*HEADER    ANTIMICROBIAL PROTEIN                   11-JUL-18   6A8Y              
*TITLE     YR26_SDS                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: YR26_SDS;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: DIBASIC-PROCESSING ENZYME,PAIRED BASIC AMINO ACID RESIDUE-  
*COMPND   5 CLEAVING ENZYME,PACE;                                                
*COMPND   6 EC: 3.4.21.75;                                                       
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: FURIN, FUR, PACE, PCSK3;                                       
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    YR26, ANTIMICROBIAL, FURIN PRODOMAIN, ANTIBACTERIAL, ANTIMICROBIAL    
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.SINHA,S.BHATTACHARJYA                                               
*REVDAT   1   17-JUL-19 6A8Y    0                                                
# Restraints file 1: YR26_SDS.aco
# Torsion angle constraints 
# generated from HA secondary chemical shifts
   2 TYR   PHI  -98.2     -48.2 
   2 TYR   PSI	-74.1     -24.1
   3 HIS   PHI	-89.4     -39.4
   3 HIS   PSI	-69.9     -19.9
   4 PHE   PHI	-81.1     -31.1
   4 PHE   PSI	-68.8     -18.8
   #5 TRP   PHI	-151.3    -101.3
   #5 TRP   PSI	 112.1     162.1
   6 HIS   PHI	-96.0     -46.0
   6 HIS   PSI  -65.6     -15.6
   7 ARG   PHI  -87.8     -37.8
   7 ARG   PSI	-61.8     -11.8
   9 VAL   PHI	-89.4     -39.4
   9 VAL   PSI	-65.2     -15.2 
  10 THR   PHI	-92.0     -52.0
  10 THR   PSI	-64.4     -14.4
  11 LYS   PHI	-89.5     -39.5
  11 LYS   PSI  -62.0     -12.0
  12 ARG   PHI	-85.1     -35.1
  12 ARG   PSI	-64.6     -14.6
  13 SER   PHI	-88.9     -38.9
  13 SER   PSI  -70.0     -20.0
  14 LEU   PHI	-94.7     -44.7
  14 LEU   PSI	-63.2     -13.2
  15 SER   PHI	-88.9     -38.9
  15 SER   PSI  -59.8     -9.8
  17 HIS   PHI	-154.0    -104.0
  17 HIS   PSI	 128.4     178.4
  18 ARG   PHI	-107.3    -57.3
  18 ARG   PSI   107.8     157.8
  20 ARG   PHI	-87.7     -37.7
  20 ARG   PSI  -66.3     -16.3
  21 HIS   PHI	-86.1     -36.1
  21 HIS   PSI  -66.5     -16.5
  22 SER   PHI	-87.8     -37.8
  22 SER   PSI  -61.8     -11.8
  23 ARG   PHI	-91.5     -41.5
  23 ARG   PSI  -66.8     -16.8
  24 LEU   PHI	-90.5     -40.5
  24 LEU   PSI  -64.2     -14.2
  25 GLN   PHI	-90.0     -40.0
  25 GLN   PSI  -66.0     -16.0

 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TYR   1           H        TYR   1   1.807   0.001   0.855
    2    HA   TYR   1           HA       TYR   1   3.137  -0.103  -0.988
    3    HB2  TYR   1          2HB       TYR   1   0.805  -1.649  -1.693
    4    HB3  TYR   1          3HB       TYR   1   1.433  -0.814  -3.109
    5    HD1  TYR   1           HD1      TYR   1   4.072  -0.984  -3.383
    6    HD2  TYR   1           HD2      TYR   1   1.672  -3.727  -1.188
    7    HE1  TYR   1           HE1      TYR   1   5.821  -2.697  -3.624
    8    HE2  TYR   1           HE2      TYR   1   3.415  -5.447  -1.421
    9    HH   TYR   1           HH       TYR   1   6.086  -5.080  -3.546
   10    H    TYR   2           H        TYR   2   3.854   1.400  -2.402
   11    HA   TYR   2           HA       TYR   2   2.025   3.607  -3.014
   12    HB2  TYR   2          2HB       TYR   2   4.545   4.430  -3.780
   13    HB3  TYR   2          3HB       TYR   2   3.772   4.787  -2.239
   14    HD1  TYR   2           HD1      TYR   2   4.705   4.015  -0.234
   15    HD2  TYR   2           HD2      TYR   2   6.010   2.341  -3.922
   16    HE1  TYR   2           HE1      TYR   2   6.502   2.822   0.949
   17    HE2  TYR   2           HE2      TYR   2   7.809   1.143  -2.749
   18    HH   TYR   2           HH       TYR   2   8.605   0.537  -0.729
   19    H    HIS   3           H        HIS   3   4.245   1.328  -4.524
   20    HA   HIS   3           HA       HIS   3   4.323   2.299  -7.109
   21    HB2  HIS   3          2HB       HIS   3   5.269   0.066  -5.874
   22    HB3  HIS   3          3HB       HIS   3   4.018  -0.629  -6.901
   23    HD1  HIS   3           HD1      HIS   3   6.764  -1.461  -7.600
   24    HD2  HIS   3           HD2      HIS   3   5.101   2.042  -9.090
   25    HE1  HIS   3           HE1      HIS   3   8.065  -0.934  -9.686
   26    H    PHE   4           H        PHE   4   1.659   1.008  -5.391
   27    HA   PHE   4           HA       PHE   4   0.102  -0.020  -7.484
   28    HB2  PHE   4          2HB       PHE   4  -0.242   0.568  -4.707
   29    HB3  PHE   4          3HB       PHE   4  -1.623   1.210  -5.591
   30    HD1  PHE   4           HD1      PHE   4   0.460  -1.860  -5.984
   31    HD2  PHE   4           HD2      PHE   4  -3.416  -0.204  -5.393
   32    HE1  PHE   4           HE1      PHE   4  -0.516  -4.117  -6.086
   33    HE2  PHE   4           HE2      PHE   4  -4.398  -2.458  -5.493
   34    HZ   PHE   4           HZ       PHE   4  -2.948  -4.418  -5.839
   35    H    TRP   5           H        TRP   5   1.050   3.165  -6.810
   36    HA   TRP   5           HA       TRP   5  -1.186   4.585  -7.807
   37    HB2  TRP   5          2HB       TRP   5   0.211   6.510  -7.788
   38    HB3  TRP   5          3HB       TRP   5   0.721   5.522  -6.422
   39    HD1  TRP   5           HD1      TRP   5   2.707   3.538  -7.764
   40    HE1  TRP   5           HE1      TRP   5   4.931   4.369  -8.760
   41    HE3  TRP   5           HE3      TRP   5   1.500   8.458  -8.456
   42    HZ2  TRP   5           HZ2      TRP   5   6.028   6.789  -9.712
   43    HZ3  TRP   5           HZ3      TRP   5   3.193   9.964  -9.414
   44    HH2  TRP   5           HH2      TRP   5   5.410   9.145 -10.028
   45    H    HIS   6           H        HIS   6   1.655   3.185  -9.328
   46    HA   HIS   6           HA       HIS   6   0.643   4.065 -11.950
   47    HB2  HIS   6          2HB       HIS   6   3.301   3.977 -10.809
   48    HB3  HIS   6          3HB       HIS   6   3.228   3.038 -12.298
   49    HD1  HIS   6           HD1      HIS   6   3.595   4.348 -14.359
   50    HD2  HIS   6           HD2      HIS   6   2.187   6.722 -11.253
   51    HE1  HIS   6           HE1      HIS   6   3.579   6.696 -15.261
   52    H    ARG   7           H        ARG   7   1.849   1.313 -10.109
   53    HA   ARG   7           HA       ARG   7   1.636  -0.561 -12.246
   54    HB2  ARG   7          2HB       ARG   7   1.649  -1.107  -9.273
   55    HB3  ARG   7          3HB       ARG   7   2.012  -2.257 -10.553
   56    HG2  ARG   7          2HG       ARG   7   3.628   0.240 -10.187
   57    HG3  ARG   7          3HG       ARG   7   3.966  -1.231  -9.272
   58    HD2  ARG   7          2HD       ARG   7   3.816  -1.114 -12.279
   59    HD3  ARG   7          3HD       ARG   7   5.315  -0.959 -11.364
   60    HE   ARG   7           HE       ARG   7   4.016  -3.308 -10.563
   61   HH11  ARG   7          1HH1      ARG   7   5.632  -1.973 -13.343
   62   HH12  ARG   7          2HH1      ARG   7   6.165  -3.512 -13.934
   63   HH21  ARG   7          1HH2      ARG   7   4.711  -5.339 -11.331
   64   HH22  ARG   7          2HH2      ARG   7   5.640  -5.426 -12.790
   65    H    GLY   8           H        GLY   8  -0.252  -0.379  -9.218
   66    HA2  GLY   8          2HA       GLY   8  -2.309  -2.074 -10.041
   67    HA3  GLY   8          3HA       GLY   8  -2.453  -0.857  -8.781
   68    H    VAL   9           H        VAL   9  -1.685   1.190 -10.930
   69    HA   VAL   9           HA       VAL   9  -4.424   1.657 -11.806
   70    HB   VAL   9           HB       VAL   9  -2.008   3.448 -12.088
   71   HG11  VAL   9          1HG1      VAL   9  -3.328   4.618 -13.446
   72   HG12  VAL   9          2HG1      VAL   9  -4.722   3.602 -13.075
   73   HG13  VAL   9          3HG1      VAL   9  -4.327   4.974 -12.038
   74   HG21  VAL   9          1HG2      VAL   9  -3.265   4.703 -10.213
   75   HG22  VAL   9          2HG2      VAL   9  -4.058   3.155  -9.923
   76   HG23  VAL   9          3HG2      VAL   9  -2.305   3.287  -9.787
   77    H    THR  10           H        THR  10  -1.559   0.355 -13.034
   78    HA   THR  10           HA       THR  10  -1.501   1.178 -15.682
   79    HB   THR  10           HB       THR  10   0.126  -0.384 -14.420
   80    HG1  THR  10           HG1      THR  10   0.472  -1.502 -16.616
   81   HG21  THR  10          1HG2      THR  10  -1.982  -2.071 -14.307
   82   HG22  THR  10          2HG2      THR  10  -0.301  -2.600 -14.248
   83   HG23  THR  10          3HG2      THR  10  -1.189  -2.653 -15.770
   84    H    LYS  11           H        LYS  11  -3.844  -0.712 -14.063
   85    HA   LYS  11           HA       LYS  11  -4.833  -2.354 -16.074
   86    HB2  LYS  11          2HB       LYS  11  -6.229  -2.884 -14.418
   87    HB3  LYS  11          3HB       LYS  11  -5.660  -1.499 -13.495
   88    HG2  LYS  11          2HG       LYS  11  -7.348  -0.090 -14.527
   89    HG3  LYS  11          3HG       LYS  11  -7.900  -1.450 -15.509
   90    HD2  LYS  11          2HD       LYS  11  -8.664  -2.630 -13.586
   91    HD3  LYS  11          3HD       LYS  11  -7.880  -1.483 -12.496
   92    HE2  LYS  11          2HE       LYS  11  -9.391   0.280 -13.279
   93    HE3  LYS  11          3HE       LYS  11 -10.175  -0.873 -14.359
   94    HZ1  LYS  11          1HZ       LYS  11 -10.027  -1.557 -11.521
   95    HZ2  LYS  11          2HZ       LYS  11 -11.240  -1.891 -12.651
   96    HZ3  LYS  11          3HZ       LYS  11 -11.118  -0.346 -11.974
   97    H    ARG  12           H        ARG  12  -5.531   1.047 -15.390
   98    HA   ARG  12           HA       ARG  12  -7.417   1.245 -17.566
   99    HB2  ARG  12          2HB       ARG  12  -7.945   3.310 -16.742
  100    HB3  ARG  12          3HB       ARG  12  -7.246   2.606 -15.290
  101    HG2  ARG  12          2HG       ARG  12  -5.032   3.649 -16.362
  102    HG3  ARG  12          3HG       ARG  12  -6.229   4.756 -17.038
  103    HD2  ARG  12          2HD       ARG  12  -6.343   4.088 -14.134
  104    HD3  ARG  12          3HD       ARG  12  -5.120   5.224 -14.703
  105    HE   ARG  12           HE       ARG  12  -7.788   5.819 -15.606
  106   HH11  ARG  12          1HH1      ARG  12  -5.443   6.260 -13.071
  107   HH12  ARG  12          2HH1      ARG  12  -6.158   7.726 -12.486
  108   HH21  ARG  12          1HH2      ARG  12  -8.739   7.747 -14.845
  109   HH22  ARG  12          2HH2      ARG  12  -8.034   8.570 -13.496
  110    H    SER  13           H        SER  13  -4.031   1.613 -17.126
  111    HA   SER  13           HA       SER  13  -3.660   3.295 -19.455
  112    HB2  SER  13          2HB       SER  13  -2.049   3.746 -17.823
  113    HB3  SER  13          3HB       SER  13  -1.822   2.041 -17.436
  114    HG   SER  13           HG       SER  13  -0.638   1.776 -19.267
  115    H    LEU  14           H        LEU  14  -3.905  -0.038 -18.760
  116    HA   LEU  14           HA       LEU  14  -2.559  -0.794 -21.251
  117    HB2  LEU  14          2HB       LEU  14  -2.695  -3.077 -20.438
  118    HB3  LEU  14          3HB       LEU  14  -1.928  -2.026 -19.248
  119    HG   LEU  14           HG       LEU  14  -4.385  -1.946 -18.266
  120   HD11  LEU  14          1HD1      LEU  14  -5.807  -3.567 -18.870
  121   HD12  LEU  14          2HD1      LEU  14  -4.529  -4.772 -19.016
  122   HD13  LEU  14          3HD1      LEU  14  -4.836  -3.649 -20.340
  123   HD21  LEU  14          1HD2      LEU  14  -3.620  -4.278 -17.150
  124   HD22  LEU  14          2HD2      LEU  14  -2.933  -2.711 -16.722
  125   HD23  LEU  14          3HD2      LEU  14  -2.097  -3.758 -17.871
  126    H    SER  15           H        SER  15  -5.686  -0.725 -19.690
  127    HA   SER  15           HA       SER  15  -7.340  -2.353 -20.934
  128    HB2  SER  15          2HB       SER  15  -8.568   0.153 -21.424
  129    HB3  SER  15          3HB       SER  15  -8.823  -0.926 -20.052
  130    HG   SER  15           HG       SER  15  -7.995   1.382 -19.746
  131    HA   PRO  16           HA       PRO  16  -7.418   0.037 -25.132
  132    HB2  PRO  16          2HB       PRO  16  -5.572   1.997 -25.484
  133    HB3  PRO  16          3HB       PRO  16  -7.169   2.295 -24.787
  134    HG2  PRO  16          2HG       PRO  16  -4.538   1.927 -23.407
  135    HG3  PRO  16          3HG       PRO  16  -5.821   3.105 -23.074
  136    HD2  PRO  16          2HD       PRO  16  -5.494   0.853 -21.606
  137    HD3  PRO  16          3HD       PRO  16  -7.087   1.582 -21.896
  138    H    HIS  17           H        HIS  17  -6.115  -2.243 -24.670
  139    HA   HIS  17           HA       HIS  17  -3.866  -2.102 -26.537
  140    HB2  HIS  17          2HB       HIS  17  -2.401  -3.378 -25.191
  141    HB3  HIS  17          3HB       HIS  17  -3.054  -2.146 -24.116
  142    HD1  HIS  17           HD1      HIS  17  -1.892  -4.933 -23.184
  143    HD2  HIS  17           HD2      HIS  17  -5.915  -4.000 -23.646
  144    HE1  HIS  17           HE1      HIS  17  -3.130  -6.545 -21.705
  145    H    ARG  18           H        ARG  18  -3.122  -4.724 -26.577
  146    HA   ARG  18           HA       ARG  18  -4.900  -5.931 -28.279
  147    HB2  ARG  18          2HB       ARG  18  -2.684  -6.943 -26.563
  148    HB3  ARG  18          3HB       ARG  18  -3.746  -8.127 -27.313
  149    HG2  ARG  18          2HG       ARG  18  -3.269  -6.924 -29.506
  150    HG3  ARG  18          3HG       ARG  18  -1.960  -6.119 -28.640
  151    HD2  ARG  18          2HD       ARG  18  -1.124  -8.406 -28.002
  152    HD3  ARG  18          3HD       ARG  18  -2.310  -9.069 -29.125
  153    HE   ARG  18           HE       ARG  18  -0.945  -8.470 -30.856
  154   HH11  ARG  18          1HH1      ARG  18   0.018  -6.725 -28.001
  155   HH12  ARG  18          2HH1      ARG  18   1.437  -6.052 -28.732
  156   HH21  ARG  18          1HH2      ARG  18   0.921  -7.590 -31.829
  157   HH22  ARG  18          2HH2      ARG  18   1.950  -6.544 -30.910
  158    HA   PRO  19           HA       PRO  19  -8.159  -6.833 -25.297
  159    HB2  PRO  19          2HB       PRO  19 -10.022  -7.420 -27.182
  160    HB3  PRO  19          3HB       PRO  19  -9.606  -5.764 -26.726
  161    HG2  PRO  19          2HG       PRO  19  -8.680  -7.371 -29.076
  162    HG3  PRO  19          3HG       PRO  19  -9.186  -5.673 -29.012
  163    HD2  PRO  19          2HD       PRO  19  -6.583  -6.417 -29.058
  164    HD3  PRO  19          3HD       PRO  19  -7.146  -4.965 -28.205
  165    H    ARG  20           H        ARG  20  -6.360  -8.789 -27.303
  166    HA   ARG  20           HA       ARG  20  -7.840 -11.174 -27.392
  167    HB2  ARG  20          2HB       ARG  20  -6.049 -11.365 -28.781
  168    HB3  ARG  20          3HB       ARG  20  -5.007 -10.402 -27.743
  169    HG2  ARG  20          2HG       ARG  20  -4.362 -12.212 -26.478
  170    HG3  ARG  20          3HG       ARG  20  -5.808 -13.141 -26.881
  171    HD2  ARG  20          2HD       ARG  20  -4.511 -12.669 -29.315
  172    HD3  ARG  20          3HD       ARG  20  -3.235 -13.097 -28.175
  173    HE   ARG  20           HE       ARG  20  -4.043 -15.239 -28.128
  174   HH11  ARG  20          1HH1      ARG  20  -6.440 -13.144 -29.537
  175   HH12  ARG  20          2HH1      ARG  20  -7.480 -14.443 -30.020
  176   HH21  ARG  20          1HH2      ARG  20  -5.403 -16.957 -28.760
  177   HH22  ARG  20          2HH2      ARG  20  -6.889 -16.611 -29.577
  178    H    HIS  21           H        HIS  21  -5.053 -10.492 -25.269
  179    HA   HIS  21           HA       HIS  21  -5.972 -12.521 -23.406
  180    HB2  HIS  21          2HB       HIS  21  -3.852 -12.154 -22.259
  181    HB3  HIS  21          3HB       HIS  21  -3.576 -12.367 -23.985
  182    HD1  HIS  21           HD1      HIS  21  -1.511 -10.938 -22.190
  183    HD2  HIS  21           HD2      HIS  21  -4.456  -8.996 -24.386
  184    HE1  HIS  21           HE1      HIS  21  -0.662  -8.595 -22.530
  185    H    SER  22           H        SER  22  -6.357  -9.200 -23.854
  186    HA   SER  22           HA       SER  22  -6.306  -8.083 -21.343
  187    HB2  SER  22          2HB       SER  22  -6.987  -7.115 -23.717
  188    HB3  SER  22          3HB       SER  22  -8.617  -7.407 -23.111
  189    HG   SER  22           HG       SER  22  -8.347  -5.910 -21.596
  190    H    ARG  23           H        ARG  23  -8.499 -10.435 -22.601
  191    HA   ARG  23           HA       ARG  23 -10.619 -10.015 -20.748
  192    HB2  ARG  23          2HB       ARG  23  -9.855 -12.290 -22.562
  193    HB3  ARG  23          3HB       ARG  23 -11.202 -12.429 -21.440
  194    HG2  ARG  23          2HG       ARG  23 -12.376 -10.654 -22.506
  195    HG3  ARG  23          3HG       ARG  23 -10.973 -10.249 -23.497
  196    HD2  ARG  23          2HD       ARG  23 -12.595 -12.788 -23.624
  197    HD3  ARG  23          3HD       ARG  23 -12.597 -11.482 -24.808
  198    HE   ARG  23           HE       ARG  23  -9.983 -12.299 -24.638
  199   HH11  ARG  23          1HH1      ARG  23 -13.030 -13.799 -25.405
  200   HH12  ARG  23          2HH1      ARG  23 -12.334 -14.964 -26.481
  201   HH21  ARG  23          1HH2      ARG  23  -9.055 -13.829 -26.052
  202   HH22  ARG  23          2HH2      ARG  23 -10.072 -14.981 -26.848
  203    H    LEU  24           H        LEU  24  -7.619 -11.770 -20.664
  204    HA   LEU  24           HA       LEU  24  -8.370 -13.088 -18.160
  205    HB2  LEU  24          2HB       LEU  24  -5.683 -13.477 -19.333
  206    HB3  LEU  24          3HB       LEU  24  -6.763 -14.639 -18.564
  207    HG   LEU  24           HG       LEU  24  -7.289 -13.560 -21.320
  208   HD11  LEU  24          1HD1      LEU  24  -5.411 -15.704 -20.448
  209   HD12  LEU  24          2HD1      LEU  24  -5.247 -14.518 -21.742
  210   HD13  LEU  24          3HD1      LEU  24  -6.318 -15.904 -21.947
  211   HD21  LEU  24          1HD2      LEU  24  -8.549 -15.676 -21.517
  212   HD22  LEU  24          2HD2      LEU  24  -9.168 -14.625 -20.243
  213   HD23  LEU  24          3HD2      LEU  24  -8.179 -16.026 -19.829
  214    H    GLN  25           H        GLN  25  -6.763 -10.340 -19.292
  215    HA   GLN  25           HA       GLN  25  -4.970 -10.127 -17.013
  216    HB2  GLN  25          2HB       GLN  25  -3.774  -8.919 -18.455
  217    HB3  GLN  25          3HB       GLN  25  -5.069  -9.020 -19.640
  218    HG2  GLN  25          2HG       GLN  25  -4.593  -6.726 -19.304
  219    HG3  GLN  25          3HG       GLN  25  -6.138  -7.061 -18.522
  220   HE21  GLN  25          1HE2      GLN  25  -6.238  -5.707 -16.865
  221   HE22  GLN  25          2HE2      GLN  25  -5.025  -5.512 -15.651
  222    H    ARG  26           H        ARG  26  -7.918  -8.641 -18.250
  223    HA   ARG  26           HA       ARG  26  -8.186  -6.499 -16.532
  224    HB2  ARG  26          2HB       ARG  26  -9.839  -7.891 -18.354
  225    HB3  ARG  26          3HB       ARG  26 -10.742  -7.768 -16.850
  226    HG2  ARG  26          2HG       ARG  26  -9.427  -5.282 -17.636
  227    HG3  ARG  26          3HG       ARG  26 -10.630  -5.858 -18.792
  228    HD2  ARG  26          2HD       ARG  26 -12.114  -6.185 -16.685
  229    HD3  ARG  26          3HD       ARG  26 -10.977  -5.071 -15.927
  230    HE   ARG  26           HE       ARG  26 -11.866  -3.357 -17.171
  231   HH11  ARG  26          1HH1      ARG  26 -12.991  -6.408 -18.414
  232   HH12  ARG  26          2HH1      ARG  26 -14.161  -5.693 -19.473
  233   HH21  ARG  26          1HH2      ARG  26 -13.403  -2.404 -18.561
  234   HH22  ARG  26          2HH2      ARG  26 -14.394  -3.415 -19.556
  Start of MODEL    2
    1    H1   TYR   1           H        TYR   1   4.830  -0.829  -1.890
    2    HA   TYR   1           HA       TYR   1   1.995  -0.627  -1.505
    3    HB2  TYR   1          2HB       TYR   1   4.101  -0.424   0.176
    4    HB3  TYR   1          3HB       TYR   1   3.779   1.282  -0.111
    5    HD1  TYR   1           HD1      TYR   1   1.862  -1.841   0.654
    6    HD2  TYR   1           HD2      TYR   1   2.344   2.328   1.356
    7    HE1  TYR   1           HE1      TYR   1   0.042  -1.914   2.306
    8    HE2  TYR   1           HE2      TYR   1   0.526   2.266   3.011
    9    HH   TYR   1           HH       TYR   1  -1.474  -0.548   3.437
   10    H    TYR   2           H        TYR   2   4.533   1.455  -2.782
   11    HA   TYR   2           HA       TYR   2   2.560   3.549  -3.339
   12    HB2  TYR   2          2HB       TYR   2   5.004   4.505  -4.200
   13    HB3  TYR   2          3HB       TYR   2   4.263   4.835  -2.638
   14    HD1  TYR   2           HD1      TYR   2   5.285   4.114  -0.653
   15    HD2  TYR   2           HD2      TYR   2   6.595   2.524  -4.376
   16    HE1  TYR   2           HE1      TYR   2   7.183   3.037   0.482
   17    HE2  TYR   2           HE2      TYR   2   8.495   1.441  -3.251
   18    HH   TYR   2           HH       TYR   2   9.826   1.764  -1.165
   19    H    HIS   3           H        HIS   3   4.853   1.391  -4.917
   20    HA   HIS   3           HA       HIS   3   4.803   2.337  -7.504
   21    HB2  HIS   3          2HB       HIS   3   5.575   0.229  -8.188
   22    HB3  HIS   3          3HB       HIS   3   6.100   0.346  -6.510
   23    HD1  HIS   3           HD1      HIS   3   3.698  -0.571  -4.974
   24    HD2  HIS   3           HD2      HIS   3   4.893  -2.362  -8.527
   25    HE1  HIS   3           HE1      HIS   3   2.712  -2.883  -4.925
   26    H    PHE   4           H        PHE   4   2.267   0.844  -5.712
   27    HA   PHE   4           HA       PHE   4   0.684  -0.198  -7.763
   28    HB2  PHE   4          2HB       PHE   4   0.133   0.823  -5.007
   29    HB3  PHE   4          3HB       PHE   4  -1.226   0.481  -6.073
   30    HD1  PHE   4           HD1      PHE   4  -0.629  -1.889  -7.457
   31    HD2  PHE   4           HD2      PHE   4   0.435  -0.844  -3.471
   32    HE1  PHE   4           HE1      PHE   4  -0.490  -4.275  -6.873
   33    HE2  PHE   4           HE2      PHE   4   0.578  -3.228  -2.880
   34    HZ   PHE   4           HZ       PHE   4   0.116  -4.947  -4.582
   35    H    TRP   5           H        TRP   5   1.494   3.023  -7.063
   36    HA   TRP   5           HA       TRP   5  -0.837   4.344  -7.971
   37    HB2  TRP   5          2HB       TRP   5   0.453   6.333  -7.946
   38    HB3  TRP   5          3HB       TRP   5   1.087   5.342  -6.635
   39    HD1  TRP   5           HD1      TRP   5   3.124   3.519  -8.099
   40    HE1  TRP   5           HE1      TRP   5   5.238   4.499  -9.192
   41    HE3  TRP   5           HE3      TRP   5   1.577   8.359  -8.663
   42    HZ2  TRP   5           HZ2      TRP   5   6.132   6.993 -10.164
   43    HZ3  TRP   5           HZ3      TRP   5   3.122   9.980  -9.683
   44    HH2  TRP   5           HH2      TRP   5   5.352   9.309 -10.417
   45    H    HIS   6           H        HIS   6   2.014   3.098  -9.602
   46    HA   HIS   6           HA       HIS   6   0.875   3.963 -12.177
   47    HB2  HIS   6          2HB       HIS   6   3.546   4.072 -11.124
   48    HB3  HIS   6          3HB       HIS   6   3.525   3.050 -12.558
   49    HD1  HIS   6           HD1      HIS   6   3.014   4.182 -14.814
   50    HD2  HIS   6           HD2      HIS   6   3.012   6.789 -11.580
   51    HE1  HIS   6           HE1      HIS   6   3.022   6.490 -15.812
   52    H    ARG   7           H        ARG   7   2.303   1.256 -10.425
   53    HA   ARG   7           HA       ARG   7   2.110  -0.598 -12.579
   54    HB2  ARG   7          2HB       ARG   7   2.257  -1.182  -9.617
   55    HB3  ARG   7          3HB       ARG   7   2.635  -2.294 -10.926
   56    HG2  ARG   7          2HG       ARG   7   4.209   0.065 -11.230
   57    HG3  ARG   7          3HG       ARG   7   4.367  -0.532  -9.577
   58    HD2  ARG   7          2HD       ARG   7   4.641  -2.848 -10.791
   59    HD3  ARG   7          3HD       ARG   7   5.112  -1.833 -12.153
   60    HE   ARG   7           HE       ARG   7   6.553  -0.977  -9.933
   61   HH11  ARG   7          1HH1      ARG   7   6.272  -3.815 -11.928
   62   HH12  ARG   7          2HH1      ARG   7   7.913  -4.313 -11.678
   63   HH21  ARG   7          1HH2      ARG   7   8.715  -1.621  -9.596
   64   HH22  ARG   7          2HH2      ARG   7   9.301  -3.065 -10.350
   65    H    GLY   8           H        GLY   8   0.320  -0.552  -9.486
   66    HA2  GLY   8          2HA       GLY   8  -1.669  -2.348 -10.258
   67    HA3  GLY   8          3HA       GLY   8  -1.836  -1.151  -8.982
   68    H    VAL   9           H        VAL   9  -1.249   0.947 -11.142
   69    HA   VAL   9           HA       VAL   9  -4.039   1.278 -11.915
   70    HB   VAL   9           HB       VAL   9  -1.728   3.190 -12.274
   71   HG11  VAL   9          1HG1      VAL   9  -4.121   4.594 -12.131
   72   HG12  VAL   9          2HG1      VAL   9  -3.154   4.298 -13.577
   73   HG13  VAL   9          3HG1      VAL   9  -4.479   3.210 -13.163
   74   HG21  VAL   9          1HG2      VAL   9  -3.682   2.787 -10.040
   75   HG22  VAL   9          2HG2      VAL   9  -1.933   3.002  -9.964
   76   HG23  VAL   9          3HG2      VAL   9  -2.974   4.373 -10.346
   77    H    THR  10           H        THR  10  -1.163   0.122 -13.254
   78    HA   THR  10           HA       THR  10  -1.186   0.953 -15.884
   79    HB   THR  10           HB       THR  10   0.478  -0.616 -14.714
   80    HG1  THR  10           HG1      THR  10   0.605  -0.039 -16.946
   81   HG21  THR  10          1HG2      THR  10  -1.617  -2.292 -14.462
   82   HG22  THR  10          2HG2      THR  10   0.061  -2.834 -14.509
   83   HG23  THR  10          3HG2      THR  10  -0.927  -2.892 -15.969
   84    H    LYS  11           H        LYS  11  -3.459  -1.039 -14.247
   85    HA   LYS  11           HA       LYS  11  -4.511  -2.616 -16.256
   86    HB2  LYS  11          2HB       LYS  11  -5.905  -3.153 -14.600
   87    HB3  LYS  11          3HB       LYS  11  -5.277  -1.810 -13.653
   88    HG2  LYS  11          2HG       LYS  11  -6.950  -0.329 -14.619
   89    HG3  LYS  11          3HG       LYS  11  -7.569  -1.658 -15.602
   90    HD2  LYS  11          2HD       LYS  11  -7.397  -2.222 -12.723
   91    HD3  LYS  11          3HD       LYS  11  -8.544  -0.955 -13.164
   92    HE2  LYS  11          2HE       LYS  11  -9.985  -2.438 -13.994
   93    HE3  LYS  11          3HE       LYS  11  -8.728  -3.222 -14.950
   94    HZ1  LYS  11          1HZ       LYS  11  -9.952  -4.120 -12.577
   95    HZ2  LYS  11          2HZ       LYS  11  -8.295  -3.926 -12.298
   96    HZ3  LYS  11          3HZ       LYS  11  -8.830  -4.922 -13.557
   97    H    ARG  12           H        ARG  12  -5.148   0.788 -15.549
   98    HA   ARG  12           HA       ARG  12  -7.092   1.016 -17.672
   99    HB2  ARG  12          2HB       ARG  12  -7.589   3.062 -16.806
  100    HB3  ARG  12          3HB       ARG  12  -6.800   2.379 -15.390
  101    HG2  ARG  12          2HG       ARG  12  -4.656   3.421 -16.550
  102    HG3  ARG  12          3HG       ARG  12  -5.875   4.490 -17.249
  103    HD2  ARG  12          2HD       ARG  12  -6.086   3.992 -14.347
  104    HD3  ARG  12          3HD       ARG  12  -4.686   4.926 -14.874
  105    HE   ARG  12           HE       ARG  12  -6.094   6.654 -15.498
  106   HH11  ARG  12          1HH1      ARG  12  -7.936   3.846 -14.583
  107   HH12  ARG  12          2HH1      ARG  12  -9.444   4.697 -14.513
  108   HH21  ARG  12          1HH2      ARG  12  -8.072   7.786 -15.409
  109   HH22  ARG  12          2HH2      ARG  12  -9.520   6.937 -14.984
  110    H    SER  13           H        SER  13  -3.687   1.393 -17.295
  111    HA   SER  13           HA       SER  13  -3.346   3.066 -19.624
  112    HB2  SER  13          2HB       SER  13  -1.677   2.092 -17.450
  113    HB3  SER  13          3HB       SER  13  -0.864   1.955 -19.009
  114    HG   SER  13           HG       SER  13  -2.189   4.328 -18.251
  115    H    LEU  14           H        LEU  14  -3.645  -0.275 -18.973
  116    HA   LEU  14           HA       LEU  14  -2.414  -1.011 -21.531
  117    HB2  LEU  14          2HB       LEU  14  -2.548  -3.305 -20.747
  118    HB3  LEU  14          3HB       LEU  14  -1.711  -2.285 -19.579
  119    HG   LEU  14           HG       LEU  14  -4.154  -2.190 -18.515
  120   HD11  LEU  14          1HD1      LEU  14  -4.181  -5.026 -19.377
  121   HD12  LEU  14          2HD1      LEU  14  -4.769  -3.817 -20.518
  122   HD13  LEU  14          3HD1      LEU  14  -5.514  -3.962 -18.927
  123   HD21  LEU  14          1HD2      LEU  14  -1.834  -3.983 -18.173
  124   HD22  LEU  14          2HD2      LEU  14  -3.326  -4.471 -17.368
  125   HD23  LEU  14          3HD2      LEU  14  -2.611  -2.895 -17.023
  126    H    SER  15           H        SER  15  -5.467  -0.872 -19.850
  127    HA   SER  15           HA       SER  15  -7.208  -2.468 -21.022
  128    HB2  SER  15          2HB       SER  15  -7.358   0.407 -20.341
  129    HB3  SER  15          3HB       SER  15  -8.626  -0.190 -21.412
  130    HG   SER  15           HG       SER  15  -7.974  -1.644 -19.103
  131    HA   PRO  16           HA       PRO  16  -7.400  -0.066 -25.211
  132    HB2  PRO  16          2HB       PRO  16  -5.516   1.841 -25.638
  133    HB3  PRO  16          3HB       PRO  16  -7.072   2.183 -24.874
  134    HG2  PRO  16          2HG       PRO  16  -4.397   1.738 -23.607
  135    HG3  PRO  16          3HG       PRO  16  -5.631   2.951 -23.219
  136    HD2  PRO  16          2HD       PRO  16  -5.307   0.688 -21.768
  137    HD3  PRO  16          3HD       PRO  16  -6.890   1.462 -21.990
  138    H    HIS  17           H        HIS  17  -6.127  -2.382 -24.782
  139    HA   HIS  17           HA       HIS  17  -3.941  -2.292 -26.731
  140    HB2  HIS  17          2HB       HIS  17  -2.497  -3.656 -25.448
  141    HB3  HIS  17          3HB       HIS  17  -3.070  -2.418 -24.335
  142    HD1  HIS  17           HD1      HIS  17  -2.011  -5.300 -23.523
  143    HD2  HIS  17           HD2      HIS  17  -5.988  -4.125 -23.783
  144    HE1  HIS  17           HE1      HIS  17  -3.277  -6.878 -22.030
  145    H    ARG  18           H        ARG  18  -3.305  -4.957 -26.804
  146    HA   ARG  18           HA       ARG  18  -5.137  -6.060 -28.512
  147    HB2  ARG  18          2HB       ARG  18  -2.945  -7.150 -26.840
  148    HB3  ARG  18          3HB       ARG  18  -4.097  -8.317 -27.476
  149    HG2  ARG  18          2HG       ARG  18  -3.360  -8.096 -29.588
  150    HG3  ARG  18          3HG       ARG  18  -3.081  -6.361 -29.421
  151    HD2  ARG  18          2HD       ARG  18  -1.087  -6.966 -27.978
  152    HD3  ARG  18          3HD       ARG  18  -1.311  -8.625 -28.532
  153    HE   ARG  18           HE       ARG  18  -1.188  -6.867 -30.740
  154   HH11  ARG  18          1HH1      ARG  18   0.816  -8.324 -28.295
  155   HH12  ARG  18          2HH1      ARG  18   2.253  -8.282 -29.262
  156   HH21  ARG  18          1HH2      ARG  18   0.697  -6.807 -32.024
  157   HH22  ARG  18          2HH2      ARG  18   2.184  -7.418 -31.383
  158    HA   PRO  19           HA       PRO  19  -8.454  -6.804 -25.550
  159    HB2  PRO  19          2HB       PRO  19 -10.340  -7.268 -27.448
  160    HB3  PRO  19          3HB       PRO  19  -9.834  -5.642 -26.974
  161    HG2  PRO  19          2HG       PRO  19  -8.989  -7.276 -29.336
  162    HG3  PRO  19          3HG       PRO  19  -9.400  -5.553 -29.257
  163    HD2  PRO  19          2HD       PRO  19  -6.842  -6.440 -29.301
  164    HD3  PRO  19          3HD       PRO  19  -7.327  -4.967 -28.436
  165    H    ARG  20           H        ARG  20  -6.768  -8.837 -27.584
  166    HA   ARG  20           HA       ARG  20  -8.366 -11.134 -27.713
  167    HB2  ARG  20          2HB       ARG  20  -5.430 -11.458 -27.366
  168    HB3  ARG  20          3HB       ARG  20  -6.513 -12.201 -28.536
  169    HG2  ARG  20          2HG       ARG  20  -6.673  -9.846 -29.562
  170    HG3  ARG  20          3HG       ARG  20  -5.225  -9.503 -28.613
  171    HD2  ARG  20          2HD       ARG  20  -5.335 -11.936 -30.345
  172    HD3  ARG  20          3HD       ARG  20  -5.006 -10.360 -31.064
  173    HE   ARG  20           HE       ARG  20  -3.267 -10.550 -28.960
  174   HH11  ARG  20          1HH1      ARG  20  -3.947 -12.446 -31.799
  175   HH12  ARG  20          2HH1      ARG  20  -2.324 -13.033 -31.954
  176   HH21  ARG  20          1HH2      ARG  20  -1.127 -11.316 -29.154
  177   HH22  ARG  20          2HH2      ARG  20  -0.722 -12.390 -30.449
  178    H    HIS  21           H        HIS  21  -5.562 -10.697 -25.553
  179    HA   HIS  21           HA       HIS  21  -6.658 -12.661 -23.721
  180    HB2  HIS  21          2HB       HIS  21  -4.533 -12.455 -22.538
  181    HB3  HIS  21          3HB       HIS  21  -4.251 -12.679 -24.261
  182    HD1  HIS  21           HD1      HIS  21  -2.135 -11.397 -22.387
  183    HD2  HIS  21           HD2      HIS  21  -4.852  -9.269 -24.701
  184    HE1  HIS  21           HE1      HIS  21  -1.105  -9.126 -22.715
  185    H    SER  22           H        SER  22  -6.778  -9.311 -24.127
  186    HA   SER  22           HA       SER  22  -6.685  -8.224 -21.611
  187    HB2  SER  22          2HB       SER  22  -7.327  -7.227 -24.010
  188    HB3  SER  22          3HB       SER  22  -8.951  -7.355 -23.335
  189    HG   SER  22           HG       SER  22  -7.585  -5.348 -22.963
  190    H    ARG  23           H        ARG  23  -9.033 -10.404 -22.909
  191    HA   ARG  23           HA       ARG  23 -11.170  -9.870 -21.144
  192    HB2  ARG  23          2HB       ARG  23 -10.424 -12.417 -22.592
  193    HB3  ARG  23          3HB       ARG  23 -11.953 -12.148 -21.766
  194    HG2  ARG  23          2HG       ARG  23 -11.585  -9.977 -23.524
  195    HG3  ARG  23          3HG       ARG  23 -11.194 -11.446 -24.422
  196    HD2  ARG  23          2HD       ARG  23 -13.431 -12.248 -23.158
  197    HD3  ARG  23          3HD       ARG  23 -13.767 -10.524 -23.306
  198    HE   ARG  23           HE       ARG  23 -14.008 -10.792 -25.573
  199   HH11  ARG  23          1HH1      ARG  23 -12.544 -13.643 -24.213
  200   HH12  ARG  23          2HH1      ARG  23 -12.686 -14.570 -25.670
  201   HH21  ARG  23          1HH2      ARG  23 -14.200 -12.002 -27.497
  202   HH22  ARG  23          2HH2      ARG  23 -13.627 -13.634 -27.538
  203    H    LEU  24           H        LEU  24  -8.247 -11.748 -20.837
  204    HA   LEU  24           HA       LEU  24  -9.139 -12.849 -18.276
  205    HB2  LEU  24          2HB       LEU  24  -6.434 -13.435 -19.319
  206    HB3  LEU  24          3HB       LEU  24  -7.593 -14.493 -18.518
  207    HG   LEU  24           HG       LEU  24  -7.963 -13.580 -21.358
  208   HD11  LEU  24          1HD1      LEU  24  -6.235 -15.749 -20.266
  209   HD12  LEU  24          2HD1      LEU  24  -5.961 -14.667 -21.632
  210   HD13  LEU  24          3HD1      LEU  24  -7.095 -16.009 -21.784
  211   HD21  LEU  24          1HD2      LEU  24  -9.034 -16.072 -21.077
  212   HD22  LEU  24          2HD2      LEU  24  -9.933 -14.561 -20.937
  213   HD23  LEU  24          3HD2      LEU  24  -9.332 -15.367 -19.488
  214    H    GLN  25           H        GLN  25  -7.386 -10.248 -19.522
  215    HA   GLN  25           HA       GLN  25  -5.674  -9.959 -17.184
  216    HB2  GLN  25          2HB       GLN  25  -4.344  -8.963 -18.672
  217    HB3  GLN  25          3HB       GLN  25  -5.604  -9.041 -19.896
  218    HG2  GLN  25          2HG       GLN  25  -4.992  -6.775 -19.699
  219    HG3  GLN  25          3HG       GLN  25  -6.557  -6.943 -18.905
  220   HE21  GLN  25          1HE2      GLN  25  -6.507  -5.399 -17.402
  221   HE22  GLN  25          2HE2      GLN  25  -5.302  -5.244 -16.174
  222    H    ARG  26           H        ARG  26  -8.525  -8.511 -18.638
  223    HA   ARG  26           HA       ARG  26  -8.785  -6.171 -17.232
  224    HB2  ARG  26          2HB       ARG  26 -10.936  -6.130 -17.973
  225    HB3  ARG  26          3HB       ARG  26 -10.361  -7.461 -18.968
  226    HG2  ARG  26          2HG       ARG  26 -12.250  -8.411 -18.155
  227    HG3  ARG  26          3HG       ARG  26 -11.137  -8.875 -16.866
  228    HD2  ARG  26          2HD       ARG  26 -12.622  -7.929 -15.486
  229    HD3  ARG  26          3HD       ARG  26 -11.969  -6.395 -16.059
  230    HE   ARG  26           HE       ARG  26 -13.970  -7.202 -17.831
  231   HH11  ARG  26          1HH1      ARG  26 -13.632  -6.172 -14.522
  232   HH12  ARG  26          2HH1      ARG  26 -15.218  -5.481 -14.438
  233   HH21  ARG  26          1HH2      ARG  26 -16.061  -6.295 -17.732
  234   HH22  ARG  26          2HH2      ARG  26 -16.600  -5.553 -16.264
  Start of MODEL    3
    1    H1   TYR   1           H        TYR   1   4.944  -0.352  -0.696
    2    HA   TYR   1           HA       TYR   1   3.132  -1.732  -2.557
    3    HB2  TYR   1          2HB       TYR   1   1.225  -1.072  -1.111
    4    HB3  TYR   1          3HB       TYR   1   2.318  -2.205  -0.324
    5    HD1  TYR   1           HD1      TYR   1   3.862  -1.399   1.448
    6    HD2  TYR   1           HD2      TYR   1   0.878   1.120  -0.240
    7    HE1  TYR   1           HE1      TYR   1   4.094   0.141   3.351
    8    HE2  TYR   1           HE2      TYR   1   1.102   2.667   1.658
    9    HH   TYR   1           HH       TYR   1   2.182   3.129   3.540
   10    H    TYR   2           H        TYR   2   4.943   0.479  -3.006
   11    HA   TYR   2           HA       TYR   2   3.127   2.760  -3.302
   12    HB2  TYR   2          2HB       TYR   2   5.598   3.584  -4.217
   13    HB3  TYR   2          3HB       TYR   2   4.962   3.848  -2.598
   14    HD1  TYR   2           HD1      TYR   2   6.015   2.896  -0.730
   15    HD2  TYR   2           HD2      TYR   2   7.008   1.503  -4.626
   16    HE1  TYR   2           HE1      TYR   2   7.868   1.586   0.217
   17    HE2  TYR   2           HE2      TYR   2   8.864   0.188  -3.689
   18    HH   TYR   2           HH       TYR   2   9.222  -0.367  -0.351
   19    H    HIS   3           H        HIS   3   5.157   0.557  -5.153
   20    HA   HIS   3           HA       HIS   3   5.065   1.702  -7.657
   21    HB2  HIS   3          2HB       HIS   3   5.611  -0.410  -8.538
   22    HB3  HIS   3          3HB       HIS   3   6.247  -0.448  -6.896
   23    HD1  HIS   3           HD1      HIS   3   3.850  -1.267  -5.276
   24    HD2  HIS   3           HD2      HIS   3   4.733  -2.928  -8.980
   25    HE1  HIS   3           HE1      HIS   3   2.694  -3.500  -5.304
   26    H    PHE   4           H        PHE   4   2.501   0.278  -5.849
   27    HA   PHE   4           HA       PHE   4   0.743  -0.472  -7.886
   28    HB2  PHE   4          2HB       PHE   4   0.596  -0.740  -5.279
   29    HB3  PHE   4          3HB       PHE   4  -0.285   0.781  -5.367
   30    HD1  PHE   4           HD1      PHE   4  -2.506   0.877  -6.204
   31    HD2  PHE   4           HD2      PHE   4  -0.290  -2.752  -6.390
   32    HE1  PHE   4           HE1      PHE   4  -4.564  -0.347  -6.769
   33    HE2  PHE   4           HE2      PHE   4  -2.345  -3.982  -6.956
   34    HZ   PHE   4           HZ       PHE   4  -4.485  -2.779  -7.147
   35    H    TRP   5           H        TRP   5   1.848   2.610  -6.992
   36    HA   TRP   5           HA       TRP   5  -0.405   4.178  -7.676
