3           HN       HIS   3  11.434  -8.243  -1.992
   24    HA   HIS   3           HA       HIS   3   8.847  -8.851  -1.264
   25    HB2  HIS   3           HB2      HIS   3  11.260  -8.623   0.552
   26    HB3  HIS   3           HB1      HIS   3   9.764  -9.467   0.954
   27    HD2  HIS   3           HD2      HIS   3   9.509 -12.019  -0.191
   28    HE1  HIS   3           HE1      HIS   3  13.071 -11.918  -2.455
   29    HE2  HIS   3           HE2      HIS   3  11.147 -13.390  -1.693
   30    H    HIS   4           HN       HIS   4  10.871  -6.210   0.006
   31    HA   HIS   4           HA       HIS   4   8.920  -5.217   1.831
   32    HB2  HIS   4           HB2      HIS   4  11.311  -4.688   2.043
   33    HB3  HIS   4           HB1      HIS   4  11.250  -3.792   0.524
   34    HD2  HIS   4           HD2      HIS   4  10.572  -1.132   0.863
   35    HE1  HIS   4           HE1      HIS   4   8.894  -1.436   4.725
   36    HE2  HIS   4           HE2      HIS   4   9.530   0.176   2.868
   37    H    ILE   5           HN       ILE   5   9.931  -4.119  -1.398
   38    HA   ILE   5           HA       ILE   5   8.065  -2.027  -1.666
   39    HB   ILE   5           HB       ILE   5   9.230  -3.746  -3.870
   40   HG12  ILE   5          HG12      ILE   5  10.247  -1.145  -2.683
   41   HG13  ILE   5          HG11      ILE   5  10.923  -2.734  -2.322
   42   HG21  ILE   5          HG21      ILE   5   7.338  -2.339  -4.592
   43   HG22  ILE   5          HG22      ILE   5   8.852  -1.728  -5.253
   44   HG23  ILE   5          HG23      ILE   5   8.109  -0.926  -3.870
   45   HD11  ILE   5          HD11      ILE   5  10.800  -1.404  -5.046
   46   HD12  ILE   5          HD12      ILE   5  11.357  -3.054  -4.765
   47   HD13  ILE   5          HD13      ILE   5  12.248  -1.693  -4.084
   48    H    PHE   6           HN       PHE   6   7.788  -5.477  -2.214
   49    HA   PHE   6           HA       PHE   6   5.373  -5.459  -3.698
   50    HB2  PHE   6           HB2      PHE   6   6.904  -7.419  -3.513
   51    HB3  PHE   6           HB1      PHE   6   6.390  -7.620  -1.839
   52    HD1  PHE   6           HD1      PHE   6   4.970  -7.279  -5.295
   53    HD2  PHE   6           HD2      PHE   6   4.527  -8.960  -1.367
   54    HE1  PHE   6           HE1      PHE   6   2.975  -8.540  -6.059
   55    HE2  PHE   6           HE2      PHE   6   2.534 -10.221  -2.131
   56    HZ   PHE   6           HZ       PHE   6   1.758 -10.011  -4.477
   57    H    ARG   7           HN       ARG   7   6.061  -5.634  -0.238
   58    HA   ARG   7           HA       ARG   7   3.452  -6.100   0.681
   59    HB2  ARG   7           HB2      ARG   7   5.759  -4.623   1.970
   60    HB3  ARG   7           HB1      ARG   7   4.264  -5.030   2.813
   61    HG2  ARG   7           HG2      ARG   7   5.750  -7.213   1.363
   62    HG3  ARG   7           HG1      ARG   7   6.344  -6.680   2.935
   63    HD2  ARG   7           HD2      ARG   7   4.196  -7.174   3.969
   64    HD3  ARG   7           HD1      ARG   7   3.490  -7.564   2.407
   65    HE   ARG   7           HE       ARG   7   5.666  -9.257   2.693
   66   HH11  ARG   7          HH21      ARG   7   2.725  -8.525   4.366
   67   HH12  ARG   7          HH22      ARG   7   2.525 -10.126   4.996
   68   HH21  ARG   7          HH11      ARG   7   5.408 -11.357   3.518
   69   HH22  ARG   7          HH12      ARG   7   4.043 -11.729   4.517
   70    H    GLY   8           HN       GLY   8   5.068  -3.138  -0.300
   71    HA2  GLY   8           HA2      GLY   8   3.096  -1.333   0.696
   72    HA3  GLY   8           HA1      GLY   8   4.318  -0.970  -0.519
   73    H    ILE   9           HN       ILE   9   3.557  -3.018  -2.371
   74    HA   ILE   9           HA       ILE   9   1.605  -1.641  -3.884
   75    HB   ILE   9           HB       ILE   9   2.510  -4.522  -4.154
   76   HG12  ILE   9          HG12      ILE   9   4.249  -2.505  -4.232