   37    HB2  TRP   5          2HB       TRP   5   1.044   6.051  -7.570
   38    HB3  TRP   5          3HB       TRP   5   1.655   4.913  -6.372
   39    HD1  TRP   5           HD1      TRP   5   3.464   3.056  -8.073
   40    HE1  TRP   5           HE1      TRP   5   5.598   3.949  -9.201
   41    HE3  TRP   5           HE3      TRP   5   2.297   8.032  -8.195
   42    HZ2  TRP   5           HZ2      TRP   5   6.649   6.434 -10.031
   43    HZ3  TRP   5           HZ3      TRP   5   3.921   9.601  -9.172
   44    HH2  TRP   5           HH2      TRP   5   6.052   8.816 -10.070
   45    H    HIS   6           H        HIS   6   2.255   2.845  -9.542
   46    HA   HIS   6           HA       HIS   6   1.074   3.996 -11.982
   47    HB2  HIS   6          2HB       HIS   6   3.835   3.619 -11.092
   48    HB3  HIS   6          3HB       HIS   6   3.545   3.008 -12.719
   49    HD1  HIS   6           HD1      HIS   6   5.003   4.910 -13.716
   50    HD2  HIS   6           HD2      HIS   6   1.646   6.225 -11.651
   51    HE1  HIS   6           HE1      HIS   6   4.743   7.335 -14.330
   52    H    ARG   7           H        ARG   7   2.348   1.053 -10.515
   53    HA   ARG   7           HA       ARG   7   1.898  -0.603 -12.788
   54    HB2  ARG   7          2HB       ARG   7   2.140  -1.427  -9.890
   55    HB3  ARG   7          3HB       ARG   7   2.357  -2.461 -11.296
   56    HG2  ARG   7          2HG       ARG   7   4.100  -0.181 -11.450
   57    HG3  ARG   7          3HG       ARG   7   4.315  -1.030  -9.918
   58    HD2  ARG   7          2HD       ARG   7   5.260  -2.808 -10.904
   59    HD3  ARG   7          3HD       ARG   7   4.096  -2.806 -12.228
   60    HE   ARG   7           HE       ARG   7   5.634  -1.704 -13.498
   61   HH11  ARG   7          1HH1      ARG   7   6.442  -1.256 -10.141
   62   HH12  ARG   7          2HH1      ARG   7   7.923  -0.420 -10.475
   63   HH21  ARG   7          1HH2      ARG   7   7.581  -0.606 -13.949
   64   HH22  ARG   7          2HH2      ARG   7   8.569  -0.050 -12.641
   65    H    GLY   8           H        GLY   8   0.270  -0.659  -9.607
   66    HA2  GLY   8          2HA       GLY   8  -1.898  -2.224 -10.400
   67    HA3  GLY   8          3HA       GLY   8  -1.902  -1.122  -9.031
   68    H    VAL   9           H        VAL   9  -1.247   1.087 -11.057
   69    HA   VAL   9           HA       VAL   9  -4.034   1.698 -11.651
   70    HB   VAL   9           HB       VAL   9  -1.591   3.444 -11.985
   71   HG11  VAL   9          1HG1      VAL   9  -3.845   5.021 -11.615
   72   HG12  VAL   9          2HG1      VAL   9  -2.979   4.756 -13.130
   73   HG13  VAL   9          3HG1      VAL   9  -4.372   3.754 -12.722
   74   HG21  VAL   9          1HG2      VAL   9  -2.651   4.566  -9.913
   75   HG22  VAL   9          2HG2      VAL   9  -3.468   3.019  -9.689
   76   HG23  VAL   9          3HG2      VAL   9  -1.706   3.094  -9.689
   77    H    THR  10           H        THR  10  -1.324   0.438 -13.227
   78    HA   THR  10           HA       THR  10  -1.555   1.499 -15.807
   79    HB   THR  10           HB       THR  10   0.267  -0.068 -14.805
   80    HG1  THR  10           HG1      THR  10   0.536  -0.910 -17.108
   81   HG21  THR  10          1HG2      THR  10  -1.695  -1.884 -14.663
   82   HG22  THR  10          2HG2      THR  10  -0.004  -2.326 -14.903
   83   HG23  THR  10          3HG2      THR  10  -1.099  -2.244 -16.283
   84    H    LYS  11           H        LYS  11  -3.688  -0.481 -14.088
   85    HA   LYS  11           HA       LYS  11  -4.779  -2.187 -15.959
   86    HB2  LYS  11          2HB       LYS  11  -6.140  -2.604 -14.242
   87    HB3  LYS  11          3HB       LYS  11  -5.502  -1.192 -13.409
   88    HG2  LYS  11          2HG       LYS  11  -7.198   0.208 -14.444
   89    HG3  LYS  11          3HG       LYS  11  -7.823  -1.186 -15.328
   90    HD2  LYS  11          2HD       LYS  11  -7.612  -1.570 -12.425
   91    HD3  LYS  11          3HD       LYS  11  -8.759  -0.323 -12.921
   92    HE2  LYS  11          2HE       LYS  11  -8.793  -2.955 -14.319
   93    HE3  LYS  11          3HE       LYS  11  -9.492  -2.841 -12.705
   94    HZ1  LYS  11          1HZ       LYS  11 -10.647  -0.757 -13.792
   95    HZ2  LYS  11          2HZ       LYS  11 -11.300  -2.310 -13.942
   96    HZ3  LYS  11          3HZ       LYS  11 -10.401  -1.645 -15.211
   97    H    ARG  12           H        ARG  12  -5.440   1.254 -15.471
   98    HA   ARG  12           HA       ARG  12  -7.383   1.311 -17.613
   99    HB2  ARG  12          2HB       ARG  12  -7.278   3.825 -17.149
  100    HB3  ARG  12          3HB       ARG  12  -7.892   2.794 -15.863
  101    HG2  ARG  12          2HG       ARG  12  -6.265   3.391 -14.467
  102    HG3  ARG  12          3HG       ARG  12  -5.019   3.193 -15.701
  103    HD2  ARG  12          2HD       ARG  12  -5.147   5.506 -14.905
  104    HD3  ARG  12          3HD       ARG  12  -5.550   5.381 -16.617
  105    HE   ARG  12           HE       ARG  12  -7.861   5.278 -14.937
  106   HH11  ARG  12          1HH1      ARG  12  -5.565   7.413 -16.452
  107   HH12  ARG  12          2HH1      ARG  12  -6.649   8.764 -16.489
  108   HH21  ARG  12          1HH2      ARG  12  -9.297   7.049 -14.981
  109   HH22  ARG  12          2HH2      ARG  12  -8.771   8.556 -15.651
  110    H    SER  13           H        SER  13  -4.011   1.586 -17.310
  111    HA   SER  13           HA       SER  13  -3.685   3.221 -19.694
  112    HB2  SER  13          2HB       SER  13  -2.064   3.727 -18.064
  113    HB3  SER  13          3HB       SER  13  -1.775   2.026 -17.695
  114    HG   SER  13           HG       SER  13  -0.181   3.215 -19.068
  115    H    LEU  14           H        LEU  14  -3.939  -0.071 -18.856
  116    HA   LEU  14           HA       LEU  14  -2.605  -0.953 -21.310
  117    HB2  LEU  14          2HB       LEU  14  -2.780  -3.194 -20.406
  118    HB3  LEU  14          3HB       LEU  14  -2.019  -2.109 -19.244
  119    HG   LEU  14           HG       LEU  14  -4.475  -1.956 -18.292
  120   HD11  LEU  14          1HD1      LEU  14  -5.946  -3.512 -18.918
  121   HD12  LEU  14          2HD1      LEU  14  -4.729  -4.787 -18.934
  122   HD13  LEU  14          3HD1      LEU  14  -4.918  -3.732 -20.334
  123   HD21  LEU  14          1HD2      LEU  14  -2.986  -2.711 -16.754
  124   HD22  LEU  14          2HD2      LEU  14  -2.284  -3.901 -17.851
  125   HD23  LEU  14          3HD2      LEU  14  -3.828  -4.229 -17.062
  126    H    SER  15           H        SER  15  -5.741  -0.780 -19.768
  127    HA   SER  15           HA       SER  15  -7.408  -2.426 -20.978
  128    HB2  SER  15          2HB       SER  15  -8.490   0.195 -21.508
  129    HB3  SER  15          3HB       SER  15  -8.963  -0.974 -20.274
  130    HG   SER  15           HG       SER  15  -7.358  -0.136 -18.929
  131    HA   PRO  16           HA       PRO  16  -7.442  -0.122 -25.226
  132    HB2  PRO  16          2HB       PRO  16  -5.562   1.798 -25.615
  133    HB3  PRO  16          3HB       PRO  16  -7.155   2.138 -24.928
  134    HG2  PRO  16          2HG       PRO  16  -4.534   1.755 -23.534
  135    HG3  PRO  16          3HG       PRO  16  -5.797   2.962 -23.229
  136    HD2  PRO  16          2HD       PRO  16  -5.513   0.736 -21.713
  137    HD3  PRO  16          3HD       PRO  16  -7.092   1.485 -22.022
  138    H    HIS  17           H        HIS  17  -6.174  -2.413 -24.705
  139    HA   HIS  17           HA       HIS  17  -3.917  -2.349 -26.568
  140    HB2  HIS  17          2HB       HIS  17  -2.481  -3.622 -25.191
  141    HB3  HIS  17          3HB       HIS  17  -3.121  -2.363 -24.139
  142    HD1  HIS  17           HD1      HIS  17  -2.010  -5.168 -23.175
  143    HD2  HIS  17           HD2      HIS  17  -6.011  -4.149 -23.639
  144    HE1  HIS  17           HE1      HIS  17  -3.282  -6.734 -21.673
  145    H    ARG  18           H        ARG  18  -3.223  -4.990 -26.540
  146    HA   ARG  18           HA       ARG  18  -5.002  -6.197 -28.238
  147    HB2  ARG  18          2HB       ARG  18  -2.779  -7.149 -26.534
  148    HB3  ARG  18          3HB       ARG  18  -3.900  -8.385 -27.091
  149    HG2  ARG  18          2HG       ARG  18  -3.102  -8.327 -29.170
  150    HG3  ARG  18          3HG       ARG  18  -3.069  -6.563 -29.204
  151    HD2  ARG  18          2HD       ARG  18  -1.035  -8.177 -27.692
  152    HD3  ARG  18          3HD       ARG  18  -0.836  -7.780 -29.398
  153    HE   ARG  18           HE       ARG  18  -1.384  -5.415 -28.022
  154   HH11  ARG  18          1HH1      ARG  18   1.113  -7.833 -28.214
  155   HH12  ARG  18          2HH1      ARG  18   2.387  -6.737 -27.791
  156   HH21  ARG  18          1HH2      ARG  18   0.284  -3.963 -27.464
  157   HH22  ARG  18          2HH2      ARG  18   1.914  -4.537 -27.363
  158    HA   PRO  19           HA       PRO  19  -8.328  -6.953 -25.291
  159    HB2  PRO  19          2HB       PRO  19 -10.174  -7.544 -27.192
  160    HB3  PRO  19          3HB       PRO  19  -9.727  -5.887 -26.769
  161    HG2  PRO  19          2HG       PRO  19  -8.801  -7.571 -29.064
  162    HG3  PRO  19          3HG       PRO  19  -9.269  -5.860 -29.048
  163    HD2  PRO  19          2HD       PRO  19  -6.683  -6.664 -29.034
  164    HD3  PRO  19          3HD       PRO  19  -7.226  -5.179 -28.225
  165    H    ARG  20           H        ARG  20  -6.551  -8.998 -27.235
  166    HA   ARG  20           HA       ARG  20  -8.070 -11.349 -27.309
  167    HB2  ARG  20          2HB       ARG  20  -5.132 -11.566 -26.900
  168    HB3  ARG  20          3HB       ARG  20  -6.169 -12.380 -28.064
  169    HG2  ARG  20          2HG       ARG  20  -6.382 -10.070 -29.173
  170    HG3  ARG  20          3HG       ARG  20  -4.969  -9.644 -28.205
  171    HD2  ARG  20          2HD       ARG  20  -4.013 -10.368 -30.183
  172    HD3  ARG  20          3HD       ARG  20  -3.954 -11.818 -29.182
  173    HE   ARG  20           HE       ARG  20  -6.324 -12.002 -30.531
  174   HH11  ARG  20          1HH1      ARG  20  -2.982 -11.639 -31.439
  175   HH12  ARG  20          2HH1      ARG  20  -3.164 -12.480 -32.942
  176   HH21  ARG  20          1HH2      ARG  20  -6.576 -13.111 -32.509
  177   HH22  ARG  20          2HH2      ARG  20  -5.209 -13.316 -33.551
  178    H    HIS  21           H        HIS  21  -5.322 -10.745 -25.115
  179    HA   HIS  21           HA       HIS  21  -6.384 -12.684 -23.238
  180    HB2  HIS  21          2HB       HIS  21  -4.293 -12.361 -22.023
  181    HB3  HIS  21          3HB       HIS  21  -3.968 -12.632 -23.733
  182    HD1  HIS  21           HD1      HIS  21  -1.935 -11.212 -21.866
  183    HD2  HIS  21           HD2      HIS  21  -4.684  -9.262 -24.296
  184    HE1  HIS  21           HE1      HIS  21  -0.982  -8.917 -22.251
  185    H    SER  22           H        SER  22  -6.615  -9.355 -23.760
  186    HA   SER  22           HA       SER  22  -6.616  -8.193 -21.271
  187    HB2  SER  22          2HB       SER  22  -7.200  -7.269 -23.704
  188    HB3  SER  22          3HB       SER  22  -8.847  -7.448 -23.102
  189    HG   SER  22           HG       SER  22  -8.530  -5.866 -21.721
  190    H    ARG  23           H        ARG  23  -8.854 -10.483 -22.565
  191    HA   ARG  23           HA       ARG  23 -11.038  -9.951 -20.833
  192    HB2  ARG  23          2HB       ARG  23 -10.226 -12.294 -22.526
  193    HB3  ARG  23          3HB       ARG  23 -11.594 -12.418 -21.428
  194    HG2  ARG  23          2HG       ARG  23 -12.707 -10.588 -22.557
  195    HG3  ARG  23          3HG       ARG  23 -11.313 -10.372 -23.618
  196    HD2  ARG  23          2HD       ARG  23 -13.062 -12.824 -23.453
  197    HD3  ARG  23          3HD       ARG  23 -13.087 -11.617 -24.738
  198    HE   ARG  23           HE       ARG  23 -10.509 -12.484 -24.698
  199   HH11  ARG  23          1HH1      ARG  23 -13.605 -14.054 -24.971
  200   HH12  ARG  23          2HH1      ARG  23 -13.003 -15.361 -25.936
  201   HH21  ARG  23          1HH2      ARG  23  -9.705 -14.199 -25.969
  202   HH22  ARG  23          2HH2      ARG  23 -10.785 -15.443 -26.503
  203    H    LEU  24           H        LEU  24  -8.092 -11.777 -20.510
  204    HA   LEU  24           HA       LEU  24  -9.000 -12.942 -17.983
  205    HB2  LEU  24          2HB       LEU  24  -6.266 -13.447 -18.995
  206    HB3  LEU  24          3HB       LEU  24  -7.409 -14.544 -18.223
  207    HG   LEU  24           HG       LEU  24  -7.769 -13.601 -21.055
  208   HD11  LEU  24          1HD1      LEU  24  -6.830 -15.998 -21.506
  209   HD12  LEU  24          2HD1      LEU  24  -5.997 -15.741 -19.974
  210   HD13  LEU  24          3HD1      LEU  24  -5.734 -14.629 -21.318
  211   HD21  LEU  24          1HD2      LEU  24  -9.459 -14.921 -19.380
  212   HD22  LEU  24          2HD2      LEU  24  -8.651 -16.261 -20.193
  213   HD23  LEU  24          3HD2      LEU  24  -9.493 -15.034 -21.140
  214    H    GLN  25           H        GLN  25  -7.269 -10.290 -19.165
  215    HA   GLN  25           HA       GLN  25  -5.602  -9.999 -16.798
  216    HB2  GLN  25          2HB       GLN  25  -4.284  -8.957 -18.266
  217    HB3  GLN  25          3HB       GLN  25  -5.545  -9.007 -19.491
  218    HG2  GLN  25          2HG       GLN  25  -4.935  -6.741 -19.202
  219    HG3  GLN  25          3HG       GLN  25  -6.517  -6.952 -18.453
  220   HE21  GLN  25          1HE2      GLN  25  -6.518  -5.464 -16.893
  221   HE22  GLN  25          2HE2      GLN  25  -5.344  -5.345 -15.631
  222    H    ARG  26           H        ARG  26  -8.451  -8.556 -18.274
  223    HA   ARG  26           HA       ARG  26  -8.767  -6.278 -16.762
  224    HB2  ARG  26          2HB       ARG  26 -10.666  -6.175 -17.928
  225    HB3  ARG  26          3HB       ARG  26 -10.362  -7.807 -18.508
  226    HG2  ARG  26          2HG       ARG  26 -11.575  -8.714 -16.588
  227    HG3  ARG  26          3HG       ARG  26 -11.886  -7.074 -16.017
  228    HD2  ARG  26          2HD       ARG  26 -13.672  -6.931 -17.328
  229    HD3  ARG  26          3HD       ARG  26 -12.679  -7.260 -18.747
  230    HE   ARG  26           HE       ARG  26 -13.164  -9.697 -17.514
  231   HH11  ARG  26          1HH1      ARG  26 -14.994  -7.165 -19.050
  232   HH12  ARG  26          2HH1      ARG  26 -16.248  -8.226 -19.601
  233   HH21  ARG  26          1HH2      ARG  26 -14.809 -11.104 -18.233
  234   HH22  ARG  26          2HH2      ARG  26 -16.142 -10.467 -19.135
  Start of MODEL    4
    1    H1   TYR   1           H        TYR   1   4.011  -1.390  -2.808
    2    HA   TYR   1           HA       TYR   1   1.602  -0.811  -1.236
    3    HB2  TYR   1          2HB       TYR   1   4.509  -0.112  -0.827
    4    HB3  TYR   1          3HB       TYR   1   3.216   0.590   0.140
    5    HD1  TYR   1           HD1      TYR   1   2.731  -0.422   2.153
    6    HD2  TYR   1           HD2      TYR   1   4.402  -2.781  -0.969
    7    HE1  TYR   1           HE1      TYR   1   2.804  -2.361   3.665
    8    HE2  TYR   1           HE2      TYR   1   4.479  -4.726   0.534
    9    HH   TYR   1           HH       TYR   1   3.669  -5.555   2.515
   10    H    TYR   2           H        TYR   2   4.246   1.029  -2.775
   11    HA   TYR   2           HA       TYR   2   2.380   3.251  -3.190
   12    HB2  TYR   2          2HB       TYR   2   4.849   4.144  -4.021
   13    HB3  TYR   2          3HB       TYR   2   4.159   4.391  -2.421
   14    HD1  TYR   2           HD1      TYR   2   5.211   3.507  -0.525
   15    HD2  TYR   2           HD2      TYR   2   6.318   2.082  -4.378
   16    HE1  TYR   2           HE1      TYR   2   7.080   2.262   0.479
   17    HE2  TYR   2           HE2      TYR   2   8.189   0.833  -3.385
   18    HH   TYR   2           HH       TYR   2   9.236   0.263  -1.516
   19    H    HIS   3           H        HIS   3   4.554   1.080  -4.916
   20    HA   HIS   3           HA       HIS   3   4.525   2.171  -7.444
   21    HB2  HIS   3          2HB       HIS   3   5.008  -0.037  -8.289
   22    HB3  HIS   3          3HB       HIS   3   5.825   0.161  -6.741
   23    HD1  HIS   3           HD1      HIS   3   3.084  -1.749  -8.408
   24    HD2  HIS   3           HD2      HIS   3   4.888  -1.486  -4.675
   25    HE1  HIS   3           HE1      HIS   3   2.256  -3.744  -7.119
   26    H    PHE   4           H        PHE   4   1.937   0.690  -5.712
   27    HA   PHE   4           HA       PHE   4   0.286  -0.150  -7.799
   28    HB2  PHE   4          2HB       PHE   4  -0.290   0.846  -5.018
   29    HB3  PHE   4          3HB       PHE   4  -1.592   0.386  -6.110
   30    HD1  PHE   4           HD1      PHE   4   0.275  -0.746  -3.485
   31    HD2  PHE   4           HD2      PHE   4  -0.990  -1.981  -7.357
   32    HE1  PHE   4           HE1      PHE   4   0.562  -3.099  -2.825
   33    HE2  PHE   4           HE2      PHE   4  -0.706  -4.336  -6.703
   34    HZ   PHE   4           HZ       PHE   4   0.070  -4.897  -4.434
   35    H    TRP   5           H        TRP   5   1.255   2.984  -6.924
   36    HA   TRP   5           HA       TRP   5  -1.016   4.464  -7.733
   37    HB2  TRP   5          2HB       TRP   5   0.366   6.385  -7.603
   38    HB3  TRP   5          3HB       TRP   5   0.965   5.289  -6.361
   39    HD1  TRP   5           HD1      TRP   5   2.904   3.466  -7.946
   40    HE1  TRP   5           HE1      TRP   5   5.051   4.410  -9.008
   41    HE3  TRP   5           HE3      TRP   5   1.572   8.394  -8.225
   42    HZ2  TRP   5           HZ2      TRP   5   6.047   6.912  -9.851
   43    HZ3  TRP   5           HZ3      TRP   5   3.180   9.998  -9.172
   44    HH2  TRP   5           HH2      TRP   5   5.371   9.271  -9.967
   45    H    HIS   6           H        HIS   6   1.763   3.182  -9.460
   46    HA   HIS   6           HA       HIS   6   0.647   4.245 -11.970
   47    HB2  HIS   6          2HB       HIS   6   3.331   4.160 -10.938
   48    HB3  HIS   6          3HB       HIS   6   3.245   3.241 -12.438
   49    HD1  HIS   6           HD1      HIS   6   2.196   6.677 -11.178
   50    HD2  HIS   6           HD2      HIS   6   3.500   4.787 -14.641
   51    HE1  HIS   6           HE1      HIS   6   2.453   8.505 -12.886
   52    H    ARG   7           H        ARG   7   1.960   1.380 -10.388
   53    HA   ARG   7           HA       ARG   7   1.671  -0.338 -12.641
   54    HB2  ARG   7          2HB       ARG   7   1.798  -1.100  -9.718
   55    HB3  ARG   7          3HB       ARG   7   2.127  -2.147 -11.092
   56    HG2  ARG   7          2HG       ARG   7   3.737   0.269 -10.293
   57    HG3  ARG   7          3HG       ARG   7   4.182  -1.416 -10.014
   58    HD2  ARG   7          2HD       ARG   7   3.623  -1.297 -12.727
   59    HD3  ARG   7          3HD       ARG   7   4.468   0.214 -12.396
   60    HE   ARG   7           HE       ARG   7   5.920  -1.796 -11.165
   61   HH11  ARG   7          1HH1      ARG   7   4.958  -0.923 -14.395
   62   HH12  ARG   7          2HH1      ARG   7   6.353  -1.629 -15.142
   63   HH21  ARG   7          1HH2      ARG   7   7.761  -2.730 -12.136
   64   HH22  ARG   7          2HH2      ARG   7   7.946  -2.657 -13.856
   65    H    GLY   8           H        GLY   8  -0.103  -0.387  -9.539
   66    HA2  GLY   8          2HA       GLY   8  -2.178  -2.041 -10.403
   67    HA3  GLY   8          3HA       GLY   8  -2.283  -0.916  -9.057
   68    H    VAL   9           H        VAL   9  -1.606   1.277 -11.093
   69    HA   VAL   9           HA       VAL   9  -4.381   1.784 -11.826
   70    HB   VAL   9           HB       VAL   9  -1.984   3.604 -12.083
   71   HG11  VAL   9          1HG1      VAL   9  -3.360   4.850 -13.313
   72   HG12  VAL   9          2HG1      VAL   9  -4.737   3.807 -12.951
   73   HG13  VAL   9          3HG1      VAL   9  -4.302   5.112 -11.846
   74   HG21  VAL   9          1HG2      VAL   9  -3.174   4.727 -10.083
   75   HG22  VAL   9          2HG2      VAL   9  -3.948   3.157  -9.865
   76   HG23  VAL   9          3HG2      VAL   9  -2.191   3.293  -9.789
   77    H    THR  10           H        THR  10  -1.564   0.583 -13.251
   78    HA   THR  10           HA       THR  10  -1.691   1.588 -15.856
   79    HB   THR  10           HB       THR  10   0.106   0.072 -14.748
   80    HG1  THR  10           HG1      THR  10   0.868   0.218 -16.710
   81   HG21  THR  10          1HG2      THR  10  -1.846  -1.770 -14.660
   82   HG22  THR  10          2HG2      THR  10  -0.136  -2.186 -14.776
   83   HG23  THR  10          3HG2      THR  10  -1.140  -2.169 -16.226
   84    H    LYS  11           H        LYS  11  -3.866  -0.418 -14.211
   85    HA   LYS  11           HA       LYS  11  -4.841  -2.157 -16.113
   86    HB2  LYS  11          2HB       LYS  11  -6.274  -2.585 -14.459
   87    HB3  LYS  11          3HB       LYS  11  -5.695  -1.160 -13.607
   88    HG2  LYS  11          2HG       LYS  11  -7.364   0.209 -14.728
   89    HG3  LYS  11          3HG       LYS  11  -7.930  -1.202 -15.626
   90    HD2  LYS  11          2HD       LYS  11  -8.712  -2.252 -13.638
   91    HD3  LYS  11          3HD       LYS  11  -7.907  -1.059 -12.616
   92    HE2  LYS  11          2HE       LYS  11  -9.404   0.667 -13.366
   93    HE3  LYS  11          3HE       LYS  11 -10.126  -0.416 -14.554
   94    HZ1  LYS  11          1HZ       LYS  11 -11.324  -1.499 -12.980
   95    HZ2  LYS  11          2HZ       LYS  11 -11.228   0.008 -12.219
   96    HZ3  LYS  11          3HZ       LYS  11 -10.190  -1.243 -11.751
   97    H    ARG  12           H        ARG  12  -5.576   1.276 -15.692
   98    HA   ARG  12           HA       ARG  12  -7.432   1.282 -17.911
   99    HB2  ARG  12          2HB       ARG  12  -7.364   3.808 -17.476
  100    HB3  ARG  12          3HB       ARG  12  -8.032   2.784 -16.211
  101    HG2  ARG  12          2HG       ARG  12  -6.445   3.356 -14.747
  102    HG3  ARG  12          3HG       ARG  12  -5.161   3.250 -15.954
  103    HD2  ARG  12          2HD       ARG  12  -5.475   5.535 -15.044
  104    HD3  ARG  12          3HD       ARG  12  -5.693   5.439 -16.791
  105    HE   ARG  12           HE       ARG  12  -8.146   5.187 -15.325
  106   HH11  ARG  12          1HH1      ARG  12  -5.855   7.429 -16.682
  107   HH12  ARG  12          2HH1      ARG  12  -7.006   8.716 -16.833
  108   HH21  ARG  12          1HH2      ARG  12  -9.671   6.873 -15.519
  109   HH22  ARG  12          2HH2      ARG  12  -9.176   8.398 -16.171
  110    H    SER  13           H        SER  13  -4.072   1.678 -17.447
  111    HA   SER  13           HA       SER  13  -3.668   3.271 -19.836
  112    HB2  SER  13          2HB       SER  13  -2.107   2.561 -17.513
  113    HB3  SER  13          3HB       SER  13  -1.197   2.227 -18.987
  114    HG   SER  13           HG       SER  13  -0.851   4.357 -18.381
  115    H    LEU  14           H        LEU  14  -3.925  -0.025 -19.002
  116    HA   LEU  14           HA       LEU  14  -2.516  -0.892 -21.420
  117    HB2  LEU  14          2HB       LEU  14  -2.684  -3.137 -20.513
  118    HB3  LEU  14          3HB       LEU  14  -1.950  -2.038 -19.347
  119    HG   LEU  14           HG       LEU  14  -4.441  -1.911 -18.450
  120   HD11  LEU  14          1HD1      LEU  14  -5.837  -3.576 -19.004
  121   HD12  LEU  14          2HD1      LEU  14  -4.544  -4.771 -19.091
  122   HD13  LEU  14          3HD1      LEU  14  -4.840  -3.693 -20.455
  123   HD21  LEU  14          1HD2      LEU  14  -2.988  -2.585 -16.850
  124   HD22  LEU  14          2HD2      LEU  14  -2.189  -3.749 -17.907
  125   HD23  LEU  14          3HD2      LEU  14  -3.739  -4.150 -17.166
  126    H    SER  15           H        SER  15  -5.686  -0.729 -19.962
  127    HA   SER  15           HA       SER  15  -7.314  -2.407 -21.178
  128    HB2  SER  15          2HB       SER  15  -8.476   0.115 -21.814
  129    HB3  SER  15          3HB       SER  15  -8.838  -0.939 -20.447
  130    HG   SER  15           HG       SER  15  -8.058   1.294 -20.002
  131    HA   PRO  16           HA       PRO  16  -7.253  -0.209 -25.480
  132    HB2  PRO  16          2HB       PRO  16  -5.387   1.725 -25.865
  133    HB3  PRO  16          3HB       PRO  16  -7.002   2.061 -25.230
  134    HG2  PRO  16          2HG       PRO  16  -4.415   1.745 -23.757
  135    HG3  PRO  16          3HG       PRO  16  -5.701   2.942 -23.516
  136    HD2  PRO  16          2HD       PRO  16  -5.430   0.758 -21.939
  137    HD3  PRO  16          3HD       PRO  16  -7.010   1.479 -22.308
  138    H    HIS  17           H        HIS  17  -5.973  -2.471 -24.870
  139    HA   HIS  17           HA       HIS  17  -3.663  -2.419 -26.668
  140    HB2  HIS  17          2HB       HIS  17  -2.259  -3.653 -25.223
  141    HB3  HIS  17          3HB       HIS  17  -2.945  -2.383 -24.214
  142    HD1  HIS  17           HD1      HIS  17  -1.840  -5.165 -23.173
  143    HD2  HIS  17           HD2      HIS  17  -5.832  -4.182 -23.769
  144    HE1  HIS  17           HE1      HIS  17  -3.144  -6.716 -21.684
  145    H    ARG  18           H        ARG  18  -2.946  -5.053 -26.569
  146    HA   ARG  18           HA       ARG  18  -4.658  -6.307 -28.302
  147    HB2  ARG  18          2HB       ARG  18  -2.491  -7.216 -26.501
  148    HB3  ARG  18          3HB       ARG  18  -3.577  -8.465 -27.093
  149    HG2  ARG  18          2HG       ARG  18  -2.861  -8.269 -29.241
  150    HG3  ARG  18          3HG       ARG  18  -2.480  -6.554 -29.074
  151    HD2  ARG  18          2HD       ARG  18  -0.424  -6.977 -28.087
  152    HD3  ARG  18          3HD       ARG  18  -0.888  -8.604 -27.589
  153    HE   ARG  18           HE       ARG  18  -0.791  -8.268 -30.437
  154   HH11  ARG  18          1HH1      ARG  18   1.073  -8.967 -27.582
  155   HH12  ARG  18          2HH1      ARG  18   2.307  -9.829 -28.440
  156   HH21  ARG  18          1HH2      ARG  18   0.827  -9.400 -31.579
  157   HH22  ARG  18          2HH2      ARG  18   2.166 -10.074 -30.714
  158    HA   PRO  19           HA       PRO  19  -8.071  -7.040 -25.448
  159    HB2  PRO  19          2HB       PRO  19  -9.850  -7.680 -27.396
  160    HB3  PRO  19          3HB       PRO  19  -9.431  -6.012 -26.988
  161    HG2  PRO  19          2HG       PRO  19  -8.418  -7.727 -29.223
  162    HG3  PRO  19          3HG       PRO  19  -8.900  -6.021 -29.252
  163    HD2  PRO  19          2HD       PRO  19  -6.310  -6.801 -29.141
  164    HD3  PRO  19          3HD       PRO  19  -6.891  -5.308 -28.377
  165    H    ARG  20           H        ARG  20  -6.217  -9.103 -27.301
  166    HA   ARG  20           HA       ARG  20  -7.716 -11.468 -27.377
  167    HB2  ARG  20          2HB       ARG  20  -4.789 -11.654 -26.886
  168    HB3  ARG  20          3HB       ARG  20  -5.787 -12.495 -28.064
  169    HG2  ARG  20          2HG       ARG  20  -5.987 -10.205 -29.216
  170    HG3  ARG  20          3HG       ARG  20  -4.606  -9.751 -28.217
  171    HD2  ARG  20          2HD       ARG  20  -3.171 -11.089 -29.354
  172    HD3  ARG  20          3HD       ARG  20  -4.398 -12.315 -29.672
  173    HE   ARG  20           HE       ARG  20  -5.028 -10.038 -31.166
  174   HH11  ARG  20          1HH1      ARG  20  -2.571 -12.500 -31.003
  175   HH12  ARG  20          2HH1      ARG  20  -2.199 -12.423 -32.694
  176   HH21  ARG  20          1HH2      ARG  20  -4.547  -9.928 -33.393
  177   HH22  ARG  20          2HH2      ARG  20  -3.323 -10.960 -34.052
  178    H    HIS  21           H        HIS  21  -5.034 -10.801 -25.121
  179    HA   HIS  21           HA       HIS  21  -6.129 -12.716 -23.239
  180    HB2  HIS  21          2HB       HIS  21  -4.074 -12.356 -21.975
  181    HB3  HIS  21          3HB       HIS  21  -3.700 -12.649 -23.671
  182    HD1  HIS  21           HD1      HIS  21  -1.737 -11.179 -21.764
  183    HD2  HIS  21           HD2      HIS  21  -4.427  -9.297 -24.311
  184    HE1  HIS  21           HE1      HIS  21  -0.795  -8.881 -22.159
  185    H    SER  22           H        SER  22  -6.379  -9.401 -23.827
  186    HA   SER  22           HA       SER  22  -6.455  -8.192 -21.363
  187    HB2  SER  22          2HB       SER  22  -6.988  -7.319 -23.824
  188    HB3  SER  22          3HB       SER  22  -8.649  -7.513 -23.265
  189    HG   SER  22           HG       SER  22  -8.344  -5.985 -21.765
  190    H    ARG  23           H        ARG  23  -8.639 -10.529 -22.667
  191    HA   ARG  23           HA       ARG  23 -10.868  -9.992 -20.997
  192    HB2  ARG  23          2HB       ARG  23 -10.014 -12.496 -22.456
  193    HB3  ARG  23          3HB       ARG  23 -11.544 -12.336 -21.603
  194    HG2  ARG  23          2HG       ARG  23 -11.632 -10.150 -23.185
  195    HG3  ARG  23          3HG       ARG  23 -10.703 -11.255 -24.199
  196    HD2  ARG  23          2HD       ARG  23 -13.332 -11.957 -22.904
  197    HD3  ARG  23          3HD       ARG  23 -13.178 -11.344 -24.550
  198    HE   ARG  23           HE       ARG  23 -11.535 -13.630 -24.111
  199   HH11  ARG  23          1HH1      ARG  23 -14.803 -12.617 -24.751
  200   HH12  ARG  23          2HH1      ARG  23 -15.254 -14.105 -25.515
  201   HH21  ARG  23          1HH2      ARG  23 -12.116 -15.594 -25.115
  202   HH22  ARG  23          2HH2      ARG  23 -13.724 -15.798 -25.721
  203    H    LEU  24           H        LEU  24  -7.911 -11.781 -20.571
  204    HA   LEU  24           HA       LEU  24  -8.866 -12.902 -18.040
  205    HB2  LEU  24          2HB       LEU  24  -6.107 -13.409 -18.978
  206    HB3  LEU  24          3HB       LEU  24  -7.263 -14.499 -18.216
  207    HG   LEU  24           HG       LEU  24  -7.556 -13.609 -21.072
  208   HD11  LEU  24          1HD1      LEU  24  -6.594 -16.010 -21.454
  209   HD12  LEU  24          2HD1      LEU  24  -5.799 -15.716 -19.908
  210   HD13  LEU  24          3HD1      LEU  24  -5.511 -14.630 -21.268
  211   HD21  LEU  24          1HD2      LEU  24  -9.317 -14.855 -19.466
  212   HD22  LEU  24          2HD2      LEU  24  -8.447 -16.249 -20.106
  213   HD23  LEU  24          3HD2      LEU  24  -9.230 -15.115 -21.208
  214    H    GLN  25           H        GLN  25  -7.146 -10.254 -19.235
  215    HA   GLN  25           HA       GLN  25  -5.532  -9.903 -16.836
  216    HB2  GLN  25          2HB       GLN  25  -4.178  -8.881 -18.283
  217    HB3  GLN  25          3HB       GLN  25  -5.395  -8.989 -19.548
  218    HG2  GLN  25          2HG       GLN  25  -4.838  -6.708 -19.326
  219    HG3  GLN  25          3HG       GLN  25  -6.430  -6.915 -18.600
  220   HE21  GLN  25          1HE2      GLN  25  -6.482  -5.373 -17.095
  221   HE22  GLN  25          2HE2      GLN  25  -5.335  -5.192 -15.816
  222    H    ARG  26           H        ARG  26  -8.364  -8.540 -18.407
  223    HA   ARG  26           HA       ARG  26  -8.748  -6.207 -17.024
  224    HB2  ARG  26          2HB       ARG  26 -10.870  -6.233 -17.845
  225    HB3  ARG  26          3HB       ARG  26 -10.220  -7.552 -18.809
  226    HG2  ARG  26          2HG       ARG  26 -12.109  -8.553 -18.061
  227    HG3  ARG  26          3HG       ARG  26 -11.032  -8.977 -16.729
  228    HD2  ARG  26          2HD       ARG  26 -12.655  -8.098 -15.447
  229    HD3  ARG  26          3HD       ARG  26 -11.933  -6.558 -15.910
  230    HE   ARG  26           HE       ARG  26 -13.894  -7.409 -17.790
  231   HH11  ARG  26          1HH1      ARG  26 -13.482  -5.939 -14.662
  232   HH12  ARG  26          2HH1      ARG  26 -14.986  -5.081 -14.722
  233   HH21  ARG  26          1HH2      ARG  26 -15.877  -6.285 -17.881
  234   HH22  ARG  26          2HH2      ARG  26 -16.348  -5.280 -16.553
  Start of MODEL    5
    1    H1   TYR   1           H        TYR   1   2.093   1.224   0.423
    2    HA   TYR   1           HA       TYR   1   3.604   0.005  -1.427
    3    HB2  TYR   1          2HB       TYR   1   0.839  -1.099  -1.507
    4    HB3  TYR   1          3HB       TYR   1   1.642  -0.795  -3.044
    5    HD1  TYR   1           HD1      TYR   1   4.289  -1.617  -2.867
    6    HD2  TYR   1           HD2      TYR   1   0.945  -3.295  -0.840
    7    HE1  TYR   1           HE1      TYR   1   5.490  -3.753  -2.666
    8    HE2  TYR   1           HE2      TYR   1   2.138  -5.436  -0.633
    9    HH   TYR   1           HH       TYR   1   5.174  -6.012  -2.252
   10    H    TYR   2           H        TYR   2   4.156   1.711  -2.591
   11    HA   TYR   2           HA       TYR   2   2.141   3.756  -3.180
   12    HB2  TYR   2          2HB       TYR   2   4.571   4.764  -4.021
   13    HB3  TYR   2          3HB       TYR   2   3.806   5.085  -2.468
   14    HD1  TYR   2           HD1      TYR   2   4.826   4.398  -0.470
   15    HD2  TYR   2           HD2      TYR   2   6.208   2.819  -4.171
   16    HE1  TYR   2           HE1      TYR   2   6.737   3.371   0.689
   17    HE2  TYR   2           HE2      TYR   2   8.122   1.786  -3.022
   18    HH   TYR   2           HH       TYR   2   8.596   0.990  -0.586
   19    H    HIS   3           H        HIS   3   4.499   1.644  -4.722
   20    HA   HIS   3           HA       HIS   3   4.455   2.575  -7.315
   21    HB2  HIS   3          2HB       HIS   3   5.272   0.473  -7.982
   22    HB3  HIS   3          3HB       HIS   3   5.794   0.626  -6.307
   23    HD1  HIS   3           HD1      HIS   3   4.763  -1.919  -8.331
   24    HD2  HIS   3           HD2      HIS   3   3.304  -0.542  -4.693
   25    HE1  HIS   3           HE1      HIS   3   3.493  -3.851  -7.340
   26    H    PHE   4           H        PHE   4   1.936   1.033  -5.540
   27    HA   PHE   4           HA       PHE   4   0.399  -0.057  -7.603
   28    HB2  PHE   4          2HB       PHE   4   0.130   0.265  -4.850
   29    HB3  PHE   4          3HB       PHE   4  -1.229   1.159  -5.522
   30    HD1  PHE   4           HD1      PHE   4   0.498  -2.063  -6.291
   31    HD2  PHE   4           HD2      PHE   4  -3.175  -0.037  -5.568
   32    HE1  PHE   4           HE1      PHE   4  -0.725  -4.174  -6.610
   33    HE2  PHE   4           HE2      PHE   4  -4.404  -2.145  -5.885
   34    HZ   PHE   4           HZ       PHE   4  -3.179  -4.217  -6.406
   35    H    TRP   5           H        TRP   5   1.125   3.186  -6.910
   36    HA   TRP   5           HA       TRP   5  -1.226   4.447  -7.849
   37    HB2  TRP   5          2HB       TRP   5   0.016   6.466  -7.820
   38    HB3  TRP   5          3HB       TRP   5   0.659   5.496  -6.498
   39    HD1  TRP   5           HD1      TRP   5   2.752   3.714  -7.935
   40    HE1  TRP   5           HE1      TRP   5   4.855   4.738  -9.010
   41    HE3  TRP   5           HE3      TRP   5   1.101   8.515  -8.533
   42    HZ2  TRP   5           HZ2      TRP   5   5.702   7.249  -9.982
   43    HZ3  TRP   5           HZ3      TRP   5   2.620  10.167  -9.543
   44    HH2  TRP   5           HH2      TRP   5   4.872   9.545 -10.252
   45    H    HIS   6           H        HIS   6   1.669   3.259  -9.444
   46    HA   HIS   6           HA       HIS   6   0.538   4.087 -12.035
   47    HB2  HIS   6          2HB       HIS   6   2.920   4.828 -11.210
   48    HB3  HIS   6          3HB       HIS   6   3.384   3.209 -11.725
   49    HD1  HIS   6           HD1      HIS   6   4.775   5.195 -13.289
   50    HD2  HIS   6           HD2      HIS   6   0.878   4.122 -14.252
   51    HE1  HIS   6           HE1      HIS   6   4.475   5.844 -15.700
   52    H    ARG   7           H        ARG   7   2.009   1.419 -10.258
   53    HA   ARG   7           HA       ARG   7   1.873  -0.448 -12.405
   54    HB2  ARG   7          2HB       ARG   7   2.015  -1.014  -9.439
   55    HB3  ARG   7          3HB       ARG   7   2.424  -2.125 -10.740
   56    HG2  ARG   7          2HG       ARG   7   3.951   0.258 -11.059
   57    HG3  ARG   7          3HG       ARG   7   4.107  -0.308  -9.395
   58    HD2  ARG   7          2HD       ARG   7   5.832  -1.288 -10.803
   59    HD3  ARG   7          3HD       ARG   7   4.729  -2.530 -10.213
   60    HE   ARG   7           HE       ARG   7   4.123  -2.958 -12.374
   61   HH11  ARG   7          1HH1      ARG   7   5.698   0.143 -12.236
   62   HH12  ARG   7          2HH1      ARG   7   5.739   0.345 -13.956
   63   HH21  ARG   7          1HH2      ARG   7   4.171  -2.705 -14.641
   64   HH22  ARG   7          2HH2      ARG   7   4.869  -1.275 -15.323
   65    H    GLY   8           H        GLY   8   0.062  -0.427  -9.325
   66    HA2  GLY   8          2HA       GLY   8  -1.881  -2.272 -10.100
   67    HA3  GLY   8          3HA       GLY   8  -2.084  -1.072  -8.832
   68    H    VAL   9           H        VAL   9  -1.528   1.025 -11.004
   69    HA   VAL   9           HA       VAL   9  -4.320   1.290 -11.797
   70    HB   VAL   9           HB       VAL   9  -2.046   3.248 -12.150
   71   HG11  VAL   9          1HG1      VAL   9  -4.791   3.205 -13.063
   72   HG12  VAL   9          2HG1      VAL   9  -4.462   4.610 -12.047
   73   HG13  VAL   9          3HG1      VAL   9  -3.481   4.308 -13.482
   74   HG21  VAL   9          1HG2      VAL   9  -4.016   2.821  -9.934
   75   HG22  VAL   9          2HG2      VAL   9  -2.273   3.074  -9.841
   76   HG23  VAL   9          3HG2      VAL   9  -3.339   4.420 -10.245
   77    H    THR  10           H        THR  10  -1.403   0.200 -13.112
   78    HA   THR  10           HA       THR  10  -1.477   1.013 -15.759
   79    HB   THR  10           HB       THR  10   0.283  -0.437 -14.552
   80    HG1  THR  10           HG1      THR  10   0.789  -1.441 -16.672
   81   HG21  THR  10          1HG2      THR  10  -0.944  -2.796 -15.838
   82   HG22  THR  10          2HG2      THR  10  -1.704  -2.250 -14.342
   83   HG23  THR  10          3HG2      THR  10   0.007  -2.677 -14.358
   84    H    LYS  11           H        LYS  11  -3.635  -1.046 -14.075
   85    HA   LYS  11           HA       LYS  11  -4.581  -2.744 -16.048
   86    HB2  LYS  11          2HB       LYS  11  -5.918  -3.337 -14.366
   87    HB3  LYS  11          3HB       LYS  11  -5.394  -1.924 -13.459
   88    HG2  LYS  11          2HG       LYS  11  -7.174  -0.602 -14.454
   89    HG3  LYS  11          3HG       LYS  11  -7.686  -1.993 -15.412
   90    HD2  LYS  11          2HD       LYS  11  -8.329  -3.198 -13.455
   91    HD3  LYS  11          3HD       LYS  11  -7.586  -1.993 -12.400
   92    HE2  LYS  11          2HE       LYS  11  -9.666  -1.039 -14.279
   93    HE3  LYS  11          3HE       LYS  11 -10.206  -2.046 -12.936
   94    HZ1  LYS  11          1HZ       LYS  11 -10.149   0.439 -12.556
   95    HZ2  LYS  11          2HZ       LYS  11  -8.463   0.309 -12.527
   96    HZ3  LYS  11          3HZ       LYS  11  -9.395  -0.518 -11.382
   97    H    ARG  12           H        ARG  12  -5.453   0.619 -15.389
   98    HA   ARG  12           HA       ARG  12  -7.402   0.683 -17.517
   99    HB2  ARG  12          2HB       ARG  12  -8.012   2.740 -16.718
  100    HB3  ARG  12          3HB       ARG  12  -7.268   2.079 -15.268
  101    HG2  ARG  12          2HG       ARG  12  -5.113   3.210 -16.361
  102    HG3  ARG  12          3HG       ARG  12  -6.359   4.254 -17.046
  103    HD2  ARG  12          2HD       ARG  12  -6.426   3.618 -14.133
  104    HD3  ARG  12          3HD       ARG  12  -5.268   4.808 -14.726
  105    HE   ARG  12           HE       ARG  12  -7.960   5.261 -15.627
  106   HH11  ARG  12          1HH1      ARG  12  -5.660   5.821 -13.074
  107   HH12  ARG  12          2HH1      ARG  12  -6.456   7.246 -12.493
  108   HH21  ARG  12          1HH2      ARG  12  -9.017   7.135 -14.871
  109   HH22  ARG  12          2HH2      ARG  12  -8.366   7.992 -13.515
  110    H    SER  13           H        SER  13  -4.031   1.279 -17.154
  111    HA   SER  13           HA       SER  13  -3.807   2.943 -19.507
  112    HB2  SER  13          2HB       SER  13  -2.167   3.478 -17.937
  113    HB3  SER  13          3HB       SER  13  -1.862   1.788 -17.533
  114    HG   SER  13           HG       SER  13  -0.221   2.096 -18.833
  115    H    LEU  14           H        LEU  14  -3.861  -0.399 -18.794
  116    HA   LEU  14           HA       LEU  14  -2.573  -1.092 -21.334
  117    HB2  LEU  14          2HB       LEU  14  -2.540  -3.372 -20.510
  118    HB3  LEU  14          3HB       LEU  14  -1.796  -2.274 -19.349
  119    HG   LEU  14           HG       LEU  14  -4.243  -2.345 -18.306
  120   HD11  LEU  14          1HD1      LEU  14  -5.493  -4.182 -18.739
  121   HD12  LEU  14          2HD1      LEU  14  -4.093  -5.187 -19.110
  122   HD13  LEU  14          3HD1      LEU  14  -4.702  -4.046 -20.309
  123   HD21  LEU  14          1HD2      LEU  14  -3.264  -4.571 -17.149
  124   HD22  LEU  14          2HD2      LEU  14  -2.688  -2.943 -16.785
  125   HD23  LEU  14          3HD2      LEU  14  -1.805  -3.958 -17.927
  126    H    SER  15           H        SER  15  -5.637  -1.124 -19.674
  127    HA   SER  15           HA       SER  15  -7.261  -2.860 -20.810
  128    HB2  SER  15          2HB       SER  15  -7.604   0.018 -20.218
  129    HB3  SER  15          3HB       SER  15  -8.822  -0.693 -21.277
  130    HG   SER  15           HG       SER  15  -8.074  -1.621 -18.700
  131    HA   PRO  16           HA       PRO  16  -7.575  -0.602 -25.071
  132    HB2  PRO  16          2HB       PRO  16  -5.817   1.412 -25.544
  133    HB3  PRO  16          3HB       PRO  16  -7.399   1.673 -24.800
  134    HG2  PRO  16          2HG       PRO  16  -4.711   1.443 -23.503
  135    HG3  PRO  16          3HG       PRO  16  -6.025   2.583 -23.160
  136    HD2  PRO  16          2HD       PRO  16  -5.565   0.390 -21.639
  137    HD3  PRO  16          3HD       PRO  16  -7.193   1.052 -21.894
  138    H    HIS  17           H        HIS  17  -6.150  -2.814 -24.555
  139    HA   HIS  17           HA       HIS  17  -3.957  -2.636 -26.492
  140    HB2  HIS  17          2HB       HIS  17  -2.448  -3.881 -25.158
  141    HB3  HIS  17          3HB       HIS  17  -3.100  -2.641 -24.091
  142    HD1  HIS  17           HD1      HIS  17  -1.883  -5.404 -23.146
  143    HD2  HIS  17           HD2      HIS  17  -5.924  -4.517 -23.530
  144    HE1  HIS  17           HE1      HIS  17  -3.072  -7.007 -21.616
  145    H    ARG  18           H        ARG  18  -3.152  -5.257 -26.485
  146    HA   ARG  18           HA       ARG  18  -4.890  -6.519 -28.181
  147    HB2  ARG  18          2HB       ARG  18  -2.619  -7.379 -26.506
  148    HB3  ARG  18          3HB       ARG  18  -3.709  -8.667 -27.002
  149    HG2  ARG  18          2HG       ARG  18  -2.694  -8.742 -28.963
  150    HG3  ARG  18          3HG       ARG  18  -3.214  -7.086 -29.283
  151    HD2  ARG  18          2HD       ARG  18  -1.220  -6.192 -28.355
  152    HD3  ARG  18          3HD       ARG  18  -0.753  -7.755 -27.686
  153    HE   ARG  18           HE       ARG  18  -0.309  -6.819 -30.355
  154   HH11  ARG  18          1HH1      ARG  18  -0.785  -9.653 -28.389
  155   HH12  ARG  18          2HH1      ARG  18   0.047 -10.710 -29.481
  156   HH21  ARG  18          1HH2      ARG  18   0.790  -8.200 -31.800
  157   HH22  ARG  18          2HH2      ARG  18   0.944  -9.882 -31.420
  158    HA   PRO  19           HA       PRO  19  -8.187  -7.394 -25.232
  159    HB2  PRO  19          2HB       PRO  19 -10.018  -8.026 -27.135
  160    HB3  PRO  19          3HB       PRO  19  -9.621  -6.360 -26.699
  161    HG2  PRO  19          2HG       PRO  19  -8.648  -7.997 -29.009
  162    HG3  PRO  19          3HG       PRO  19  -9.168  -6.302 -28.979
  163    HD2  PRO  19          2HD       PRO  19  -6.559  -7.026 -28.975
  164    HD3  PRO  19          3HD       PRO  19  -7.146  -5.565 -28.154
  165    H    ARG  20           H        ARG  20  -6.346  -9.368 -27.183
  166    HA   ARG  20           HA       ARG  20  -7.783 -11.763 -27.298
  167    HB2  ARG  20          2HB       ARG  20  -4.847 -11.887 -26.829
  168    HB3  ARG  20          3HB       ARG  20  -5.833 -12.733 -28.015
  169    HG2  ARG  20          2HG       ARG  20  -6.105 -10.426 -29.120
  170    HG3  ARG  20          3HG       ARG  20  -4.724  -9.958 -28.126
  171    HD2  ARG  20          2HD       ARG  20  -3.310 -11.521 -29.164
  172    HD3  ARG  20          3HD       ARG  20  -4.665 -12.400 -29.871
  173    HE   ARG  20           HE       ARG  20  -4.486  -9.697 -30.798
  174   HH11  ARG  20          1HH1      ARG  20  -3.277 -12.932 -31.241
  175   HH12  ARG  20          2HH1      ARG  20  -2.840 -12.681 -32.898
  176   HH21  ARG  20          1HH2      ARG  20  -3.915  -9.355 -32.979
  177   HH22  ARG  20          2HH2      ARG  20  -3.202 -10.646 -33.886
  178    H    HIS  21           H        HIS  21  -5.097 -11.105 -25.045
  179    HA   HIS  21           HA       HIS  21  -6.145 -13.087 -23.205
  180    HB2  HIS  21          2HB       HIS  21  -4.086 -12.715 -21.944
  181    HB3  HIS  21          3HB       HIS  21  -3.725 -12.978 -23.647
  182    HD1  HIS  21           HD1      HIS  21  -1.748 -11.519 -21.762
  183    HD2  HIS  21           HD2      HIS  21  -4.518  -9.618 -24.206
  184    HE1  HIS  21           HE1      HIS  21  -0.845  -9.201 -22.125
  185    H    SER  22           H        SER  22  -6.404  -9.744 -23.689
  186    HA   SER  22           HA       SER  22  -6.498  -8.618 -21.191
  187    HB2  SER  22          2HB       SER  22  -7.076  -7.705 -23.653
  188    HB3  SER  22          3HB       SER  22  -8.715  -7.865 -23.021
  189    HG   SER  22           HG       SER  22  -7.787  -5.801 -22.595
  190    H    ARG  23           H        ARG  23  -8.614 -10.978 -22.524
  191    HA   ARG  23           HA       ARG  23 -10.920 -10.521 -20.982
  192    HB2  ARG  23          2HB       ARG  23  -9.824 -13.088 -22.141
  193    HB3  ARG  23          3HB       ARG  23 -11.431 -12.918 -21.449
  194    HG2  ARG  23          2HG       ARG  23 -10.439 -11.291 -23.775
  195    HG3  ARG  23          3HG       ARG  23 -11.332 -12.804 -23.940
  196    HD2  ARG  23          2HD       ARG  23 -12.716 -11.100 -22.117
  197    HD3  ARG  23          3HD       ARG  23 -12.354 -10.192 -23.584
  198    HE   ARG  23           HE       ARG  23 -14.247 -12.308 -23.301
  199   HH11  ARG  23          1HH1      ARG  23 -12.054 -10.784 -25.535
  200   HH12  ARG  23          2HH1      ARG  23 -12.938 -11.276 -26.941
  201   HH21  ARG  23          1HH2      ARG  23 -15.419 -12.962 -25.145
  202   HH22  ARG  23          2HH2      ARG  23 -14.853 -12.514 -26.718
  203    H    LEU  24           H        LEU  24  -7.906 -12.149 -20.277
  204    HA   LEU  24           HA       LEU  24  -8.934 -13.044 -17.685
  205    HB2  LEU  24          2HB       LEU  24  -7.061 -14.464 -17.538
  206    HB3  LEU  24          3HB       LEU  24  -7.649 -14.591 -19.195
  207    HG   LEU  24           HG       LEU  24  -5.809 -12.825 -19.707
  208   HD11  LEU  24          1HD1      LEU  24  -3.829 -13.509 -18.083
  209   HD12  LEU  24          2HD1      LEU  24  -5.164 -13.695 -16.946
  210   HD13  LEU  24          3HD1      LEU  24  -4.894 -12.144 -17.741
  211   HD21  LEU  24          1HD2      LEU  24  -4.108 -14.862 -19.611
  212   HD22  LEU  24          2HD2      LEU  24  -5.437 -14.802 -20.769
  213   HD23  LEU  24          3HD2      LEU  24  -5.596 -15.755 -19.293
  214    H    GLN  25           H        GLN  25  -7.244 -10.481 -19.064
  215    HA   GLN  25           HA       GLN  25  -5.662  -9.887 -16.698
  216    HB2  GLN  25          2HB       GLN  25  -4.358  -8.887 -18.204
  217    HB3  GLN  25          3HB       GLN  25  -5.551  -9.179 -19.463
  218    HG2  GLN  25          2HG       GLN  25  -5.110  -6.851 -19.419
  219    HG3  GLN  25          3HG       GLN  25  -6.716  -7.099 -18.736
  220   HE21  GLN  25          1HE2      GLN  25  -6.964  -5.513 -17.315
  221   HE22  GLN  25          2HE2      GLN  25  -5.867  -5.131 -16.035
  222    H    ARG  26           H        ARG  26  -8.504  -8.669 -18.394
  223    HA   ARG  26           HA       ARG  26  -8.936  -6.309 -17.014
  224    HB2  ARG  26          2HB       ARG  26 -10.391  -7.947 -18.805
  225    HB3  ARG  26          3HB       ARG  26 -11.449  -7.627 -17.436
  226    HG2  ARG  26          2HG       ARG  26 -10.083  -5.232 -18.303
  227    HG3  ARG  26          3HG       ARG  26 -10.999  -5.978 -19.614
  228    HD2  ARG  26          2HD       ARG  26 -12.678  -4.751 -18.717
  229    HD3  ARG  26          3HD       ARG  26 -12.820  -6.163 -17.670
  230    HE   ARG  26           HE       ARG  26 -12.114  -4.884 -15.909
  231   HH11  ARG  26          1HH1      ARG  26 -11.382  -3.232 -18.884
  232   HH12  ARG  26          2HH1      ARG  26 -10.890  -1.766 -18.102
  233   HH21  ARG  26          1HH2      ARG  26 -11.469  -2.960 -14.867
  234   HH22  ARG  26          2HH2      ARG  26 -10.939  -1.613 -15.816
  Start of MODEL    6
    1    H1   TYR   1           H        TYR   1   4.673  -1.934  -0.801
    2    HA   TYR   1           HA       TYR   1   2.748  -1.709  -2.145
    3    HB2  TYR   1          2HB       TYR   1   0.933  -0.949  -0.606
    4    HB3  TYR   1          3HB       TYR   1   2.021  -2.130   0.115
    5    HD1  TYR   1           HD1      TYR   1   0.943   1.377   0.139
    6    HD2  TYR   1           HD2      TYR   1   3.492  -1.518   1.936
    7    HE1  TYR   1           HE1      TYR   1   1.346   2.908   2.022
    8    HE2  TYR   1           HE2      TYR   1   3.900   0.004   3.824
    9    HH   TYR   1           HH       TYR   1   3.820   2.533   4.199
   10    H    TYR   2           H        TYR   2   4.612   0.558  -2.564
   11    HA   TYR   2           HA       TYR   2   2.743   2.783  -2.947
   12    HB2  TYR   2          2HB       TYR   2   5.193   3.708  -3.769
   13    HB3  TYR   2          3HB       TYR   2   4.529   3.899  -2.150
   14    HD1  TYR   2           HD1      TYR   2   5.669   3.027  -0.312
   15    HD2  TYR   2           HD2      TYR   2   6.620   1.604  -4.208
   16    HE1  TYR   2           HE1      TYR   2   7.565   1.765   0.618
   17    HE2  TYR   2           HE2      TYR   2   8.517   0.337  -3.288
   18    HH   TYR   2           HH       TYR   2   9.437  -0.456  -1.353
   19    H    HIS   3           H        HIS   3   4.926   0.647  -4.707
   20    HA   HIS   3           HA       HIS   3   4.857   1.778  -7.224
   21    HB2  HIS   3          2HB       HIS   3   5.721  -0.649  -6.114
   22    HB3  HIS   3          3HB       HIS   3   4.626  -1.098  -7.419
   23    HD1  HIS   3           HD1      HIS   3   6.993   1.854  -7.454
   24    HD2  HIS   3           HD2      HIS   3   6.470  -1.830  -9.303
   25    HE1  HIS   3           HE1      HIS   3   8.695   1.782  -9.305
   26    H    PHE   4           H        PHE   4   2.304   0.320  -5.468
   27    HA   PHE   4           HA       PHE   4   0.664  -0.597  -7.548
   28    HB2  PHE   4          2HB       PHE   4   0.487  -0.437  -4.778
   29    HB3  PHE   4          3HB       PHE   4  -0.833   0.580  -5.346
   30    HD1  PHE   4           HD1      PHE   4   0.672  -2.696  -6.325
   31    HD2  PHE   4           HD2      PHE   4  -2.855  -0.478  -5.455
   32    HE1  PHE   4           HE1      PHE   4  -0.689  -4.704  -6.738
   33    HE2  PHE   4           HE2      PHE   4  -4.221  -2.483  -5.865
   34    HZ   PHE   4           HZ       PHE   4  -3.138  -4.600  -6.507
   35    H    TRP   5           H        TRP   5   1.588   2.555  -6.706
   36    HA   TRP   5           HA       TRP   5  -0.721   3.991  -7.492
   37    HB2  TRP   5          2HB       TRP   5   0.640   5.939  -7.410
   38    HB3  TRP   5          3HB       TRP   5   1.238   4.872  -6.142
   39    HD1  TRP   5           HD1      TRP   5   3.190   3.028  -7.712
   40    HE1  TRP   5           HE1      TRP   5   5.343   3.972  -8.761
   41    HE3  TRP   5           HE3      TRP   5   1.856   7.954  -8.012
   42    HZ2  TRP   5           HZ2      TRP   5   6.343   6.473  -9.603
   43    HZ3  TRP   5           HZ3      TRP   5   3.468   9.558  -8.951
   44    HH2  TRP   5           HH2      TRP   5   5.665   8.831  -9.729
   45    H    HIS   6           H        HIS   6   2.067   2.762  -9.243
   46    HA   HIS   6           HA       HIS   6   0.906   3.792 -11.745
   47    HB2  HIS   6          2HB       HIS   6   3.390   4.275 -10.894
   48    HB3  HIS   6          3HB       HIS   6   3.686   2.729 -11.683
   49    HD1  HIS   6           HD1      HIS   6   1.437   5.554 -12.858
   50    HD2  HIS   6           HD2      HIS   6   4.851   3.489 -14.015
   51    HE1  HIS   6           HE1      HIS   6   1.998   6.415 -15.154
   52    H    ARG   7           H        ARG   7   2.247   0.949 -10.154
   53    HA   ARG   7           HA       ARG   7   1.968  -0.781 -12.401
   54    HB2  ARG   7          2HB       ARG   7   2.128  -1.527  -9.477
   55    HB3  ARG   7          3HB       ARG   7   2.456  -2.578 -10.848
   56    HG2  ARG   7          2HG       ARG   7   4.042  -0.113 -10.160
   57    HG3  ARG   7          3HG       ARG   7   4.494  -1.763  -9.726
   58    HD2  ARG   7          2HD       ARG   7   5.207  -2.242 -11.802
   59    HD3  ARG   7          3HD       ARG   7   3.866  -1.386 -12.563
   60    HE   ARG   7           HE       ARG   7   5.780   0.391 -11.400
   61   HH11  ARG   7          1HH1      ARG   7   5.080  -1.566 -14.194
   62   HH12  ARG   7          2HH1      ARG   7   6.051  -0.613 -15.266
   63   HH21  ARG   7          1HH2      ARG   7   7.063   1.652 -12.803
   64   HH22  ARG   7          2HH2      ARG   7   7.180   1.216 -14.474
   65    H    GLY   8           H        GLY   8   0.223  -0.845  -9.284
   66    HA2  GLY   8          2HA       GLY   8  -1.842  -2.521 -10.128
   67    HA3  GLY   8          3HA       GLY   8  -1.946  -1.398  -8.780
   68    H    VAL   9           H        VAL   9  -1.321   0.813 -10.802
   69    HA   VAL   9           HA       VAL   9  -4.106   1.280 -11.521
   70    HB   VAL   9           HB       VAL   9  -1.740   3.140 -11.780
   71   HG11  VAL   9          1HG1      VAL   9  -4.501   3.303 -12.627
   72   HG12  VAL   9          2HG1      VAL   9  -4.083   4.607 -11.514
   73   HG13  VAL   9          3HG1      VAL   9  -3.146   4.372 -12.990
   74   HG21  VAL   9          1HG2      VAL   9  -1.922   2.810  -9.488
   75   HG22  VAL   9          2HG2      VAL   9  -2.934   4.229  -9.762
   76   HG23  VAL   9          3HG2      VAL   9  -3.677   2.644  -9.551
   77    H    THR  10           H        THR  10  -1.279   0.130 -12.967
   78    HA   THR  10           HA       THR  10  -1.385   1.146 -15.554
   79    HB   THR  10           HB       THR  10   0.362  -0.436 -14.465
   80    HG1  THR  10           HG1      THR  10   1.161  -0.460 -16.433
   81   HG21  THR  10          1HG2      THR  10  -0.947  -2.624 -15.968
   82   HG22  THR  10          2HG2      THR  10  -1.642  -2.221 -14.398
   83   HG23  THR  10          3HG2      THR  10   0.054  -2.685 -14.519
   84    H    LYS  11           H        LYS  11  -3.590  -0.889 -13.949
   85    HA   LYS  11           HA       LYS  11  -4.612  -2.529 -15.911
   86    HB2  LYS  11          2HB       LYS  11  -6.043  -3.000 -14.267
   87    HB3  LYS  11          3HB       LYS  11  -5.425  -1.628 -13.358
   88    HG2  LYS  11          2HG       LYS  11  -7.075  -0.175 -14.403
   89    HG3  LYS  11          3HG       LYS  11  -7.683  -1.535 -15.349
   90    HD2  LYS  11          2HD       LYS  11  -7.561  -1.995 -12.448
   91    HD3  LYS  11          3HD       LYS  11  -8.697  -0.743 -12.956
   92    HE2  LYS  11          2HE       LYS  11  -9.641  -2.376 -14.593
   93    HE3  LYS  11          3HE       LYS  11  -8.604  -3.611 -13.881
   94    HZ1  LYS  11          1HZ       LYS  11 -10.877  -3.624 -12.983
   95    HZ2  LYS  11          2HZ       LYS  11 -10.645  -2.059 -12.384
   96    HZ3  LYS  11          3HZ       LYS  11  -9.715  -3.339 -11.786
   97    H    ARG  12           H        ARG  12  -5.275   0.898 -15.353
   98    HA   ARG  12           HA       ARG  12  -7.159   1.024 -17.545
   99    HB2  ARG  12          2HB       ARG  12  -7.421   3.343 -16.969
  100    HB3  ARG  12          3HB       ARG  12  -7.405   2.405 -15.482
  101    HG2  ARG  12          2HG       ARG  12  -6.025   4.105 -14.877
  102    HG3  ARG  12          3HG       ARG  12  -4.834   2.991 -15.551
  103    HD2  ARG  12          2HD       ARG  12  -4.257   4.476 -17.099
  104    HD3  ARG  12          3HD       ARG  12  -5.929   4.613 -17.641
  105    HE   ARG  12           HE       ARG  12  -4.509   6.421 -15.903
  106   HH11  ARG  12          1HH1      ARG  12  -7.625   5.286 -16.962
  107   HH12  ARG  12          2HH1      ARG  12  -8.455   6.735 -16.500
  108   HH21  ARG  12          1HH2      ARG  12  -5.590   8.334 -15.290
  109   HH22  ARG  12          2HH2      ARG  12  -7.296   8.468 -15.550
  110    H    SER  13           H        SER  13  -3.782   1.405 -17.080
  111    HA   SER  13           HA       SER  13  -3.374   3.061 -19.414
  112    HB2  SER  13          2HB       SER  13  -1.774   3.458 -17.740
  113    HB3  SER  13          3HB       SER  13  -1.544   1.739 -17.424
  114    HG   SER  13           HG       SER  13  -0.245   1.579 -19.121
  115    H    LEU  14           H        LEU  14  -3.689  -0.267 -18.727
  116    HA   LEU  14           HA       LEU  14  -2.353  -1.046 -21.216
  117    HB2  LEU  14          2HB       LEU  14  -2.543  -3.328 -20.408
  118    HB3  LEU  14          3HB       LEU  14  -1.751  -2.297 -19.219
  119    HG   LEU  14           HG       LEU  14  -4.237  -2.167 -18.267
  120   HD11  LEU  14          1HD1      LEU  14  -4.783  -3.812 -20.272
  121   HD12  LEU  14          2HD1      LEU  14  -5.593  -3.936 -18.711
  122   HD13  LEU  14          3HD1      LEU  14  -4.252  -5.014 -19.096
  123   HD21  LEU  14          1HD2      LEU  14  -1.946  -3.962 -17.794
  124   HD22  LEU  14          2HD2      LEU  14  -3.476  -4.451 -17.065
  125   HD23  LEU  14          3HD2      LEU  14  -2.785  -2.871 -16.690
  126    H    SER  15           H        SER  15  -5.481  -0.867 -19.683
  127    HA   SER  15           HA       SER  15  -7.171  -2.471 -20.925
  128    HB2  SER  15          2HB       SER  15  -8.551  -0.987 -19.956
  129    HB3  SER  15          3HB       SER  15  -7.342   0.292 -20.055
  130    HG   SER  15           HG       SER  15  -9.546   0.038 -21.483
  131    HA   PRO  16           HA       PRO  16  -7.146  -0.077 -25.126
  132    HB2  PRO  16          2HB       PRO  16  -5.209   1.792 -25.475
  133    HB3  PRO  16          3HB       PRO  16  -6.792   2.167 -24.782
  134    HG2  PRO  16          2HG       PRO  16  -4.184   1.676 -23.395
  135    HG3  PRO  16          3HG       PRO  16  -5.411   2.914 -23.067
  136    HD2  PRO  16          2HD       PRO  16  -5.195   0.651 -21.596
  137    HD3  PRO  16          3HD       PRO  16  -6.751   1.454 -21.890
  138    H    HIS  17           H        HIS  17  -5.916  -2.413 -24.599
  139    HA   HIS  17           HA       HIS  17  -3.652  -2.373 -26.462
  140    HB2  HIS  17          2HB       HIS  17  -2.293  -3.757 -25.108
  141    HB3  HIS  17          3HB       HIS  17  -2.891  -2.499 -24.030
  142    HD1  HIS  17           HD1      HIS  17  -1.929  -5.421 -23.185
  143    HD2  HIS  17           HD2      HIS  17  -5.857  -4.120 -23.562
  144    HE1  HIS  17           HE1      HIS  17  -3.289  -6.957 -21.729
  145    H    ARG  18           H        ARG  18  -3.064  -5.060 -26.469
  146    HA   ARG  18           HA       ARG  18  -4.820  -6.143 -28.265
  147    HB2  ARG  18          2HB       ARG  18  -2.758  -7.263 -26.454
  148    HB3  ARG  18          3HB       ARG  18  -3.900  -8.410 -27.141
  149    HG2  ARG  18          2HG       ARG  18  -2.905  -8.349 -29.126
  150    HG3  ARG  18          3HG       ARG  18  -2.871  -6.585 -29.138
  151    HD2  ARG  18          2HD       ARG  18  -0.981  -7.844 -27.277
  152    HD3  ARG  18          3HD       ARG  18  -0.675  -8.182 -28.980
  153    HE   ARG  18           HE       ARG  18  -0.286  -5.696 -27.623
  154   HH11  ARG  18          1HH1      ARG  18  -1.034  -7.147 -30.698
  155   HH12  ARG  18          2HH1      ARG  18  -0.432  -5.811 -31.622
  156   HH21  ARG  18          1HH2      ARG  18   0.509  -3.931 -28.829
  157   HH22  ARG  18          2HH2      ARG  18   0.446  -3.982 -30.558
  158    HA   PRO  19           HA       PRO  19  -8.322  -6.763 -25.493
  159    HB2  PRO  19          2HB       PRO  19 -10.107  -7.198 -27.492
  160    HB3  PRO  19          3HB       PRO  19  -9.585  -5.581 -27.004
  161    HG2  PRO  19          2HG       PRO  19  -8.650  -7.261 -29.299
  162    HG3  PRO  19          3HG       PRO  19  -9.019  -5.527 -29.259
  163    HD2  PRO  19          2HD       PRO  19  -6.487  -6.482 -29.147
  164    HD3  PRO  19          3HD       PRO  19  -6.981  -4.988 -28.325
  165    H    ARG  20           H        ARG  20  -6.574  -8.862 -27.401
  166    HA   ARG  20           HA       ARG  20  -8.221 -11.117 -27.611
  167    HB2  ARG  20          2HB       ARG  20  -5.322 -11.510 -27.068
  168    HB3  ARG  20          3HB       ARG  20  -6.345 -12.244 -28.296
  169    HG2  ARG  20          2HG       ARG  20  -6.381  -9.899 -29.359
  170    HG3  ARG  20          3HG       ARG  20  -4.985  -9.582 -28.326
  171    HD2  ARG  20          2HD       ARG  20  -5.256 -11.718 -30.434
  172    HD3  ARG  20          3HD       ARG  20  -4.197 -10.309 -30.470
  173    HE   ARG  20           HE       ARG  20  -3.489 -11.712 -28.213
  174   HH11  ARG  20          1HH1      ARG  20  -3.633 -12.343 -31.633
  175   HH12  ARG  20          2HH1      ARG  20  -2.326 -13.481 -31.610
  176   HH21  ARG  20          1HH2      ARG  20  -1.768 -13.208 -28.170
  177   HH22  ARG  20          2HH2      ARG  20  -1.267 -13.973 -29.639
  178    H    HIS  21           H        HIS  21  -5.549 -10.742 -25.278
  179    HA   HIS  21           HA       HIS  21  -6.824 -12.649 -23.503
  180    HB2  HIS  21          2HB       HIS  21  -4.772 -12.490 -22.185
  181    HB3  HIS  21          3HB       HIS  21  -4.393 -12.760 -23.883
  182    HD1  HIS  21           HD1      HIS  21  -2.337 -11.523 -21.927
  183    HD2  HIS  21           HD2      HIS  21  -4.857  -9.330 -24.398
  184    HE1  HIS  21           HE1      HIS  21  -1.212  -9.294 -22.226
  185    H    SER  22           H        SER  22  -6.791  -9.297 -23.941
  186    HA   SER  22           HA       SER  22  -6.824  -8.185 -21.438
  187    HB2  SER  22          2HB       SER  22  -7.310  -7.215 -23.897
  188    HB3  SER  22          3HB       SER  22  -8.961  -7.252 -23.279
  189    HG   SER  22           HG       SER  22  -8.465  -5.774 -21.801
  190    H    ARG  23           H        ARG  23  -9.161 -10.302 -22.856
  191    HA   ARG  23           HA       ARG  23 -11.399  -9.689 -21.271
  192    HB2  ARG  23          2HB       ARG  23 -12.149 -12.003 -21.834
  193    HB3  ARG  23          3HB       ARG  23 -11.663 -11.051 -23.231
  194    HG2  ARG  23          2HG       ARG  23  -9.349 -12.219 -22.824
  195    HG3  ARG  23          3HG       ARG  23 -10.349 -13.413 -21.994
  196    HD2  ARG  23          2HD       ARG  23 -10.998 -12.452 -24.763
  197    HD3  ARG  23          3HD       ARG  23  -9.869 -13.776 -24.483
  198    HE   ARG  23           HE       ARG  23 -12.329 -14.194 -23.117
  199   HH11  ARG  23          1HH1      ARG  23 -10.817 -14.374 -26.247
  200   HH12  ARG  23          2HH1      ARG  23 -11.887 -15.602 -26.838
  201   HH21  ARG  23          1HH2      ARG  23 -13.744 -15.810 -23.884
  202   HH22  ARG  23          2HH2      ARG  23 -13.552 -16.417 -25.493
  203    H    LEU  24           H        LEU  24  -8.557 -11.633 -20.665
  204    HA   LEU  24           HA       LEU  24  -9.655 -12.579 -18.126
  205    HB2  LEU  24          2HB       LEU  24  -6.888 -13.239 -18.957
  206    HB3  LEU  24          3HB       LEU  24  -8.096 -14.239 -18.151
  207    HG   LEU  24           HG       LEU  24  -8.335 -13.508 -21.055
  208   HD11  LEU  24          1HD1      LEU  24  -6.297 -14.572 -21.158
  209   HD12  LEU  24          2HD1      LEU  24  -7.412 -15.929 -21.320
  210   HD13  LEU  24          3HD1      LEU  24  -6.642 -15.601 -19.768
  211   HD21  LEU  24          1HD2      LEU  24  -9.412 -15.795 -19.409
  212   HD22  LEU  24          2HD2      LEU  24  -9.710 -15.520 -21.126
  213   HD23  LEU  24          3HD2      LEU  24 -10.324 -14.378 -19.929
  214    H    GLN  25           H        GLN  25  -7.760 -10.066 -19.350
  215    HA   GLN  25           HA       GLN  25  -6.209  -9.692 -16.920
  216    HB2  GLN  25          2HB       GLN  25  -4.800  -8.742 -18.365
  217    HB3  GLN  25          3HB       GLN  25  -5.996  -8.844 -19.650
  218    HG2  GLN  25          2HG       GLN  25  -5.373  -6.575 -19.466
  219    HG3  GLN  25          3HG       GLN  25  -6.986  -6.720 -18.769
  220   HE21  GLN  25          1HE2      GLN  25  -7.019  -5.138 -17.305
  221   HE22  GLN  25          2HE2      GLN  25  -5.896  -4.964 -16.004
  222    H    ARG  26           H        ARG  26  -8.960  -8.268 -18.586
  223    HA   ARG  26           HA       ARG  26  -9.284  -5.907 -17.207
  224    HB2  ARG  26          2HB       ARG  26 -11.129  -5.825 -18.458
  225    HB3  ARG  26          3HB       ARG  26 -10.841  -7.492 -18.938
  226    HG2  ARG  26          2HG       ARG  26 -12.155  -8.270 -17.029
  227    HG3  ARG  26          3HG       ARG  26 -12.447  -6.595 -16.554
  228    HD2  ARG  26          2HD       ARG  26 -13.137  -7.419 -19.328
  229    HD3  ARG  26          3HD       ARG  26 -14.184  -7.954 -18.014
  230    HE   ARG  26           HE       ARG  26 -13.624  -5.149 -17.913
  231   HH11  ARG  26          1HH1      ARG  26 -15.638  -7.585 -19.374
  232   HH12  ARG  26          2HH1      ARG  26 -16.944  -6.494 -19.701
  233   HH21  ARG  26          1HH2      ARG  26 -15.337  -3.704 -18.339
  234   HH22  ARG  26          2HH2      ARG  26 -16.771  -4.287 -19.113
  Start of MODEL    7
    1    H1   TYR   1           H        TYR   1   4.412  -1.626  -0.240
    2    HA   TYR   1           HA       TYR   1   2.754  -1.581  -2.097
    3    HB2  TYR   1          2HB       TYR   1   0.798  -1.113  -0.763
    4    HB3  TYR   1          3HB       TYR   1   1.990  -1.916   0.253
    5    HD1  TYR   1           HD1      TYR   1   3.480  -0.392   1.719
    6    HD2  TYR   1           HD2      TYR   1  -0.163   0.891  -0.067
    7    HE1  TYR   1           HE1      TYR   1   3.334   1.444   3.349
    8    HE2  TYR   1           HE2      TYR   1  -0.318   2.731   1.557
    9    HH   TYR   1           HH       TYR   1   0.571   3.674   3.362
   10    H    TYR   2           H        TYR   2   4.535   0.678  -2.521
   11    HA   TYR   2           HA       TYR   2   2.664   2.886  -2.980
   12    HB2  TYR   2          2HB       TYR   2   5.143   3.779  -3.788
   13    HB3  TYR   2          3HB       TYR   2   4.425   4.047  -2.204
   14    HD1  TYR   2           HD1      TYR   2   5.457   3.207  -0.280
   15    HD2  TYR   2           HD2      TYR   2   6.615   1.705  -4.088
   16    HE1  TYR   2           HE1      TYR   2   7.313   1.983   0.774
   17    HE2  TYR   2           HE2      TYR   2   8.473   0.476  -3.046
   18    HH   TYR   2           HH       TYR   2   9.455   1.023   0.182
   19    H    HIS   3           H        HIS   3   4.865   0.706  -4.657
   20    HA   HIS   3           HA       HIS   3   4.843   1.785  -7.198
   21    HB2  HIS   3          2HB       HIS   3   5.805  -0.527  -6.063
   22    HB3  HIS   3          3HB       HIS   3   4.588  -1.137  -7.181
   23    HD1  HIS   3           HD1      HIS   3   5.248   1.341  -9.228
   24    HD2  HIS   3           HD2      HIS   3   7.841  -1.541  -7.735
   25    HE1  HIS   3           HE1      HIS   3   7.144   1.224 -10.877
   26    H    PHE   4           H        PHE   4   2.256   0.380  -5.452
   27    HA   PHE   4           HA       PHE   4   0.647  -0.582  -7.535
   28    HB2  PHE   4          2HB       PHE   4   0.426  -0.400  -4.788
   29    HB3  PHE   4          3HB       PHE   4  -0.846   0.676  -5.357
   30    HD1  PHE   4           HD1      PHE   4  -2.897  -0.195  -5.963
   31    HD2  PHE   4           HD2      PHE   4   0.500  -2.757  -5.852
   32    HE1  PHE   4           HE1      PHE   4  -4.351  -2.135  -6.383
   33    HE2  PHE   4           HE2      PHE   4  -0.948  -4.701  -6.273
   34    HZ   PHE   4           HZ       PHE   4  -3.376  -4.392  -6.540
   35    H    TRP   5           H        TRP   5   1.570   2.586  -6.758
   36    HA   TRP   5           HA       TRP   5  -0.719   4.010  -7.621
   37    HB2  TRP   5          2HB       TRP   5   0.650   5.955  -7.566
   38    HB3  TRP   5          3HB       TRP   5   1.219   4.919  -6.259
   39    HD1  TRP   5           HD1      TRP   5   3.189   3.025  -7.747
   40    HE1  TRP   5           HE1      TRP   5   5.367   3.932  -8.778
   41    HE3  TRP   5           HE3      TRP   5   1.888   7.949  -8.191
   42    HZ2  TRP   5           HZ2      TRP   5   6.397   6.407  -9.661
   43    HZ3  TRP   5           HZ3      TRP   5   3.527   9.521  -9.139
   44    HH2  TRP   5           HH2      TRP   5   5.734   8.764  -9.857
   45    H    HIS   6           H        HIS   6   2.093   2.722  -9.291
   46    HA   HIS   6           HA       HIS   6   0.982   3.695 -11.838
   47    HB2  HIS   6          2HB       HIS   6   3.693   3.544 -10.793
   48    HB3  HIS   6          3HB       HIS   6   3.548   2.753 -12.360
   49    HD1  HIS   6           HD1      HIS   6   4.626   4.446 -13.852
   50    HD2  HIS   6           HD2      HIS   6   1.747   6.122 -11.368
   51    HE1  HIS   6           HE1      HIS   6   4.361   6.821 -14.636
   52    H    ARG   7           H        ARG   7   2.285   0.887 -10.155
   53    HA   ARG   7           HA       ARG   7   2.031  -0.898 -12.362
   54    HB2  ARG   7          2HB       ARG   7   2.156  -1.551  -9.412
   55    HB3  ARG   7          3HB       ARG   7   2.464  -2.661 -10.741
   56    HG2  ARG   7          2HG       ARG   7   4.102  -0.191 -10.584
   57    HG3  ARG   7          3HG       ARG   7   4.420  -1.481  -9.423
   58    HD2  ARG   7          2HD       ARG   7   5.829  -1.679 -11.420
   59    HD3  ARG   7          3HD       ARG   7   4.751  -3.063 -11.235
   60    HE   ARG   7           HE       ARG   7   3.740  -2.489 -13.203
   61   HH11  ARG   7          1HH1      ARG   7   5.590   0.223 -12.045
   62   HH12  ARG   7          2HH1      ARG   7   5.359   1.162 -13.483
   63   HH21  ARG   7          1HH2      ARG   7   3.428  -1.262 -15.101
   64   HH22  ARG   7          2HH2      ARG   7   4.128   0.317 -15.220
   65    H    GLY   8           H        GLY   8   0.236  -0.877  -9.272
   66    HA2  GLY   8          2HA       GLY   8  -1.823  -2.564 -10.106
   67    HA3  GLY   8          3HA       GLY   8  -1.944  -1.405  -8.790
   68    H    VAL   9           H        VAL   9  -1.273   0.747 -10.864
   69    HA   VAL   9           HA       VAL   9  -4.044   1.209 -11.639
   70    HB   VAL   9           HB       VAL   9  -1.664   3.050 -11.911
   71   HG11  VAL   9          1HG1      VAL   9  -4.409   3.202 -12.808
   72   HG12  VAL   9          2HG1      VAL   9  -4.007   4.531 -11.718
   73   HG13  VAL   9          3HG1      VAL   9  -3.045   4.259 -13.171
   74   HG21  VAL   9          1HG2      VAL   9  -2.882   4.197  -9.942
   75   HG22  VAL   9          2HG2      VAL   9  -3.639   2.623  -9.698
   76   HG23  VAL   9          3HG2      VAL   9  -1.884   2.781  -9.612
   77    H    THR  10           H        THR  10  -1.197   0.010 -13.007
   78    HA   THR  10           HA       THR  10  -1.232   0.953 -15.616
   79    HB   THR  10           HB       THR  10   0.454  -0.640 -14.470
   80    HG1  THR  10           HG1      THR  10   1.073  -1.403 -16.567
   81   HG21  THR  10          1HG2      THR  10  -1.617  -2.366 -14.379
   82   HG22  THR  10          2HG2      THR  10   0.072  -2.872 -14.408
   83   HG23  THR  10          3HG2      THR  10  -0.870  -2.859 -15.898
   84    H    LYS  11           H        LYS  11  -3.494  -1.049 -14.016
   85    HA   LYS  11           HA       LYS  11  -4.518  -2.626 -16.053
   86    HB2  LYS  11          2HB       LYS  11  -5.880  -3.219 -14.389
   87    HB3  LYS  11          3HB       LYS  11  -5.294  -1.864 -13.433
   88    HG2  LYS  11          2HG       LYS  11  -7.011  -0.428 -14.378
   89    HG3  LYS  11          3HG       LYS  11  -7.582  -1.757 -15.389
   90    HD2  LYS  11          2HD       LYS  11  -7.411  -2.371 -12.521
   91    HD3  LYS  11          3HD       LYS  11  -8.592  -1.129 -12.944
   92    HE2  LYS  11          2HE       LYS  11  -9.998  -2.704 -13.626
   93    HE3  LYS  11          3HE       LYS  11  -8.827  -3.225 -14.837
   94    HZ1  LYS  11          1HZ       LYS  11  -7.855  -4.724 -13.258
   95    HZ2  LYS  11          2HZ       LYS  11  -9.520  -5.016 -13.322
   96    HZ3  LYS  11          3HZ       LYS  11  -8.861  -4.162 -12.020
   97    H    ARG  12           H        ARG  12  -5.228   0.747 -15.257
   98    HA   ARG  12           HA       ARG  12  -7.164   0.989 -17.386
   99    HB2  ARG  12          2HB       ARG  12  -7.686   3.035 -16.501
  100    HB3  ARG  12          3HB       ARG  12  -6.981   2.278 -15.078
  101    HG2  ARG  12          2HG       ARG  12  -4.774   3.364 -16.148
  102    HG3  ARG  12          3HG       ARG  12  -5.987   4.504 -16.733
  103    HD2  ARG  12          2HD       ARG  12  -6.030   3.679 -13.868
  104    HD3  ARG  12          3HD       ARG  12  -4.823   4.846 -14.405
  105    HE   ARG  12           HE       ARG  12  -7.237   5.752 -15.375
  106   HH11  ARG  12          1HH1      ARG  12  -5.856   5.058 -12.256
  107   HH12  ARG  12          2HH1      ARG  12  -6.802   6.249 -11.427
  108   HH21  ARG  12          1HH2      ARG  12  -8.489   7.324 -14.295
  109   HH22  ARG  12          2HH2      ARG  12  -8.300   7.537 -12.588
  110    H    SER  13           H        SER  13  -3.774   1.361 -17.012
  111    HA   SER  13           HA       SER  13  -3.465   3.126 -19.289
  112    HB2  SER  13          2HB       SER  13  -1.774   2.144 -17.125
  113    HB3  SER  13          3HB       SER  13  -0.951   2.112 -18.684
  114    HG   SER  13           HG       SER  13  -0.943   4.225 -18.728
  115    H    LEU  14           H        LEU  14  -3.676  -0.230 -18.701
  116    HA   LEU  14           HA       LEU  14  -2.385  -0.890 -21.248
  117    HB2  LEU  14          2HB       LEU  14  -2.452  -3.193 -20.510
  118    HB3  LEU  14          3HB       LEU  14  -1.697  -2.173 -19.286
  119    HG   LEU  14           HG       LEU  14  -4.166  -2.190 -18.300
  120   HD11  LEU  14          1HD1      LEU  14  -4.663  -3.769 -20.386
  121   HD12  LEU  14          2HD1      LEU  14  -5.480  -3.958 -18.834
  122   HD13  LEU  14          3HD1      LEU  14  -4.114  -4.995 -19.243
  123   HD21  LEU  14          1HD2      LEU  14  -3.325  -4.490 -17.209
  124   HD22  LEU  14          2HD2      LEU  14  -2.651  -2.915 -16.788
  125   HD23  LEU  14          3HD2      LEU  14  -1.820  -3.949 -17.952
  126    H    SER  15           H        SER  15  -5.470  -0.843 -19.627
  127    HA   SER  15           HA       SER  15  -7.157  -2.459 -20.842
  128    HB2  SER  15          2HB       SER  15  -8.340   0.097 -21.293
  129    HB3  SER  15          3HB       SER  15  -8.648  -1.032 -19.974
  130    HG   SER  15           HG       SER  15  -7.649   1.291 -19.687
  131    HA   PRO  16           HA       PRO  16  -7.309  -0.050 -25.028
  132    HB2  PRO  16          2HB       PRO  16  -5.461   1.901 -25.410
  133    HB3  PRO  16          3HB       PRO  16  -7.041   2.205 -24.679
  134    HG2  PRO  16          2HG       PRO  16  -4.384   1.817 -23.355
  135    HG3  PRO  16          3HG       PRO  16  -5.654   3.001 -22.991
  136    HD2  PRO  16          2HD       PRO  16  -5.309   0.741 -21.539
  137    HD3  PRO  16          3HD       PRO  16  -6.904   1.479 -21.793
  138    H    HIS  17           H        HIS  17  -5.984  -2.336 -24.564
  139    HA   HIS  17           HA       HIS  17  -3.752  -2.186 -26.461
  140    HB2  HIS  17          2HB       HIS  17  -2.333  -3.562 -25.151
  141    HB3  HIS  17          3HB       HIS  17  -2.937  -2.323 -24.054
  142    HD1  HIS  17           HD1      HIS  17  -1.881  -5.140 -23.137
  143    HD2  HIS  17           HD2      HIS  17  -5.871  -4.097 -23.644
  144    HE1  HIS  17           HE1      HIS  17  -3.182  -6.734 -21.691
  145    H    ARG  18           H        ARG  18  -3.067  -4.832 -26.559
  146    HA   ARG  18           HA       ARG  18  -4.833  -5.945 -28.329
  147    HB2  ARG  18          2HB       ARG  18  -2.704  -7.069 -26.574
  148    HB3  ARG  18          3HB       ARG  18  -3.783  -8.200 -27.381
  149    HG2  ARG  18          2HG       ARG  18  -2.515  -6.054 -29.000
  150    HG3  ARG  18          3HG       ARG  18  -1.531  -7.426 -28.487
  151    HD2  ARG  18          2HD       ARG  18  -2.350  -8.575 -30.202
  152    HD3  ARG  18          3HD       ARG  18  -3.929  -8.523 -29.419
  153    HE   ARG  18           HE       ARG  18  -4.602  -6.961 -30.954
  154   HH11  ARG  18          1HH1      ARG  18  -1.135  -7.254 -31.059
  155   HH12  ARG  18          2HH1      ARG  18  -0.964  -6.268 -32.473
  156   HH21  ARG  18          1HH2      ARG  18  -4.390  -5.661 -32.816
  157   HH22  ARG  18          2HH2      ARG  18  -2.816  -5.361 -33.471
  158    HA   PRO  19           HA       PRO  19  -8.206  -6.799 -25.460
  159    HB2  PRO  19          2HB       PRO  19 -10.037  -7.262 -27.410
  160    HB3  PRO  19          3HB       PRO  19  -9.573  -5.636 -26.896
  161    HG2  PRO  19          2HG       PRO  19  -8.643  -7.212 -29.265
  162    HG3  PRO  19          3HG       PRO  19  -9.087  -5.498 -29.166
  163    HD2  PRO  19          2HD       PRO  19  -6.513  -6.338 -29.164
  164    HD3  PRO  19          3HD       PRO  19  -7.045  -4.890 -28.285
  165    H    ARG  20           H        ARG  20  -6.410  -8.766 -27.444
  166    HA   ARG  20           HA       ARG  20  -7.964 -11.089 -27.679
  167    HB2  ARG  20          2HB       ARG  20  -6.101 -11.305 -28.968
  168    HB3  ARG  20          3HB       ARG  20  -5.087 -10.421 -27.837
  169    HG2  ARG  20          2HG       ARG  20  -4.588 -12.296 -26.604
  170    HG3  ARG  20          3HG       ARG  20  -6.047 -13.148 -27.114
  171    HD2  ARG  20          2HD       ARG  20  -5.104 -13.365 -29.376
  172    HD3  ARG  20          3HD       ARG  20  -3.637 -12.554 -28.828
  173    HE   ARG  20           HE       ARG  20  -4.293 -14.871 -27.272
  174   HH11  ARG  20          1HH1      ARG  20  -2.736 -13.740 -30.174
  175   HH12  ARG  20          2HH1      ARG  20  -1.677 -15.106 -30.294