   77   HG13  ILE   9          HG11      ILE   9   4.317  -3.749  -5.477
   78   HG21  ILE   9          HG21      ILE   9   1.886  -3.976  -6.618
   79   HG22  ILE   9          HG22      ILE   9   0.955  -2.642  -5.934
   80   HG23  ILE   9          HG23      ILE   9   0.566  -4.306  -5.496
   81   HD11  ILE   9          HD11      ILE   9   4.345  -1.232  -6.221
   82   HD12  ILE   9          HD12      ILE   9   2.620  -1.286  -5.881
   83   HD13  ILE   9          HD13      ILE   9   3.309  -2.361  -7.093
   84    H    VAL  10           HN       VAL  10   1.371  -4.724  -2.116
   85    HA   VAL  10           HA       VAL  10  -1.417  -5.064  -2.562
   86    HB   VAL  10           HB       VAL  10  -0.031  -6.967  -1.962
   87   HG11  VAL  10          HG11      VAL  10   0.308  -5.705   0.766
   88   HG12  VAL  10          HG12      VAL  10   1.514  -5.559  -0.511
   89   HG13  VAL  10          HG13      VAL  10   1.106  -7.146   0.138
   90   HG21  VAL  10          HG21      VAL  10  -1.842  -6.393   0.396
   91   HG22  VAL  10          HG22      VAL  10  -1.459  -7.961  -0.314
   92   HG23  VAL  10          HG23      VAL  10  -2.465  -6.814  -1.200
   93    H    HIS  11           HN       HIS  11   0.450  -3.687   0.126
   94    HA   HIS  11           HA       HIS  11  -1.718  -3.215   1.865
   95    HB2  HIS  11           HB2      HIS  11   0.634  -3.114   2.585
   96    HB3  HIS  11           HB1      HIS  11   0.874  -1.671   1.597
   97    HD2  HIS  11           HD2      HIS  11  -1.302  -2.687   4.769
   98    HE1  HIS  11           HE1      HIS  11  -0.832   1.507   4.704
   99    HE2  HIS  11           HE2      HIS  11  -1.758  -0.448   6.032
  100    H    ALA  12           HN       ALA  12  -0.158  -1.104  -0.547
  101    HA   ALA  12           HA       ALA  12  -1.776   1.161  -0.100
  102    HB1  ALA  12           HB1      ALA  12  -0.151   0.214  -2.454
  103    HB2  ALA  12           HB2      ALA  12   0.201   1.529  -1.334
  104    HB3  ALA  12           HB3      ALA  12  -1.087   1.706  -2.523
  105    H    GLY  13           HN       GLY  13  -2.351  -1.810  -1.773
  106    HA2  GLY  13           HA2      GLY  13  -4.476  -0.887  -3.466
  107    HA3  GLY  13           HA1      GLY  13  -4.106  -2.565  -3.083
  108    H    ARG  14           HN       ARG  14  -4.352  -2.578  -0.348
  109    HA   ARG  14           HA       ARG  14  -7.134  -2.849   0.027
  110    HB2  ARG  14           HB2      ARG  14  -4.850  -2.668   1.996
  111    HB3  ARG  14           HB1      ARG  14  -6.515  -2.987   2.481
  112    HG2  ARG  14           HG2      ARG  14  -6.583  -4.981   1.072
  113    HG3  ARG  14           HG1      ARG  14  -4.958  -4.644   0.475
  114    HD2  ARG  14           HD2      ARG  14  -4.829  -6.326   2.233
  115    HD3  ARG  14           HD1      ARG  14  -4.097  -4.830   2.804
  116    HE   ARG  14           HE       ARG  14  -6.840  -4.884   3.523
  117   HH11  ARG  14          HH21      ARG  14  -3.785  -6.349   4.225
  118   HH12  ARG  14          HH22      ARG  14  -4.180  -6.709   5.872
  119   HH21  ARG  14          HH11      ARG  14  -7.367  -5.354   5.683
  120   HH22  ARG  14          HH12      ARG  14  -6.207  -6.145   6.698
  121    H    SER  15           HN       SER  15  -4.904  -0.218   0.767
  122    HA   SER  15           HA       SER  15  -6.658   1.356   2.327
  123    HB2  SER  15           HB2      SER  15  -4.365   1.944   2.389
  124    HB3  SER  15           HB1      SER  15  -4.253   2.019   0.632
  125    HG   SER  15           HG       SER  15  -5.213   3.933   0.641
  126    H    ILE  16           HN       ILE  16  -6.011   1.275  -1.153
  127    HA   ILE  16           HA       ILE  16  -7.684   3.444  -1.870
  128    HB   ILE  16           HB       ILE  16  -6.785   1.021  -3.443
  129   HG12  ILE  16          HG12      ILE  16  -5.895   3.911  -3.628
  130   HG13  ILE  16          HG11      ILE  16  -5.088   2.731  -2.597