  176   HH21  ARG  20          1HH2      ARG  20  -2.904 -16.674 -27.419
  177   HH22  ARG  20          2HH2      ARG  20  -1.774 -16.775 -28.727
  178    H    HIS  21           H        HIS  21  -5.277 -10.586 -25.384
  179    HA   HIS  21           HA       HIS  21  -6.388 -12.620 -23.635
  180    HB2  HIS  21          2HB       HIS  21  -4.321 -12.375 -22.359
  181    HB3  HIS  21          3HB       HIS  21  -3.961 -12.568 -24.072
  182    HD1  HIS  21           HD1      HIS  21  -1.919 -11.281 -22.165
  183    HD2  HIS  21           HD2      HIS  21  -4.675  -9.144 -24.422
  184    HE1  HIS  21           HE1      HIS  21  -0.949  -8.973 -22.402
  185    H    SER  22           H        SER  22  -6.554  -9.260 -23.991
  186    HA   SER  22           HA       SER  22  -6.612  -8.229 -21.447
  187    HB2  SER  22          2HB       SER  22  -7.140  -7.192 -23.863
  188    HB3  SER  22          3HB       SER  22  -8.792  -7.342 -23.266
  189    HG   SER  22           HG       SER  22  -7.570  -5.321 -22.788
  190    H    ARG  23           H        ARG  23  -8.790 -10.474 -22.872
  191    HA   ARG  23           HA       ARG  23 -11.085 -10.000 -21.309
  192    HB2  ARG  23          2HB       ARG  23 -10.048 -12.270 -22.933
  193    HB3  ARG  23          3HB       ARG  23 -11.342 -12.609 -21.792
  194    HG2  ARG  23          2HG       ARG  23 -11.739 -10.259 -23.523
  195    HG3  ARG  23          3HG       ARG  23 -11.750 -11.831 -24.326
  196    HD2  ARG  23          2HD       ARG  23 -13.297 -11.710 -21.835
  197    HD3  ARG  23          3HD       ARG  23 -13.904 -10.677 -23.129
  198    HE   ARG  23           HE       ARG  23 -14.079 -13.509 -22.992
  199   HH11  ARG  23          1HH1      ARG  23 -13.668 -10.861 -25.214
  200   HH12  ARG  23          2HH1      ARG  23 -14.350 -11.714 -26.560
  201   HH21  ARG  23          1HH2      ARG  23 -14.979 -14.642 -24.755
  202   HH22  ARG  23          2HH2      ARG  23 -15.096 -13.864 -26.297
  203    H    LEU  24           H        LEU  24  -8.129 -11.763 -20.692
  204    HA   LEU  24           HA       LEU  24  -9.185 -12.744 -18.142
  205    HB2  LEU  24          2HB       LEU  24  -7.366 -14.240 -18.071
  206    HB3  LEU  24          3HB       LEU  24  -7.965 -14.266 -19.729
  207    HG   LEU  24           HG       LEU  24  -6.061 -12.552 -20.170
  208   HD11  LEU  24          1HD1      LEU  24  -4.104 -13.382 -18.585
  209   HD12  LEU  24          2HD1      LEU  24  -5.442 -13.562 -17.452
  210   HD13  LEU  24          3HD1      LEU  24  -5.112 -11.992 -18.183
  211   HD21  LEU  24          1HD2      LEU  24  -4.435 -14.539 -20.345
  212   HD22  LEU  24          2HD2      LEU  24  -5.936 -14.601 -21.269
  213   HD23  LEU  24          3HD2      LEU  24  -5.788 -15.509 -19.764
  214    H    GLN  25           H        GLN  25  -7.401 -10.185 -19.406
  215    HA   GLN  25           HA       GLN  25  -5.789  -9.766 -17.023
  216    HB2  GLN  25          2HB       GLN  25  -4.455  -8.735 -18.482
  217    HB3  GLN  25          3HB       GLN  25  -5.657  -8.934 -19.750
  218    HG2  GLN  25          2HG       GLN  25  -5.147  -6.627 -19.609
  219    HG3  GLN  25          3HG       GLN  25  -6.757  -6.852 -18.926
  220   HE21  GLN  25          1HE2      GLN  25  -6.948  -5.327 -17.433
  221   HE22  GLN  25          2HE2      GLN  25  -5.831  -5.032 -16.148
  222    H    ARG  26           H        ARG  26  -8.593  -8.365 -18.639
  223    HA   ARG  26           HA       ARG  26  -8.937  -6.055 -17.166
  224    HB2  ARG  26          2HB       ARG  26 -10.470  -7.581 -18.984
  225    HB3  ARG  26          3HB       ARG  26 -11.493  -7.297 -17.582
  226    HG2  ARG  26          2HG       ARG  26 -11.083  -4.891 -17.777
  227    HG3  ARG  26          3HG       ARG  26 -10.079  -5.186 -19.198
  228    HD2  ARG  26          2HD       ARG  26 -12.951  -6.062 -19.016
  229    HD3  ARG  26          3HD       ARG  26 -12.472  -4.482 -19.635
  230    HE   ARG  26           HE       ARG  26 -10.988  -6.280 -21.068
  231   HH11  ARG  26          1HH1      ARG  26 -14.381  -5.761 -20.489
  232   HH12  ARG  26          2HH1      ARG  26 -14.873  -6.390 -22.026
  233   HH21  ARG  26          1HH2      ARG  26 -11.623  -7.111 -23.095
  234   HH22  ARG  26          2HH2      ARG  26 -13.304  -7.159 -23.508
  Start of MODEL    8
    1    H1   TYR   1           H        TYR   1   2.341  -2.675  -2.516
    2    HA   TYR   1           HA       TYR   1   1.391  -1.236  -1.024
    3    HB2  TYR   1          2HB       TYR   1   4.231  -0.248  -0.705
    4    HB3  TYR   1          3HB       TYR   1   2.932  -0.117   0.475
    5    HD1  TYR   1           HD1      TYR   1   5.317  -2.403  -1.132
    6    HD2  TYR   1           HD2      TYR   1   2.291  -2.005   1.833
    7    HE1  TYR   1           HE1      TYR   1   5.992  -4.561  -0.162
    8    HE2  TYR   1           HE2      TYR   1   2.958  -4.161   2.811
    9    HH   TYR   1           HH       TYR   1   5.542  -5.549   2.617
   10    H    TYR   2           H        TYR   2   3.982   0.724  -2.501
   11    HA   TYR   2           HA       TYR   2   2.051   2.902  -2.841
   12    HB2  TYR   2          2HB       TYR   2   4.513   3.902  -3.587
   13    HB3  TYR   2          3HB       TYR   2   3.775   4.072  -1.998
   14    HD1  TYR   2           HD1      TYR   2   6.052   1.900  -3.978
   15    HD2  TYR   2           HD2      TYR   2   4.797   3.141  -0.106
   16    HE1  TYR   2           HE1      TYR   2   7.933   0.669  -2.980
   17    HE2  TYR   2           HE2      TYR   2   6.675   1.914   0.902
   18    HH   TYR   2           HH       TYR   2   8.136  -0.066   0.259
   19    H    HIS   3           H        HIS   3   4.312   0.878  -4.629
   20    HA   HIS   3           HA       HIS   3   4.274   2.101  -7.104
   21    HB2  HIS   3          2HB       HIS   3   5.341  -0.203  -6.123
   22    HB3  HIS   3          3HB       HIS   3   4.088  -0.843  -7.182
   23    HD1  HIS   3           HD1      HIS   3   6.850  -1.483  -8.024
   24    HD2  HIS   3           HD2      HIS   3   4.998   2.070  -9.124
   25    HE1  HIS   3           HE1      HIS   3   8.067  -0.699 -10.080
   26    H    PHE   4           H        PHE   4   1.715   0.537  -5.455
   27    HA   PHE   4           HA       PHE   4   0.137  -0.342  -7.599
   28    HB2  PHE   4          2HB       PHE   4  -0.393   0.417  -4.761
   29    HB3  PHE   4          3HB       PHE   4  -1.768   0.233  -5.845
   30    HD1  PHE   4           HD1      PHE   4  -2.821  -1.742  -5.309
   31    HD2  PHE   4           HD2      PHE   4   1.426  -1.665  -5.570
   32    HE1  PHE   4           HE1      PHE   4  -2.760  -4.178  -4.971
   33    HE2  PHE   4           HE2      PHE   4   1.494  -4.101  -5.234
   34    HZ   PHE   4           HZ       PHE   4  -0.600  -5.361  -4.934
   35    H    TRP   5           H        TRP   5   0.981   2.797  -6.635
   36    HA   TRP   5           HA       TRP   5  -1.338   4.214  -7.425
   37    HB2  TRP   5          2HB       TRP   5  -0.017   6.184  -7.251
   38    HB3  TRP   5          3HB       TRP   5   0.573   5.088  -6.004
   39    HD1  TRP   5           HD1      TRP   5   2.593   3.331  -7.590
   40    HE1  TRP   5           HE1      TRP   5   4.751   4.347  -8.557
   41    HE3  TRP   5           HE3      TRP   5   1.175   8.240  -7.756
   42    HZ2  TRP   5           HZ2      TRP   5   5.723   6.893  -9.293
   43    HZ3  TRP   5           HZ3      TRP   5   2.778   9.903  -8.604
   44    HH2  TRP   5           HH2      TRP   5   5.005   9.241  -9.355
   45    H    HIS   6           H        HIS   6   1.509   3.092  -9.153
   46    HA   HIS   6           HA       HIS   6   0.382   4.184 -11.646
   47    HB2  HIS   6          2HB       HIS   6   2.854   4.650 -10.705
   48    HB3  HIS   6          3HB       HIS   6   3.171   3.166 -11.597
   49    HD1  HIS   6           HD1      HIS   6   0.957   4.008 -13.845
   50    HD2  HIS   6           HD2      HIS   6   4.297   6.145 -12.602
   51    HE1  HIS   6           HE1      HIS   6   1.516   5.551 -15.751
   52    H    ARG   7           H        ARG   7   1.748   1.315 -10.121
   53    HA   ARG   7           HA       ARG   7   1.545  -0.345 -12.428
   54    HB2  ARG   7          2HB       ARG   7   1.666  -1.180  -9.526
   55    HB3  ARG   7          3HB       ARG   7   2.034  -2.184 -10.922
   56    HG2  ARG   7          2HG       ARG   7   3.565   0.329 -10.356
   57    HG3  ARG   7          3HG       ARG   7   3.985  -1.208  -9.596
   58    HD2  ARG   7          2HD       ARG   7   5.287  -1.449 -11.422
   59    HD3  ARG   7          3HD       ARG   7   3.782  -1.988 -12.166
   60    HE   ARG   7           HE       ARG   7   3.898   0.769 -12.466
   61   HH11  ARG   7          1HH1      ARG   7   5.699  -2.028 -13.492
   62   HH12  ARG   7          2HH1      ARG   7   6.239  -1.300 -14.968
   63   HH21  ARG   7          1HH2      ARG   7   4.603   1.738 -14.407
   64   HH22  ARG   7          2HH2      ARG   7   5.616   0.842 -15.487
   65    H    GLY   8           H        GLY   8  -0.259  -0.542  -9.350
   66    HA2  GLY   8          2HA       GLY   8  -2.274  -2.229 -10.287
   67    HA3  GLY   8          3HA       GLY   8  -2.426  -1.151  -8.908
   68    H    VAL   9           H        VAL   9  -1.801   1.129 -10.858
   69    HA   VAL   9           HA       VAL   9  -4.581   1.567 -11.614
   70    HB   VAL   9           HB       VAL   9  -2.247   3.478 -11.769
   71   HG11  VAL   9          1HG1      VAL   9  -4.992   3.616 -12.669
   72   HG12  VAL   9          2HG1      VAL   9  -4.623   4.892 -11.507
   73   HG13  VAL   9          3HG1      VAL   9  -3.651   4.721 -12.970
   74   HG21  VAL   9          1HG2      VAL   9  -4.217   2.876  -9.597
   75   HG22  VAL   9          2HG2      VAL   9  -2.468   3.077  -9.491
   76   HG23  VAL   9          3HG2      VAL   9  -3.503   4.482  -9.744
   77    H    THR  10           H        THR  10  -1.704   0.515 -13.036
   78    HA   THR  10           HA       THR  10  -1.822   1.611 -15.604
   79    HB   THR  10           HB       THR  10   0.000   0.105 -14.521
   80    HG1  THR  10           HG1      THR  10   0.831   0.190 -16.473
   81   HG21  THR  10          1HG2      THR  10  -0.173  -2.156 -14.644
   82   HG22  THR  10          2HG2      THR  10  -1.154  -2.110 -16.109
   83   HG23  THR  10          3HG2      THR  10  -1.896  -1.794 -14.540
   84    H    LYS  11           H        LYS  11  -3.958  -0.525 -14.071
   85    HA   LYS  11           HA       LYS  11  -4.851  -2.215 -16.057
   86    HB2  LYS  11          2HB       LYS  11  -6.296  -2.751 -14.445
   87    HB3  LYS  11          3HB       LYS  11  -5.771  -1.346 -13.526
   88    HG2  LYS  11          2HG       LYS  11  -7.463   0.020 -14.619
   89    HG3  LYS  11          3HG       LYS  11  -7.977  -1.371 -15.578
   90    HD2  LYS  11          2HD       LYS  11  -7.912  -1.823 -12.675
   91    HD3  LYS  11          3HD       LYS  11  -9.092  -0.627 -13.214
   92    HE2  LYS  11          2HE       LYS  11  -8.860  -3.306 -14.544
   93    HE3  LYS  11          3HE       LYS  11  -9.820  -3.090 -13.081
   94    HZ1  LYS  11          1HZ       LYS  11 -10.250  -1.933 -15.758
   95    HZ2  LYS  11          2HZ       LYS  11 -10.903  -1.185 -14.389
   96    HZ3  LYS  11          3HZ       LYS  11 -11.341  -2.773 -14.775
   97    H    ARG  12           H        ARG  12  -5.696   1.176 -15.514
   98    HA   ARG  12           HA       ARG  12  -7.519   1.214 -17.759
   99    HB2  ARG  12          2HB       ARG  12  -7.532   3.722 -17.224
  100    HB3  ARG  12          3HB       ARG  12  -8.192   2.629 -16.015
  101    HG2  ARG  12          2HG       ARG  12  -6.640   3.172 -14.501
  102    HG3  ARG  12          3HG       ARG  12  -5.339   3.178 -15.693
  103    HD2  ARG  12          2HD       ARG  12  -5.769   5.399 -14.661
  104    HD3  ARG  12          3HD       ARG  12  -5.930   5.384 -16.417
  105    HE   ARG  12           HE       ARG  12  -8.421   4.953 -15.079
  106   HH11  ARG  12          1HH1      ARG  12  -6.159   7.383 -16.128
  107   HH12  ARG  12          2HH1      ARG  12  -7.350   8.637 -16.224
  108   HH21  ARG  12          1HH2      ARG  12  -9.999   6.596 -15.201
  109   HH22  ARG  12          2HH2      ARG  12  -9.534   8.189 -15.695
  110    H    SER  13           H        SER  13  -4.180   1.708 -17.219
  111    HA   SER  13           HA       SER  13  -3.790   3.402 -19.538
  112    HB2  SER  13          2HB       SER  13  -2.246   2.651 -17.220
  113    HB3  SER  13          3HB       SER  13  -1.303   2.389 -18.687
  114    HG   SER  13           HG       SER  13  -2.731   4.782 -18.397
  115    H    LEU  14           H        LEU  14  -3.958   0.068 -18.844
  116    HA   LEU  14           HA       LEU  14  -2.490  -0.655 -21.274
  117    HB2  LEU  14          2HB       LEU  14  -2.601  -2.939 -20.464
  118    HB3  LEU  14          3HB       LEU  14  -1.919  -1.869 -19.241
  119    HG   LEU  14           HG       LEU  14  -4.427  -1.855 -18.381
  120   HD11  LEU  14          1HD1      LEU  14  -4.748  -3.559 -20.459
  121   HD12  LEU  14          2HD1      LEU  14  -5.755  -3.552 -19.012
  122   HD13  LEU  14          3HD1      LEU  14  -4.416  -4.691 -19.148
  123   HD21  LEU  14          1HD2      LEU  14  -2.976  -2.545 -16.785
  124   HD22  LEU  14          2HD2      LEU  14  -2.124  -3.640 -17.874
  125   HD23  LEU  14          3HD2      LEU  14  -3.671  -4.119 -17.174
  126    H    SER  15           H        SER  15  -5.684  -0.653 -19.857
  127    HA   SER  15           HA       SER  15  -7.242  -2.326 -21.166
  128    HB2  SER  15          2HB       SER  15  -8.484   0.172 -21.715
  129    HB3  SER  15          3HB       SER  15  -8.812  -0.936 -20.383
  130    HG   SER  15           HG       SER  15  -8.058   1.360 -19.952
  131    HA   PRO  16           HA       PRO  16  -7.190   0.052 -25.371
  132    HB2  PRO  16          2HB       PRO  16  -5.376   2.053 -25.648
  133    HB3  PRO  16          3HB       PRO  16  -7.009   2.316 -25.023
  134    HG2  PRO  16          2HG       PRO  16  -4.434   2.013 -23.527
  135    HG3  PRO  16          3HG       PRO  16  -5.757   3.161 -23.255
  136    HD2  PRO  16          2HD       PRO  16  -5.444   0.921 -21.766
  137    HD3  PRO  16          3HD       PRO  16  -7.039   1.612 -22.129
  138    H    HIS  17           H        HIS  17  -5.849  -2.195 -24.834
  139    HA   HIS  17           HA       HIS  17  -3.521  -2.004 -26.598
  140    HB2  HIS  17          2HB       HIS  17  -2.097  -3.252 -25.185
  141    HB3  HIS  17          3HB       HIS  17  -2.828  -2.037 -24.140
  142    HD1  HIS  17           HD1      HIS  17  -1.654  -4.806 -23.164
  143    HD2  HIS  17           HD2      HIS  17  -5.668  -3.948 -23.808
  144    HE1  HIS  17           HE1      HIS  17  -2.929  -6.448 -21.748
  145    H    ARG  18           H        ARG  18  -2.722  -4.610 -26.604
  146    HA   ARG  18           HA       ARG  18  -4.386  -5.850 -28.394
  147    HB2  ARG  18          2HB       ARG  18  -2.244  -6.824 -26.566
  148    HB3  ARG  18          3HB       ARG  18  -3.241  -8.024 -27.377
  149    HG2  ARG  18          2HG       ARG  18  -2.580  -7.237 -29.524
  150    HG3  ARG  18          3HG       ARG  18  -1.780  -5.829 -28.822
  151    HD2  ARG  18          2HD       ARG  18   0.092  -7.043 -28.888
  152    HD3  ARG  18          3HD       ARG  18  -0.581  -7.940 -27.527
  153    HE   ARG  18           HE       ARG  18  -0.963  -9.723 -28.923
  154   HH11  ARG  18          1HH1      ARG  18  -0.203  -6.901 -30.815
  155   HH12  ARG  18          2HH1      ARG  18  -0.059  -7.777 -32.303
  156   HH21  ARG  18          1HH2      ARG  18  -0.776 -10.887 -30.875
  157   HH22  ARG  18          2HH2      ARG  18  -0.386 -10.044 -32.336
  158    HA   PRO  19           HA       PRO  19  -7.775  -6.819 -25.582
  159    HB2  PRO  19          2HB       PRO  19  -9.529  -7.434 -27.561
  160    HB3  PRO  19          3HB       PRO  19  -9.167  -5.772 -27.080
  161    HG2  PRO  19          2HG       PRO  19  -8.095  -7.354 -29.384
  162    HG3  PRO  19          3HG       PRO  19  -8.635  -5.665 -29.341
  163    HD2  PRO  19          2HD       PRO  19  -6.019  -6.361 -29.258
  164    HD3  PRO  19          3HD       PRO  19  -6.652  -4.923 -28.431
  165    H    ARG  20           H        ARG  20  -5.841  -8.735 -27.501
  166    HA   ARG  20           HA       ARG  20  -7.268 -11.146 -27.674
  167    HB2  ARG  20          2HB       ARG  20  -5.387 -11.226 -28.976
  168    HB3  ARG  20          3HB       ARG  20  -4.408 -10.354 -27.805
  169    HG2  ARG  20          2HG       ARG  20  -3.672 -12.669 -28.085
  170    HG3  ARG  20          3HG       ARG  20  -4.214 -12.342 -26.438
  171    HD2  ARG  20          2HD       ARG  20  -6.449 -13.214 -27.970
  172    HD3  ARG  20          3HD       ARG  20  -5.119 -14.341 -28.234
  173    HE   ARG  20           HE       ARG  20  -5.372 -13.795 -25.481
  174   HH11  ARG  20          1HH1      ARG  20  -6.973 -15.486 -28.068
  175   HH12  ARG  20          2HH1      ARG  20  -7.689 -16.671 -27.026
  176   HH21  ARG  20          1HH2      ARG  20  -6.308 -15.348 -24.098
  177   HH22  ARG  20          2HH2      ARG  20  -7.311 -16.591 -24.768
  178    H    HIS  21           H        HIS  21  -4.624 -10.404 -25.393
  179    HA   HIS  21           HA       HIS  21  -5.611 -12.458 -23.588
  180    HB2  HIS  21          2HB       HIS  21  -3.558 -12.080 -22.335
  181    HB3  HIS  21          3HB       HIS  21  -3.188 -12.272 -24.046
  182    HD1  HIS  21           HD1      HIS  21  -1.277 -10.816 -22.069
  183    HD2  HIS  21           HD2      HIS  21  -4.049  -8.929 -24.521
  184    HE1  HIS  21           HE1      HIS  21  -0.430  -8.466 -22.355
  185    H    SER  22           H        SER  22  -6.009  -9.143 -24.053
  186    HA   SER  22           HA       SER  22  -6.099  -8.025 -21.544
  187    HB2  SER  22          2HB       SER  22  -6.671  -7.062 -23.946
  188    HB3  SER  22          3HB       SER  22  -8.327  -7.384 -23.430
  189    HG   SER  22           HG       SER  22  -7.397  -5.241 -22.919
  190    H    ARG  23           H        ARG  23  -8.198 -10.405 -22.907
  191    HA   ARG  23           HA       ARG  23 -10.414 -10.013 -21.166
  192    HB2  ARG  23          2HB       ARG  23  -9.545 -12.093 -23.101
  193    HB3  ARG  23          3HB       ARG  23 -10.704 -12.582 -21.871
  194    HG2  ARG  23          2HG       ARG  23 -12.268 -10.917 -22.595
  195    HG3  ARG  23          3HG       ARG  23 -11.086 -10.233 -23.712
  196    HD2  ARG  23          2HD       ARG  23 -11.050 -12.431 -24.897
  197    HD3  ARG  23          3HD       ARG  23 -12.376 -12.952 -23.858
  198    HE   ARG  23           HE       ARG  23 -12.907 -10.496 -25.248
  199   HH11  ARG  23          1HH1      ARG  23 -12.999 -13.971 -25.451
  200   HH12  ARG  23          2HH1      ARG  23 -14.241 -13.997 -26.659
  201   HH21  ARG  23          1HH2      ARG  23 -14.543 -10.518 -26.837
  202   HH22  ARG  23          2HH2      ARG  23 -15.118 -12.033 -27.447
  203    H    LEU  24           H        LEU  24  -7.398 -11.727 -20.920
  204    HA   LEU  24           HA       LEU  24  -8.257 -13.040 -18.448
  205    HB2  LEU  24          2HB       LEU  24  -5.509 -13.399 -19.484
  206    HB3  LEU  24          3HB       LEU  24  -6.609 -14.571 -18.760
  207    HG   LEU  24           HG       LEU  24  -7.016 -13.518 -21.546
  208   HD11  LEU  24          1HD1      LEU  24  -5.982 -15.858 -22.101
  209   HD12  LEU  24          2HD1      LEU  24  -5.147 -15.622 -20.566
  210   HD13  LEU  24          3HD1      LEU  24  -4.945 -14.450 -21.868
  211   HD21  LEU  24          1HD2      LEU  24  -8.930 -14.602 -20.560
  212   HD22  LEU  24          2HD2      LEU  24  -7.944 -15.982 -20.075
  213   HD23  LEU  24          3HD2      LEU  24  -8.231 -15.660 -21.786
  214    H    GLN  25           H        GLN  25  -6.629 -10.277 -19.516
  215    HA   GLN  25           HA       GLN  25  -4.955 -10.028 -17.152
  216    HB2  GLN  25          2HB       GLN  25  -3.706  -8.807 -18.536
  217    HB3  GLN  25          3HB       GLN  25  -4.935  -8.940 -19.787
  218    HG2  GLN  25          2HG       GLN  25  -4.521  -6.636 -19.451
  219    HG3  GLN  25          3HG       GLN  25  -6.094  -6.991 -18.739
  220   HE21  GLN  25          1HE2      GLN  25  -6.295  -5.624 -17.102
  221   HE22  GLN  25          2HE2      GLN  25  -5.143  -5.395 -15.835
  222    H    ARG  26           H        ARG  26  -7.863  -8.597 -18.538
  223    HA   ARG  26           HA       ARG  26  -8.246  -6.445 -16.857
  224    HB2  ARG  26          2HB       ARG  26  -9.783  -7.869 -18.745
  225    HB3  ARG  26          3HB       ARG  26 -10.759  -7.778 -17.285
  226    HG2  ARG  26          2HG       ARG  26  -9.437  -5.354 -18.456
  227    HG3  ARG  26          3HG       ARG  26 -11.021  -5.915 -18.997
  228    HD2  ARG  26          2HD       ARG  26 -10.690  -5.705 -16.082
  229    HD3  ARG  26          3HD       ARG  26 -10.620  -4.175 -16.957
  230    HE   ARG  26           HE       ARG  26 -12.929  -5.833 -16.549
  231   HH11  ARG  26          1HH1      ARG  26 -11.467  -3.425 -18.594
  232   HH12  ARG  26          2HH1      ARG  26 -12.978  -2.842 -19.210
  233   HH21  ARG  26          1HH2      ARG  26 -14.924  -5.075 -17.352
  234   HH22  ARG  26          2HH2      ARG  26 -14.944  -3.781 -18.502
  Start of MODEL    9
    1    H1   TYR   1           H        TYR   1   3.502  -0.684   0.479
    2    HA   TYR   1           HA       TYR   1   3.546  -0.633  -1.957
    3    HB2  TYR   1          2HB       TYR   1   0.811  -0.809  -0.703
    4    HB3  TYR   1          3HB       TYR   1   1.074  -1.109  -2.417
    5    HD1  TYR   1           HD1      TYR   1   2.288  -2.204   0.937
    6    HD2  TYR   1           HD2      TYR   1   1.596  -3.256  -3.127
    7    HE1  TYR   1           HE1      TYR   1   2.887  -4.535   1.445
    8    HE2  TYR   1           HE2      TYR   1   2.192  -5.590  -2.630
    9    HH   TYR   1           HH       TYR   1   3.758  -6.531   0.169
   10    H    TYR   2           H        TYR   2   4.271   1.467  -2.572
   11    HA   TYR   2           HA       TYR   2   2.178   3.467  -3.027
   12    HB2  TYR   2          2HB       TYR   2   4.562   4.608  -3.831
   13    HB3  TYR   2          3HB       TYR   2   3.803   4.814  -2.256
   14    HD1  TYR   2           HD1      TYR   2   4.868   4.054  -0.308
   15    HD2  TYR   2           HD2      TYR   2   6.265   2.735  -4.105
   16    HE1  TYR   2           HE1      TYR   2   6.826   3.033   0.774
   17    HE2  TYR   2           HE2      TYR   2   8.227   1.709  -3.033
   18    HH   TYR   2           HH       TYR   2   8.457   1.210   0.288
   19    H    HIS   3           H        HIS   3   4.594   1.532  -4.706
   20    HA   HIS   3           HA       HIS   3   4.488   2.603  -7.242
   21    HB2  HIS   3          2HB       HIS   3   5.369   0.571  -8.034
   22    HB3  HIS   3          3HB       HIS   3   5.909   0.653  -6.359
   23    HD1  HIS   3           HD1      HIS   3   3.560  -0.460  -4.849
   24    HD2  HIS   3           HD2      HIS   3   4.870  -2.052  -8.456
   25    HE1  HIS   3           HE1      HIS   3   2.725  -2.832  -4.881
   26    H    PHE   4           H        PHE   4   2.046   0.872  -5.535
   27    HA   PHE   4           HA       PHE   4   0.526  -0.154  -7.642
   28    HB2  PHE   4          2HB       PHE   4   0.291  -0.139  -4.921
   29    HB3  PHE   4          3HB       PHE   4  -1.020   0.939  -5.388
   30    HD1  PHE   4           HD1      PHE   4  -3.074   0.000  -5.767
   31    HD2  PHE   4           HD2      PHE   4   0.415  -2.356  -6.395
   32    HE1  PHE   4           HE1      PHE   4  -4.486  -1.945  -6.294
   33    HE2  PHE   4           HE2      PHE   4  -0.991  -4.304  -6.924
   34    HZ   PHE   4           HZ       PHE   4  -3.445  -4.100  -6.874
   35    H    TRP   5           H        TRP   5   1.144   3.068  -6.774
   36    HA   TRP   5           HA       TRP   5  -1.262   4.294  -7.618
   37    HB2  TRP   5          2HB       TRP   5  -0.092   6.352  -7.485
   38    HB3  TRP   5          3HB       TRP   5   0.601   5.333  -6.227
   39    HD1  TRP   5           HD1      TRP   5   2.741   3.714  -7.781
   40    HE1  TRP   5           HE1      TRP   5   4.792   4.873  -8.817
   41    HE3  TRP   5           HE3      TRP   5   0.909   8.476  -8.094
   42    HZ2  TRP   5           HZ2      TRP   5   5.535   7.464  -9.655
   43    HZ3  TRP   5           HZ3      TRP   5   2.354  10.237  -9.024
   44    HH2  TRP   5           HH2      TRP   5   4.619   9.740  -9.788
   45    H    HIS   6           H        HIS   6   1.657   3.306  -9.304
   46    HA   HIS   6           HA       HIS   6   0.468   4.235 -11.833
   47    HB2  HIS   6          2HB       HIS   6   2.973   4.773 -10.833
   48    HB3  HIS   6          3HB       HIS   6   3.284   3.419 -11.916
   49    HD1  HIS   6           HD1      HIS   6   1.172   6.583 -12.212
   50    HD2  HIS   6           HD2      HIS   6   3.994   4.384 -14.325
   51    HE1  HIS   6           HE1      HIS   6   1.502   7.818 -14.377
   52    H    ARG   7           H        ARG   7   2.054   1.529 -10.222
   53    HA   ARG   7           HA       ARG   7   1.967  -0.219 -12.470
   54    HB2  ARG   7          2HB       ARG   7   2.156  -0.944  -9.542
   55    HB3  ARG   7          3HB       ARG   7   2.593  -1.965 -10.905
   56    HG2  ARG   7          2HG       ARG   7   4.011   0.532 -11.029
   57    HG3  ARG   7          3HG       ARG   7   4.252  -0.247  -9.464
   58    HD2  ARG   7          2HD       ARG   7   5.496  -1.888 -10.348
   59    HD3  ARG   7          3HD       ARG   7   4.412  -2.089 -11.724
   60    HE   ARG   7           HE       ARG   7   5.820   0.281 -12.104
   61   HH11  ARG   7          1HH1      ARG   7   6.460  -3.135 -11.902
   62   HH12  ARG   7          2HH1      ARG   7   7.840  -3.071 -12.947
   63   HH21  ARG   7          1HH2      ARG   7   7.635   0.379 -13.482
   64   HH22  ARG   7          2HH2      ARG   7   8.508  -1.071 -13.845
   65    H    GLY   8           H        GLY   8   0.184  -0.439  -9.381
   66    HA2  GLY   8          2HA       GLY   8  -1.697  -2.308 -10.247
   67    HA3  GLY   8          3HA       GLY   8  -1.933  -1.190  -8.912
   68    H    VAL   9           H        VAL   9  -1.475   1.048 -10.960
   69    HA   VAL   9           HA       VAL   9  -4.281   1.252 -11.720
   70    HB   VAL   9           HB       VAL   9  -2.088   3.314 -11.977
   71   HG11  VAL   9          1HG1      VAL   9  -3.579   4.403 -13.219
   72   HG12  VAL   9          2HG1      VAL   9  -4.837   3.216 -12.868
   73   HG13  VAL   9          3HG1      VAL   9  -4.561   4.563 -11.763
   74   HG21  VAL   9          1HG2      VAL   9  -3.400   4.319  -9.993
   75   HG22  VAL   9          2HG2      VAL   9  -4.010   2.680  -9.767
   76   HG23  VAL   9          3HG2      VAL   9  -2.277   2.996  -9.680
   77    H    THR  10           H        THR  10  -1.341   0.343 -13.112
   78    HA   THR  10           HA       THR  10  -1.421   1.304 -15.697
   79    HB   THR  10           HB       THR  10   0.340  -0.214 -14.602
   80    HG1  THR  10           HG1      THR  10   0.937  -0.997 -16.713
   81   HG21  THR  10          1HG2      THR  10  -0.914  -2.505 -15.984
   82   HG22  THR  10          2HG2      THR  10  -1.643  -2.032 -14.450
   83   HG23  THR  10          3HG2      THR  10   0.065  -2.462 -14.519
   84    H    LYS  11           H        LYS  11  -3.564  -0.900 -14.164
   85    HA   LYS  11           HA       LYS  11  -4.517  -2.454 -16.233
   86    HB2  LYS  11          2HB       LYS  11  -5.898  -3.120 -14.613
   87    HB3  LYS  11          3HB       LYS  11  -5.345  -1.783 -13.613
   88    HG2  LYS  11          2HG       LYS  11  -7.085  -0.353 -14.539
   89    HG3  LYS  11          3HG       LYS  11  -7.630  -1.676 -15.574
   90    HD2  LYS  11          2HD       LYS  11  -8.325  -2.965 -13.698
   91    HD3  LYS  11          3HD       LYS  11  -7.528  -1.867 -12.569
   92    HE2  LYS  11          2HE       LYS  11  -9.649  -1.082 -12.360
   93    HE3  LYS  11          3HE       LYS  11  -9.153  -0.119 -13.751
   94    HZ1  LYS  11          1HZ       LYS  11 -10.316  -1.495 -15.208
   95    HZ2  LYS  11          2HZ       LYS  11 -11.366  -1.326 -13.893
   96    HZ3  LYS  11          3HZ       LYS  11 -10.466  -2.747 -14.079
   97    H    ARG  12           H        ARG  12  -5.346   0.885 -15.424
   98    HA   ARG  12           HA       ARG  12  -7.284   1.076 -17.555
   99    HB2  ARG  12          2HB       ARG  12  -7.892   3.071 -16.636
  100    HB3  ARG  12          3HB       ARG  12  -7.094   2.376 -15.232
  101    HG2  ARG  12          2HG       ARG  12  -4.990   3.567 -16.371
  102    HG3  ARG  12          3HG       ARG  12  -6.276   4.620 -16.965
  103    HD2  ARG  12          2HD       ARG  12  -6.416   3.922 -14.107
  104    HD3  ARG  12          3HD       ARG  12  -5.043   4.921 -14.578
  105    HE   ARG  12           HE       ARG  12  -6.492   6.658 -15.060
  106   HH11  ARG  12          1HH1      ARG  12  -8.268   3.749 -14.355
  107   HH12  ARG  12          2HH1      ARG  12  -9.794   4.558 -14.217
  108   HH21  ARG  12          1HH2      ARG  12  -8.495   7.736 -14.881
  109   HH22  ARG  12          2HH2      ARG  12  -9.922   6.826 -14.518
  110    H    SER  13           H        SER  13  -3.907   1.554 -17.172
  111    HA   SER  13           HA       SER  13  -3.646   3.331 -19.443
  112    HB2  SER  13          2HB       SER  13  -1.942   2.413 -17.271
  113    HB3  SER  13          3HB       SER  13  -1.107   2.363 -18.824
  114    HG   SER  13           HG       SER  13  -0.813   4.410 -18.329
  115    H    LEU  14           H        LEU  14  -3.766  -0.030 -18.870
  116    HA   LEU  14           HA       LEU  14  -2.449  -0.646 -21.416
  117    HB2  LEU  14          2HB       LEU  14  -2.483  -2.960 -20.685
  118    HB3  LEU  14          3HB       LEU  14  -1.728  -1.927 -19.474
  119    HG   LEU  14           HG       LEU  14  -4.167  -1.974 -18.441
  120   HD11  LEU  14          1HD1      LEU  14  -4.610  -3.610 -20.560
  121   HD12  LEU  14          2HD1      LEU  14  -5.531  -3.643 -19.057
  122   HD13  LEU  14          3HD1      LEU  14  -4.203  -4.777 -19.301
  123   HD21  LEU  14          1HD2      LEU  14  -1.812  -3.730 -18.161
  124   HD22  LEU  14          2HD2      LEU  14  -3.301  -4.293 -17.400
  125   HD23  LEU  14          3HD2      LEU  14  -2.628  -2.721 -16.967
  126    H    SER  15           H        SER  15  -5.539  -0.745 -19.785
  127    HA   SER  15           HA       SER  15  -7.163  -2.386 -21.051
  128    HB2  SER  15          2HB       SER  15  -8.494   0.086 -21.421
  129    HB3  SER  15          3HB       SER  15  -8.672  -1.046 -20.080
  130    HG   SER  15           HG       SER  15  -8.034   1.127 -19.476
  131    HA   PRO  16           HA       PRO  16  -7.425   0.150 -25.155
  132    HB2  PRO  16          2HB       PRO  16  -5.660   2.188 -25.475
  133    HB3  PRO  16          3HB       PRO  16  -7.249   2.401 -24.732
  134    HG2  PRO  16          2HG       PRO  16  -4.575   2.081 -23.425
  135    HG3  PRO  16          3HG       PRO  16  -5.892   3.198 -23.021
  136    HD2  PRO  16          2HD       PRO  16  -5.450   0.908 -21.645
  137    HD3  PRO  16          3HD       PRO  16  -7.074   1.588 -21.872
  138    H    HIS  17           H        HIS  17  -6.024  -2.096 -24.799
  139    HA   HIS  17           HA       HIS  17  -3.823  -1.801 -26.706
  140    HB2  HIS  17          2HB       HIS  17  -2.292  -3.083 -25.441
  141    HB3  HIS  17          3HB       HIS  17  -2.965  -1.920 -24.303
  142    HD1  HIS  17           HD1      HIS  17  -1.696  -4.707 -23.517
  143    HD2  HIS  17           HD2      HIS  17  -5.754  -3.881 -23.856
  144    HE1  HIS  17           HE1      HIS  17  -2.853  -6.419 -22.084
  145    H    ARG  18           H        ARG  18  -2.994  -4.395 -26.865
  146    HA   ARG  18           HA       ARG  18  -4.757  -5.588 -28.590
  147    HB2  ARG  18          2HB       ARG  18  -2.488  -6.598 -26.945
  148    HB3  ARG  18          3HB       ARG  18  -3.523  -7.784 -27.729
  149    HG2  ARG  18          2HG       ARG  18  -2.910  -7.115 -29.852
  150    HG3  ARG  18          3HG       ARG  18  -2.387  -5.519 -29.307
  151    HD2  ARG  18          2HD       ARG  18  -0.322  -6.240 -28.786
  152    HD3  ARG  18          3HD       ARG  18  -0.917  -7.758 -28.115
  153    HE   ARG  18           HE       ARG  18   0.131  -7.352 -30.718
  154   HH11  ARG  18          1HH1      ARG  18  -2.293  -9.135 -28.967
  155   HH12  ARG  18          2HH1      ARG  18  -2.323 -10.452 -30.092
  156   HH21  ARG  18          1HH2      ARG  18   0.100  -9.080 -32.206
  157   HH22  ARG  18          2HH2      ARG  18  -0.961 -10.420 -31.934
  158    HA   PRO  19           HA       PRO  19  -7.945  -6.710 -25.606
  159    HB2  PRO  19          2HB       PRO  19  -9.817  -7.274 -27.490
  160    HB3  PRO  19          3HB       PRO  19  -9.444  -5.626 -26.970
  161    HG2  PRO  19          2HG       PRO  19  -8.504  -7.106 -29.397
  162    HG3  PRO  19          3HG       PRO  19  -9.060  -5.428 -29.255
  163    HD2  PRO  19          2HD       PRO  19  -6.436  -6.090 -29.366
  164    HD3  PRO  19          3HD       PRO  19  -7.030  -4.693 -28.446
  165    H    ARG  20           H        ARG  20  -6.117  -8.526 -27.715
  166    HA   ARG  20           HA       ARG  20  -7.524 -10.948 -27.891
  167    HB2  ARG  20          2HB       ARG  20  -5.727 -10.953 -29.310
  168    HB3  ARG  20          3HB       ARG  20  -4.686 -10.112 -28.168
  169    HG2  ARG  20          2HG       ARG  20  -3.945 -12.406 -28.584
  170    HG3  ARG  20          3HG       ARG  20  -4.385 -12.148 -26.894
  171    HD2  ARG  20          2HD       ARG  20  -6.701 -12.991 -28.320
  172    HD3  ARG  20          3HD       ARG  20  -5.378 -14.092 -28.700
  173    HE   ARG  20           HE       ARG  20  -5.456 -13.654 -25.923
  174   HH11  ARG  20          1HH1      ARG  20  -7.252 -15.233 -28.454
  175   HH12  ARG  20          2HH1      ARG  20  -7.907 -16.450 -27.409
  176   HH21  ARG  20          1HH2      ARG  20  -6.312 -15.251 -24.538
  177   HH22  ARG  20          2HH2      ARG  20  -7.372 -16.459 -25.181
  178    H    HIS  21           H        HIS  21  -4.751 -10.259 -25.752
  179    HA   HIS  21           HA       HIS  21  -5.601 -12.392 -23.970
  180    HB2  HIS  21          2HB       HIS  21  -3.478 -12.031 -22.831
  181    HB3  HIS  21          3HB       HIS  21  -3.214 -12.161 -24.568
  182    HD1  HIS  21           HD1      HIS  21  -1.189 -10.755 -22.679
  183    HD2  HIS  21           HD2      HIS  21  -4.142  -8.811 -24.861
  184    HE1  HIS  21           HE1      HIS  21  -0.386  -8.385 -22.935
  185    H    SER  22           H        SER  22  -6.059  -9.066 -24.280
  186    HA   SER  22           HA       SER  22  -6.004  -8.046 -21.729
  187    HB2  SER  22          2HB       SER  22  -6.738  -7.003 -24.055
  188    HB3  SER  22          3HB       SER  22  -8.353  -7.357 -23.443
  189    HG   SER  22           HG       SER  22  -8.171  -5.720 -22.151
  190    H    ARG  23           H        ARG  23  -8.161 -10.396 -23.052
  191    HA   ARG  23           HA       ARG  23 -10.270 -10.098 -21.166
  192    HB2  ARG  23          2HB       ARG  23  -9.529 -12.567 -22.743
  193    HB3  ARG  23          3HB       ARG  23 -11.088 -12.213 -22.011
  194    HG2  ARG  23          2HG       ARG  23 -10.580 -10.041 -23.670
  195    HG3  ARG  23          3HG       ARG  23 -10.048 -11.451 -24.588
  196    HD2  ARG  23          2HD       ARG  23 -12.732 -11.218 -23.237
  197    HD3  ARG  23          3HD       ARG  23 -12.442 -10.838 -24.934
  198    HE   ARG  23           HE       ARG  23 -11.490 -13.378 -24.628
  199   HH11  ARG  23          1HH1      ARG  23 -14.535 -11.797 -24.037
  200   HH12  ARG  23          2HH1      ARG  23 -15.480 -13.219 -24.337
  201   HH21  ARG  23          1HH2      ARG  23 -12.723 -15.256 -25.025
  202   HH22  ARG  23          2HH2      ARG  23 -14.448 -15.186 -24.897
  203    H    LEU  24           H        LEU  24  -7.226 -11.782 -21.167
  204    HA   LEU  24           HA       LEU  24  -7.918 -13.193 -18.696
  205    HB2  LEU  24          2HB       LEU  24  -5.235 -13.480 -19.907
  206    HB3  LEU  24          3HB       LEU  24  -6.278 -14.691 -19.165
  207    HG   LEU  24           HG       LEU  24  -6.858 -13.541 -21.880
  208   HD11  LEU  24          1HD1      LEU  24  -5.837 -15.843 -22.585
  209   HD12  LEU  24          2HD1      LEU  24  -4.918 -15.661 -21.091
  210   HD13  LEU  24          3HD1      LEU  24  -4.800 -14.436 -22.354
  211   HD21  LEU  24          1HD2      LEU  24  -8.135 -15.590 -22.148
  212   HD22  LEU  24          2HD2      LEU  24  -8.671 -14.713 -20.715
  213   HD23  LEU  24          3HD2      LEU  24  -7.636 -16.132 -20.545
  214    H    GLN  25           H        GLN  25  -6.390 -10.372 -19.757
  215    HA   GLN  25           HA       GLN  25  -4.579 -10.186 -17.490
  216    HB2  GLN  25          2HB       GLN  25  -3.429  -8.902 -18.903
  217    HB3  GLN  25          3HB       GLN  25  -4.730  -9.003 -20.081
  218    HG2  GLN  25          2HG       GLN  25  -4.316  -6.709 -19.683
  219    HG3  GLN  25          3HG       GLN  25  -5.842  -7.108 -18.895
  220   HE21  GLN  25          1HE2      GLN  25  -5.958  -5.804 -17.199
  221   HE22  GLN  25          2HE2      GLN  25  -4.736  -5.610 -15.994
  222    H    ARG  26           H        ARG  26  -7.579  -8.741 -18.649
  223    HA   ARG  26           HA       ARG  26  -7.883  -6.657 -16.870
  224    HB2  ARG  26          2HB       ARG  26  -9.517  -8.035 -18.712
  225    HB3  ARG  26          3HB       ARG  26 -10.404  -8.001 -17.194
  226    HG2  ARG  26          2HG       ARG  26  -9.155  -5.490 -18.194
  227    HG3  ARG  26          3HG       ARG  26 -10.649  -6.068 -18.933
  228    HD2  ARG  26          2HD       ARG  26 -11.743  -6.080 -16.765
  229    HD3  ARG  26          3HD       ARG  26 -10.242  -5.583 -15.984
  230    HE   ARG  26           HE       ARG  26 -10.806  -3.667 -17.897
  231   HH11  ARG  26          1HH1      ARG  26 -12.300  -4.937 -15.020
  232   HH12  ARG  26          2HH1      ARG  26 -13.099  -3.452 -14.622
  233   HH21  ARG  26          1HH2      ARG  26 -11.853  -1.706 -17.383
  234   HH22  ARG  26          2HH2      ARG  26 -12.845  -1.616 -15.967
  Start of MODEL   10
    1    H1   TYR   1           H        TYR   1   2.322  -0.036  -0.391
    2    HA   TYR   1           HA       TYR   1   4.103  -1.061  -2.503
    3    HB2  TYR   1          2HB       TYR   1   1.104  -1.377  -2.280
    4    HB3  TYR   1          3HB       TYR   1   2.044  -1.802  -3.706
    5    HD1  TYR   1           HD1      TYR   1   3.148  -3.880  -3.854
    6    HD2  TYR   1           HD2      TYR   1   1.552  -2.608  -0.121
    7    HE1  TYR   1           HE1      TYR   1   3.561  -6.118  -2.922
    8    HE2  TYR   1           HE2      TYR   1   1.962  -4.842   0.822
    9    HH   TYR   1           HH       TYR   1   3.129  -7.497  -1.183
   10    H    TYR   2           H        TYR   2   4.434   1.482  -2.065
   11    HA   TYR   2           HA       TYR   2   2.693   3.386  -3.022
   12    HB2  TYR   2          2HB       TYR   2   4.973   4.501  -3.821
   13    HB3  TYR   2          3HB       TYR   2   4.557   4.363  -2.117
   14    HD1  TYR   2           HD1      TYR   2   6.527   2.791  -4.835
   15    HD2  TYR   2           HD2      TYR   2   5.902   3.110  -0.638
   16    HE1  TYR   2           HE1      TYR   2   8.606   1.539  -4.436
   17    HE2  TYR   2           HE2      TYR   2   7.980   1.860  -0.228
   18    HH   TYR   2           HH       TYR   2   9.532   0.071  -2.521
   19    H    HIS   3           H        HIS   3   4.900   1.322  -4.849
   20    HA   HIS   3           HA       HIS   3   4.756   2.451  -7.351
   21    HB2  HIS   3          2HB       HIS   3   5.450   0.381  -8.226
   22    HB3  HIS   3          3HB       HIS   3   6.064   0.381  -6.576
   23    HD1  HIS   3           HD1      HIS   3   4.808  -1.947  -8.740
   24    HD2  HIS   3           HD2      HIS   3   3.634  -0.829  -4.915
   25    HE1  HIS   3           HE1      HIS   3   3.519  -3.907  -7.833
   26    H    PHE   4           H        PHE   4   2.270   0.841  -5.583
   27    HA   PHE   4           HA       PHE   4   0.591  -0.009  -7.644
   28    HB2  PHE   4          2HB       PHE   4   0.386  -0.404  -5.110
   29    HB3  PHE   4          3HB       PHE   4  -0.438   1.151  -5.063
   30    HD1  PHE   4           HD1      PHE   4  -0.643  -2.333  -6.127
   31    HD2  PHE   4           HD2      PHE   4  -2.632   1.429  -6.050
   32    HE1  PHE   4           HE1      PHE   4  -2.755  -3.441  -6.730
   33    HE2  PHE   4           HE2      PHE   4  -4.747   0.327  -6.651
   34    HZ   PHE   4           HZ       PHE   4  -4.812  -2.111  -6.991
   35    H    TRP   5           H        TRP   5   1.473   3.137  -6.717
   36    HA   TRP   5           HA       TRP   5  -0.870   4.553  -7.429
   37    HB2  TRP   5          2HB       TRP   5   0.447   6.518  -7.291
   38    HB3  TRP   5          3HB       TRP   5   1.118   5.417  -6.092
   39    HD1  TRP   5           HD1      TRP   5   3.072   3.699  -7.775
   40    HE1  TRP   5           HE1      TRP   5   5.155   4.742  -8.870
   41    HE3  TRP   5           HE3      TRP   5   1.568   8.583  -7.891
   42    HZ2  TRP   5           HZ2      TRP   5   6.044   7.297  -9.675
   43    HZ3  TRP   5           HZ3      TRP   5   3.094  10.265  -8.839
   44    HH2  TRP   5           HH2      TRP   5   5.285   9.633  -9.712
   45    H    HIS   6           H        HIS   6   1.899   3.409  -9.262
   46    HA   HIS   6           HA       HIS   6   0.680   4.495 -11.713
   47    HB2  HIS   6          2HB       HIS   6   3.211   4.916 -10.847
   48    HB3  HIS   6          3HB       HIS   6   3.454   3.471 -11.824
   49    HD1  HIS   6           HD1      HIS   6   2.279   3.750 -14.353
   50    HD2  HIS   6           HD2      HIS   6   3.411   7.179 -12.299
   51    HE1  HIS   6           HE1      HIS   6   2.461   5.550 -16.099
   52    H    ARG   7           H        ARG   7   2.126   1.633 -10.244
   53    HA   ARG   7           HA       ARG   7   1.815  -0.036 -12.531
   54    HB2  ARG   7          2HB       ARG   7   2.073  -0.859  -9.634
   55    HB3  ARG   7          3HB       ARG   7   2.374  -1.869 -11.041
   56    HG2  ARG   7          2HG       ARG   7   3.981   0.474 -11.238
   57    HG3  ARG   7          3HG       ARG   7   4.191  -0.235  -9.636
   58    HD2  ARG   7          2HD       ARG   7   5.814  -1.216 -11.085
   59    HD3  ARG   7          3HD       ARG   7   4.586  -2.436 -10.750
   60    HE   ARG   7           HE       ARG   7   4.082  -0.955 -13.153
   61   HH11  ARG   7          1HH1      ARG   7   5.804  -3.650 -11.777
   62   HH12  ARG   7          2HH1      ARG   7   5.928  -4.505 -13.279
   63   HH21  ARG   7          1HH2      ARG   7   4.239  -2.071 -15.136
   64   HH22  ARG   7          2HH2      ARG   7   5.039  -3.606 -15.189
   65    H    GLY   8           H        GLY   8   0.152  -0.216  -9.373
   66    HA2  GLY   8          2HA       GLY   8  -1.898  -1.916 -10.204
   67    HA3  GLY   8          3HA       GLY   8  -1.993  -0.824  -8.830
   68    H    VAL   9           H        VAL   9  -1.456   1.434 -10.837
   69    HA   VAL   9           HA       VAL   9  -4.269   1.865 -11.467
   70    HB   VAL   9           HB       VAL   9  -1.941   3.768 -11.758
   71   HG11  VAL   9          1HG1      VAL   9  -4.727   3.900 -12.532
   72   HG12  VAL   9          2HG1      VAL   9  -4.295   5.197 -11.416
   73   HG13  VAL   9          3HG1      VAL   9  -3.396   4.990 -12.920
   74   HG21  VAL   9          1HG2      VAL   9  -3.820   3.210  -9.493
   75   HG22  VAL   9          2HG2      VAL   9  -2.066   3.397  -9.465
   76   HG23  VAL   9          3HG2      VAL   9  -3.099   4.807  -9.696
   77    H    THR  10           H        THR  10  -1.462   0.791 -13.010
   78    HA   THR  10           HA       THR  10  -1.710   1.849 -15.586
   79    HB   THR  10           HB       THR  10   0.173   0.371 -14.572
   80    HG1  THR  10           HG1      THR  10   0.501  -0.462 -16.874
   81   HG21  THR  10          1HG2      THR  10   0.008  -1.893 -14.649
   82   HG22  THR  10          2HG2      THR  10  -1.046  -1.877 -16.063
   83   HG23  THR  10          3HG2      THR  10  -1.709  -1.539 -14.464
   84    H    LYS  11           H        LYS  11  -3.760  -0.267 -13.917
   85    HA   LYS  11           HA       LYS  11  -4.738  -1.997 -15.827
   86    HB2  LYS  11          2HB       LYS  11  -6.098  -2.511 -14.136
   87    HB3  LYS  11          3HB       LYS  11  -5.541  -1.084 -13.271
   88    HG2  LYS  11          2HG       LYS  11  -7.293   0.248 -14.306
   89    HG3  LYS  11          3HG       LYS  11  -7.839  -1.162 -15.216
   90    HD2  LYS  11          2HD       LYS  11  -7.638  -1.570 -12.314
   91    HD3  LYS  11          3HD       LYS  11  -8.847  -0.384 -12.813
   92    HE2  LYS  11          2HE       LYS  11 -10.188  -2.151 -13.113
   93    HE3  LYS  11          3HE       LYS  11  -9.265  -2.419 -14.591
   94    HZ1  LYS  11          1HZ       LYS  11  -8.107  -3.536 -12.180
   95    HZ2  LYS  11          2HZ       LYS  11  -8.240  -4.204 -13.728
   96    HZ3  LYS  11          3HZ       LYS  11  -9.561  -4.245 -12.672
   97    H    ARG  12           H        ARG  12  -5.576   1.399 -15.302
   98    HA   ARG  12           HA       ARG  12  -7.504   1.389 -17.457
   99    HB2  ARG  12          2HB       ARG  12  -7.507   3.905 -16.967
  100    HB3  ARG  12          3HB       ARG  12  -8.095   2.833 -15.704
  101    HG2  ARG  12          2HG       ARG  12  -6.480   3.430 -14.282
  102    HG3  ARG  12          3HG       ARG  12  -5.235   3.390 -15.532
  103    HD2  ARG  12          2HD       ARG  12  -5.599   5.645 -14.558
  104    HD3  ARG  12          3HD       ARG  12  -5.856   5.576 -16.301
  105    HE   ARG  12           HE       ARG  12  -8.293   5.183 -14.910
  106   HH11  ARG  12          1HH1      ARG  12  -6.001   7.644 -15.809
  107   HH12  ARG  12          2HH1      ARG  12  -7.170   8.922 -15.797
  108   HH21  ARG  12          1HH2      ARG  12  -9.842   6.856 -14.890
  109   HH22  ARG  12          2HH2      ARG  12  -9.355   8.473 -15.273
  110    H    SER  13           H        SER  13  -4.146   1.886 -17.099
  111    HA   SER  13           HA       SER  13  -3.878   3.543 -19.464
  112    HB2  SER  13          2HB       SER  13  -2.211   2.831 -17.212
  113    HB3  SER  13          3HB       SER  13  -1.344   2.579 -18.726
  114    HG   SER  13           HG       SER  13  -1.421   4.676 -19.144
  115    H    LEU  14           H        LEU  14  -3.992   0.224 -18.692
  116    HA   LEU  14           HA       LEU  14  -2.635  -0.545 -21.172
  117    HB2  LEU  14          2HB       LEU  14  -2.697  -2.812 -20.308
  118    HB3  LEU  14          3HB       LEU  14  -1.963  -1.712 -19.143
  119    HG   LEU  14           HG       LEU  14  -4.421  -1.688 -18.159
  120   HD11  LEU  14          1HD1      LEU  14  -4.475  -4.533 -18.844
  121   HD12  LEU  14          2HD1      LEU  14  -4.817  -3.451 -20.194
  122   HD13  LEU  14          3HD1      LEU  14  -5.791  -3.365 -18.726
  123   HD21  LEU  14          1HD2      LEU  14  -2.899  -2.356 -16.624
  124   HD22  LEU  14          2HD2      LEU  14  -2.094  -3.461 -17.737
  125   HD23  LEU  14          3HD2      LEU  14  -3.604  -3.938 -16.959
  126    H    SER  15           H        SER  15  -5.760  -0.524 -19.609
  127    HA   SER  15           HA       SER  15  -7.369  -2.232 -20.805
  128    HB2  SER  15          2HB       SER  15  -8.629   0.265 -21.357
  129    HB3  SER  15          3HB       SER  15  -8.920  -0.829 -20.005
  130    HG   SER  15           HG       SER  15  -8.161   1.452 -19.592
  131    HA   PRO  16           HA       PRO  16  -7.519   0.041 -25.066
  132    HB2  PRO  16          2HB       PRO  16  -5.731   2.043 -25.474
  133    HB3  PRO  16          3HB       PRO  16  -7.335   2.314 -24.782
  134    HG2  PRO  16          2HG       PRO  16  -4.693   2.059 -23.398
  135    HG3  PRO  16          3HG       PRO  16  -6.009   3.208 -23.094
  136    HD2  PRO  16          2HD       PRO  16  -5.616   1.007 -21.567
  137    HD3  PRO  16          3HD       PRO  16  -7.230   1.682 -21.873
  138    H    HIS  17           H        HIS  17  -6.142  -2.186 -24.532
  139    HA   HIS  17           HA       HIS  17  -3.894  -2.025 -26.402
  140    HB2  HIS  17          2HB       HIS  17  -2.410  -3.248 -25.024
  141    HB3  HIS  17          3HB       HIS  17  -3.095  -2.008 -23.977
  142    HD1  HIS  17           HD1      HIS  17  -1.883  -4.750 -22.983
  143    HD2  HIS  17           HD2      HIS  17  -5.921  -3.909 -23.486
  144    HE1  HIS  17           HE1      HIS  17  -3.098  -6.358 -21.478
  145    H    ARG  18           H        ARG  18  -3.088  -4.633 -26.382
  146    HA   ARG  18           HA       ARG  18  -4.815  -5.911 -28.083
  147    HB2  ARG  18          2HB       ARG  18  -2.605  -6.840 -26.315
  148    HB3  ARG  18          3HB       ARG  18  -3.634  -8.063 -27.048
  149    HG2  ARG  18          2HG       ARG  18  -3.150  -6.823 -29.257
  150    HG3  ARG  18          3HG       ARG  18  -1.810  -6.097 -28.368
  151    HD2  ARG  18          2HD       ARG  18  -1.472  -8.694 -27.721
  152    HD3  ARG  18          3HD       ARG  18  -2.181  -8.859 -29.327
  153    HE   ARG  18           HE       ARG  18  -0.095  -6.946 -29.353
  154   HH11  ARG  18          1HH1      ARG  18  -0.674 -10.376 -29.204
  155   HH12  ARG  18          2HH1      ARG  18   0.839 -10.795 -29.937
  156   HH21  ARG  18          1HH2      ARG  18   1.900  -7.485 -30.319
  157   HH22  ARG  18          2HH2      ARG  18   2.303  -9.150 -30.570
  158    HA   PRO  19           HA       PRO  19  -8.103  -6.814 -25.133
  159    HB2  PRO  19          2HB       PRO  19  -9.926  -7.471 -27.035
  160    HB3  PRO  19          3HB       PRO  19  -9.547  -5.799 -26.604
  161    HG2  PRO  19          2HG       PRO  19  -8.556  -7.433 -28.909
  162    HG3  PRO  19          3HG       PRO  19  -9.094  -5.743 -28.884
  163    HD2  PRO  19          2HD       PRO  19  -6.477  -6.439 -28.877
  164    HD3  PRO  19          3HD       PRO  19  -7.080  -4.982 -28.061
  165    H    ARG  20           H        ARG  20  -6.235  -8.774 -27.069
  166    HA   ARG  20           HA       ARG  20  -7.668 -11.187 -27.143
  167    HB2  ARG  20          2HB       ARG  20  -5.844 -11.368 -28.490
  168    HB3  ARG  20          3HB       ARG  20  -4.842 -10.370 -27.446
  169    HG2  ARG  20          2HG       ARG  20  -4.193 -12.147 -26.138
  170    HG3  ARG  20          3HG       ARG  20  -5.615 -13.107 -26.553
  171    HD2  ARG  20          2HD       ARG  20  -3.520 -12.394 -28.585
  172    HD3  ARG  20          3HD       ARG  20  -3.376 -13.818 -27.556
  173    HE   ARG  20           HE       ARG  20  -5.894 -13.877 -28.755
  174   HH11  ARG  20          1HH1      ARG  20  -2.540 -14.086 -29.665
  175   HH12  ARG  20          2HH1      ARG  20  -2.842 -15.088 -31.046
  176   HH21  ARG  20          1HH2      ARG  20  -6.304 -15.195 -30.571
  177   HH22  ARG  20          2HH2      ARG  20  -4.984 -15.717 -31.561
  178    H    HIS  21           H        HIS  21  -4.938 -10.419 -24.976
  179    HA   HIS  21           HA       HIS  21  -5.863 -12.427 -23.094
  180    HB2  HIS  21          2HB       HIS  21  -3.774 -12.000 -21.909
  181    HB3  HIS  21          3HB       HIS  21  -3.460 -12.251 -23.623
  182    HD1  HIS  21           HD1      HIS  21  -1.440 -10.756 -21.846
  183    HD2  HIS  21           HD2      HIS  21  -4.392  -8.897 -24.103
  184    HE1  HIS  21           HE1      HIS  21  -0.621  -8.408 -22.222
  185    H    SER  22           H        SER  22  -6.281  -9.118 -23.610
  186    HA   SER  22           HA       SER  22  -6.303  -7.958 -21.119
  187    HB2  SER  22          2HB       SER  22  -6.957  -7.053 -23.534
  188    HB3  SER  22          3HB       SER  22  -8.590  -7.337 -22.933
  189    HG   SER  22           HG       SER  22  -8.378  -5.731 -21.568
  190    H    ARG  23           H        ARG  23  -8.435 -10.363 -22.382
  191    HA   ARG  23           HA       ARG  23 -10.612  -9.942 -20.605
  192    HB2  ARG  23          2HB       ARG  23  -9.748 -12.126 -22.445
  193    HB3  ARG  23          3HB       ARG  23 -10.954 -12.500 -21.221
  194    HG2  ARG  23          2HG       ARG  23 -12.502 -10.997 -22.117
  195    HG3  ARG  23          3HG       ARG  23 -11.270 -10.160 -23.065
  196    HD2  ARG  23          2HD       ARG  23 -11.417 -12.978 -23.724
  197    HD3  ARG  23          3HD       ARG  23 -12.969 -12.170 -23.946
  198    HE   ARG  23           HE       ARG  23 -11.042 -10.555 -25.116
  199   HH11  ARG  23          1HH1      ARG  23 -12.336 -13.759 -25.542
  200   HH12  ARG  23          2HH1      ARG  23 -12.035 -13.795 -27.248
  201   HH21  ARG  23          1HH2      ARG  23 -10.640 -10.591 -27.361
  202   HH22  ARG  23          2HH2      ARG  23 -11.069 -11.993 -28.281
  203    H    LEU  24           H        LEU  24  -7.579 -11.630 -20.367
  204    HA   LEU  24           HA       LEU  24  -8.379 -12.870 -17.838
  205    HB2  LEU  24          2HB       LEU  24  -5.649 -13.241 -18.915
  206    HB3  LEU  24          3HB       LEU  24  -6.726 -14.398 -18.135
  207    HG   LEU  24           HG       LEU  24  -7.190 -13.434 -20.944
  208   HD11  LEU  24          1HD1      LEU  24  -5.307 -15.516 -19.936
  209   HD12  LEU  24          2HD1      LEU  24  -5.109 -14.361 -21.253
  210   HD13  LEU  24          3HD1      LEU  24  -6.151 -15.768 -21.464
  211   HD21  LEU  24          1HD2      LEU  24  -7.927 -16.142 -20.075
  212   HD22  LEU  24          2HD2      LEU  24  -8.833 -14.966 -21.028
  213   HD23  LEU  24          3HD2      LEU  24  -8.794 -14.835 -19.268
  214    H    GLN  25           H        GLN  25  -6.794 -10.130 -19.022
  215    HA   GLN  25           HA       GLN  25  -5.090  -9.795 -16.687
  216    HB2  GLN  25          2HB       GLN  25  -3.851  -8.675 -18.165
  217    HB3  GLN  25          3HB       GLN  25  -5.132  -8.771 -19.367
  218    HG2  GLN  25          2HG       GLN  25  -4.626  -6.482 -19.068
  219    HG3  GLN  25          3HG       GLN  25  -6.178  -6.775 -18.285
  220   HE21  GLN  25          1HE2      GLN  25  -6.213  -5.304 -16.711
  221   HE22  GLN  25          2HE2      GLN  25  -5.017  -5.141 -15.475
  222    H    ARG  26           H        ARG  26  -8.034  -8.466 -18.081
  223    HA   ARG  26           HA       ARG  26  -8.419  -6.220 -16.540
  224    HB2  ARG  26          2HB       ARG  26 -10.350  -6.197 -17.656
  225    HB3  ARG  26          3HB       ARG  26  -9.985  -7.809 -18.257
  226    HG2  ARG  26          2HG       ARG  26 -11.104  -8.787 -16.316
  227    HG3  ARG  26          3HG       ARG  26 -11.476  -7.167 -15.722
  228    HD2  ARG  26          2HD       ARG  26 -12.340  -8.130 -18.436
  229    HD3  ARG  26          3HD       ARG  26 -13.316  -8.386 -16.989
  230    HE   ARG  26           HE       ARG  26 -12.724  -5.692 -17.047
  231   HH11  ARG  26          1HH1      ARG  26 -14.371  -7.981 -19.089
  232   HH12  ARG  26          2HH1      ARG  26 -15.464  -6.808 -19.744
  233   HH21  ARG  26          1HH2      ARG  26 -14.157  -4.138 -17.903
  234   HH22  ARG  26          2HH2      ARG  26 -15.341  -4.622 -19.070
  Start of MODEL   11
    1    H1   TYR   1           H        TYR   1   2.369  -0.371   0.844
    2    HA   TYR   1           HA       TYR   1   2.959  -0.369  -1.408
    3    HB2  TYR   1          2HB       TYR   1   0.137  -1.055  -0.943
    4    HB3  TYR   1          3HB       TYR   1   0.522  -0.669  -2.616
    5    HD1  TYR   1           HD1      TYR   1   0.736  -3.133  -0.008
    6    HD2  TYR   1           HD2      TYR   1   2.364  -1.967  -3.762
    7    HE1  TYR   1           HE1      TYR   1   1.637  -5.401  -0.315
    8    HE2  TYR   1           HE2      TYR   1   3.268  -4.232  -4.080
    9    HH   TYR   1           HH       TYR   1   3.533  -6.250  -3.198
   10    H    TYR   2           H        TYR   2   3.756   1.436  -2.299
   11    HA   TYR   2           HA       TYR   2   1.935   3.646  -2.925
   12    HB2  TYR   2          2HB       TYR   2   4.444   4.516  -3.621
   13    HB3  TYR   2          3HB       TYR   2   3.670   4.795  -2.065
   14    HD1  TYR   2           HD1      TYR   2   5.883   2.388  -3.848
   15    HD2  TYR   2           HD2      TYR   2   4.668   4.012  -0.108
   16    HE1  TYR   2           HE1      TYR   2   7.701   1.163  -2.733
   17    HE2  TYR   2           HE2      TYR   2   6.484   2.793   1.018
   18    HH   TYR   2           HH       TYR   2   9.063   1.508  -0.515
   19    H    HIS   3           H        HIS   3   4.220   1.414  -4.417
   20    HA   HIS   3           HA       HIS   3   4.332   2.415  -6.987
   21    HB2  HIS   3          2HB       HIS   3   5.101   0.045  -5.697
   22    HB3  HIS   3          3HB       HIS   3   4.098  -0.467  -7.051
   23    HD1  HIS   3           HD1      HIS   3   6.478   2.473  -7.073
   24    HD2  HIS   3           HD2      HIS   3   6.066  -1.301  -8.759
   25    HE1  HIS   3           HE1      HIS   3   8.305   2.302  -8.793
   26    H    PHE   4           H        PHE   4   1.655   1.056  -5.340
   27    HA   PHE   4           HA       PHE   4   0.157   0.039  -7.480
   28    HB2  PHE   4          2HB       PHE   4  -0.253   0.580  -4.701
   29    HB3  PHE   4          3HB       PHE   4  -1.629   1.204  -5.605
   30    HD1  PHE   4           HD1      PHE   4   0.478  -1.845  -5.261
   31    HD2  PHE   4           HD2      PHE   4  -3.344  -0.222  -6.196
   32    HE1  PHE   4           HE1      PHE   4  -0.447  -4.120  -5.411
   33    HE2  PHE   4           HE2      PHE   4  -4.276  -2.495  -6.346
   34    HZ   PHE   4           HZ       PHE   4  -2.827  -4.447  -5.953
   35    H    TRP   5           H        TRP   5   1.040   3.226  -6.737
   36    HA   TRP   5           HA       TRP   5  -1.200   4.626  -7.753
   37    HB2  TRP   5          2HB       TRP   5   0.163   6.572  -7.674
   38    HB3  TRP   5          3HB       TRP   5   0.665   5.570  -6.316
   39    HD1  TRP   5           HD1      TRP   5   2.709   3.643  -7.654
   40    HE1  TRP   5           HE1      TRP   5   4.936   4.527  -8.595
   41    HE3  TRP   5           HE3      TRP   5   1.431   8.553  -8.286
   42    HZ2  TRP   5           HZ2      TRP   5   6.009   6.981  -9.487
   43    HZ3  TRP   5           HZ3      TRP   5   3.116  10.103  -9.188
   44    HH2  TRP   5           HH2      TRP   5   5.357   9.332  -9.774
   45    H    HIS   6           H        HIS   6   1.693   3.299  -9.242
   46    HA   HIS   6           HA       HIS   6   0.715   4.205 -11.867
   47    HB2  HIS   6          2HB       HIS   6   2.964   5.022 -11.279
   48    HB3  HIS   6          3HB       HIS   6   3.510   3.360 -11.073
   49    HD1  HIS   6           HD1      HIS   6   1.281   4.005 -13.953
   50    HD2  HIS   6           HD2      HIS   6   5.361   3.838 -13.187
   51    HE1  HIS   6           HE1      HIS   6   2.384   3.886 -16.209
   52    H    ARG   7           H        ARG   7   1.932   1.445 -10.047
   53    HA   ARG   7           HA       ARG   7   1.797  -0.397 -12.218
   54    HB2  ARG   7          2HB       ARG   7   1.754  -0.994  -9.255
   55    HB3  ARG   7          3HB       ARG   7   2.168  -2.114 -10.546
   56    HG2  ARG   7          2HG       ARG   7   3.717   0.376  -9.860
   57    HG3  ARG   7          3HG       ARG   7   4.135  -1.259  -9.342
   58    HD2  ARG   7          2HD       ARG   7   3.689  -1.065 -12.210
   59    HD3  ARG   7          3HD       ARG   7   4.982  -0.005 -11.652
   60    HE   ARG   7           HE       ARG   7   5.551  -2.373 -10.464
   61   HH11  ARG   7          1HH1      ARG   7   4.913  -1.421 -13.752
   62   HH12  ARG   7          2HH1      ARG   7   5.916  -2.654 -14.441
   63   HH21  ARG   7          1HH2      ARG   7   6.874  -4.001 -11.360
   64   HH22  ARG   7          2HH2      ARG   7   7.031  -4.121 -13.080
   65    H    GLY   8           H        GLY   8  -0.158  -0.299  -9.228
   66    HA2  GLY   8          2HA       GLY   8  -2.168  -2.013 -10.124
   67    HA3  GLY   8          3HA       GLY   8  -2.359  -0.821  -8.846
   68    H    VAL   9           H        VAL   9  -1.582   1.276 -10.941
   69    HA   VAL   9           HA       VAL   9  -4.310   1.712 -11.868
   70    HB   VAL   9           HB       VAL   9  -1.920   3.549 -12.067
   71   HG11  VAL   9          1HG1      VAL   9  -4.270   5.031 -12.036
   72   HG12  VAL   9          2HG1      VAL   9  -3.234   4.721 -13.431
   73   HG13  VAL   9          3HG1      VAL   9  -4.616   3.674 -13.107
   74   HG21  VAL   9          1HG2      VAL   9  -2.259   3.341  -9.777
   75   HG22  VAL   9          2HG2      VAL   9  -3.236   4.749 -10.194
   76   HG23  VAL   9          3HG2      VAL   9  -4.007   3.182  -9.950
   77    H    THR  10           H        THR  10  -1.398   0.480 -13.056
   78    HA   THR  10           HA       THR  10  -1.300   1.352 -15.688
   79    HB   THR  10           HB       THR  10   0.328  -0.205 -14.417
   80    HG1  THR  10           HG1      THR  10  -0.370  -0.333 -17.151
   81   HG21  THR  10          1HG2      THR  10  -1.749  -1.931 -14.382
   82   HG22  THR  10          2HG2      THR  10  -0.060  -2.432 -14.303
   83   HG23  THR  10          3HG2      THR  10  -0.920  -2.468 -15.842
   84    H    LYS  11           H        LYS  11  -3.642  -0.606 -14.151
   85    HA   LYS  11           HA       LYS  11  -4.558  -2.235 -16.204
   86    HB2  LYS  11          2HB       LYS  11  -5.990  -2.805 -14.592
   87    HB3  LYS  11          3HB       LYS  11  -5.459  -1.427 -13.637
   88    HG2  LYS  11          2HG       LYS  11  -7.139  -0.023 -14.690
   89    HG3  LYS  11          3HG       LYS  11  -7.653  -1.376 -15.700
   90    HD2  LYS  11          2HD       LYS  11  -7.614  -1.940 -12.819
   91    HD3  LYS  11          3HD       LYS  11  -8.775  -0.705 -13.312
   92    HE2  LYS  11          2HE       LYS  11  -9.847  -2.197 -14.817
   93    HE3  LYS  11          3HE       LYS  11  -8.555  -3.387 -14.663
   94    HZ1  LYS  11          1HZ       LYS  11  -9.430  -3.033 -12.110
   95    HZ2  LYS  11          2HZ       LYS  11  -9.836  -4.323 -13.125
   96    HZ3  LYS  11          3HZ       LYS  11 -10.859  -2.981 -13.014
   97    H    ARG  12           H        ARG  12  -5.320   1.148 -15.503
   98    HA   ARG  12           HA       ARG  12  -7.154   1.341 -17.725
   99    HB2  ARG  12          2HB       ARG  12  -7.736   3.391 -16.895
  100    HB3  ARG  12          3HB       ARG  12  -7.081   2.672 -15.430
  101    HG2  ARG  12          2HG       ARG  12  -4.844   3.761 -16.416
  102    HG3  ARG  12          3HG       ARG  12  -6.037   4.868 -17.098
  103    HD2  ARG  12          2HD       ARG  12  -6.213   4.128 -14.214
  104    HD3  ARG  12          3HD       ARG  12  -5.000   5.300 -14.727
  105    HE   ARG  12           HE       ARG  12  -7.406   6.107 -15.835
  106   HH11  ARG  12          1HH1      ARG  12  -6.066   5.632 -12.658
  107   HH12  ARG  12          2HH1      ARG  12  -7.047   6.854 -11.919
  108   HH21  ARG  12          1HH2      ARG  12  -8.703   7.718 -14.874
  109   HH22  ARG  12          2HH2      ARG  12  -8.547   8.040 -13.180
  110    H    SER  13           H        SER  13  -3.789   1.756 -17.189
  111    HA   SER  13           HA       SER  13  -3.383   3.480 -19.481
  112    HB2  SER  13          2HB       SER  13  -1.784   2.535 -17.226
  113    HB3  SER  13          3HB       SER  13  -0.892   2.514 -18.747
  114    HG   SER  13           HG       SER  13  -0.822   4.538 -17.551
  115    H    LEU  14           H        LEU  14  -3.603   0.135 -18.847
  116    HA   LEU  14           HA       LEU  14  -2.175  -0.563 -21.310
  117    HB2  LEU  14          2HB       LEU  14  -2.300  -2.860 -20.537
  118    HB3  LEU  14          3HB       LEU  14  -1.582  -1.818 -19.310
  119    HG   LEU  14           HG       LEU  14  -4.070  -1.788 -18.400
  120   HD11  LEU  14          1HD1      LEU  14  -5.443  -3.432 -19.058
  121   HD12  LEU  14          2HD1      LEU  14  -4.136  -4.607 -19.199
  122   HD13  LEU  14          3HD1      LEU  14  -4.438  -3.464 -20.507
  123   HD21  LEU  14          1HD2      LEU  14  -1.765  -3.570 -17.961
  124   HD22  LEU  14          2HD2      LEU  14  -3.299  -4.121 -17.289
  125   HD23  LEU  14          3HD2      LEU  14  -2.647  -2.549 -16.825
  126    H    SER  15           H        SER  15  -5.345  -0.553 -19.841
  127    HA   SER  15           HA       SER  15  -6.943  -2.185 -21.150
  128    HB2  SER  15          2HB       SER  15  -8.175   0.324 -21.645
  129    HB3  SER  15          3HB       SER  15  -8.476  -0.788 -20.309
  130    HG   SER  15           HG       SER  15  -7.594   1.560 -20.015
  131    HA   PRO  16           HA       PRO  16  -6.930   0.254 -25.321
  132    HB2  PRO  16          2HB       PRO  16  -5.102   2.241 -25.596
  133    HB3  PRO  16          3HB       PRO  16  -6.722   2.510 -24.942
  134    HG2  PRO  16          2HG       PRO  16  -4.127   2.160 -23.491
  135    HG3  PRO  16          3HG       PRO  16  -5.434   3.317 -23.182
  136    HD2  PRO  16          2HD       PRO  16  -5.120   1.053 -21.731
  137    HD3  PRO  16          3HD       PRO  16  -6.714   1.764 -22.058
  138    H    HIS  17           H        HIS  17  -5.602  -2.014 -24.833
  139    HA   HIS  17           HA       HIS  17  -3.295  -1.816 -26.627
  140    HB2  HIS  17          2HB       HIS  17  -1.874  -3.116 -25.254
  141    HB3  HIS  17          3HB       HIS  17  -2.572  -1.907 -24.180
  142    HD1  HIS  17           HD1      HIS  17  -1.432  -4.709 -23.263
  143    HD2  HIS  17           HD2      HIS  17  -5.439  -3.779 -23.849
  144    HE1  HIS  17           HE1      HIS  17  -2.716  -6.355 -21.861
  145    H    ARG  18           H        ARG  18  -2.530  -4.436 -26.686
  146    HA   ARG  18           HA       ARG  18  -4.220  -5.617 -28.489
  147    HB2  ARG  18          2HB       ARG  18  -2.088  -6.656 -26.685
  148    HB3  ARG  18          3HB       ARG  18  -3.108  -7.828 -27.509
  149    HG2  ARG  18          2HG       ARG  18  -1.773  -5.628 -29.033
  150    HG3  ARG  18          3HG       ARG  18  -0.900  -7.103 -28.610
  151    HD2  ARG  18          2HD       ARG  18  -3.561  -7.151 -30.007
  152    HD3  ARG  18          3HD       ARG  18  -2.038  -7.037 -30.888
  153    HE   ARG  18           HE       ARG  18  -1.858  -9.198 -29.131
  154   HH11  ARG  18          1HH1      ARG  18  -3.651  -8.243 -31.959
  155   HH12  ARG  18          2HH1      ARG  18  -3.878  -9.865 -32.522
  156   HH21  ARG  18          1HH2      ARG  18  -2.150 -11.338 -29.863
  157   HH22  ARG  18          2HH2      ARG  18  -3.025 -11.625 -31.329
  158    HA   PRO  19           HA       PRO  19  -7.617  -6.578 -25.684
  159    HB2  PRO  19          2HB       PRO  19  -9.387  -7.128 -27.667
  160    HB3  PRO  19          3HB       PRO  19  -8.996  -5.481 -27.158
  161    HG2  PRO  19          2HG       PRO  19  -7.957  -7.040 -29.493
  162    HG3  PRO  19          3HG       PRO  19  -8.468  -5.343 -29.419
  163    HD2  PRO  19          2HD       PRO  19  -5.864  -6.085 -29.356
  164    HD3  PRO  19          3HD       PRO  19  -6.470  -4.651 -28.502
  165    H    ARG  20           H        ARG  20  -5.718  -8.493 -27.635
  166    HA   ARG  20           HA       ARG  20  -7.183 -10.875 -27.856
  167    HB2  ARG  20          2HB       ARG  20  -5.295 -10.960 -29.150
  168    HB3  ARG  20          3HB       ARG  20  -4.307 -10.132 -27.953
  169    HG2  ARG  20          2HG       ARG  20  -3.617 -12.456 -28.282
  170    HG3  ARG  20          3HG       ARG  20  -4.159 -12.152 -26.630
  171    HD2  ARG  20          2HD       ARG  20  -6.401 -12.948 -28.195
  172    HD3  ARG  20          3HD       ARG  20  -5.093 -14.099 -28.464
  173    HE   ARG  20           HE       ARG  20  -6.610 -13.733 -26.055
  174   HH11  ARG  20          1HH1      ARG  20  -3.578 -14.814 -27.381
  175   HH12  ARG  20          2HH1      ARG  20  -3.226 -15.872 -26.055
  176   HH21  ARG  20          1HH2      ARG  20  -6.157 -15.121 -24.303
  177   HH22  ARG  20          2HH2      ARG  20  -4.694 -16.046 -24.304
  178    H    HIS  21           H        HIS  21  -4.536 -10.228 -25.551
  179    HA   HIS  21           HA       HIS  21  -5.573 -12.293 -23.787
  180    HB2  HIS  21          2HB       HIS  21  -3.518 -11.974 -22.516
  181    HB3  HIS  21          3HB       HIS  21  -3.146 -12.154 -24.228
  182    HD1  HIS  21           HD1      HIS  21  -1.198 -10.771 -22.248
  183    HD2  HIS  21           HD2      HIS  21  -3.944  -8.781 -24.649
  184    HE1  HIS  21           HE1      HIS  21  -0.301  -8.435 -22.501
  185    H    SER  22           H        SER  22  -5.891  -8.959 -24.190
  186    HA   SER  22           HA       SER  22  -5.973  -7.889 -21.661
  187    HB2  SER  22          2HB       SER  22  -6.521  -6.879 -24.058
  188    HB3  SER  22          3HB       SER  22  -8.181  -7.151 -23.530
  189    HG   SER  22           HG       SER  22  -7.937  -5.332 -22.514
  190    H    ARG  23           H        ARG  23  -8.119 -10.191 -23.084
  191    HA   ARG  23           HA       ARG  23 -10.343  -9.785 -21.364
  192    HB2  ARG  23          2HB       ARG  23  -9.461 -12.022 -23.161
  193    HB3  ARG  23          3HB       ARG  23 -10.840 -12.229 -22.090
  194    HG2  ARG  23          2HG       ARG  23 -11.425  -9.853 -23.282
  195    HG3  ARG  23          3HG       ARG  23 -10.598 -10.717 -24.580
  196    HD2  ARG  23          2HD       ARG  23 -12.127 -12.568 -24.385
  197    HD3  ARG  23          3HD       ARG  23 -12.889 -11.838 -22.972
  198    HE   ARG  23           HE       ARG  23 -13.416 -11.234 -25.714
  199   HH11  ARG  23          1HH1      ARG  23 -13.373  -9.907 -22.496
  200   HH12  ARG  23          2HH1      ARG  23 -14.555  -8.688 -22.842
  201   HH21  ARG  23          1HH2      ARG  23 -14.972  -9.634 -26.183
  202   HH22  ARG  23          2HH2      ARG  23 -15.464  -8.534 -24.939
  203    H    LEU  24           H        LEU  24  -7.360 -11.556 -21.092
  204    HA   LEU  24           HA       LEU  24  -8.273 -12.869 -18.639
  205    HB2  LEU  24          2HB       LEU  24  -5.518 -13.267 -19.635
  206    HB3  LEU  24          3HB       LEU  24  -6.651 -14.426 -18.943
  207    HG   LEU  24           HG       LEU  24  -6.985 -13.338 -21.725
  208   HD11  LEU  24          1HD1      LEU  24  -5.190 -15.503 -20.733
  209   HD12  LEU  24          2HD1      LEU  24  -4.922 -14.311 -22.004
  210   HD13  LEU  24          3HD1      LEU  24  -5.989 -15.684 -22.295
  211   HD21  LEU  24          1HD2      LEU  24  -7.847 -16.019 -20.733
  212   HD22  LEU  24          2HD2      LEU  24  -8.524 -15.027 -22.025
  213   HD23  LEU  24          3HD2      LEU  24  -8.802 -14.590 -20.338
  214    H    GLN  25           H        GLN  25  -6.604 -10.118 -19.658
  215    HA   GLN  25           HA       GLN  25  -4.971  -9.914 -17.255
  216    HB2  GLN  25          2HB       GLN  25  -3.647  -8.771 -18.638
  217    HB3  GLN  25          3HB       GLN  25  -4.874  -8.807 -19.896
  218    HG2  GLN  25          2HG       GLN  25  -4.346  -6.540 -19.516
  219    HG3  GLN  25          3HG       GLN  25  -5.929  -6.822 -18.793
  220   HE21  GLN  25          1HE2      GLN  25  -5.989  -5.393 -17.181
  221   HE22  GLN  25          2HE2      GLN  25  -4.832  -5.286 -15.903
  222    H    ARG  26           H        ARG  26  -7.837  -8.485 -18.700
  223    HA   ARG  26           HA       ARG  26  -8.241  -6.262 -17.149
  224    HB2  ARG  26          2HB       ARG  26 -10.370  -6.260 -17.952
  225    HB3  ARG  26          3HB       ARG  26  -9.710  -7.497 -19.014
  226    HG2  ARG  26          2HG       ARG  26 -11.578  -8.577 -18.324
  227    HG3  ARG  26          3HG       ARG  26 -10.483  -9.079 -17.035
  228    HD2  ARG  26          2HD       ARG  26 -11.891  -8.198 -15.561
  229    HD3  ARG  26          3HD       ARG  26 -11.543  -6.607 -16.238
  230    HE   ARG  26           HE       ARG  26 -13.587  -6.635 -17.273
  231   HH11  ARG  26          1HH1      ARG  26 -12.813  -9.844 -16.167
  232   HH12  ARG  26          2HH1      ARG  26 -14.384 -10.485 -16.520
  233   HH21  ARG  26          1HH2      ARG  26 -15.659  -7.467 -17.742
  234   HH22  ARG  26          2HH2      ARG  26 -16.001  -9.133 -17.416
  Start of MODEL   12
    1    H1   TYR   1           H        TYR   1   4.896  -2.332  -2.118
    2    HA   TYR   1           HA       TYR   1   2.650  -1.461  -1.766
    3    HB2  TYR   1          2HB       TYR   1   4.100  -1.574   0.232
    4    HB3  TYR   1          3HB       TYR   1   4.662   0.062  -0.095
    5    HD1  TYR   1           HD1      TYR   1   1.590  -1.900   0.656
    6    HD2  TYR   1           HD2      TYR   1   3.501   1.900   0.765
    7    HE1  TYR   1           HE1      TYR   1  -0.283  -1.002   1.973
    8    HE2  TYR   1           HE2      TYR   1   1.633   2.808   2.082
    9    HH   TYR   1           HH       TYR   1  -0.445   2.423   2.838
   10    H    TYR   2           H        TYR   2   5.053   0.808  -2.860
   11    HA   TYR   2           HA       TYR   2   3.036   2.918  -3.120
   12    HB2  TYR   2          2HB       TYR   2   5.417   3.974  -4.037
   13    HB3  TYR   2          3HB       TYR   2   4.771   4.157  -2.411
   14    HD1  TYR   2           HD1      TYR   2   5.925   3.287  -0.564
   15    HD2  TYR   2           HD2      TYR   2   7.000   2.025  -4.482
   16    HE1  TYR   2           HE1      TYR   2   7.896   2.138   0.354
   17    HE2  TYR   2           HE2      TYR   2   8.974   0.871  -3.575
   18    HH   TYR   2           HH       TYR   2  10.221   0.501  -1.767
   19    H    HIS   3           H        HIS   3   5.244   0.929  -5.010
   20    HA   HIS   3           HA       HIS   3   5.037   2.091  -7.498
   21    HB2  HIS   3          2HB       HIS   3   5.754   0.042  -8.411
   22    HB3  HIS   3          3HB       HIS   3   6.410   0.048  -6.776
   23    HD1  HIS   3           HD1      HIS   3   4.098  -0.988  -5.144
   24    HD2  HIS   3           HD2      HIS   3   5.116  -2.548  -8.858
   25    HE1  HIS   3           HE1      HIS   3   3.151  -3.317  -5.178
   26    H    PHE   4           H        PHE   4   2.617   0.425  -5.697
   27    HA   PHE   4           HA       PHE   4   0.920  -0.452  -7.733
   28    HB2  PHE   4          2HB       PHE   4   0.821  -0.731  -5.111
   29    HB3  PHE   4          3HB       PHE   4  -0.230   0.678  -5.215
   30    HD1  PHE   4           HD1      PHE   4  -2.469   0.467  -5.858
   31    HD2  PHE   4           HD2      PHE   4   0.206  -2.795  -6.417
   32    HE1  PHE   4           HE1      PHE   4  -4.370  -0.990  -6.423
   33    HE2  PHE   4           HE2      PHE   4  -1.690  -4.257  -6.984
   34    HZ   PHE   4           HZ       PHE   4  -3.981  -3.355  -6.988
   35    H    TRP   5           H        TRP   5   1.754   2.706  -6.805
   36    HA   TRP   5           HA       TRP   5  -0.630   4.078  -7.461
   37    HB2  TRP   5          2HB       TRP   5   0.651   6.069  -7.341
   38    HB3  TRP   5          3HB       TRP   5   1.367   4.975  -6.160
   39    HD1  TRP   5           HD1      TRP   5   3.320   3.302  -7.891
   40    HE1  TRP   5           HE1      TRP   5   5.361   4.390  -9.021
   41    HE3  TRP   5           HE3      TRP   5   1.721   8.158  -7.952
   42    HZ2  TRP   5           HZ2      TRP   5   6.184   6.966  -9.830
   43    HZ3  TRP   5           HZ3      TRP   5   3.196   9.873  -8.921
   44    HH2  TRP   5           HH2      TRP   5   5.381   9.287  -9.840
   45    H    HIS   6           H        HIS   6   2.125   3.003  -9.357
   46    HA   HIS   6           HA       HIS   6   0.832   4.073 -11.777
   47    HB2  HIS   6          2HB       HIS   6   3.124   4.919 -11.317
   48    HB3  HIS   6          3HB       HIS   6   3.725   3.267 -11.410
   49    HD1  HIS   6           HD1      HIS   6   3.275   2.079 -13.836
   50    HD2  HIS   6           HD2      HIS   6   3.125   6.229 -13.691
   51    HE1  HIS   6           HE1      HIS   6   3.536   2.845 -16.217
   52    H    ARG   7           H        ARG   7   2.370   1.237 -10.352
   53    HA   ARG   7           HA       ARG   7   2.053  -0.428 -12.640
   54    HB2  ARG   7          2HB       ARG   7   2.379  -1.256  -9.751
   55    HB3  ARG   7          3HB       ARG   7   2.674  -2.256 -11.168
   56    HG2  ARG   7          2HG       ARG   7   4.217   0.166 -11.308
   57    HG3  ARG   7          3HG       ARG   7   4.513  -0.680  -9.788
   58    HD2  ARG   7          2HD       ARG   7   5.616  -2.342 -10.803
   59    HD3  ARG   7          3HD       ARG   7   4.427  -2.454 -12.100
   60    HE   ARG   7           HE       ARG   7   5.847  -0.162 -12.612
   61   HH11  ARG   7          1HH1      ARG   7   6.593  -3.540 -12.222
   62   HH12  ARG   7          2HH1      ARG   7   7.957  -3.496 -13.290
   63   HH21  ARG   7          1HH2      ARG   7   7.640  -0.091 -14.020
   64   HH22  ARG   7          2HH2      ARG   7   8.552  -1.534 -14.311
   65    H    GLY   8           H        GLY   8   0.449  -0.660  -9.455
   66    HA2  GLY   8          2HA       GLY   8  -1.579  -2.398 -10.261
   67    HA3  GLY   8          3HA       GLY   8  -1.672  -1.317  -8.878
   68    H    VAL   9           H        VAL   9  -1.219   0.965 -10.878
   69    HA   VAL   9           HA       VAL   9  -4.051   1.341 -11.454
   70    HB   VAL   9           HB       VAL   9  -1.767   3.292 -11.777
   71   HG11  VAL   9          1HG1      VAL   9  -3.268   4.488 -12.909
   72   HG12  VAL   9          2HG1      VAL   9  -4.572   3.374 -12.496
   73   HG13  VAL   9          3HG1      VAL   9  -4.138   4.675 -11.387
   74   HG21  VAL   9          1HG2      VAL   9  -3.597   2.690  -9.483
   75   HG22  VAL   9          2HG2      VAL   9  -1.846   2.902  -9.484
   76   HG23  VAL   9          3HG2      VAL   9  -2.903   4.298  -9.689
   77    H    THR  10           H        THR  10  -1.257   0.327 -13.056
   78    HA   THR  10           HA       THR  10  -1.549   1.393 -15.617
   79    HB   THR  10           HB       THR  10   0.345  -0.096 -14.648