  131   HG21  ILE  16          HG21      ILE  16  -7.405   2.555  -5.419
  132   HG22  ILE  16          HG22      ILE  16  -8.357   3.474  -4.253
  133   HG23  ILE  16          HG23      ILE  16  -8.740   1.781  -4.566
  134   HD11  ILE  16          HD11      ILE  16  -3.999   2.942  -4.831
  135   HD12  ILE  16          HD12      ILE  16  -5.502   2.411  -5.584
  136   HD13  ILE  16          HD13      ILE  16  -4.610   1.315  -4.530
  137    H    GLY  17           HN       GLY  17  -8.294  -0.050  -1.652
  138    HA2  GLY  17           HA2      GLY  17 -10.980   0.054  -2.578
  139    HA3  GLY  17           HA1      GLY  17 -10.250  -1.267  -1.672
  140    H    ARG  18           HN       ARG  18  -9.483   0.359   0.596
  141    HA   ARG  18           HA       ARG  18 -11.815   0.127   2.168
  142    HB2  ARG  18           HB2      ARG  18  -9.514   0.034   3.086
  143    HB3  ARG  18           HB1      ARG  18  -9.325   1.753   2.741
  144    HG2  ARG  18           HG2      ARG  18 -11.209   2.279   4.232
  145    HG3  ARG  18           HG1      ARG  18 -11.442   0.561   4.557
  146    HD2  ARG  18           HD2      ARG  18  -9.096   0.475   5.438
  147    HD3  ARG  18           HD1      ARG  18  -9.003   2.223   5.246
  148    HE   ARG  18           HE       ARG  18 -10.521   0.774   7.272
  149   HH11  ARG  18          HH21      ARG  18  -9.931   3.731   5.572
  150   HH12  ARG  18          HH22      ARG  18 -10.617   4.737   6.802
  151   HH21  ARG  18          HH11      ARG  18 -11.423   2.088   8.890
  152   HH22  ARG  18          HH12      ARG  18 -11.462   3.807   8.682
  153    H    PHE  19           HN       PHE  19 -10.270   2.915   0.608
  154    HA   PHE  19           HA       PHE  19 -11.990   4.882   1.723
  155    HB2  PHE  19           HB2      PHE  19  -9.749   5.322   0.663
  156    HB3  PHE  19           HB1      PHE  19 -10.502   5.033  -0.906
  157    HD1  PHE  19           HD1      PHE  19 -10.373   7.270   2.025
  158    HD2  PHE  19           HD2      PHE  19 -12.111   6.600  -1.845
  159    HE1  PHE  19           HE1      PHE  19 -11.216   9.603   2.000
  160    HE2  PHE  19           HE2      PHE  19 -12.953   8.932  -1.871
  161    HZ   PHE  19           HZ       PHE  19 -12.507  10.434   0.051
  162    H    LEU  20           HN       LEU  20 -12.125   2.876  -1.169
  163    HA   LEU  20           HA       LEU  20 -14.112   4.122  -2.620
  164    HB2  LEU  20           HB2      LEU  20 -12.906   2.108  -3.401
  165    HB3  LEU  20           HB1      LEU  20 -13.780   1.136  -2.220
  166    HG   LEU  20           HG       LEU  20 -15.933   1.803  -3.307
  167   HD11  LEU  20          HD11      LEU  20 -14.031   3.396  -5.009
  168   HD12  LEU  20          HD12      LEU  20 -15.609   3.859  -4.368
  169   HD13  LEU  20          HD13      LEU  20 -15.505   2.773  -5.748
  170   HD21  LEU  20          HD21      LEU  20 -14.716  -0.275  -3.985
  171   HD22  LEU  20          HD22      LEU  20 -13.928   0.645  -5.267
  172   HD23  LEU  20          HD23      LEU  20 -15.676   0.412  -5.295
  173    H    THR  21           HN       THR  21 -14.386   2.171   0.282
  174    HA   THR  21           HA       THR  21 -17.083   1.568   0.347
  175    HB   THR  21           HB       THR  21 -15.538   2.580   2.739
  176    HG1  THR  21           HG1      THR  21 -14.446   0.961   1.411
  177   HG21  THR  21          HG21      THR  21 -16.975   1.035   3.962
  178   HG22  THR  21          HG22      THR  21 -17.708   0.484   2.457
  179   HG23  THR  21          HG23      THR  21 -17.975   2.136   3.015
  180    H    GLY  22           HN       GLY  22 -15.565   4.550   1.633
  181    HA2  GLY  22           HA2      GLY  22 -16.417   6.651   1.990
  182    HA3  GLY  22           HA1      GLY  22 -17.470   6.324   0.617
  183    HN1  NH2  23           HT1      GLY  22 -19.402   4.522   3.639
  184    HN2  NH2  23           HT2      GLY  22 -18.060   3.855   2.770