   80    HG1  THR  10           HG1      THR  10   0.990  -0.508 -16.753
   81   HG21  THR  10          1HG2      THR  10   0.182  -2.364 -14.756
   82   HG22  THR  10          2HG2      THR  10  -0.931  -2.328 -16.123
   83   HG23  THR  10          3HG2      THR  10  -1.524  -2.002 -14.495
   84    H    LYS  11           H        LYS  11  -3.559  -0.766 -13.938
   85    HA   LYS  11           HA       LYS  11  -4.576  -2.453 -15.864
   86    HB2  LYS  11          2HB       LYS  11  -5.896  -3.013 -14.156
   87    HB3  LYS  11          3HB       LYS  11  -5.321  -1.607 -13.269
   88    HG2  LYS  11          2HG       LYS  11  -7.101  -0.254 -14.228
   89    HG3  LYS  11          3HG       LYS  11  -7.666  -1.643 -15.159
   90    HD2  LYS  11          2HD       LYS  11  -7.392  -2.117 -12.272
   91    HD3  LYS  11          3HD       LYS  11  -8.619  -0.928 -12.716
   92    HE2  LYS  11          2HE       LYS  11  -8.444  -3.619 -14.040
   93    HE3  LYS  11          3HE       LYS  11  -9.352  -3.367 -12.551
   94    HZ1  LYS  11          1HZ       LYS  11  -9.844  -1.623 -14.868
   95    HZ2  LYS  11          2HZ       LYS  11 -10.888  -2.045 -13.606
   96    HZ3  LYS  11          3HZ       LYS  11 -10.538  -3.166 -14.824
   97    H    ARG  12           H        ARG  12  -5.413   0.926 -15.240
   98    HA   ARG  12           HA       ARG  12  -7.390   0.958 -17.351
   99    HB2  ARG  12          2HB       ARG  12  -7.762   3.256 -16.739
  100    HB3  ARG  12          3HB       ARG  12  -7.646   2.299 -15.269
  101    HG2  ARG  12          2HG       ARG  12  -6.342   4.059 -14.676
  102    HG3  ARG  12          3HG       ARG  12  -5.113   3.030 -15.414
  103    HD2  ARG  12          2HD       ARG  12  -4.680   4.572 -16.954
  104    HD3  ARG  12          3HD       ARG  12  -6.378   4.630 -17.427
  105    HE   ARG  12           HE       ARG  12  -4.987   6.475 -15.705
  106   HH11  ARG  12          1HH1      ARG  12  -8.079   5.195 -16.666
  107   HH12  ARG  12          2HH1      ARG  12  -8.965   6.587 -16.138
  108   HH21  ARG  12          1HH2      ARG  12  -6.143   8.313 -15.007
  109   HH22  ARG  12          2HH2      ARG  12  -7.863   8.360 -15.195
  110    H    SER  13           H        SER  13  -4.029   1.470 -17.050
  111    HA   SER  13           HA       SER  13  -3.819   3.192 -19.373
  112    HB2  SER  13          2HB       SER  13  -2.192   3.672 -17.736
  113    HB3  SER  13          3HB       SER  13  -1.816   1.968 -17.485
  114    HG   SER  13           HG       SER  13  -0.197   2.907 -18.724
  115    H    LEU  14           H        LEU  14  -3.906  -0.150 -18.698
  116    HA   LEU  14           HA       LEU  14  -2.611  -0.837 -21.235
  117    HB2  LEU  14          2HB       LEU  14  -2.612  -3.120 -20.440
  118    HB3  LEU  14          3HB       LEU  14  -1.891  -2.051 -19.238
  119    HG   LEU  14           HG       LEU  14  -4.359  -2.117 -18.257
  120   HD11  LEU  14          1HD1      LEU  14  -4.781  -3.773 -20.317
  121   HD12  LEU  14          2HD1      LEU  14  -5.634  -3.908 -18.780
  122   HD13  LEU  14          3HD1      LEU  14  -4.245  -4.942 -19.110
  123   HD21  LEU  14          1HD2      LEU  14  -1.991  -3.863 -17.882
  124   HD22  LEU  14          2HD2      LEU  14  -3.488  -4.332 -17.074
  125   HD23  LEU  14          3HD2      LEU  14  -2.771  -2.751 -16.757
  126    H    SER  15           H        SER  15  -5.694  -0.826 -19.610
  127    HA   SER  15           HA       SER  15  -7.338  -2.518 -20.785
  128    HB2  SER  15          2HB       SER  15  -8.574   0.015 -21.278
  129    HB3  SER  15          3HB       SER  15  -8.881  -1.120 -19.964
  130    HG   SER  15           HG       SER  15  -7.943   1.215 -19.647
  131    HA   PRO  16           HA       PRO  16  -7.569  -0.196 -25.016
  132    HB2  PRO  16          2HB       PRO  16  -5.776   1.797 -25.442
  133    HB3  PRO  16          3HB       PRO  16  -7.362   2.072 -24.711
  134    HG2  PRO  16          2HG       PRO  16  -4.691   1.782 -23.390
  135    HG3  PRO  16          3HG       PRO  16  -5.991   2.938 -23.044
  136    HD2  PRO  16          2HD       PRO  16  -5.581   0.717 -21.550
  137    HD3  PRO  16          3HD       PRO  16  -7.196   1.406 -21.812
  138    H    HIS  17           H        HIS  17  -6.185  -2.436 -24.519
  139    HA   HIS  17           HA       HIS  17  -3.960  -2.261 -26.422
  140    HB2  HIS  17          2HB       HIS  17  -2.500  -3.567 -25.092
  141    HB3  HIS  17          3HB       HIS  17  -3.144  -2.337 -24.009
  142    HD1  HIS  17           HD1      HIS  17  -2.001  -5.131 -23.087
  143    HD2  HIS  17           HD2      HIS  17  -6.018  -4.178 -23.553
  144    HE1  HIS  17           HE1      HIS  17  -3.249  -6.744 -21.617
  145    H    ARG  18           H        ARG  18  -3.208  -4.896 -26.463
  146    HA   ARG  18           HA       ARG  18  -4.941  -6.084 -28.217
  147    HB2  ARG  18          2HB       ARG  18  -2.719  -7.029 -26.522
  148    HB3  ARG  18          3HB       ARG  18  -3.825  -8.282 -27.069
  149    HG2  ARG  18          2HG       ARG  18  -3.296  -7.966 -29.293
  150    HG3  ARG  18          3HG       ARG  18  -2.712  -6.322 -29.026
  151    HD2  ARG  18          2HD       ARG  18  -1.198  -8.283 -27.517
  152    HD3  ARG  18          3HD       ARG  18  -1.169  -8.613 -29.249
  153    HE   ARG  18           HE       ARG  18  -0.656  -5.892 -28.864
  154   HH11  ARG  18          1HH1      ARG  18   0.823  -8.982 -28.239
  155   HH12  ARG  18          2HH1      ARG  18   2.442  -8.371 -28.325
  156   HH21  ARG  18          1HH2      ARG  18   1.471  -5.076 -28.979
  157   HH22  ARG  18          2HH2      ARG  18   2.809  -6.149 -28.745
  158    HA   PRO  19           HA       PRO  19  -8.307  -6.958 -25.347
  159    HB2  PRO  19          2HB       PRO  19 -10.115  -7.511 -27.295
  160    HB3  PRO  19          3HB       PRO  19  -9.694  -5.863 -26.816
  161    HG2  PRO  19          2HG       PRO  19  -8.712  -7.468 -29.144
  162    HG3  PRO  19          3HG       PRO  19  -9.199  -5.764 -29.086
  163    HD2  PRO  19          2HD       PRO  19  -6.605  -6.540 -29.052
  164    HD3  PRO  19          3HD       PRO  19  -7.177  -5.086 -28.209
  165    H    ARG  20           H        ARG  20  -6.470  -8.926 -27.309
  166    HA   ARG  20           HA       ARG  20  -7.952 -11.288 -27.501
  167    HB2  ARG  20          2HB       ARG  20  -5.028 -11.481 -26.986
  168    HB3  ARG  20          3HB       ARG  20  -6.009 -12.280 -28.207
  169    HG2  ARG  20          2HG       ARG  20  -6.216  -9.946 -29.266
  170    HG3  ARG  20          3HG       ARG  20  -4.845  -9.526 -28.237
  171    HD2  ARG  20          2HD       ARG  20  -3.492 -10.395 -29.768
  172    HD3  ARG  20          3HD       ARG  20  -4.196 -11.977 -29.436
  173    HE   ARG  20           HE       ARG  20  -5.726 -10.389 -31.281
  174   HH11  ARG  20          1HH1      ARG  20  -3.096 -12.643 -30.935
  175   HH12  ARG  20          2HH1      ARG  20  -3.198 -13.214 -32.567
  176   HH21  ARG  20          1HH2      ARG  20  -5.871 -11.132 -33.432
  177   HH22  ARG  20          2HH2      ARG  20  -4.776 -12.353 -33.987
  178    H    HIS  21           H        HIS  21  -5.296 -10.730 -25.187
  179    HA   HIS  21           HA       HIS  21  -6.415 -12.731 -23.410
  180    HB2  HIS  21          2HB       HIS  21  -4.370 -12.430 -22.108
  181    HB3  HIS  21          3HB       HIS  21  -3.984 -12.660 -23.810
  182    HD1  HIS  21           HD1      HIS  21  -2.017 -11.284 -21.850
  183    HD2  HIS  21           HD2      HIS  21  -4.697  -9.275 -24.308
  184    HE1  HIS  21           HE1      HIS  21  -1.061  -8.976 -22.143
  185    H    SER  22           H        SER  22  -6.597  -9.373 -23.825
  186    HA   SER  22           HA       SER  22  -6.711  -8.298 -21.306
  187    HB2  SER  22          2HB       SER  22  -7.233  -7.324 -23.757
  188    HB3  SER  22          3HB       SER  22  -8.884  -7.465 -23.153
  189    HG   SER  22           HG       SER  22  -7.761  -5.424 -22.714
  190    H    ARG  23           H        ARG  23  -8.848 -10.591 -22.720
  191    HA   ARG  23           HA       ARG  23 -11.174 -10.124 -21.215
  192    HB2  ARG  23          2HB       ARG  23 -10.046 -12.549 -22.583
  193    HB3  ARG  23          3HB       ARG  23 -11.524 -12.658 -21.636
  194    HG2  ARG  23          2HG       ARG  23 -12.296 -10.657 -23.107
  195    HG3  ARG  23          3HG       ARG  23 -11.016 -11.206 -24.191
  196    HD2  ARG  23          2HD       ARG  23 -12.601 -13.428 -23.266
  197    HD3  ARG  23          3HD       ARG  23 -13.624 -12.194 -24.000
  198    HE   ARG  23           HE       ARG  23 -11.508 -12.545 -25.728
  199   HH11  ARG  23          1HH1      ARG  23 -14.040 -14.522 -24.386
  200   HH12  ARG  23          2HH1      ARG  23 -14.126 -15.573 -25.761
  201   HH21  ARG  23          1HH2      ARG  23 -11.611 -13.922 -27.543
  202   HH22  ARG  23          2HH2      ARG  23 -12.743 -15.232 -27.555
  203    H    LEU  24           H        LEU  24  -8.199 -11.803 -20.468
  204    HA   LEU  24           HA       LEU  24  -9.292 -12.715 -17.909
  205    HB2  LEU  24          2HB       LEU  24  -7.435 -14.157 -17.739
  206    HB3  LEU  24          3HB       LEU  24  -7.995 -14.261 -19.407
  207    HG   LEU  24           HG       LEU  24  -6.125 -12.506 -19.861
  208   HD11  LEU  24          1HD1      LEU  24  -4.180 -13.231 -18.223
  209   HD12  LEU  24          2HD1      LEU  24  -5.530 -13.442 -17.108
  210   HD13  LEU  24          3HD1      LEU  24  -5.245 -11.872 -17.860
  211   HD21  LEU  24          1HD2      LEU  24  -4.478 -14.647 -19.659
  212   HD22  LEU  24          2HD2      LEU  24  -5.638 -14.402 -20.965
  213   HD23  LEU  24          3HD2      LEU  24  -6.057 -15.431 -19.595
  214    H    GLN  25           H        GLN  25  -7.546 -10.154 -19.218
  215    HA   GLN  25           HA       GLN  25  -6.011  -9.608 -16.809
  216    HB2  GLN  25          2HB       GLN  25  -4.656  -8.645 -18.297
  217    HB3  GLN  25          3HB       GLN  25  -5.853  -8.843 -19.570
  218    HG2  GLN  25          2HG       GLN  25  -5.333  -6.541 -19.452
  219    HG3  GLN  25          3HG       GLN  25  -6.940  -6.744 -18.757
  220   HE21  GLN  25          1HE2      GLN  25  -7.051  -5.116 -17.345
  221   HE22  GLN  25          2HE2      GLN  25  -5.945  -4.853 -16.044
  222    H    ARG  26           H        ARG  26  -8.829  -8.390 -18.527
  223    HA   ARG  26           HA       ARG  26  -9.286  -6.006 -17.233
  224    HB2  ARG  26          2HB       ARG  26 -11.141  -6.069 -18.471
  225    HB3  ARG  26          3HB       ARG  26 -10.748  -7.726 -18.909
  226    HG2  ARG  26          2HG       ARG  26 -12.009  -8.535 -16.976
  227    HG3  ARG  26          3HG       ARG  26 -12.409  -6.870 -16.548
  228    HD2  ARG  26          2HD       ARG  26 -13.118  -7.133 -19.236
  229    HD3  ARG  26          3HD       ARG  26 -13.653  -8.627 -18.468
  230    HE   ARG  26           HE       ARG  26 -14.405  -6.351 -16.940
  231   HH11  ARG  26          1HH1      ARG  26 -15.232  -8.186 -19.781
  232   HH12  ARG  26          2HH1      ARG  26 -16.903  -7.729 -19.749
  233   HH21  ARG  26          1HH2      ARG  26 -16.603  -5.743 -16.887
  234   HH22  ARG  26          2HH2      ARG  26 -17.682  -6.339 -18.103
  Start of MODEL   13
    1    H1   TYR   1           H        TYR   1   4.095  -1.164  -2.705
    2    HA   TYR   1           HA       TYR   1   2.001  -0.322  -0.859
    3    HB2  TYR   1          2HB       TYR   1   4.918   0.441  -1.077
    4    HB3  TYR   1          3HB       TYR   1   3.815   1.087   0.133
    5    HD1  TYR   1           HD1      TYR   1   5.749  -1.824  -0.928
    6    HD2  TYR   1           HD2      TYR   1   2.994  -0.329   1.949
    7    HE1  TYR   1           HE1      TYR   1   6.247  -3.738   0.534
    8    HE2  TYR   1           HE2      TYR   1   3.485  -2.238   3.419
    9    HH   TYR   1           HH       TYR   1   4.870  -3.979   3.776
   10    H    TYR   2           H        TYR   2   4.421   1.558  -2.669
   11    HA   TYR   2           HA       TYR   2   2.369   3.592  -3.162
   12    HB2  TYR   2          2HB       TYR   2   4.766   4.645  -4.043
   13    HB3  TYR   2          3HB       TYR   2   4.038   4.924  -2.465
   14    HD1  TYR   2           HD1      TYR   2   6.419   2.722  -4.277
   15    HD2  TYR   2           HD2      TYR   2   5.114   4.203  -0.508
   16    HE1  TYR   2           HE1      TYR   2   8.373   1.688  -3.200
   17    HE2  TYR   2           HE2      TYR   2   7.065   3.174   0.579
   18    HH   TYR   2           HH       TYR   2   8.633   1.135  -0.004
   19    H    HIS   3           H        HIS   3   4.709   1.539  -4.809
   20    HA   HIS   3           HA       HIS   3   4.587   2.524  -7.379
   21    HB2  HIS   3          2HB       HIS   3   5.418   0.453  -8.109
   22    HB3  HIS   3          3HB       HIS   3   5.966   0.563  -6.439
   23    HD1  HIS   3           HD1      HIS   3   3.619  -0.456  -4.879
   24    HD2  HIS   3           HD2      HIS   3   4.821  -2.156  -8.475
   25    HE1  HIS   3           HE1      HIS   3   2.714  -2.802  -4.850
   26    H    PHE   4           H        PHE   4   2.131   0.918  -5.574
   27    HA   PHE   4           HA       PHE   4   0.552  -0.144  -7.619
   28    HB2  PHE   4          2HB       PHE   4   0.023   0.800  -4.835
   29    HB3  PHE   4          3HB       PHE   4  -1.352   0.462  -5.882
   30    HD1  PHE   4           HD1      PHE   4   0.400  -0.899  -3.354
   31    HD2  PHE   4           HD2      PHE   4  -0.754  -1.860  -7.336
   32    HE1  PHE   4           HE1      PHE   4   0.597  -3.294  -2.829
   33    HE2  PHE   4           HE2      PHE   4  -0.560  -4.257  -6.817
   34    HZ   PHE   4           HZ       PHE   4   0.116  -4.977  -4.561
   35    H    TRP   5           H        TRP   5   1.264   3.091  -6.879
   36    HA   TRP   5           HA       TRP   5  -1.123   4.347  -7.732
   37    HB2  TRP   5          2HB       TRP   5   0.100   6.377  -7.694
   38    HB3  TRP   5          3HB       TRP   5   0.786   5.388  -6.408
   39    HD1  TRP   5           HD1      TRP   5   2.861   3.657  -7.929
   40    HE1  TRP   5           HE1      TRP   5   4.925   4.723  -9.036
   41    HE3  TRP   5           HE3      TRP   5   1.145   8.450  -8.397
   42    HZ2  TRP   5           HZ2      TRP   5   5.721   7.260  -9.983
   43    HZ3  TRP   5           HZ3      TRP   5   2.621  10.136  -9.414
   44    HH2  TRP   5           HH2      TRP   5   4.861   9.552 -10.190
   45    H    HIS   6           H        HIS   6   1.745   3.226  -9.424
   46    HA   HIS   6           HA       HIS   6   0.539   4.091 -11.967
   47    HB2  HIS   6          2HB       HIS   6   3.184   4.359 -10.958
   48    HB3  HIS   6          3HB       HIS   6   3.245   3.241 -12.318
   49    HD1  HIS   6           HD1      HIS   6   2.109   6.758 -11.499
   50    HD2  HIS   6           HD2      HIS   6   3.120   4.420 -14.780
   51    HE1  HIS   6           HE1      HIS   6   2.164   8.335 -13.457
   52    H    ARG   7           H        ARG   7   2.076   1.405 -10.279
   53    HA   ARG   7           HA       ARG   7   1.913  -0.421 -12.459
   54    HB2  ARG   7          2HB       ARG   7   2.121  -1.045  -9.509
   55    HB3  ARG   7          3HB       ARG   7   2.516  -2.124 -10.841
   56    HG2  ARG   7          2HG       ARG   7   4.009   0.289 -11.130
   57    HG3  ARG   7          3HG       ARG   7   4.210  -0.329  -9.489
   58    HD2  ARG   7          2HD       ARG   7   4.508  -2.617 -10.799
   59    HD3  ARG   7          3HD       ARG   7   5.008  -1.523 -12.088
   60    HE   ARG   7           HE       ARG   7   6.502  -2.218  -9.776
   61   HH11  ARG   7          1HH1      ARG   7   5.831   0.418 -11.949
   62   HH12  ARG   7          2HH1      ARG   7   7.354   1.198 -11.681
   63   HH21  ARG   7          1HH2      ARG   7   8.511  -1.200  -9.415
   64   HH22  ARG   7          2HH2      ARG   7   8.878   0.277 -10.240
   65    H    GLY   8           H        GLY   8   0.168  -0.483  -9.342
   66    HA2  GLY   8          2HA       GLY   8  -1.774  -2.329 -10.117
   67    HA3  GLY   8          3HA       GLY   8  -1.961  -1.160  -8.818
   68    H    VAL   9           H        VAL   9  -1.477   0.997 -10.940
   69    HA   VAL   9           HA       VAL   9  -4.286   1.247 -11.673
   70    HB   VAL   9           HB       VAL   9  -2.045   3.244 -12.022
   71   HG11  VAL   9          1HG1      VAL   9  -4.480   4.565 -11.822
   72   HG12  VAL   9          2HG1      VAL   9  -3.526   4.324 -13.287
   73   HG13  VAL   9          3HG1      VAL   9  -4.810   3.187 -12.872
   74   HG21  VAL   9          1HG2      VAL   9  -3.953   2.726  -9.772
   75   HG22  VAL   9          2HG2      VAL   9  -2.213   3.008  -9.715
   76   HG23  VAL   9          3HG2      VAL   9  -3.312   4.344 -10.055
   77    H    THR  10           H        THR  10  -1.386   0.222 -13.071
   78    HA   THR  10           HA       THR  10  -1.483   1.102 -15.685
   79    HB   THR  10           HB       THR  10   0.257  -0.424 -14.553
   80    HG1  THR  10           HG1      THR  10   0.998  -0.403 -16.527
   81   HG21  THR  10          1HG2      THR  10  -1.758  -2.196 -14.351
   82   HG22  THR  10          2HG2      THR  10  -0.060  -2.667 -14.433
   83   HG23  THR  10          3HG2      THR  10  -1.059  -2.711 -15.885
   84    H    LYS  11           H        LYS  11  -3.671  -0.965 -14.050
   85    HA   LYS  11           HA       LYS  11  -4.678  -2.590 -16.039
   86    HB2  LYS  11          2HB       LYS  11  -6.059  -3.143 -14.377
   87    HB3  LYS  11          3HB       LYS  11  -5.473  -1.768 -13.450
   88    HG2  LYS  11          2HG       LYS  11  -7.186  -0.351 -14.439
   89    HG3  LYS  11          3HG       LYS  11  -7.762  -1.710 -15.407
   90    HD2  LYS  11          2HD       LYS  11  -7.584  -2.231 -12.520
   91    HD3  LYS  11          3HD       LYS  11  -8.766  -1.004 -12.982
   92    HE2  LYS  11          2HE       LYS  11  -9.807  -2.562 -14.529
   93    HE3  LYS  11          3HE       LYS  11  -8.593  -3.782 -14.146
   94    HZ1  LYS  11          1HZ       LYS  11 -10.010  -4.469 -12.597
   95    HZ2  LYS  11          2HZ       LYS  11 -10.978  -3.088 -12.730
   96    HZ3  LYS  11          3HZ       LYS  11  -9.620  -3.075 -11.721
   97    H    ARG  12           H        ARG  12  -5.414   0.803 -15.378
   98    HA   ARG  12           HA       ARG  12  -7.346   0.943 -17.524
   99    HB2  ARG  12          2HB       ARG  12  -7.673   3.217 -16.875
  100    HB3  ARG  12          3HB       ARG  12  -7.521   2.274 -15.399
  101    HG2  ARG  12          2HG       ARG  12  -6.185   4.038 -14.876
  102    HG3  ARG  12          3HG       ARG  12  -4.991   2.970 -15.618
  103    HD2  ARG  12          2HD       ARG  12  -4.620   4.397 -17.293
  104    HD3  ARG  12          3HD       ARG  12  -6.345   4.628 -17.575
  105    HE   ARG  12           HE       ARG  12  -5.756   6.053 -15.292
  106   HH11  ARG  12          1HH1      ARG  12  -4.728   6.057 -18.618
  107   HH12  ARG  12          2HH1      ARG  12  -4.381   7.754 -18.645
  108   HH21  ARG  12          1HH2      ARG  12  -5.302   8.288 -15.315
  109   HH22  ARG  12          2HH2      ARG  12  -4.707   9.022 -16.765
  110    H    SER  13           H        SER  13  -3.974   1.255 -17.191
  111    HA   SER  13           HA       SER  13  -3.666   2.982 -19.512
  112    HB2  SER  13          2HB       SER  13  -2.003   2.170 -17.277
  113    HB3  SER  13          3HB       SER  13  -1.148   1.988 -18.809
  114    HG   SER  13           HG       SER  13  -1.006   4.109 -17.783
  115    H    LEU  14           H        LEU  14  -3.849  -0.344 -18.789
  116    HA   LEU  14           HA       LEU  14  -2.500  -1.105 -21.276
  117    HB2  LEU  14          2HB       LEU  14  -2.583  -3.372 -20.450
  118    HB3  LEU  14          3HB       LEU  14  -1.879  -2.306 -19.236
  119    HG   LEU  14           HG       LEU  14  -4.366  -2.295 -18.326
  120   HD11  LEU  14          1HD1      LEU  14  -4.771  -3.950 -20.408
  121   HD12  LEU  14          2HD1      LEU  14  -5.708  -4.005 -18.915
  122   HD13  LEU  14          3HD1      LEU  14  -4.364  -5.122 -19.154
  123   HD21  LEU  14          1HD2      LEU  14  -2.833  -2.992 -16.793
  124   HD22  LEU  14          2HD2      LEU  14  -2.090  -4.152 -17.895
  125   HD23  LEU  14          3HD2      LEU  14  -3.626  -4.534 -17.117
  126    H    SER  15           H        SER  15  -5.630  -1.017 -19.735
  127    HA   SER  15           HA       SER  15  -7.271  -2.679 -20.962
  128    HB2  SER  15          2HB       SER  15  -8.385  -0.062 -21.460
  129    HB3  SER  15          3HB       SER  15  -8.855  -1.259 -20.253
  130    HG   SER  15           HG       SER  15  -7.253  -0.432 -18.886
  131    HA   PRO  16           HA       PRO  16  -7.340  -0.329 -25.184
  132    HB2  PRO  16          2HB       PRO  16  -5.486   1.619 -25.553
  133    HB3  PRO  16          3HB       PRO  16  -7.082   1.931 -24.862
  134    HG2  PRO  16          2HG       PRO  16  -4.456   1.567 -23.473
  135    HG3  PRO  16          3HG       PRO  16  -5.734   2.754 -23.155
  136    HD2  PRO  16          2HD       PRO  16  -5.420   0.516 -21.663
  137    HD3  PRO  16          3HD       PRO  16  -7.009   1.248 -21.963
  138    H    HIS  17           H        HIS  17  -6.022  -2.606 -24.655
  139    HA   HIS  17           HA       HIS  17  -3.749  -2.481 -26.505
  140    HB2  HIS  17          2HB       HIS  17  -2.352  -3.823 -25.142
  141    HB3  HIS  17          3HB       HIS  17  -2.993  -2.578 -24.074
  142    HD1  HIS  17           HD1      HIS  17  -1.938  -5.400 -23.130
  143    HD2  HIS  17           HD2      HIS  17  -5.919  -4.350 -23.687
  144    HE1  HIS  17           HE1      HIS  17  -3.259  -6.985 -21.691
  145    H    ARG  18           H        ARG  18  -3.059  -5.134 -26.530
  146    HA   ARG  18           HA       ARG  18  -4.773  -6.280 -28.328
  147    HB2  ARG  18          2HB       ARG  18  -2.613  -7.269 -26.586
  148    HB3  ARG  18          3HB       ARG  18  -3.742  -8.502 -27.134
  149    HG2  ARG  18          2HG       ARG  18  -3.196  -8.190 -29.368
  150    HG3  ARG  18          3HG       ARG  18  -2.509  -6.591 -29.076
  151    HD2  ARG  18          2HD       ARG  18  -1.139  -8.623 -27.546
  152    HD3  ARG  18          3HD       ARG  18  -1.133  -9.006 -29.267
  153    HE   ARG  18           HE       ARG  18  -0.429  -6.331 -29.020
  154   HH11  ARG  18          1HH1      ARG  18   0.823  -9.442 -28.085
  155   HH12  ARG  18          2HH1      ARG  18   2.479  -8.935 -28.134
  156   HH21  ARG  18          1HH2      ARG  18   1.747  -5.652 -29.089
  157   HH22  ARG  18          2HH2      ARG  18   3.004  -6.779 -28.704
  158    HA   PRO  19           HA       PRO  19  -8.237  -7.068 -25.550
  159    HB2  PRO  19          2HB       PRO  19 -10.005  -7.575 -27.547
  160    HB3  PRO  19          3HB       PRO  19  -9.555  -5.938 -27.055
  161    HG2  PRO  19          2HG       PRO  19  -8.552  -7.568 -29.357
  162    HG3  PRO  19          3HG       PRO  19  -8.997  -5.852 -29.311
  163    HD2  PRO  19          2HD       PRO  19  -6.425  -6.693 -29.208
  164    HD3  PRO  19          3HD       PRO  19  -6.984  -5.225 -28.380
  165    H    ARG  20           H        ARG  20  -6.397  -9.081 -27.460
  166    HA   ARG  20           HA       ARG  20  -7.929 -11.405 -27.700
  167    HB2  ARG  20          2HB       ARG  20  -5.029 -11.670 -27.088
  168    HB3  ARG  20          3HB       ARG  20  -5.989 -12.448 -28.339
  169    HG2  ARG  20          2HG       ARG  20  -6.104 -10.106 -29.403
  170    HG3  ARG  20          3HG       ARG  20  -4.751  -9.726 -28.335
  171    HD2  ARG  20          2HD       ARG  20  -3.315 -11.135 -29.427
  172    HD3  ARG  20          3HD       ARG  20  -4.606 -12.209 -29.963
  173    HE   ARG  20           HE       ARG  20  -3.588  -9.901 -31.339
  174   HH11  ARG  20          1HH1      ARG  20  -6.325 -12.014 -30.931
  175   HH12  ARG  20          2HH1      ARG  20  -6.988 -11.672 -32.495
  176   HH21  ARG  20          1HH2      ARG  20  -4.450  -9.443 -33.400
  177   HH22  ARG  20          2HH2      ARG  20  -5.920 -10.210 -33.899
  178    H    HIS  21           H        HIS  21  -5.335 -10.921 -25.301
  179    HA   HIS  21           HA       HIS  21  -6.565 -12.890 -23.563
  180    HB2  HIS  21          2HB       HIS  21  -4.557 -12.640 -22.192
  181    HB3  HIS  21          3HB       HIS  21  -4.124 -12.889 -23.880
  182    HD1  HIS  21           HD1      HIS  21  -2.174 -11.564 -21.875
  183    HD2  HIS  21           HD2      HIS  21  -4.732  -9.482 -24.402
  184    HE1  HIS  21           HE1      HIS  21  -1.146  -9.285 -22.144
  185    H    SER  22           H        SER  22  -6.635  -9.525 -23.977
  186    HA   SER  22           HA       SER  22  -6.805  -8.450 -21.462
  187    HB2  SER  22          2HB       SER  22  -7.226  -7.467 -23.934
  188    HB3  SER  22          3HB       SER  22  -8.894  -7.549 -23.369
  189    HG   SER  22           HG       SER  22  -8.087  -5.571 -22.771
  190    H    ARG  23           H        ARG  23  -8.960 -10.679 -22.952
  191    HA   ARG  23           HA       ARG  23 -11.323 -10.151 -21.536
  192    HB2  ARG  23          2HB       ARG  23 -10.213 -12.423 -23.068
  193    HB3  ARG  23          3HB       ARG  23 -11.465 -12.829 -21.902
  194    HG2  ARG  23          2HG       ARG  23 -12.631 -10.731 -23.100
  195    HG3  ARG  23          3HG       ARG  23 -11.641 -11.331 -24.432
  196    HD2  ARG  23          2HD       ARG  23 -12.748 -13.354 -24.518
  197    HD3  ARG  23          3HD       ARG  23 -13.282 -13.249 -22.841
  198    HE   ARG  23           HE       ARG  23 -15.139 -12.100 -23.537
  199   HH11  ARG  23          1HH1      ARG  23 -12.803 -12.185 -26.116
  200   HH12  ARG  23          2HH1      ARG  23 -13.886 -11.523 -27.295
  201   HH21  ARG  23          1HH2      ARG  23 -16.576 -11.229 -25.080
  202   HH22  ARG  23          2HH2      ARG  23 -16.032 -10.979 -26.704
  203    H    LEU  24           H        LEU  24  -8.420 -11.896 -20.662
  204    HA   LEU  24           HA       LEU  24  -9.633 -12.765 -18.143
  205    HB2  LEU  24          2HB       LEU  24  -7.814 -14.240 -17.888
  206    HB3  LEU  24          3HB       LEU  24  -8.300 -14.341 -19.579
  207    HG   LEU  24           HG       LEU  24  -6.381 -12.624 -19.958
  208   HD11  LEU  24          1HD1      LEU  24  -5.573 -11.992 -17.928
  209   HD12  LEU  24          2HD1      LEU  24  -4.526 -13.379 -18.225
  210   HD13  LEU  24          3HD1      LEU  24  -5.931 -13.545 -17.174
  211   HD21  LEU  24          1HD2      LEU  24  -4.777 -14.492 -20.189
  212   HD22  LEU  24          2HD2      LEU  24  -6.363 -14.857 -20.870
  213   HD23  LEU  24          3HD2      LEU  24  -5.897 -15.529 -19.306
  214    H    GLN  25           H        GLN  25  -7.791 -10.242 -19.393
  215    HA   GLN  25           HA       GLN  25  -6.343  -9.708 -16.929
  216    HB2  GLN  25          2HB       GLN  25  -4.917  -8.771 -18.366
  217    HB3  GLN  25          3HB       GLN  25  -6.066  -8.960 -19.684
  218    HG2  GLN  25          2HG       GLN  25  -5.517  -6.665 -19.558
  219    HG3  GLN  25          3HG       GLN  25  -7.154  -6.842 -18.928
  220   HE21  GLN  25          1HE2      GLN  25  -7.299  -5.202 -17.532
  221   HE22  GLN  25          2HE2      GLN  25  -6.244  -4.947 -16.188
  222    H    ARG  26           H        ARG  26  -9.076  -8.457 -18.756
  223    HA   ARG  26           HA       ARG  26  -9.542  -6.060 -17.485
  224    HB2  ARG  26          2HB       ARG  26 -11.335  -6.094 -18.811
  225    HB3  ARG  26          3HB       ARG  26 -10.968  -7.766 -19.214
  226    HG2  ARG  26          2HG       ARG  26 -12.331  -8.519 -17.329
  227    HG3  ARG  26          3HG       ARG  26 -12.703  -6.840 -16.934
  228    HD2  ARG  26          2HD       ARG  26 -14.473  -7.049 -18.272
  229    HD3  ARG  26          3HD       ARG  26 -13.333  -7.037 -19.617
  230    HE   ARG  26           HE       ARG  26 -13.427  -9.646 -18.784
  231   HH11  ARG  26          1HH1      ARG  26 -15.742  -7.301 -19.907
  232   HH12  ARG  26          2HH1      ARG  26 -16.793  -8.483 -20.613
  233   HH21  ARG  26          1HH2      ARG  26 -14.803 -11.213 -19.709
  234   HH22  ARG  26          2HH2      ARG  26 -16.259 -10.708 -20.499
  Start of MODEL   14
    1    H1   TYR   1           H        TYR   1   3.123   0.007   0.211
    2    HA   TYR   1           HA       TYR   1   3.884  -1.241  -2.341
    3    HB2  TYR   1          2HB       TYR   1   1.148  -1.186  -1.067
    4    HB3  TYR   1          3HB       TYR   1   1.402  -1.530  -2.774
    5    HD1  TYR   1           HD1      TYR   1   0.996  -2.976   0.379
    6    HD2  TYR   1           HD2      TYR   1   3.218  -3.433  -3.221
    7    HE1  TYR   1           HE1      TYR   1   1.376  -5.345   0.921
    8    HE2  TYR   1           HE2      TYR   1   3.603  -5.803  -2.690
    9    HH   TYR   1           HH       TYR   1   1.924  -7.542  -0.717
   10    H    TYR   2           H        TYR   2   4.771   0.793  -2.930
   11    HA   TYR   2           HA       TYR   2   2.865   2.998  -3.239
   12    HB2  TYR   2          2HB       TYR   2   5.316   3.934  -4.103
   13    HB3  TYR   2          3HB       TYR   2   4.639   4.156  -2.493
   14    HD1  TYR   2           HD1      TYR   2   5.698   3.231  -0.614
   15    HD2  TYR   2           HD2      TYR   2   6.820   1.918  -4.503
   16    HE1  TYR   2           HE1      TYR   2   7.589   1.992   0.356
   17    HE2  TYR   2           HE2      TYR   2   8.712   0.674  -3.543
   18    HH   TYR   2           HH       TYR   2   8.992  -0.172  -0.477
   19    H    HIS   3           H        HIS   3   5.019   0.900  -5.072
   20    HA   HIS   3           HA       HIS   3   4.922   2.063  -7.568
   21    HB2  HIS   3          2HB       HIS   3   5.576  -0.013  -8.456
   22    HB3  HIS   3          3HB       HIS   3   6.180  -0.043  -6.802
   23    HD1  HIS   3           HD1      HIS   3   4.905  -2.331  -8.987
   24    HD2  HIS   3           HD2      HIS   3   3.692  -1.204  -5.177
   25    HE1  HIS   3           HE1      HIS   3   3.561  -4.267  -8.109
   26    H    PHE   4           H        PHE   4   2.389   0.516  -5.817
   27    HA   PHE   4           HA       PHE   4   0.701  -0.288  -7.892
   28    HB2  PHE   4          2HB       PHE   4   0.533  -0.551  -5.268
   29    HB3  PHE   4          3HB       PHE   4  -0.460   0.896  -5.405
   30    HD1  PHE   4           HD1      PHE   4  -2.698   0.749  -6.033
   31    HD2  PHE   4           HD2      PHE   4  -0.119  -2.580  -6.649
   32    HE1  PHE   4           HE1      PHE   4  -4.639  -0.638  -6.638
   33    HE2  PHE   4           HE2      PHE   4  -2.055  -3.972  -7.256
   34    HZ   PHE   4           HZ       PHE   4  -4.318  -3.001  -7.252
   35    H    TRP   5           H        TRP   5   1.658   2.829  -6.952
   36    HA   TRP   5           HA       TRP   5  -0.648   4.306  -7.661
   37    HB2  TRP   5          2HB       TRP   5   0.719   6.238  -7.514
   38    HB3  TRP   5          3HB       TRP   5   1.357   5.116  -6.315
   39    HD1  TRP   5           HD1      TRP   5   3.271   3.352  -8.002
   40    HE1  TRP   5           HE1      TRP   5   5.385   4.344  -9.083
   41    HE3  TRP   5           HE3      TRP   5   1.899   8.276  -8.097
   42    HZ2  TRP   5           HZ2      TRP   5   6.345   6.879  -9.871
   43    HZ3  TRP   5           HZ3      TRP   5   3.473   9.921  -9.030
   44    HH2  TRP   5           HH2      TRP   5   5.650   9.235  -9.898
   45    H    HIS   6           H        HIS   6   2.098   3.103  -9.493
   46    HA   HIS   6           HA       HIS   6   0.911   4.227 -11.942
   47    HB2  HIS   6          2HB       HIS   6   3.708   3.795 -11.063
   48    HB3  HIS   6          3HB       HIS   6   3.366   3.465 -12.759
   49    HD1  HIS   6           HD1      HIS   6   5.063   5.585 -13.017
   50    HD2  HIS   6           HD2      HIS   6   1.253   6.380 -11.561
   51    HE1  HIS   6           HE1      HIS   6   4.729   8.059 -13.322
   52    H    ARG   7           H        ARG   7   2.284   1.327 -10.480
   53    HA   ARG   7           HA       ARG   7   1.941  -0.326 -12.774
   54    HB2  ARG   7          2HB       ARG   7   2.170  -1.166  -9.880
   55    HB3  ARG   7          3HB       ARG   7   2.453  -2.177 -11.291
   56    HG2  ARG   7          2HG       ARG   7   4.114   0.130 -11.471
   57    HG3  ARG   7          3HG       ARG   7   4.303  -0.594  -9.872
   58    HD2  ARG   7          2HD       ARG   7   4.670  -2.791 -10.979
   59    HD3  ARG   7          3HD       ARG   7   4.627  -1.966 -12.537
   60    HE   ARG   7           HE       ARG   7   6.810  -2.052 -10.701
   61   HH11  ARG   7          1HH1      ARG   7   5.260  -0.101 -13.133
   62   HH12  ARG   7          2HH1      ARG   7   6.704   0.760 -13.549
   63   HH21  ARG   7          1HH2      ARG   7   8.719  -0.926 -11.241
   64   HH22  ARG   7          2HH2      ARG   7   8.671   0.289 -12.473
   65    H    GLY   8           H        GLY   8   0.265  -0.479  -9.622
   66    HA2  GLY   8          2HA       GLY   8  -1.822  -2.127 -10.466
   67    HA3  GLY   8          3HA       GLY   8  -1.896  -1.039  -9.088
   68    H    VAL   9           H        VAL   9  -1.300   1.214 -11.084
   69    HA   VAL   9           HA       VAL   9  -4.100   1.714 -11.720
   70    HB   VAL   9           HB       VAL   9  -1.727   3.563 -11.998
   71   HG11  VAL   9          1HG1      VAL   9  -4.050   5.042 -11.654
   72   HG12  VAL   9          2HG1      VAL   9  -3.149   4.826 -13.156
   73   HG13  VAL   9          3HG1      VAL   9  -4.506   3.763 -12.779
   74   HG21  VAL   9          1HG2      VAL   9  -1.865   3.186  -9.708
   75   HG22  VAL   9          2HG2      VAL   9  -2.865   4.622  -9.934
   76   HG23  VAL   9          3HG2      VAL   9  -3.623   3.041  -9.738
   77    H    THR  10           H        THR  10  -1.315   0.580 -13.260
   78    HA   THR  10           HA       THR  10  -1.531   1.653 -15.832
   79    HB   THR  10           HB       THR  10   0.313   0.127 -14.819
   80    HG1  THR  10           HG1      THR  10   0.959  -0.370 -16.935
   81   HG21  THR  10          1HG2      THR  10   0.095  -2.133 -14.907
   82   HG22  THR  10          2HG2      THR  10  -0.956  -2.084 -16.322
   83   HG23  THR  10          3HG2      THR  10  -1.613  -1.738 -14.723
   84    H    LYS  11           H        LYS  11  -3.635  -0.420 -14.177
   85    HA   LYS  11           HA       LYS  11  -4.648  -2.118 -16.096
   86    HB2  LYS  11          2HB       LYS  11  -6.026  -2.605 -14.411
   87    HB3  LYS  11          3HB       LYS  11  -5.437  -1.196 -13.540
   88    HG2  LYS  11          2HG       LYS  11  -7.153   0.182 -14.574
   89    HG3  LYS  11          3HG       LYS  11  -7.731  -1.210 -15.492
   90    HD2  LYS  11          2HD       LYS  11  -7.549  -1.634 -12.591
   91    HD3  LYS  11          3HD       LYS  11  -8.727  -0.418 -13.089
   92    HE2  LYS  11          2HE       LYS  11  -9.644  -2.097 -14.703
   93    HE3  LYS  11          3HE       LYS  11  -8.574  -3.294 -13.977
   94    HZ1  LYS  11          1HZ       LYS  11 -10.669  -3.517 -12.942
   95    HZ2  LYS  11          2HZ       LYS  11 -10.815  -1.852 -12.681
   96    HZ3  LYS  11          3HZ       LYS  11  -9.673  -2.747 -11.812
   97    H    ARG  12           H        ARG  12  -5.408   1.294 -15.561
   98    HA   ARG  12           HA       ARG  12  -7.328   1.338 -17.723
   99    HB2  ARG  12          2HB       ARG  12  -7.273   3.852 -17.222
  100    HB3  ARG  12          3HB       ARG  12  -7.893   2.788 -15.967
  101    HG2  ARG  12          2HG       ARG  12  -6.270   3.336 -14.535
  102    HG3  ARG  12          3HG       ARG  12  -5.021   3.279 -15.781
  103    HD2  ARG  12          2HD       ARG  12  -5.350   5.533 -14.784
  104    HD3  ARG  12          3HD       ARG  12  -5.581   5.483 -16.531
  105    HE   ARG  12           HE       ARG  12  -8.031   5.147 -15.102
  106   HH11  ARG  12          1HH1      ARG  12  -5.735   7.506 -16.234
  107   HH12  ARG  12          2HH1      ARG  12  -6.892   8.794 -16.297
  108   HH21  ARG  12          1HH2      ARG  12  -9.564   6.834 -15.180
  109   HH22  ARG  12          2HH2      ARG  12  -9.069   8.411 -15.696
  110    H    SER  13           H        SER  13  -3.960   1.760 -17.347
  111    HA   SER  13           HA       SER  13  -3.644   3.421 -19.703
  112    HB2  SER  13          2HB       SER  13  -2.008   2.665 -17.448
  113    HB3  SER  13          3HB       SER  13  -1.139   2.376 -18.955
  114    HG   SER  13           HG       SER  13  -2.309   4.801 -18.067
  115    H    LEU  14           H        LEU  14  -3.839   0.099 -18.951
  116    HA   LEU  14           HA       LEU  14  -2.502  -0.683 -21.439
  117    HB2  LEU  14          2HB       LEU  14  -2.589  -2.947 -20.590
  118    HB3  LEU  14          3HB       LEU  14  -1.858  -1.869 -19.403
  119    HG   LEU  14           HG       LEU  14  -4.345  -1.836 -18.467
  120   HD11  LEU  14          1HD1      LEU  14  -4.304  -4.684 -19.242
  121   HD12  LEU  14          2HD1      LEU  14  -4.776  -3.534 -20.493
  122   HD13  LEU  14          3HD1      LEU  14  -5.666  -3.596 -18.972
  123   HD21  LEU  14          1HD2      LEU  14  -3.555  -4.055 -17.223
  124   HD22  LEU  14          2HD2      LEU  14  -2.821  -2.481 -16.913
  125   HD23  LEU  14          3HD2      LEU  14  -2.031  -3.625 -17.999
  126    H    SER  15           H        SER  15  -5.621  -0.550 -19.891
  127    HA   SER  15           HA       SER  15  -7.284  -2.225 -21.062
  128    HB2  SER  15          2HB       SER  15  -8.432   0.328 -21.656
  129    HB3  SER  15          3HB       SER  15  -8.808  -0.762 -20.321
  130    HG   SER  15           HG       SER  15  -7.677   1.578 -20.151
  131    HA   PRO  16           HA       PRO  16  -7.346  -0.020 -25.360
  132    HB2  PRO  16          2HB       PRO  16  -5.491   1.913 -25.796
  133    HB3  PRO  16          3HB       PRO  16  -7.086   2.250 -25.113
  134    HG2  PRO  16          2HG       PRO  16  -4.458   1.929 -23.717
  135    HG3  PRO  16          3HG       PRO  16  -5.735   3.127 -23.436
  136    HD2  PRO  16          2HD       PRO  16  -5.421   0.939 -21.872
  137    HD3  PRO  16          3HD       PRO  16  -7.010   1.663 -22.194
  138    H    HIS  17           H        HIS  17  -6.034  -2.280 -24.766
  139    HA   HIS  17           HA       HIS  17  -3.761  -2.217 -26.617
  140    HB2  HIS  17          2HB       HIS  17  -2.367  -3.519 -25.214
  141    HB3  HIS  17          3HB       HIS  17  -3.006  -2.243 -24.182
  142    HD1  HIS  17           HD1      HIS  17  -1.956  -5.040 -23.158
  143    HD2  HIS  17           HD2      HIS  17  -5.935  -3.996 -23.743
  144    HE1  HIS  17           HE1      HIS  17  -3.280  -6.579 -21.674
  145    H    ARG  18           H        ARG  18  -3.076  -4.870 -26.565
  146    HA   ARG  18           HA       ARG  18  -4.797  -6.065 -28.325
  147    HB2  ARG  18          2HB       ARG  18  -2.634  -7.008 -26.559
  148    HB3  ARG  18          3HB       ARG  18  -3.763  -8.254 -27.075
  149    HG2  ARG  18          2HG       ARG  18  -2.951  -8.287 -29.150
  150    HG3  ARG  18          3HG       ARG  18  -2.891  -6.526 -29.251
  151    HD2  ARG  18          2HD       ARG  18  -0.663  -7.582 -29.427
  152    HD3  ARG  18          3HD       ARG  18  -0.800  -6.482 -28.055
  153    HE   ARG  18           HE       ARG  18  -1.368  -9.204 -27.367
  154   HH11  ARG  18          1HH1      ARG  18   1.169  -6.871 -27.858
  155   HH12  ARG  18          2HH1      ARG  18   2.296  -7.686 -26.825
  156   HH21  ARG  18          1HH2      ARG  18   0.107 -10.286 -26.005
  157   HH22  ARG  18          2HH2      ARG  18   1.692  -9.629 -25.772
  158    HA   PRO  19           HA       PRO  19  -8.251  -6.770 -25.513
  159    HB2  PRO  19          2HB       PRO  19 -10.028  -7.331 -27.488
  160    HB3  PRO  19          3HB       PRO  19  -9.574  -5.681 -27.045
  161    HG2  PRO  19          2HG       PRO  19  -8.581  -7.377 -29.303
  162    HG3  PRO  19          3HG       PRO  19  -9.024  -5.660 -29.304
  163    HD2  PRO  19          2HD       PRO  19  -6.453  -6.501 -29.186
  164    HD3  PRO  19          3HD       PRO  19  -7.007  -5.009 -28.399
  165    H    ARG  20           H        ARG  20  -6.419  -8.838 -27.370
  166    HA   ARG  20           HA       ARG  20  -7.956 -11.167 -27.538
  167    HB2  ARG  20          2HB       ARG  20  -5.053 -11.418 -26.933
  168    HB3  ARG  20          3HB       ARG  20  -6.020 -12.229 -28.158
  169    HG2  ARG  20          2HG       ARG  20  -6.138  -9.919 -29.287
  170    HG3  ARG  20          3HG       ARG  20  -4.781  -9.508 -28.236
  171    HD2  ARG  20          2HD       ARG  20  -3.919 -10.257 -30.346
  172    HD3  ARG  20          3HD       ARG  20  -3.565 -11.480 -29.127
  173    HE   ARG  20           HE       ARG  20  -4.917 -12.948 -30.253
  174   HH11  ARG  20          1HH1      ARG  20  -5.502  -9.720 -31.419
  175   HH12  ARG  20          2HH1      ARG  20  -6.505 -10.237 -32.734
  176   HH21  ARG  20          1HH2      ARG  20  -6.235 -13.640 -31.981
  177   HH22  ARG  20          2HH2      ARG  20  -6.922 -12.467 -33.052
  178    H    HIS  21           H        HIS  21  -5.349 -10.615 -25.166
  179    HA   HIS  21           HA       HIS  21  -6.572 -12.533 -23.367
  180    HB2  HIS  21          2HB       HIS  21  -4.556 -12.249 -22.015
  181    HB3  HIS  21          3HB       HIS  21  -4.131 -12.540 -23.699
  182    HD1  HIS  21           HD1      HIS  21  -2.178 -11.161 -21.729
  183    HD2  HIS  21           HD2      HIS  21  -4.737  -9.152 -24.312
  184    HE1  HIS  21           HE1      HIS  21  -1.150  -8.890 -22.061
  185    H    SER  22           H        SER  22  -6.645  -9.183 -23.877
  186    HA   SER  22           HA       SER  22  -6.798  -8.033 -21.396
  187    HB2  SER  22          2HB       SER  22  -7.234  -7.121 -23.888
  188    HB3  SER  22          3HB       SER  22  -8.902  -7.197 -23.320
  189    HG   SER  22           HG       SER  22  -7.813  -5.173 -22.898
  190    H    ARG  23           H        ARG  23  -8.964 -10.306 -22.803
  191    HA   ARG  23           HA       ARG  23 -11.315  -9.739 -21.381
  192    HB2  ARG  23          2HB       ARG  23 -11.809 -12.204 -21.766
  193    HB3  ARG  23          3HB       ARG  23 -11.493 -11.237 -23.200
  194    HG2  ARG  23          2HG       ARG  23  -9.864 -12.606 -23.794
  195    HG3  ARG  23          3HG       ARG  23  -9.028 -12.312 -22.268
  196    HD2  ARG  23          2HD       ARG  23 -10.701 -14.008 -21.282
  197    HD3  ARG  23          3HD       ARG  23 -10.995 -14.466 -22.959
  198    HE   ARG  23           HE       ARG  23  -8.214 -14.445 -22.330
  199   HH11  ARG  23          1HH1      ARG  23 -11.140 -16.308 -22.031
  200   HH12  ARG  23          2HH1      ARG  23 -10.316 -17.829 -21.931
  201   HH21  ARG  23          1HH2      ARG  23  -7.118 -16.441 -22.199
  202   HH22  ARG  23          2HH2      ARG  23  -8.028 -17.904 -22.025
  203    H    LEU  24           H        LEU  24  -8.415 -11.495 -20.497
  204    HA   LEU  24           HA       LEU  24  -9.602 -12.273 -17.937
  205    HB2  LEU  24          2HB       LEU  24  -7.786 -13.753 -17.661
  206    HB3  LEU  24          3HB       LEU  24  -8.309 -13.907 -19.337
  207    HG   LEU  24           HG       LEU  24  -6.383 -12.224 -19.817
  208   HD11  LEU  24          1HD1      LEU  24  -4.498 -12.929 -18.097
  209   HD12  LEU  24          2HD1      LEU  24  -5.882 -13.048 -17.011
  210   HD13  LEU  24          3HD1      LEU  24  -5.531 -11.525 -17.826
  211   HD21  LEU  24          1HD2      LEU  24  -4.756 -14.245 -19.725
  212   HD22  LEU  24          2HD2      LEU  24  -6.169 -14.314 -20.779
  213   HD23  LEU  24          3HD2      LEU  24  -6.186 -15.148 -19.224
  214    H    GLN  25           H        GLN  25  -7.754  -9.804 -19.281
  215    HA   GLN  25           HA       GLN  25  -6.266  -9.216 -16.853
  216    HB2  GLN  25          2HB       GLN  25  -4.854  -8.333 -18.338
  217    HB3  GLN  25          3HB       GLN  25  -6.026  -8.543 -19.633
  218    HG2  GLN  25          2HG       GLN  25  -5.451  -6.251 -19.572
  219    HG3  GLN  25          3HG       GLN  25  -7.079  -6.394 -18.912
  220   HE21  GLN  25          1HE2      GLN  25  -7.190  -4.727 -17.548
  221   HE22  GLN  25          2HE2      GLN  25  -6.108  -4.448 -16.231
  222    H    ARG  26           H        ARG  26  -9.016  -7.992 -18.673
  223    HA   ARG  26           HA       ARG  26  -9.442  -5.557 -17.462
  224    HB2  ARG  26          2HB       ARG  26 -11.256  -5.612 -18.759
  225    HB3  ARG  26          3HB       ARG  26 -10.909  -7.297 -19.121
  226    HG2  ARG  26          2HG       ARG  26 -12.247  -7.987 -17.194
  227    HG3  ARG  26          3HG       ARG  26 -12.603  -6.294 -16.843
  228    HD2  ARG  26          2HD       ARG  26 -13.514  -6.190 -19.235
  229    HD3  ARG  26          3HD       ARG  26 -13.482  -7.952 -19.185
  230    HE   ARG  26           HE       ARG  26 -14.826  -7.059 -16.913
  231   HH11  ARG  26          1HH1      ARG  26 -15.225  -7.059 -20.371
  232   HH12  ARG  26          2HH1      ARG  26 -16.956  -7.064 -20.302
  233   HH21  ARG  26          1HH2      ARG  26 -17.105  -7.064 -16.809
  234   HH22  ARG  26          2HH2      ARG  26 -18.024  -7.066 -18.275
  Start of MODEL   15
    1    H1   TYR   1           H        TYR   1   4.125  -1.077  -1.900
    2    HA   TYR   1           HA       TYR   1   1.245  -0.907  -1.553
    3    HB2  TYR   1          2HB       TYR   1   3.616   0.096  -0.009
    4    HB3  TYR   1          3HB       TYR   1   2.012   0.747   0.306
    5    HD1  TYR   1           HD1      TYR   1   4.074  -2.314   0.391
    6    HD2  TYR   1           HD2      TYR   1   0.384  -0.514   1.508
    7    HE1  TYR   1           HE1      TYR   1   3.598  -4.221   1.869
    8    HE2  TYR   1           HE2      TYR   1  -0.101  -2.415   2.991
    9    HH   TYR   1           HH       TYR   1   0.598  -4.876   3.116
   10    H    TYR   2           H        TYR   2   3.930   1.092  -2.631
   11    HA   TYR   2           HA       TYR   2   2.090   3.307  -3.179
   12    HB2  TYR   2          2HB       TYR   2   4.609   4.170  -3.906
   13    HB3  TYR   2          3HB       TYR   2   3.827   4.472  -2.358
   14    HD1  TYR   2           HD1      TYR   2   6.086   2.095  -4.111
   15    HD2  TYR   2           HD2      TYR   2   4.755   3.637  -0.375
   16    HE1  TYR   2           HE1      TYR   2   7.889   0.871  -2.970
   17    HE2  TYR   2           HE2      TYR   2   6.554   2.417   0.776
   18    HH   TYR   2           HH       TYR   2   8.103  -0.043  -0.324
   19    H    HIS   3           H        HIS   3   4.330   1.092  -4.752
   20    HA   HIS   3           HA       HIS   3   4.414   2.147  -7.303
   21    HB2  HIS   3          2HB       HIS   3   5.367  -0.121  -6.137
   22    HB3  HIS   3          3HB       HIS   3   4.126  -0.787  -7.193
   23    HD1  HIS   3           HD1      HIS   3   6.887  -1.576  -7.899
   24    HD2  HIS   3           HD2      HIS   3   5.200   1.956  -9.291
   25    HE1  HIS   3           HE1      HIS   3   8.195  -0.973  -9.960
   26    H    PHE   4           H        PHE   4   1.750   0.785  -5.641
   27    HA   PHE   4           HA       PHE   4   0.209  -0.183  -7.773
   28    HB2  PHE   4          2HB       PHE   4  -0.140   0.268  -4.986
   29    HB3  PHE   4          3HB       PHE   4  -1.506   1.002  -5.820
   30    HD1  PHE   4           HD1      PHE   4  -3.300  -0.307  -6.458
   31    HD2  PHE   4           HD2      PHE   4   0.444  -2.161  -5.647
   32    HE1  PHE   4           HE1      PHE   4  -4.351  -2.520  -6.686
   33    HE2  PHE   4           HE2      PHE   4  -0.601  -4.377  -5.875
   34    HZ   PHE   4           HZ       PHE   4  -3.001  -4.559  -6.396
   35    H    TRP   5           H        TRP   5   1.135   2.984  -6.992
   36    HA   TRP   5           HA       TRP   5  -1.105   4.422  -7.953
   37    HB2  TRP   5          2HB       TRP   5   0.281   6.353  -7.865
   38    HB3  TRP   5          3HB       TRP   5   0.790   5.325  -6.529
   39    HD1  TRP   5           HD1      TRP   5   2.795   3.397  -7.925
   40    HE1  TRP   5           HE1      TRP   5   5.018   4.272  -8.884
   41    HE3  TRP   5           HE3      TRP   5   1.561   8.329  -8.464
   42    HZ2  TRP   5           HZ2      TRP   5   6.105   6.728  -9.753
   43    HZ3  TRP   5           HZ3      TRP   5   3.250   9.876  -9.366
   44    HH2  TRP   5           HH2      TRP   5   5.474   9.090  -9.995
   45    H    HIS   6           H        HIS   6   1.752   3.089  -9.505
   46    HA   HIS   6           HA       HIS   6   0.745   4.048 -12.101
   47    HB2  HIS   6          2HB       HIS   6   3.422   3.855 -10.959
   48    HB3  HIS   6          3HB       HIS   6   3.310   3.090 -12.541
   49    HD1  HIS   6           HD1      HIS   6   4.817   4.984 -13.521
   50    HD2  HIS   6           HD2      HIS   6   1.171   6.277 -12.005
   51    HE1  HIS   6           HE1      HIS   6   4.520   7.325 -14.390
   52    H    ARG   7           H        ARG   7   1.960   1.244 -10.345
   53    HA   ARG   7           HA       ARG   7   1.768  -0.560 -12.543
   54    HB2  ARG   7          2HB       ARG   7   1.770  -1.202  -9.589
   55    HB3  ARG   7          3HB       ARG   7   2.145  -2.308 -10.903
   56    HG2  ARG   7          2HG       ARG   7   3.745   0.184 -10.452
   57    HG3  ARG   7          3HG       ARG   7   4.087  -1.311  -9.580
   58    HD2  ARG   7          2HD       ARG   7   3.775  -1.576 -12.497
   59    HD3  ARG   7          3HD       ARG   7   5.183  -0.658 -11.962
   60    HE   ARG   7           HE       ARG   7   5.086  -3.004 -10.465
   61   HH11  ARG   7          1HH1      ARG   7   5.529  -2.029 -13.777
   62   HH12  ARG   7          2HH1      ARG   7   6.524  -3.388 -14.181
   63   HH21  ARG   7          1HH2      ARG   7   6.395  -4.799 -10.984
   64   HH22  ARG   7          2HH2      ARG   7   7.016  -4.963 -12.592
   65    H    GLY   8           H        GLY   8  -0.136  -0.488  -9.519
   66    HA2  GLY   8          2HA       GLY   8  -2.179  -2.166 -10.407
   67    HA3  GLY   8          3HA       GLY   8  -2.336  -0.992  -9.109
   68    H    VAL   9           H        VAL   9  -1.570   1.128 -11.186
   69    HA   VAL   9           HA       VAL   9  -4.308   1.608 -12.060
   70    HB   VAL   9           HB       VAL   9  -1.901   3.421 -12.271
   71   HG11  VAL   9          1HG1      VAL   9  -3.221   4.627 -13.597
   72   HG12  VAL   9          2HG1      VAL   9  -4.612   3.592 -13.266
   73   HG13  VAL   9          3HG1      VAL   9  -4.230   4.931 -12.183
   74   HG21  VAL   9          1HG2      VAL   9  -3.959   3.044 -10.128
   75   HG22  VAL   9          2HG2      VAL   9  -2.207   3.183  -9.978
   76   HG23  VAL   9          3HG2      VAL   9  -3.175   4.607 -10.361
   77    H    THR  10           H        THR  10  -1.429   0.363 -13.315
   78    HA   THR  10           HA       THR  10  -1.364   1.273 -15.935
   79    HB   THR  10           HB       THR  10   0.266  -0.321 -14.715
   80    HG1  THR  10           HG1      THR  10   0.826  -1.243 -16.843
   81   HG21  THR  10          1HG2      THR  10  -1.831  -2.023 -14.670
   82   HG22  THR  10          2HG2      THR  10  -0.146  -2.544 -14.623
   83   HG23  THR  10          3HG2      THR  10  -1.029  -2.551 -16.149
   84    H    LYS  11           H        LYS  11  -3.703  -0.683 -14.390
   85    HA   LYS  11           HA       LYS  11  -4.673  -2.273 -16.446
   86    HB2  LYS  11          2HB       LYS  11  -6.093  -2.837 -14.822
   87    HB3  LYS  11          3HB       LYS  11  -5.527  -1.478 -13.859
   88    HG2  LYS  11          2HG       LYS  11  -7.198  -0.036 -14.875
   89    HG3  LYS  11          3HG       LYS  11  -7.748  -1.371 -15.891
   90    HD2  LYS  11          2HD       LYS  11  -7.677  -1.952 -13.010
   91    HD3  LYS  11          3HD       LYS  11  -8.835  -0.709 -13.490
   92    HE2  LYS  11          2HE       LYS  11  -9.956  -2.184 -14.955
   93    HE3  LYS  11          3HE       LYS  11  -8.653  -3.369 -14.881
   94    HZ1  LYS  11          1HZ       LYS  11  -9.715  -4.346 -13.223
   95    HZ2  LYS  11          2HZ       LYS  11 -10.927  -3.166 -13.245
   96    HZ3  LYS  11          3HZ       LYS  11  -9.554  -2.950 -12.280
   97    H    ARG  12           H        ARG  12  -5.375   1.114 -15.704
   98    HA   ARG  12           HA       ARG  12  -7.236   1.355 -17.898
   99    HB2  ARG  12          2HB       ARG  12  -7.771   3.411 -17.046
  100    HB3  ARG  12          3HB       ARG  12  -7.116   2.663 -15.595
  101    HG2  ARG  12          2HG       ARG  12  -4.868   3.721 -16.598
  102    HG3  ARG  12          3HG       ARG  12  -6.050   4.862 -17.244
  103    HD2  ARG  12          2HD       ARG  12  -6.200   4.078 -14.370
  104    HD3  ARG  12          3HD       ARG  12  -4.970   5.233 -14.881
  105    HE   ARG  12           HE       ARG  12  -7.624   5.872 -15.791
  106   HH11  ARG  12          1HH1      ARG  12  -5.317   6.196 -13.204
  107   HH12  ARG  12          2HH1      ARG  12  -6.039   7.636 -12.566
  108   HH21  ARG  12          1HH2      ARG  12  -8.583   7.767 -14.960
  109   HH22  ARG  12          2HH2      ARG  12  -7.897   8.528 -13.565
  110    H    SER  13           H        SER  13  -3.858   1.708 -17.409
  111    HA   SER  13           HA       SER  13  -3.456   3.448 -19.690
  112    HB2  SER  13          2HB       SER  13  -1.846   2.463 -17.464
  113    HB3  SER  13          3HB       SER  13  -0.973   2.422 -18.997
  114    HG   SER  13           HG       SER  13  -0.705   4.437 -18.044
  115    H    LEU  14           H        LEU  14  -3.721   0.100 -19.084
  116    HA   LEU  14           HA       LEU  14  -2.346  -0.595 -21.578
  117    HB2  LEU  14          2HB       LEU  14  -2.501  -2.900 -20.823
  118    HB3  LEU  14          3HB       LEU  14  -1.735  -1.881 -19.606
  119    HG   LEU  14           HG       LEU  14  -4.209  -1.813 -18.648
  120   HD11  LEU  14          1HD1      LEU  14  -4.302  -4.632 -19.468
  121   HD12  LEU  14          2HD1      LEU  14  -4.655  -3.466 -20.743
  122   HD13  LEU  14          3HD1      LEU  14  -5.606  -3.462 -19.257
  123   HD21  LEU  14          1HD2      LEU  14  -1.908  -3.603 -18.246
  124   HD22  LEU  14          2HD2      LEU  14  -3.434  -4.162 -17.560
  125   HD23  LEU  14          3HD2      LEU  14  -2.779  -2.591 -17.093
  126    H    SER  15           H        SER  15  -5.490  -0.533 -20.061
  127    HA   SER  15           HA       SER  15  -7.147  -2.126 -21.336
  128    HB2  SER  15          2HB       SER  15  -8.288   0.439 -21.839
  129    HB3  SER  15          3HB       SER  15  -8.654  -0.681 -20.528
  130    HG   SER  15           HG       SER  15  -7.891   1.459 -19.887
  131    HA   PRO  16           HA       PRO  16  -7.122   0.267 -25.534
  132    HB2  PRO  16          2HB       PRO  16  -5.242   2.199 -25.855
  133    HB3  PRO  16          3HB       PRO  16  -6.845   2.521 -25.183
  134    HG2  PRO  16          2HG       PRO  16  -4.242   2.113 -23.762
  135    HG3  PRO  16          3HG       PRO  16  -5.512   3.310 -23.449
  136    HD2  PRO  16          2HD       PRO  16  -5.243   1.053 -21.977
  137    HD3  PRO  16          3HD       PRO  16  -6.820   1.806 -22.291
  138    H    HIS  17           H        HIS  17  -5.876  -2.034 -25.078
  139    HA   HIS  17           HA       HIS  17  -3.605  -1.932 -26.914
  140    HB2  HIS  17          2HB       HIS  17  -2.160  -3.217 -25.546
  141    HB3  HIS  17          3HB       HIS  17  -2.789  -1.948 -24.500
  142    HD1  HIS  17           HD1      HIS  17  -1.674  -4.685 -23.451
  143    HD2  HIS  17           HD2      HIS  17  -5.688  -3.783 -24.036
  144    HE1  HIS  17           HE1      HIS  17  -2.942  -6.251 -21.946
  145    H    ARG  18           H        ARG  18  -2.881  -4.563 -26.910
  146    HA   ARG  18           HA       ARG  18  -4.657  -5.779 -28.606
  147    HB2  ARG  18          2HB       ARG  18  -2.463  -6.782 -26.860
  148    HB3  ARG  18          3HB       ARG  18  -3.533  -7.971 -27.592
  149    HG2  ARG  18          2HG       ARG  18  -2.279  -7.872 -29.412
  150    HG3  ARG  18          3HG       ARG  18  -2.856  -6.223 -29.658
  151    HD2  ARG  18          2HD       ARG  18  -0.945  -5.749 -27.846
  152    HD3  ARG  18          3HD       ARG  18  -0.275  -7.200 -28.590
  153    HE   ARG  18           HE       ARG  18  -0.458  -4.587 -29.755
  154   HH11  ARG  18          1HH1      ARG  18  -0.312  -8.000 -30.428
  155   HH12  ARG  18          2HH1      ARG  18   0.342  -7.791 -32.019
  156   HH21  ARG  18          1HH2      ARG  18   0.403  -4.299 -31.848
  157   HH22  ARG  18          2HH2      ARG  18   0.750  -5.685 -32.825
  158    HA   PRO  19           HA       PRO  19  -7.953  -6.607 -25.647
  159    HB2  PRO  19          2HB       PRO  19  -9.798  -7.223 -27.540
  160    HB3  PRO  19          3HB       PRO  19  -9.377  -5.560 -27.114
  161    HG2  PRO  19          2HG       PRO  19  -8.434  -7.222 -29.419
  162    HG3  PRO  19          3HG       PRO  19  -8.931  -5.520 -29.396
  163    HD2  PRO  19          2HD       PRO  19  -6.332  -6.279 -29.397
  164    HD3  PRO  19          3HD       PRO  19  -6.896  -4.806 -28.581
  165    H    ARG  20           H        ARG  20  -6.134  -8.615 -27.575
  166    HA   ARG  20           HA       ARG  20  -7.620 -10.993 -27.653
  167    HB2  ARG  20          2HB       ARG  20  -5.776 -11.157 -28.997
  168    HB3  ARG  20          3HB       ARG  20  -4.748 -10.271 -27.879
  169    HG2  ARG  20          2HG       ARG  20  -4.066 -12.607 -28.108
  170    HG3  ARG  20          3HG       ARG  20  -4.561 -12.223 -26.458
  171    HD2  ARG  20          2HD       ARG  20  -6.850 -13.092 -27.908
  172    HD3  ARG  20          3HD       ARG  20  -5.549 -14.252 -28.176
  173    HE   ARG  20           HE       ARG  20  -5.705 -13.639 -25.435
  174   HH11  ARG  20          1HH1      ARG  20  -7.457 -15.327 -27.926
  175   HH12  ARG  20          2HH1      ARG  20  -8.179 -16.460 -26.832
  176   HH21  ARG  20          1HH2      ARG  20  -6.650 -15.125 -23.985
  177   HH22  ARG  20          2HH2      ARG  20  -7.720 -16.344 -24.590
  178    H    HIS  21           H        HIS  21  -4.908 -10.256 -25.451
  179    HA   HIS  21           HA       HIS  21  -5.896 -12.246 -23.576
  180    HB2  HIS  21          2HB       HIS  21  -3.805 -11.877 -22.377
  181    HB3  HIS  21          3HB       HIS  21  -3.484 -12.138 -24.089
  182    HD1  HIS  21           HD1      HIS  21  -1.459 -10.684 -22.259
  183    HD2  HIS  21           HD2      HIS  21  -4.297  -8.775 -24.617
  184    HE1  HIS  21           HE1      HIS  21  -0.566  -8.364 -22.639
  185    H    SER  22           H        SER  22  -6.238  -8.938 -24.113
  186    HA   SER  22           HA       SER  22  -6.249  -7.789 -21.601
  187    HB2  SER  22          2HB       SER  22  -6.777  -6.827 -24.023
  188    HB3  SER  22          3HB       SER  22  -8.442  -7.041 -23.483
  189    HG   SER  22           HG       SER  22  -7.997  -5.706 -21.722
  190    H    ARG  23           H        ARG  23  -8.378 -10.145 -22.897
  191    HA   ARG  23           HA       ARG  23 -10.578  -9.613 -21.127
  192    HB2  ARG  23          2HB       ARG  23  -9.955 -11.525 -23.269
  193    HB3  ARG  23          3HB       ARG  23 -10.938 -12.193 -21.973
  194    HG2  ARG  23          2HG       ARG  23 -12.268  -9.916 -22.366
  195    HG3  ARG  23          3HG       ARG  23 -11.590 -10.127 -23.982
  196    HD2  ARG  23          2HD       ARG  23 -12.482 -12.506 -23.873
  197    HD3  ARG  23          3HD       ARG  23 -13.393 -11.987 -22.456
  198    HE   ARG  23           HE       ARG  23 -13.922 -10.175 -24.500
  199   HH11  ARG  23          1HH1      ARG  23 -14.433 -13.547 -23.801
  200   HH12  ARG  23          2HH1      ARG  23 -15.882 -13.657 -24.743
  201   HH21  ARG  23          1HH2      ARG  23 -15.830 -10.307 -25.743
  202   HH22  ARG  23          2HH2      ARG  23 -16.676 -11.814 -25.848
  203    H    LEU  24           H        LEU  24  -7.680 -11.527 -21.044
  204    HA   LEU  24           HA       LEU  24  -8.564 -12.862 -18.585
  205    HB2  LEU  24          2HB       LEU  24  -6.491 -14.227 -18.898
  206    HB3  LEU  24          3HB       LEU  24  -7.706 -14.402 -20.163
  207    HG   LEU  24           HG       LEU  24  -6.312 -12.738 -21.502
  208   HD11  LEU  24          1HD1      LEU  24  -4.551 -13.214 -19.153
  209   HD12  LEU  24          2HD1      LEU  24  -4.811 -11.745 -20.093
  210   HD13  LEU  24          3HD1      LEU  24  -3.812 -13.043 -20.746
  211   HD21  LEU  24          1HD2      LEU  24  -5.188 -15.455 -20.827
  212   HD22  LEU  24          2HD2      LEU  24  -4.758 -14.498 -22.245
  213   HD23  LEU  24          3HD2      LEU  24  -6.407 -15.095 -22.051
  214    H    GLN  25           H        GLN  25  -6.756 -10.227 -19.641
  215    HA   GLN  25           HA       GLN  25  -4.917 -10.243 -17.386
  216    HB2  GLN  25          2HB       GLN  25  -3.644  -9.137 -18.846
  217    HB3  GLN  25          3HB       GLN  25  -4.984  -9.011 -19.977
  218    HG2  GLN  25          2HG       GLN  25  -4.229  -6.815 -19.534
  219    HG3  GLN  25          3HG       GLN  25  -5.768  -7.014 -18.698
  220   HE21  GLN  25          1HE2      GLN  25  -5.594  -5.691 -17.008
  221   HE22  GLN  25          2HE2      GLN  25  -4.332  -5.741 -15.829
  222    H    ARG  26           H        ARG  26  -7.768  -8.520 -18.519
  223    HA   ARG  26           HA       ARG  26  -7.850  -6.382 -16.789
  224    HB2  ARG  26          2HB       ARG  26  -9.812  -6.070 -17.803
  225    HB3  ARG  26          3HB       ARG  26  -9.644  -7.655 -18.547
  226    HG2  ARG  26          2HG       ARG  26 -10.779  -8.672 -16.635
  227    HG3  ARG  26          3HG       ARG  26 -10.954  -7.079 -15.897
  228    HD2  ARG  26          2HD       ARG  26 -12.946  -7.058 -16.930
  229    HD3  ARG  26          3HD       ARG  26 -12.006  -6.644 -18.364
  230    HE   ARG  26           HE       ARG  26 -12.515  -8.693 -19.233
  231   HH11  ARG  26          1HH1      ARG  26 -13.097  -8.751 -15.801
  232   HH12  ARG  26          2HH1      ARG  26 -13.820 -10.325 -15.818
  233   HH21  ARG  26          1HH2      ARG  26 -13.465 -10.767 -19.269
  234   HH22  ARG  26          2HH2      ARG  26 -14.028 -11.472 -17.791
  Start of MODEL   16
    1    H1   TYR   1           H        TYR   1   2.411   0.221   0.707
    2    HA   TYR   1           HA       TYR   1   3.490  -0.362  -1.278
    3    HB2  TYR   1          2HB       TYR   1   1.133  -1.878  -1.526
    4    HB3  TYR   1          3HB       TYR   1   1.237  -0.912  -2.993
    5    HD1  TYR   1           HD1      TYR   1   3.966  -0.793  -3.715
    6    HD2  TYR   1           HD2      TYR   1   1.886  -4.023  -1.886
    7    HE1  TYR   1           HE1      TYR   1   5.613  -2.369  -4.639
    8    HE2  TYR   1           HE2      TYR   1   3.528  -5.608  -2.804
    9    HH   TYR   1           HH       TYR   1   5.181  -5.481  -4.994
   10    H    TYR   2           H        TYR   2   4.164   1.245  -2.539
   11    HA   TYR   2           HA       TYR   2   2.317   3.456  -3.074
   12    HB2  TYR   2          2HB       TYR   2   4.813   4.310  -3.872
   13    HB3  TYR   2          3HB       TYR   2   4.078   4.621  -2.303
   14    HD1  TYR   2           HD1      TYR   2   5.081   3.819  -0.348
   15    HD2  TYR   2           HD2      TYR   2   6.270   2.217  -4.106
   16    HE1  TYR   2           HE1      TYR   2   6.914   2.606   0.756
   17    HE2  TYR   2           HE2      TYR   2   8.105   0.999  -3.012
   18    HH   TYR   2           HH       TYR   2   8.390   0.823   0.449
   19    H    HIS   3           H        HIS   3   4.521   1.220  -4.670
   20    HA   HIS   3           HA       HIS   3   4.539   2.238  -7.237
   21    HB2  HIS   3          2HB       HIS   3   5.466  -0.056  -6.034
   22    HB3  HIS   3          3HB       HIS   3   4.261  -0.680  -7.156
   23    HD1  HIS   3           HD1      HIS   3   4.982   1.761  -9.238
   24    HD2  HIS   3           HD2      HIS   3   7.509  -1.137  -7.662
   25    HE1  HIS   3           HE1      HIS   3   6.899   1.588 -10.856
   26    H    PHE   4           H        PHE   4   1.920   0.895  -5.491
   27    HA   PHE   4           HA       PHE   4   0.329  -0.105  -7.571
   28    HB2  PHE   4          2HB       PHE   4   0.076   0.130  -4.836
   29    HB3  PHE   4          3HB       PHE   4  -1.170   1.221  -5.433
   30    HD1  PHE   4           HD1      PHE   4   0.139  -2.175  -6.275
   31    HD2  PHE   4           HD2      PHE   4  -3.256   0.311  -5.633
   32    HE1  PHE   4           HE1      PHE   4  -1.342  -4.098  -6.681
   33    HE2  PHE   4           HE2      PHE   4  -4.742  -1.608  -6.036
   34    HZ   PHE   4           HZ       PHE   4  -3.785  -3.816  -6.561
   35    H    TRP   5           H        TRP   5   1.268   3.074  -6.857
   36    HA   TRP   5           HA       TRP   5  -0.999   4.495  -7.782
   37    HB2  TRP   5          2HB       TRP   5   0.385   6.430  -7.756
   38    HB3  TRP   5          3HB       TRP   5   0.930   5.421  -6.418
   39    HD1  TRP   5           HD1      TRP   5   2.903   3.478  -7.836
   40    HE1  TRP   5           HE1      TRP   5   5.100   4.342  -8.861
   41    HE3  TRP   5           HE3      TRP   5   1.646   8.399  -8.415
   42    HZ2  TRP   5           HZ2      TRP   5   6.159   6.787  -9.792
   43    HZ3  TRP   5           HZ3      TRP   5   3.308   9.935  -9.381
   44    HH2  TRP   5           HH2      TRP   5   5.518   9.144 -10.054
   45    H    HIS   6           H        HIS   6   1.823   3.147  -9.386
   46    HA   HIS   6           HA       HIS   6   0.750   4.066 -11.969
   47    HB2  HIS   6          2HB       HIS   6   3.515   3.640 -10.955
   48    HB3  HIS   6          3HB       HIS   6   3.210   3.275 -12.651
   49    HD1  HIS   6           HD1      HIS   6   4.809   5.299 -13.213
   50    HD2  HIS   6           HD2      HIS   6   1.274   6.315 -11.281
   51    HE1  HIS   6           HE1      HIS   6   4.570   7.785 -13.511
   52    H    ARG   7           H        ARG   7   2.013   1.291 -10.204
   53    HA   ARG   7           HA       ARG   7   1.774  -0.545 -12.370
   54    HB2  ARG   7          2HB       ARG   7   1.851  -1.139  -9.407
   55    HB3  ARG   7          3HB       ARG   7   2.187  -2.270 -10.710
   56    HG2  ARG   7          2HG       ARG   7   3.807   0.225 -10.400
   57    HG3  ARG   7          3HG       ARG   7   4.155  -1.210  -9.435
   58    HD2  ARG   7          2HD       ARG   7   4.037  -1.117 -12.447
   59    HD3  ARG   7          3HD       ARG   7   5.515  -1.096 -11.486
   60    HE   ARG   7           HE       ARG   7   4.107  -3.344 -10.707
   61   HH11  ARG   7          1HH1      ARG   7   5.545  -2.106 -13.626
   62   HH12  ARG   7          2HH1      ARG   7   5.886  -3.674 -14.278
   63   HH21  ARG   7          1HH2      ARG   7   4.550  -5.414 -11.555
   64   HH22  ARG   7          2HH2      ARG   7   5.319  -5.555 -13.100
   65    H    GLY   8           H        GLY   8  -0.058  -0.436  -9.304
   66    HA2  GLY   8          2HA       GLY   8  -2.118  -2.130 -10.122
   67    HA3  GLY   8          3HA       GLY   8  -2.247  -0.939  -8.836
   68    H    VAL   9           H        VAL   9  -1.536   1.157 -10.954
   69    HA   VAL   9           HA       VAL   9  -4.295   1.617 -11.773
   70    HB   VAL   9           HB       VAL   9  -1.900   3.436 -12.062
   71   HG11  VAL   9          1HG1      VAL   9  -3.257   4.621 -13.370
   72   HG12  VAL   9          2HG1      VAL   9  -4.635   3.586 -12.992
   73   HG13  VAL   9          3HG1      VAL   9  -4.231   4.939 -11.935
   74   HG21  VAL   9          1HG2      VAL   9  -2.149   3.225  -9.761
   75   HG22  VAL   9          2HG2      VAL   9  -3.132   4.640 -10.136
   76   HG23  VAL   9          3HG2      VAL   9  -3.903   3.078  -9.864
   77    H    THR  10           H        THR  10  -1.442   0.365 -13.077
   78    HA   THR  10           HA       THR  10  -1.453   1.245 -15.713
   79    HB   THR  10           HB       THR  10   0.231  -0.308 -14.504
   80    HG1  THR  10           HG1      THR  10   0.606  -1.341 -16.718
   81   HG21  THR  10          1HG2      THR  10  -0.138  -2.540 -14.398
   82   HG22  THR  10          2HG2      THR  10  -1.062  -2.566 -15.899
   83   HG23  THR  10          3HG2      THR  10  -1.829  -2.044 -14.400
   84    H    LYS  11           H        LYS  11  -3.730  -0.700 -14.077
   85    HA   LYS  11           HA       LYS  11  -4.722  -2.349 -16.080
   86    HB2  LYS  11          2HB       LYS  11  -6.089  -2.906 -14.409
   87    HB3  LYS  11          3HB       LYS  11  -5.525  -1.518 -13.487
   88    HG2  LYS  11          2HG       LYS  11  -7.246  -0.127 -14.489
   89    HG3  LYS  11          3HG       LYS  11  -7.796  -1.490 -15.466
   90    HD2  LYS  11          2HD       LYS  11  -7.646  -2.016 -12.579
   91    HD3  LYS  11          3HD       LYS  11  -8.835  -0.800 -13.051
   92    HE2  LYS  11          2HE       LYS  11  -9.295  -2.717 -14.909
   93    HE3  LYS  11          3HE       LYS  11  -8.789  -3.703 -13.538
   94    HZ1  LYS  11          1HZ       LYS  11 -11.208  -3.297 -13.634
   95    HZ2  LYS  11          2HZ       LYS  11 -10.924  -1.644 -13.412
   96    HZ3  LYS  11          3HZ       LYS  11 -10.502  -2.745 -12.199
   97    H    ARG  12           H        ARG  12  -5.456   1.040 -15.379
   98    HA   ARG  12           HA       ARG  12  -7.371   1.211 -17.536
   99    HB2  ARG  12          2HB       ARG  12  -7.933   3.265 -16.699
  100    HB3  ARG  12          3HB       ARG  12  -7.228   2.555 -15.253
  101    HG2  ARG  12          2HG       ARG  12  -5.032   3.653 -16.357
  102    HG3  ARG  12          3HG       ARG  12  -6.272   4.767 -16.937
  103    HD2  ARG  12          2HD       ARG  12  -6.274   3.964 -14.067
  104    HD3  ARG  12          3HD       ARG  12  -5.086   5.142 -14.621
  105    HE   ARG  12           HE       ARG  12  -7.516   6.015 -15.579
  106   HH11  ARG  12          1HH1      ARG  12  -6.111   5.350 -12.464
  107   HH12  ARG  12          2HH1      ARG  12  -7.068   6.534 -11.635
  108   HH21  ARG  12          1HH2      ARG  12  -8.781   7.576 -14.499
  109   HH22  ARG  12          2HH2      ARG  12  -8.586   7.799 -12.794
  110    H    SER  13           H        SER  13  -3.994   1.583 -17.145
  111    HA   SER  13           HA       SER  13  -3.679   3.304 -19.464
  112    HB2  SER  13          2HB       SER  13  -1.991   2.408 -17.246
  113    HB3  SER  13          3HB       SER  13  -1.152   2.412 -18.798
  114    HG   SER  13           HG       SER  13  -1.721   4.585 -19.044
  115    H    LEU  14           H        LEU  14  -3.840  -0.028 -18.760
  116    HA   LEU  14           HA       LEU  14  -2.459  -0.763 -21.238
  117    HB2  LEU  14          2HB       LEU  14  -2.523  -3.034 -20.423
  118    HB3  LEU  14          3HB       LEU  14  -1.844  -1.966 -19.196
  119    HG   LEU  14           HG       LEU  14  -4.345  -1.990 -18.318
  120   HD11  LEU  14          1HD1      LEU  14  -4.747  -3.611 -20.393
  121   HD12  LEU  14          2HD1      LEU  14  -5.632  -3.768 -18.877
  122   HD13  LEU  14          3HD1      LEU  14  -4.249  -4.812 -19.201
  123   HD21  LEU  14          1HD2      LEU  14  -2.865  -2.673 -16.743
  124   HD22  LEU  14          2HD2      LEU  14  -2.022  -3.762 -17.846
  125   HD23  LEU  14          3HD2      LEU  14  -3.559  -4.248 -17.129
  126    H    SER  15           H        SER  15  -5.603  -0.709 -19.726
  127    HA   SER  15           HA       SER  15  -7.220  -2.381 -20.967
  128    HB2  SER  15          2HB       SER  15  -8.342   0.231 -21.481
  129    HB3  SER  15          3HB       SER  15  -8.824  -0.971 -20.284
  130    HG   SER  15           HG       SER  15  -7.235  -0.142 -18.896
  131    HA   PRO  16           HA       PRO  16  -7.260  -0.041 -25.195
  132    HB2  PRO  16          2HB       PRO  16  -5.412   1.916 -25.550
  133    HB3  PRO  16          3HB       PRO  16  -7.017   2.222 -24.876
  134    HG2  PRO  16          2HG       PRO  16  -4.402   1.873 -23.459
  135    HG3  PRO  16          3HG       PRO  16  -5.690   3.054 -23.157
  136    HD2  PRO  16          2HD       PRO  16  -5.380   0.821 -21.657
  137    HD3  PRO  16          3HD       PRO  16  -6.969   1.545 -21.975
  138    H    HIS  17           H        HIS  17  -5.933  -2.310 -24.643
  139    HA   HIS  17           HA       HIS  17  -3.645  -2.178 -26.473
  140    HB2  HIS  17          2HB       HIS  17  -2.258  -3.519 -25.093
  141    HB3  HIS  17          3HB       HIS  17  -2.902  -2.261 -24.042
  142    HD1  HIS  17           HD1      HIS  17  -1.858  -5.047 -23.028
  143    HD2  HIS  17           HD2      HIS  17  -5.837  -4.051 -23.689
  144    HE1  HIS  17           HE1      HIS  17  -3.193  -6.620 -21.590
  145    H    ARG  18           H        ARG  18  -2.939  -4.822 -26.496
  146    HA   ARG  18           HA       ARG  18  -4.638  -5.982 -28.299
  147    HB2  ARG  18          2HB       ARG  18  -2.565  -7.059 -26.449
  148    HB3  ARG  18          3HB       ARG  18  -3.606  -8.210 -27.276
  149    HG2  ARG  18          2HG       ARG  18  -2.862  -7.510 -29.401
  150    HG3  ARG  18          3HG       ARG  18  -2.083  -6.074 -28.734
  151    HD2  ARG  18          2HD       ARG  18  -0.667  -7.766 -27.383
  152    HD3  ARG  18          3HD       ARG  18  -1.226  -8.939 -28.576
  153    HE   ARG  18           HE       ARG  18  -0.132  -6.583 -29.774
  154   HH11  ARG  18          1HH1      ARG  18   0.663  -9.652 -28.336
  155   HH12  ARG  18          2HH1      ARG  18   2.170  -9.804 -29.177
  156   HH21  ARG  18          1HH2      ARG  18   1.849  -6.771 -30.888
  157   HH22  ARG  18          2HH2      ARG  18   2.844  -8.164 -30.628
  158    HA   PRO  19           HA       PRO  19  -8.099  -6.800 -25.527
  159    HB2  PRO  19          2HB       PRO  19  -9.861  -7.317 -27.527
  160    HB3  PRO  19          3HB       PRO  19  -9.425  -5.678 -27.031
  161    HG2  PRO  19          2HG       PRO  19  -8.406  -7.295 -29.335
  162    HG3  PRO  19          3HG       PRO  19  -8.864  -5.583 -29.286
  163    HD2  PRO  19          2HD       PRO  19  -6.286  -6.405 -29.181
  164    HD3  PRO  19          3HD       PRO  19  -6.857  -4.943 -28.351
  165    H    ARG  20           H        ARG  20  -6.224  -8.796 -27.405
  166    HA   ARG  20           HA       ARG  20  -7.754 -11.134 -27.646
  167    HB2  ARG  20          2HB       ARG  20  -5.846 -11.363 -28.863
  168    HB3  ARG  20          3HB       ARG  20  -4.877 -10.449 -27.715
  169    HG2  ARG  20          2HG       ARG  20  -4.412 -12.296 -26.427
  170    HG3  ARG  20          3HG       ARG  20  -5.846 -13.167 -26.971
  171    HD2  ARG  20          2HD       ARG  20  -4.842 -13.905 -28.883
  172    HD3  ARG  20          3HD       ARG  20  -3.788 -12.496 -29.000
  173    HE   ARG  20           HE       ARG  20  -2.218 -13.602 -27.744
  174   HH11  ARG  20          1HH1      ARG  20  -5.258 -15.288 -27.548
  175   HH12  ARG  20          2HH1      ARG  20  -4.589 -16.668 -26.742
  176   HH21  ARG  20          1HH2      ARG  20  -1.326 -15.413 -26.682
  177   HH22  ARG  20          2HH2      ARG  20  -2.353 -16.738 -26.249
  178    H    HIS  21           H        HIS  21  -5.153 -10.565 -25.268
  179    HA   HIS  21           HA       HIS  21  -6.314 -12.570 -23.517
  180    HB2  HIS  21          2HB       HIS  21  -4.295 -12.285 -22.175
  181    HB3  HIS  21          3HB       HIS  21  -3.874 -12.513 -23.870
  182    HD1  HIS  21           HD1      HIS  21  -1.905 -11.174 -21.922
  183    HD2  HIS  21           HD2      HIS  21  -4.594  -9.101 -24.317
  184    HE1  HIS  21           HE1      HIS  21  -0.939  -8.866 -22.175
  185    H    SER  22           H        SER  22  -6.484  -9.218 -23.949
  186    HA   SER  22           HA       SER  22  -6.637  -8.136 -21.431
  187    HB2  SER  22          2HB       SER  22  -7.088  -7.155 -23.888
  188    HB3  SER  22          3HB       SER  22  -8.758  -7.295 -23.339
  189    HG   SER  22           HG       SER  22  -8.213  -5.360 -22.583
  190    H    ARG  23           H        ARG  23  -8.751 -10.422 -22.883
  191    HA   ARG  23           HA       ARG  23 -11.103  -9.929 -21.416
  192    HB2  ARG  23          2HB       ARG  23 -10.042 -12.499 -22.602
  193    HB3  ARG  23          3HB       ARG  23 -11.669 -12.295 -21.966
  194    HG2  ARG  23          2HG       ARG  23 -10.803 -10.348 -24.009
  195    HG3  ARG  23          3HG       ARG  23 -11.055 -12.010 -24.549
  196    HD2  ARG  23          2HD       ARG  23 -13.295 -11.933 -24.182
  197    HD3  ARG  23          3HD       ARG  23 -13.140 -10.842 -22.806
  198    HE   ARG  23           HE       ARG  23 -13.502  -9.103 -24.230
  199   HH11  ARG  23          1HH1      ARG  23 -12.377 -11.829 -26.081
  200   HH12  ARG  23          2HH1      ARG  23 -12.575 -11.039 -27.610
  201   HH21  ARG  23          1HH2      ARG  23 -13.767  -8.052 -26.237
  202   HH22  ARG  23          2HH2      ARG  23 -13.365  -8.890 -27.698
  203    H    LEU  24           H        LEU  24  -8.161 -11.657 -20.652
  204    HA   LEU  24           HA       LEU  24  -9.304 -12.588 -18.120
  205    HB2  LEU  24          2HB       LEU  24  -7.480 -14.070 -17.949
  206    HB3  LEU  24          3HB       LEU  24  -8.020 -14.138 -19.625
  207    HG   LEU  24           HG       LEU  24  -6.111 -12.422 -20.038
  208   HD11  LEU  24          1HD1      LEU  24  -4.206 -13.203 -18.368
  209   HD12  LEU  24          2HD1      LEU  24  -5.582 -13.370 -17.278
  210   HD13  LEU  24          3HD1      LEU  24  -5.237 -11.813 -18.030
  211   HD21  LEU  24          1HD2      LEU  24  -5.199 -14.169 -21.057
  212   HD22  LEU  24          2HD2      LEU  24  -6.321 -15.213 -20.184
  213   HD23  LEU  24          3HD2      LEU  24  -4.723 -14.880 -19.514
  214    H    GLN  25           H        GLN  25  -7.505 -10.039 -19.372
  215    HA   GLN  25           HA       GLN  25  -5.998  -9.555 -16.927
  216    HB2  GLN  25          2HB       GLN  25  -4.579  -8.618 -18.371
  217    HB3  GLN  25          3HB       GLN  25  -5.741  -8.793 -19.679
  218    HG2  GLN  25          2HG       GLN  25  -5.179  -6.504 -19.555
  219    HG3  GLN  25          3HG       GLN  25  -6.805  -6.668 -18.894
  220   HE21  GLN  25          1HE2      GLN  25  -6.917  -5.042 -17.483
  221   HE22  GLN  25          2HE2      GLN  25  -5.831  -4.796 -16.162
  222    H    ARG  26           H        ARG  26  -8.751  -8.275 -18.698
  223    HA   ARG  26           HA       ARG  26  -9.184  -5.869 -17.456
  224    HB2  ARG  26          2HB       ARG  26 -11.259  -5.926 -18.386
  225    HB3  ARG  26          3HB       ARG  26 -10.575  -7.302 -19.242
  226    HG2  ARG  26          2HG       ARG  26 -12.513  -8.242 -18.536
  227    HG3  ARG  26          3HG       ARG  26 -11.506  -8.604 -17.133
  228    HD2  ARG  26          2HD       ARG  26 -12.616  -7.159 -15.799
  229    HD3  ARG  26          3HD       ARG  26 -12.856  -5.987 -17.094
  230    HE   ARG  26           HE       ARG  26 -14.655  -8.083 -16.296
  231   HH11  ARG  26          1HH1      ARG  26 -13.679  -5.975 -18.889
  232   HH12  ARG  26          2HH1      ARG  26 -15.208  -6.050 -19.700
  233   HH21  ARG  26          1HH2      ARG  26 -16.673  -8.190 -17.355
  234   HH22  ARG  26          2HH2      ARG  26 -16.910  -7.309 -18.826
  Start of MODEL   17
    1    H1   TYR   1           H        TYR   1   2.618  -2.179  -2.571
    2    HA   TYR   1           HA       TYR   1   0.719  -0.930  -2.218
    3    HB2  TYR   1          2HB       TYR   1   2.702  -0.448  -0.143
    4    HB3  TYR   1          3HB       TYR   1   1.554   0.879  -0.278
    5    HD1  TYR   1           HD1      TYR   1   2.086  -2.497   0.858
    6    HD2  TYR   1           HD2      TYR   1  -0.906   0.383  -0.066
    7    HE1  TYR   1           HE1      TYR   1   0.445  -3.798   2.148
    8    HE2  TYR   1           HE2      TYR   1  -2.555  -0.909   1.222
    9    HH   TYR   1           HH       TYR   1  -2.034  -2.900   3.407
   10    H    TYR   2           H        TYR   2   3.604   0.955  -2.828
   11    HA   TYR   2           HA       TYR   2   1.981   3.263  -3.619
   12    HB2  TYR   2          2HB       TYR   2   4.628   3.981  -3.968
   13    HB3  TYR   2          3HB       TYR   2   3.639   4.343  -2.557
   14    HD1  TYR   2           HD1      TYR   2   4.186   3.455  -0.454
   15    HD2  TYR   2           HD2      TYR   2   6.020   1.851  -3.942
   16    HE1  TYR   2           HE1      TYR   2   5.717   2.148   0.959
   17    HE2  TYR   2           HE2      TYR   2   7.556   0.539  -2.539
   18    HH   TYR   2           HH       TYR   2   8.189   1.126   0.538
   19    H    HIS   3           H        HIS   3   4.294   0.924  -4.869
   20    HA   HIS   3           HA       HIS   3   4.820   1.966  -7.368
   21    HB2  HIS   3          2HB       HIS   3   5.707  -0.188  -6.255
   22    HB3  HIS   3          3HB       HIS   3   4.303  -0.972  -6.972
   23    HD1  HIS   3           HD1      HIS   3   5.802   1.686  -9.029
   24    HD2  HIS   3           HD2      HIS   3   6.206  -2.423  -8.564
   25    HE1  HIS   3           HE1      HIS   3   7.069   0.901 -11.055
   26    H    PHE   4           H        PHE   4   1.855   0.764  -6.135
   27    HA   PHE   4           HA       PHE   4   0.584  -0.077  -8.484
   28    HB2  PHE   4          2HB       PHE   4  -0.340   0.909  -5.824
   29    HB3  PHE   4          3HB       PHE   4  -1.519   0.807  -7.127
   30    HD1  PHE   4           HD1      PHE   4  -2.881  -0.977  -6.550
   31    HD2  PHE   4           HD2      PHE   4   1.347  -1.432  -6.366
   32    HE1  PHE   4           HE1      PHE   4  -3.162  -3.381  -6.107
   33    HE2  PHE   4           HE2      PHE   4   1.073  -3.836  -5.923
   34    HZ   PHE   4           HZ       PHE   4  -1.184  -4.814  -5.794
   35    H    TRP   5           H        TRP   5   1.626   3.003  -7.565
   36    HA   TRP   5           HA       TRP   5  -0.361   4.593  -8.825
   37    HB2  TRP   5          2HB       TRP   5   1.104   6.433  -8.481
   38    HB3  TRP   5          3HB       TRP   5   1.337   5.362  -7.101
   39    HD1  TRP   5           HD1      TRP   5   3.422   3.332  -8.195
   40    HE1  TRP   5           HE1      TRP   5   5.814   4.080  -8.782
   41    HE3  TRP   5           HE3      TRP   5   2.573   8.331  -8.849
   42    HZ2  TRP   5           HZ2      TRP   5   7.162   6.472  -9.436
   43    HZ3  TRP   5           HZ3      TRP   5   4.467   9.780  -9.454
   44    HH2  TRP   5           HH2      TRP   5   6.714   8.868  -9.740
   45    H    HIS   6           H        HIS   6   2.623   3.094  -9.920
   46    HA   HIS   6           HA       HIS   6   2.095   4.115 -12.632
   47    HB2  HIS   6          2HB       HIS   6   4.462   4.135 -11.109
   48    HB3  HIS   6          3HB       HIS   6   4.701   2.910 -12.352
   49    HD1  HIS   6           HD1      HIS   6   5.948   3.926 -14.218
   50    HD2  HIS   6           HD2      HIS   6   3.154   6.557 -12.627
   51    HE1  HIS   6           HE1      HIS   6   6.096   6.000 -15.633
   52    H    ARG   7           H        ARG   7   2.802   1.261 -10.710
   53    HA   ARG   7           HA       ARG   7   2.668  -0.473 -13.041
   54    HB2  ARG   7          2HB       ARG   7   3.492  -2.174 -11.691
   55    HB3  ARG   7          3HB       ARG   7   4.241  -0.744 -10.992
   56    HG2  ARG   7          2HG       ARG   7   3.517  -1.700  -9.080
   57    HG3  ARG   7          3HG       ARG   7   2.041  -0.825  -9.492
   58    HD2  ARG   7          2HD       ARG   7   1.967  -3.296 -10.863
   59    HD3  ARG   7          3HD       ARG   7   2.442  -3.636  -9.200
   60    HE   ARG   7           HE       ARG   7   0.325  -1.947  -8.947
   61   HH11  ARG   7          1HH1      ARG   7   0.850  -4.967 -10.598
   62   HH12  ARG   7          2HH1      ARG   7  -0.796  -5.486 -10.446
   63   HH21  ARG   7          1HH2      ARG   7  -1.844  -2.620  -8.739
   64   HH22  ARG   7          2HH2      ARG   7  -2.328  -4.150  -9.389
   65    H    GLY   8           H        GLY   8   0.724   0.462 -10.282
   66    HA2  GLY   8          2HA       GLY   8  -1.286  -1.568 -10.855
   67    HA3  GLY   8          3HA       GLY   8  -1.321  -0.409  -9.535
   68    H    VAL   9           H        VAL   9  -0.617   1.644 -11.774
   69    HA   VAL   9           HA       VAL   9  -3.403   2.288 -12.334
   70    HB   VAL   9           HB       VAL   9  -0.863   3.868 -12.736
   71   HG11  VAL   9          1HG1      VAL   9  -2.819   5.697 -12.998
   72   HG12  VAL   9          2HG1      VAL   9  -2.062   4.875 -14.364
   73   HG13  VAL   9          3HG1      VAL   9  -3.605   4.300 -13.732
   74   HG21  VAL   9          1HG2      VAL   9  -2.078   5.347 -11.021
   75   HG22  VAL   9          2HG2      VAL   9  -3.079   3.928 -10.716
   76   HG23  VAL   9          3HG2      VAL   9  -1.337   3.852 -10.450
   77    H    THR  10           H        THR  10  -0.652   0.985 -13.916
   78    HA   THR  10           HA       THR  10  -1.072   1.751 -16.563
   79    HB   THR  10           HB       THR  10   0.934   0.520 -15.737
   80    HG1  THR  10           HG1      THR  10   1.098   0.288 -17.832
   81   HG21  THR  10          1HG2      THR  10  -0.847  -1.286 -14.730
   82   HG22  THR  10          2HG2      THR  10   0.873  -1.595 -14.968
   83   HG23  THR  10          3HG2      THR  10  -0.293  -2.107 -16.189
   84    H    LYS  11           H        LYS  11  -2.962  -0.248 -14.554
   85    HA   LYS  11           HA       LYS  11  -4.074  -2.074 -16.332
   86    HB2  LYS  11          2HB       LYS  11  -5.151  -2.639 -14.463
   87    HB3  LYS  11          3HB       LYS  11  -4.594  -1.160 -13.692
   88    HG2  LYS  11          2HG       LYS  11  -6.544   0.030 -14.511
   89    HG3  LYS  11          3HG       LYS  11  -7.094  -1.421 -15.352
   90    HD2  LYS  11          2HD       LYS  11  -6.534  -1.787 -12.491
   91    HD3  LYS  11          3HD       LYS  11  -7.872  -0.693 -12.850
   92    HE2  LYS  11          2HE       LYS  11  -8.755  -2.503 -14.387
   93    HE3  LYS  11          3HE       LYS  11  -7.553  -3.572 -13.667
   94    HZ1  LYS  11          1HZ       LYS  11  -8.652  -3.639 -11.697
   95    HZ2  LYS  11          2HZ       LYS  11  -9.980  -3.387 -12.713
   96    HZ3  LYS  11          3HZ       LYS  11  -9.309  -2.089 -11.861
   97    H    ARG  12           H        ARG  12  -4.990   1.280 -15.667
   98    HA   ARG  12           HA       ARG  12  -7.174   1.202 -17.554
   99    HB2  ARG  12          2HB       ARG  12  -7.746   3.300 -16.785
  100    HB3  ARG  12          3HB       ARG  12  -6.914   2.646 -15.381
  101    HG2  ARG  12          2HG       ARG  12  -4.850   3.795 -16.698
  102    HG3  ARG  12          3HG       ARG  12  -6.178   4.866 -17.150
  103    HD2  ARG  12          2HD       ARG  12  -5.502   4.074 -14.321
  104    HD3  ARG  12          3HD       ARG  12  -4.977   5.570 -15.092
  105    HE   ARG  12           HE       ARG  12  -7.686   5.575 -15.390
  106   HH11  ARG  12          1HH1      ARG  12  -5.518   5.290 -12.680
  107   HH12  ARG  12          2HH1      ARG  12  -6.612   6.031 -11.560
  108   HH21  ARG  12          1HH2      ARG  12  -9.135   6.552 -13.924
  109   HH22  ARG  12          2HH2      ARG  12  -8.670   6.748 -12.268
  110    H    SER  13           H        SER  13  -3.814   1.871 -17.628
  111    HA   SER  13           HA       SER  13  -3.937   3.494 -20.027
  112    HB2  SER  13          2HB       SER  13  -1.916   2.806 -18.035
  113    HB3  SER  13          3HB       SER  13  -1.288   2.751 -19.682
  114    HG   SER  13           HG       SER  13  -2.557   4.926 -18.380
  115    H    LEU  14           H        LEU  14  -3.771   0.184 -19.214
  116    HA   LEU  14           HA       LEU  14  -2.721  -0.550 -21.849
  117    HB2  LEU  14          2HB       LEU  14  -2.548  -2.808 -20.959
  118    HB3  LEU  14          3HB       LEU  14  -1.703  -1.648 -19.937
  119    HG   LEU  14           HG       LEU  14  -3.978  -1.715 -18.590
  120   HD11  LEU  14          1HD1      LEU  14  -4.007  -4.573 -19.222
  121   HD12  LEU  14          2HD1      LEU  14  -4.600  -3.533 -20.517
  122   HD13  LEU  14          3HD1      LEU  14  -5.341  -3.460 -18.918
  123   HD21  LEU  14          1HD2      LEU  14  -1.522  -3.341 -18.501
  124   HD22  LEU  14          2HD2      LEU  14  -2.871  -3.930 -17.530
  125   HD23  LEU  14          3HD2      LEU  14  -2.245  -2.301 -17.273
  126    H    SER  15           H        SER  15  -5.592  -0.708 -19.857
  127    HA   SER  15           HA       SER  15  -7.240  -2.523 -20.830
  128    HB2  SER  15          2HB       SER  15  -8.630  -1.197 -19.667
  129    HB3  SER  15          3HB       SER  15  -7.617   0.218 -19.952
  130    HG   SER  15           HG       SER  15  -9.927  -0.024 -20.895
  131    HA   PRO  16           HA       PRO  16  -8.135  -0.231 -24.992
  132    HB2  PRO  16          2HB       PRO  16  -6.520   1.855 -25.631
  133    HB3  PRO  16          3HB       PRO  16  -8.016   2.046 -24.709
  134    HG2  PRO  16          2HG       PRO  16  -5.191   1.908 -23.728
  135    HG3  PRO  16          3HG       PRO  16  -6.499   2.992 -23.222
  136    HD2  PRO  16          2HD       PRO  16  -5.788   0.803 -21.796
  137    HD3  PRO  16          3HD       PRO  16  -7.457   1.403 -21.855
  138    H    HIS  17           H        HIS  17  -6.581  -2.391 -24.676
  139    HA   HIS  17           HA       HIS  17  -4.657  -2.123 -26.867
  140    HB2  HIS  17          2HB       HIS  17  -2.912  -3.244 -25.736
  141    HB3  HIS  17          3HB       HIS  17  -3.500  -2.044 -24.590
  142    HD1  HIS  17           HD1      HIS  17  -2.002  -4.769 -23.879
  143    HD2  HIS  17           HD2      HIS  17  -6.085  -4.046 -23.613
  144    HE1  HIS  17           HE1      HIS  17  -2.870  -6.425 -22.197
  145    H    ARG  18           H        ARG  18  -3.713  -4.696 -26.942
  146    HA   ARG  18           HA       ARG  18  -5.593  -6.079 -28.374
  147    HB2  ARG  18          2HB       ARG  18  -3.093  -6.833 -26.966
  148    HB3  ARG  18          3HB       ARG  18  -4.161  -8.151 -27.431
  149    HG2  ARG  18          2HG       ARG  18  -3.552  -8.010 -29.561
  150    HG3  ARG  18          3HG       ARG  18  -3.789  -6.262 -29.590
  151    HD2  ARG  18          2HD       ARG  18  -1.608  -5.829 -29.213
  152    HD3  ARG  18          3HD       ARG  18  -1.425  -7.190 -28.107
  153    HE   ARG  18           HE       ARG  18  -0.654  -8.441 -29.852
  154   HH11  ARG  18          1HH1      ARG  18  -2.375  -5.693 -31.119
  155   HH12  ARG  18          2HH1      ARG  18  -1.950  -6.021 -32.767
  156   HH21  ARG  18          1HH2      ARG  18  -0.087  -8.884 -32.017
  157   HH22  ARG  18          2HH2      ARG  18  -0.649  -7.837 -33.276
  158    HA   PRO  19           HA       PRO  19  -8.394  -7.092 -24.989
  159    HB2  PRO  19          2HB       PRO  19 -10.430  -7.858 -26.614
  160    HB3  PRO  19          3HB       PRO  19 -10.075  -6.164 -26.252
  161    HG2  PRO  19          2HG       PRO  19  -9.337  -7.781 -28.660
  162    HG3  PRO  19          3HG       PRO  19  -9.946  -6.118 -28.573
  163    HD2  PRO  19          2HD       PRO  19  -7.323  -6.693 -28.925
  164    HD3  PRO  19          3HD       PRO  19  -7.875  -5.255 -28.043
  165    H    ARG  20           H        ARG  20  -6.740  -8.992 -27.176
  166    HA   ARG  20           HA       ARG  20  -8.044 -11.467 -27.034
  167    HB2  ARG  20          2HB       ARG  20  -5.071 -11.423 -27.069
  168    HB3  ARG  20          3HB       ARG  20  -6.194 -12.336 -28.068
  169    HG2  ARG  20          2HG       ARG  20  -6.772 -10.063 -29.124
  170    HG3  ARG  20          3HG       ARG  20  -5.272  -9.508 -28.379
  171    HD2  ARG  20          2HD       ARG  20  -5.595 -11.757 -30.359
  172    HD3  ARG  20          3HD       ARG  20  -4.825 -10.197 -30.643
  173    HE   ARG  20           HE       ARG  20  -3.492 -11.406 -28.525
  174   HH11  ARG  20          1HH1      ARG  20  -4.050 -11.971 -31.915
  175   HH12  ARG  20          2HH1      ARG  20  -2.552 -12.808 -32.155
  176   HH21  ARG  20          1HH2      ARG  20  -1.517 -12.506 -28.829
  177   HH22  ARG  20          2HH2      ARG  20  -1.113 -13.113 -30.399
  178    H    HIS  21           H        HIS  21  -5.063 -10.607 -25.274
  179    HA   HIS  21           HA       HIS  21  -5.662 -12.611 -23.265
  180    HB2  HIS  21          2HB       HIS  21  -3.447 -12.099 -22.376
  181    HB3  HIS  21          3HB       HIS  21  -3.361 -12.363 -24.115
  182    HD1  HIS  21           HD1      HIS  21  -1.197 -10.757 -22.581
  183    HD2  HIS  21           HD2      HIS  21  -4.439  -9.069 -24.557
  184    HE1  HIS  21           HE1      HIS  21  -0.511  -8.394 -23.102
  185    H    SER  22           H        SER  22  -6.261  -9.324 -23.738
  186    HA   SER  22           HA       SER  22  -5.984  -8.135 -21.277
  187    HB2  SER  22          2HB       SER  22  -7.021  -7.304 -23.595
  188    HB3  SER  22          3HB       SER  22  -8.529  -7.607 -22.732
  189    HG   SER  22           HG       SER  22  -7.541  -5.437 -22.528
  190    H    ARG  23           H        ARG  23  -8.182 -10.629 -22.215
  191    HA   ARG  23           HA       ARG  23 -10.111 -10.269 -20.165
  192    HB2  ARG  23          2HB       ARG  23  -9.360 -12.604 -21.911
  193    HB3  ARG  23          3HB       ARG  23 -10.605 -12.735 -20.676
  194    HG2  ARG  23          2HG       ARG  23 -11.664 -10.693 -21.825
  195    HG3  ARG  23          3HG       ARG  23 -10.603 -11.095 -23.177
  196    HD2  ARG  23          2HD       ARG  23 -11.559 -13.447 -23.021
  197    HD3  ARG  23          3HD       ARG  23 -12.787 -12.762 -21.957
  198    HE   ARG  23           HE       ARG  23 -12.728 -11.212 -24.264
  199   HH11  ARG  23          1HH1      ARG  23 -13.481 -14.483 -23.339
  200   HH12  ARG  23          2HH1      ARG  23 -14.641 -14.713 -24.605
  201   HH21  ARG  23          1HH2      ARG  23 -14.254 -11.502 -25.935
  202   HH22  ARG  23          2HH2      ARG  23 -15.079 -13.017 -26.082
  203    H    LEU  24           H        LEU  24  -7.003 -11.831 -20.310
  204    HA   LEU  24           HA       LEU  24  -7.404 -13.044 -17.675
  205    HB2  LEU  24          2HB       LEU  24  -4.829 -13.327 -19.103
  206    HB3  LEU  24          3HB       LEU  24  -5.740 -14.509 -18.166
  207    HG   LEU  24           HG       LEU  24  -6.616 -13.628 -20.903
  208   HD11  LEU  24          1HD1      LEU  24  -4.569 -14.482 -21.488
  209   HD12  LEU  24          2HD1      LEU  24  -5.557 -15.943 -21.502
  210   HD13  LEU  24          3HD1      LEU  24  -4.518 -15.595 -20.120
  211   HD21  LEU  24          1HD2      LEU  24  -8.386 -14.767 -20.042
  212   HD22  LEU  24          2HD2      LEU  24  -7.386 -15.716 -18.942
  213   HD23  LEU  24          3HD2      LEU  24  -7.455 -16.134 -20.655
  214    H    GLN  25           H        GLN  25  -6.111 -10.268 -19.106
  215    HA   GLN  25           HA       GLN  25  -4.127  -9.812 -17.027
  216    HB2  GLN  25          2HB       GLN  25  -3.147  -8.677 -18.679
  217    HB3  GLN  25          3HB       GLN  25  -4.574  -8.847 -19.693
  218    HG2  GLN  25          2HG       GLN  25  -4.125  -6.535 -19.497
  219    HG3  GLN  25          3HG       GLN  25  -5.545  -6.872 -18.509
  220   HE21  GLN  25          1HE2      GLN  25  -5.426  -5.366 -16.970
  221   HE22  GLN  25          2HE2      GLN  25  -4.084  -5.135 -15.907
  222    H    ARG  26           H        ARG  26  -7.285  -8.634 -18.034
  223    HA   ARG  26           HA       ARG  26  -7.557  -6.374 -16.489
  224    HB2  ARG  26          2HB       ARG  26  -9.618  -6.451 -17.338
  225    HB3  ARG  26          3HB       ARG  26  -9.268  -8.058 -17.960
  226    HG2  ARG  26          2HG       ARG  26 -10.078  -9.042 -15.872
  227    HG3  ARG  26          3HG       ARG  26 -10.437  -7.427 -15.257
  228    HD2  ARG  26          2HD       ARG  26 -11.590  -8.088 -17.889
  229    HD3  ARG  26          3HD       ARG  26 -12.232  -8.997 -16.521
  230    HE   ARG  26           HE       ARG  26 -12.307  -6.432 -15.658
  231   HH11  ARG  26          1HH1      ARG  26 -13.486  -8.043 -18.510
  232   HH12  ARG  26          2HH1      ARG  26 -14.830  -6.969 -18.720
  233   HH21  ARG  26          1HH2      ARG  26 -14.072  -5.012 -15.924
  234   HH22  ARG  26          2HH2      ARG  26 -15.161  -5.245 -17.249
  Start of MODEL   18
    1    H1   TYR   1           H        TYR   1   3.101  -0.170   0.580
    2    HA   TYR   1           HA       TYR   1   4.194  -0.573  -1.487
    3    HB2  TYR   1          2HB       TYR   1   1.509  -1.665  -2.351
    4    HB3  TYR   1          3HB       TYR   1   2.937  -1.560  -3.375
    5    HD1  TYR   1           HD1      TYR   1   4.997  -2.887  -2.695
    6    HD2  TYR   1           HD2      TYR   1   1.168  -3.519  -0.951
    7    HE1  TYR   1           HE1      TYR   1   5.726  -5.103  -1.913
    8    HE2  TYR   1           HE2      TYR   1   1.886  -5.735  -0.163
    9    HH   TYR   1           HH       TYR   1   3.875  -6.965   0.314
   10    H    TYR   2           H        TYR   2   4.574   1.208  -2.628
   11    HA   TYR   2           HA       TYR   2   2.421   3.179  -2.890
   12    HB2  TYR   2          2HB       TYR   2   4.742   4.417  -3.729
   13    HB3  TYR   2          3HB       TYR   2   4.047   4.521  -2.115
   14    HD1  TYR   2           HD1      TYR   2   5.211   3.686  -0.257
   15    HD2  TYR   2           HD2      TYR   2   6.473   2.602  -4.173
   16    HE1  TYR   2           HE1      TYR   2   7.236   2.657   0.687
   17    HE2  TYR   2           HE2      TYR   2   8.500   1.569  -3.240
   18    HH   TYR   2           HH       TYR   2   9.558   0.948  -1.371
   19    H    HIS   3           H        HIS   3   4.805   1.392  -4.767
   20    HA   HIS   3           HA       HIS   3   4.569   2.592  -7.236
   21    HB2  HIS   3          2HB       HIS   3   5.460   0.626  -8.170
   22    HB3  HIS   3          3HB       HIS   3   6.067   0.633  -6.517
   23    HD1  HIS   3           HD1      HIS   3   3.809  -0.615  -4.974
   24    HD2  HIS   3           HD2      HIS   3   4.999  -1.981  -8.713
   25    HE1  HIS   3           HE1      HIS   3   3.024  -3.001  -5.099
   26    H    PHE   4           H        PHE   4   2.239   0.717  -5.525
   27    HA   PHE   4           HA       PHE   4   0.654  -0.233  -7.620
   28    HB2  PHE   4          2HB       PHE   4   0.480  -0.718  -5.099
   29    HB3  PHE   4          3HB       PHE   4  -0.487   0.751  -5.013
   30    HD1  PHE   4           HD1      PHE   4  -0.344  -2.691  -6.248
   31    HD2  PHE   4           HD2      PHE   4  -2.708   0.834  -5.930
   32    HE1  PHE   4           HE1      PHE   4  -2.340  -3.976  -6.893
   33    HE2  PHE   4           HE2      PHE   4  -4.709  -0.446  -6.573
   34    HZ   PHE   4           HZ       PHE   4  -4.526  -2.855  -7.055
   35    H    TRP   5           H        TRP   5   1.238   2.953  -6.608
   36    HA   TRP   5           HA       TRP   5  -1.226   4.164  -7.287
   37    HB2  TRP   5          2HB       TRP   5  -0.097   6.239  -7.093
   38    HB3  TRP   5          3HB       TRP   5   0.670   5.173  -5.919
   39    HD1  TRP   5           HD1      TRP   5   2.777   3.687  -7.642
   40    HE1  TRP   5           HE1      TRP   5   4.758   4.948  -8.697
   41    HE3  TRP   5           HE3      TRP   5   0.832   8.415  -7.627
   42    HZ2  TRP   5           HZ2      TRP   5   5.410   7.596  -9.426
   43    HZ3  TRP   5           HZ3      TRP   5   2.199  10.256  -8.520
   44    HH2  TRP   5           HH2      TRP   5   4.441   9.853  -9.400
   45    H    HIS   6           H        HIS   6   1.640   3.334  -9.140
   46    HA   HIS   6           HA       HIS   6   0.327   4.366 -11.566
   47    HB2  HIS   6          2HB       HIS   6   2.626   5.266 -10.884
   48    HB3  HIS   6          3HB       HIS   6   3.253   3.681 -11.329
   49    HD1  HIS   6           HD1      HIS   6   0.729   5.863 -13.157
   50    HD2  HIS   6           HD2      HIS   6   4.457   4.115 -13.715
   51    HE1  HIS   6           HE1      HIS   6   1.350   6.352 -15.544
   52    H    ARG   7           H        ARG   7   2.037   1.617 -10.168
   53    HA   ARG   7           HA       ARG   7   1.891  -0.012 -12.500
   54    HB2  ARG   7          2HB       ARG   7   2.221  -0.886  -9.625
   55    HB3  ARG   7          3HB       ARG   7   2.622  -1.822 -11.059
   56    HG2  ARG   7          2HG       ARG   7   3.978   0.711 -11.108
   57    HG3  ARG   7          3HG       ARG   7   4.302  -0.142  -9.597
   58    HD2  ARG   7          2HD       ARG   7   5.543  -1.704 -10.616
   59    HD3  ARG   7          3HD       ARG   7   4.408  -1.859 -11.956
   60    HE   ARG   7           HE       ARG   7   5.643   0.521 -12.411
   61   HH11  ARG   7          1HH1      ARG   7   6.748  -2.737 -11.881
   62   HH12  ARG   7          2HH1      ARG   7   8.172  -2.550 -12.850
   63   HH21  ARG   7          1HH2      ARG   7   7.514   0.780 -13.689
   64   HH22  ARG   7          2HH2      ARG   7   8.608  -0.549 -13.877
   65    H    GLY   8           H        GLY   8   0.248  -0.434  -9.355
   66    HA2  GLY   8          2HA       GLY   8  -1.629  -2.300 -10.239
   67    HA3  GLY   8          3HA       GLY   8  -1.830  -1.259  -8.838
   68    H    VAL   9           H        VAL   9  -1.507   1.091 -10.785
   69    HA   VAL   9           HA       VAL   9  -4.348   1.270 -11.412
   70    HB   VAL   9           HB       VAL   9  -2.210   3.391 -11.650
   71   HG11  VAL   9          1HG1      VAL   9  -4.996   3.279 -12.428
   72   HG12  VAL   9          2HG1      VAL   9  -4.687   4.584 -11.281
   73   HG13  VAL   9          3HG1      VAL   9  -3.773   4.497 -12.787
   74   HG21  VAL   9          1HG2      VAL   9  -2.301   2.953  -9.369
   75   HG22  VAL   9          2HG2      VAL   9  -3.462   4.266  -9.566
   76   HG23  VAL   9          3HG2      VAL   9  -4.030   2.604  -9.404
   77    H    THR  10           H        THR  10  -1.454   0.502 -12.975
   78    HA   THR  10           HA       THR  10  -1.758   1.596 -15.517
   79    HB   THR  10           HB       THR  10   0.204   0.210 -14.547
   80    HG1  THR  10           HG1      THR  10   0.796  -0.357 -16.731
   81   HG21  THR  10          1HG2      THR  10  -0.854  -2.091 -16.066
   82   HG22  THR  10          2HG2      THR  10  -1.583  -1.809 -14.485
   83   HG23  THR  10          3HG2      THR  10   0.158  -2.053 -14.622
   84    H    LYS  11           H        LYS  11  -3.663  -0.731 -13.934
   85    HA   LYS  11           HA       LYS  11  -4.539  -2.423 -15.921
   86    HB2  LYS  11          2HB       LYS  11  -5.867  -3.100 -14.262
   87    HB3  LYS  11          3HB       LYS  11  -5.387  -1.691 -13.326
   88    HG2  LYS  11          2HG       LYS  11  -7.217  -0.409 -14.290
   89    HG3  LYS  11          3HG       LYS  11  -7.689  -1.803 -15.265
   90    HD2  LYS  11          2HD       LYS  11  -8.284  -3.055 -13.328
   91    HD3  LYS  11          3HD       LYS  11  -7.557  -1.857 -12.255
   92    HE2  LYS  11          2HE       LYS  11  -9.247  -0.212 -13.218
   93    HE3  LYS  11          3HE       LYS  11 -10.062  -1.618 -13.901
   94    HZ1  LYS  11          1HZ       LYS  11  -9.485  -2.034 -11.158
   95    HZ2  LYS  11          2HZ       LYS  11 -10.980  -2.055 -11.948
   96    HZ3  LYS  11          3HZ       LYS  11 -10.357  -0.598 -11.356
   97    H    ARG  12           H        ARG  12  -5.584   0.887 -15.246
   98    HA   ARG  12           HA       ARG  12  -7.518   0.852 -17.395
   99    HB2  ARG  12          2HB       ARG  12  -7.671   3.341 -16.794
  100    HB3  ARG  12          3HB       ARG  12  -8.194   2.178 -15.583
  101    HG2  ARG  12          2HG       ARG  12  -6.571   2.752 -14.143
  102    HG3  ARG  12          3HG       ARG  12  -5.368   2.954 -15.418
  103    HD2  ARG  12          2HD       ARG  12  -6.017   5.050 -14.170
  104    HD3  ARG  12          3HD       ARG  12  -6.133   5.131 -15.927
  105    HE   ARG  12           HE       ARG  12  -8.592   4.390 -14.635
  106   HH11  ARG  12          1HH1      ARG  12  -6.589   7.037 -15.684
  107   HH12  ARG  12          2HH1      ARG  12  -7.904   8.160 -15.791
  108   HH21  ARG  12          1HH2      ARG  12 -10.331   5.859 -14.773
  109   HH22  ARG  12          2HH2      ARG  12 -10.032   7.489 -15.272
  110    H    SER  13           H        SER  13  -4.200   1.623 -16.981
  111    HA   SER  13           HA       SER  13  -4.042   3.377 -19.273
  112    HB2  SER  13          2HB       SER  13  -2.338   2.670 -17.062
  113    HB3  SER  13          3HB       SER  13  -1.455   2.486 -18.577
  114    HG   SER  13           HG       SER  13  -2.992   4.794 -18.104
  115    H    LEU  14           H        LEU  14  -3.948   0.016 -18.681
  116    HA   LEU  14           HA       LEU  14  -2.588  -0.529 -21.219
  117    HB2  LEU  14          2HB       LEU  14  -2.487  -2.839 -20.476
  118    HB3  LEU  14          3HB       LEU  14  -1.793  -1.754 -19.274
  119    HG   LEU  14           HG       LEU  14  -4.255  -1.946 -18.268
  120   HD11  LEU  14          1HD1      LEU  14  -4.670  -3.580 -20.298
  121   HD12  LEU  14          2HD1      LEU  14  -5.386  -3.875 -18.714
  122   HD13  LEU  14          3HD1      LEU  14  -3.933  -4.748 -19.200
  123   HD21  LEU  14          1HD2      LEU  14  -2.681  -2.503 -16.747
  124   HD22  LEU  14          2HD2      LEU  14  -1.756  -3.473 -17.893
  125   HD23  LEU  14          3HD2      LEU  14  -3.202  -4.142 -17.135
  126    H    SER  15           H        SER  15  -5.677  -0.768 -19.617
  127    HA   SER  15           HA       SER  15  -7.195  -2.526 -20.868
  128    HB2  SER  15          2HB       SER  15  -8.719  -1.241 -19.834
  129    HB3  SER  15          3HB       SER  15  -7.670   0.174 -19.918
  130    HG   SER  15           HG       SER  15  -9.367   0.718 -21.156
  131    HA   PRO  16           HA       PRO  16  -7.551  -0.042 -25.001
  132    HB2  PRO  16          2HB       PRO  16  -5.856   2.051 -25.339
  133    HB3  PRO  16          3HB       PRO  16  -7.455   2.218 -24.604
  134    HG2  PRO  16          2HG       PRO  16  -4.776   2.005 -23.284
  135    HG3  PRO  16          3HG       PRO  16  -6.132   3.081 -22.897
  136    HD2  PRO  16          2HD       PRO  16  -5.617   0.823 -21.493
  137    HD3  PRO  16          3HD       PRO  16  -7.263   1.444 -21.734
  138    H    HIS  17           H        HIS  17  -6.042  -2.228 -24.562
  139    HA   HIS  17           HA       HIS  17  -3.843  -1.876 -26.470
  140    HB2  HIS  17          2HB       HIS  17  -2.300  -3.126 -25.182
  141    HB3  HIS  17          3HB       HIS  17  -3.010  -1.968 -24.062
  142    HD1  HIS  17           HD1      HIS  17  -1.700  -4.763 -23.288
  143    HD2  HIS  17           HD2      HIS  17  -5.761  -3.942 -23.585
  144    HE1  HIS  17           HE1      HIS  17  -2.839  -6.477 -21.844
  145    H    ARG  18           H        ARG  18  -2.942  -4.468 -26.570
  146    HA   ARG  18           HA       ARG  18  -4.603  -5.708 -28.354
  147    HB2  ARG  18          2HB       ARG  18  -2.420  -6.683 -26.573
  148    HB3  ARG  18          3HB       ARG  18  -3.398  -7.880 -27.411
  149    HG2  ARG  18          2HG       ARG  18  -2.870  -6.622 -29.542
  150    HG3  ARG  18          3HG       ARG  18  -1.667  -5.737 -28.601
  151    HD2  ARG  18          2HD       ARG  18  -0.294  -7.400 -29.238
  152    HD3  ARG  18          3HD       ARG  18  -1.066  -8.288 -27.925
  153    HE   ARG  18           HE       ARG  18  -2.660  -8.752 -30.090
  154   HH11  ARG  18          1HH1      ARG  18   0.725  -9.173 -29.391
  155   HH12  ARG  18          2HH1      ARG  18   0.907 -10.535 -30.445
  156   HH21  ARG  18          1HH2      ARG  18  -2.433 -10.545 -31.481
  157   HH22  ARG  18          2HH2      ARG  18  -0.889 -11.315 -31.635
  158    HA   PRO  19           HA       PRO  19  -7.930  -6.815 -25.517
  159    HB2  PRO  19          2HB       PRO  19  -9.705  -7.405 -27.485
  160    HB3  PRO  19          3HB       PRO  19  -9.366  -5.751 -26.962
  161    HG2  PRO  19          2HG       PRO  19  -8.302  -7.246 -29.327
  162    HG3  PRO  19          3HG       PRO  19  -8.872  -5.570 -29.227
  163    HD2  PRO  19          2HD       PRO  19  -6.243  -6.219 -29.204
  164    HD3  PRO  19          3HD       PRO  19  -6.888  -4.817 -28.327
  165    H    ARG  20           H        ARG  20  -5.989  -8.639 -27.512
  166    HA   ARG  20           HA       ARG  20  -7.371 -11.069 -27.745
  167    HB2  ARG  20          2HB       ARG  20  -5.493 -11.061 -29.061
  168    HB3  ARG  20          3HB       ARG  20  -4.520 -10.229 -27.855
  169    HG2  ARG  20          2HG       ARG  20  -3.767 -12.527 -28.242
  170    HG3  ARG  20          3HG       ARG  20  -4.296 -12.269 -26.578
  171    HD2  ARG  20          2HD       ARG  20  -6.532 -13.101 -28.140
  172    HD3  ARG  20          3HD       ARG  20  -5.194 -14.212 -28.428
  173    HE   ARG  20           HE       ARG  20  -5.440 -13.759 -25.666
  174   HH11  ARG  20          1HH1      ARG  20  -7.105 -15.326 -28.291
  175   HH12  ARG  20          2HH1      ARG  20  -7.839 -16.527 -27.281
  176   HH21  ARG  20          1HH2      ARG  20  -6.400 -15.335 -24.326
  177   HH22  ARG  20          2HH2      ARG  20  -7.438 -16.531 -25.026
  178    H    HIS  21           H        HIS  21  -4.711 -10.371 -25.469
  179    HA   HIS  21           HA       HIS  21  -5.666 -12.482 -23.713
  180    HB2  HIS  21          2HB       HIS  21  -3.601 -12.112 -22.466
  181    HB3  HIS  21          3HB       HIS  21  -3.253 -12.282 -24.184
  182    HD1  HIS  21           HD1      HIS  21  -1.292 -10.861 -22.258
  183    HD2  HIS  21           HD2      HIS  21  -4.153  -8.921 -24.562
  184    HE1  HIS  21           HE1      HIS  21  -0.461  -8.502 -22.516
  185    H    SER  22           H        SER  22  -6.074  -9.151 -24.072
  186    HA   SER  22           HA       SER  22  -6.143  -8.102 -21.538
  187    HB2  SER  22          2HB       SER  22  -6.812  -7.128 -23.941
  188    HB3  SER  22          3HB       SER  22  -8.434  -7.409 -23.308
  189    HG   SER  22           HG       SER  22  -7.777  -5.345 -22.737
  190    H    ARG  23           H        ARG  23  -8.250 -10.463 -22.929
  191    HA   ARG  23           HA       ARG  23 -10.476 -10.153 -21.225
  192    HB2  ARG  23          2HB       ARG  23  -9.429 -12.542 -22.745
  193    HB3  ARG  23          3HB       ARG  23 -10.946 -12.555 -21.855
  194    HG2  ARG  23          2HG       ARG  23 -11.828 -10.800 -23.268
  195    HG3  ARG  23          3HG       ARG  23 -10.289 -10.688 -24.124
  196    HD2  ARG  23          2HD       ARG  23 -10.701 -13.253 -24.527
  197    HD3  ARG  23          3HD       ARG  23 -12.382 -12.807 -24.237
  198    HE   ARG  23           HE       ARG  23 -11.050 -11.135 -26.161
  199   HH11  ARG  23          1HH1      ARG  23 -12.844 -14.078 -25.672
  200   HH12  ARG  23          2HH1      ARG  23 -13.407 -14.161 -27.308
  201   HH21  ARG  23          1HH2      ARG  23 -11.785 -11.232 -28.318
  202   HH22  ARG  23          2HH2      ARG  23 -12.804 -12.542 -28.813
  203    H    LEU  24           H        LEU  24  -7.401 -11.755 -20.840
  204    HA   LEU  24           HA       LEU  24  -8.261 -12.958 -18.315
  205    HB2  LEU  24          2HB       LEU  24  -5.482 -13.271 -19.279
  206    HB3  LEU  24          3HB       LEU  24  -6.555 -14.442 -18.516
  207    HG   LEU  24           HG       LEU  24  -6.931 -13.548 -21.362
  208   HD11  LEU  24          1HD1      LEU  24  -5.032 -15.546 -20.229
  209   HD12  LEU  24          2HD1      LEU  24  -4.828 -14.438 -21.585
  210   HD13  LEU  24          3HD1      LEU  24  -5.822 -15.883 -21.770
  211   HD21  LEU  24          1HD2      LEU  24  -7.687 -16.222 -20.886
  212   HD22  LEU  24          2HD2      LEU  24  -8.728 -14.840 -21.224
  213   HD23  LEU  24          3HD2      LEU  24  -8.333 -15.260 -19.556
  214    H    GLN  25           H        GLN  25  -6.717 -10.193 -19.491
  215    HA   GLN  25           HA       GLN  25  -5.098  -9.764 -17.115
  216    HB2  GLN  25          2HB       GLN  25  -3.870  -8.564 -18.536
  217    HB3  GLN  25          3HB       GLN  25  -5.067  -8.809 -19.801
  218    HG2  GLN  25          2HG       GLN  25  -4.756  -6.478 -19.580
  219    HG3  GLN  25          3HG       GLN  25  -6.322  -6.857 -18.865
  220   HE21  GLN  25          1HE2      GLN  25  -6.594  -5.410 -17.309
  221   HE22  GLN  25          2HE2      GLN  25  -5.468  -5.072 -16.043
  222    H    ARG  26           H        ARG  26  -8.035  -8.525 -18.615
  223    HA   ARG  26           HA       ARG  26  -8.518  -6.311 -17.024
  224    HB2  ARG  26          2HB       ARG  26  -9.957  -7.840 -18.913
  225    HB3  ARG  26          3HB       ARG  26 -10.983  -7.711 -17.491
  226    HG2  ARG  26          2HG       ARG  26  -9.661  -5.273 -18.592
  227    HG3  ARG  26          3HG       ARG  26 -11.117  -5.914 -19.357
  228    HD2  ARG  26          2HD       ARG  26 -11.693  -5.923 -16.639
  229    HD3  ARG  26          3HD       ARG  26 -10.821  -4.413 -16.899
  230    HE   ARG  26           HE       ARG  26 -13.470  -5.018 -17.740
  231   HH11  ARG  26          1HH1      ARG  26 -10.602  -3.255 -18.627
  232   HH12  ARG  26          2HH1      ARG  26 -11.460  -2.072 -19.558
  233   HH21  ARG  26          1HH2      ARG  26 -14.610  -3.467 -18.963
  234   HH22  ARG  26          2HH2      ARG  26 -13.739  -2.193 -19.748
  Start of MODEL   19
    1    H1   TYR   1           H        TYR   1   4.035  -2.468  -2.377
    2    HA   TYR   1           HA       TYR   1   2.101  -1.163  -1.344
    3    HB2  TYR   1          2HB       TYR   1   4.982  -0.403  -0.897
    4    HB3  TYR   1          3HB       TYR   1   3.679   0.293   0.060
    5    HD1  TYR   1           HD1      TYR   1   6.020  -2.314  -0.118
    6    HD2  TYR   1           HD2      TYR   1   2.038  -1.485   1.132
    7    HE1  TYR   1           HE1      TYR   1   6.091  -4.262   1.382
    8    HE2  TYR   1           HE2      TYR   1   2.099  -3.430   2.637
    9    HH   TYR   1           HH       TYR   1   5.038  -5.200   3.235
   10    H    TYR   2           H        TYR   2   4.646   0.828  -2.860
   11    HA   TYR   2           HA       TYR   2   2.699   3.000  -3.149
   12    HB2  TYR   2          2HB       TYR   2   5.129   3.984  -4.019
   13    HB3  TYR   2          3HB       TYR   2   4.455   4.187  -2.406
   14    HD1  TYR   2           HD1      TYR   2   5.534   3.269  -0.534
   15    HD2  TYR   2           HD2      TYR   2   6.670   2.001  -4.433
   16    HE1  TYR   2           HE1      TYR   2   7.450   2.060   0.424
   17    HE2  TYR   2           HE2      TYR   2   8.588   0.787  -3.486
   18    HH   TYR   2           HH       TYR   2   9.884   1.301  -0.678
   19    H    HIS   3           H        HIS   3   4.883   0.952  -5.003
   20    HA   HIS   3           HA       HIS   3   4.754   2.127  -7.492
   21    HB2  HIS   3          2HB       HIS   3   5.442   0.068  -8.395
   22    HB3  HIS   3          3HB       HIS   3   6.055   0.042  -6.744
   23    HD1  HIS   3           HD1      HIS   3   4.814  -2.261  -8.933
   24    HD2  HIS   3           HD2      HIS   3   3.600  -1.174  -5.111
   25    HE1  HIS   3           HE1      HIS   3   3.513  -4.226  -8.057
   26    H    PHE   4           H        PHE   4   2.258   0.524  -5.739
   27    HA   PHE   4           HA       PHE   4   0.577  -0.303  -7.810
   28    HB2  PHE   4          2HB       PHE   4   0.450  -0.460  -5.122
   29    HB3  PHE   4          3HB       PHE   4  -0.709   0.836  -5.394
   30    HD1  PHE   4           HD1      PHE   4  -2.904   0.282  -5.788
   31    HD2  PHE   4           HD2      PHE   4   0.137  -2.563  -6.671
   32    HE1  PHE   4           HE1      PHE   4  -4.628  -1.379  -6.357
   33    HE2  PHE   4           HE2      PHE   4  -1.582  -4.228  -7.241
   34    HZ   PHE   4           HZ       PHE   4  -3.968  -3.637  -7.086
   35    H    TRP   5           H        TRP   5   1.479   2.827  -6.859
   36    HA   TRP   5           HA       TRP   5  -0.858   4.264  -7.551
   37    HB2  TRP   5          2HB       TRP   5   0.473   6.221  -7.401
   38    HB3  TRP   5          3HB       TRP   5   1.136   5.105  -6.210
   39    HD1  TRP   5           HD1      TRP   5   3.076   3.386  -7.912
   40    HE1  TRP   5           HE1      TRP   5   5.167   4.423  -8.996
   41    HE3  TRP   5           HE3      TRP   5   1.612   8.283  -7.979
   42    HZ2  TRP   5           HZ2      TRP   5   6.076   6.979  -9.776
   43    HZ3  TRP   5           HZ3      TRP   5   3.151   9.962  -8.910
   44    HH2  TRP   5           HH2      TRP   5   5.337   9.321  -9.789
   45    H    HIS   6           H        HIS   6   1.902   3.122  -9.400
   46    HA   HIS   6           HA       HIS   6   0.684   4.236 -11.839
   47    HB2  HIS   6          2HB       HIS   6   3.113   4.838 -11.108
   48    HB3  HIS   6          3HB       HIS   6   3.510   3.232 -11.711
   49    HD1  HIS   6           HD1      HIS   6   1.253   5.910 -13.202
   50    HD2  HIS   6           HD2      HIS   6   4.625   3.669 -14.134
   51    HE1  HIS   6           HE1      HIS   6   1.825   6.511 -15.576
   52    H    ARG   7           H        ARG   7   2.116   1.354 -10.396
   53    HA   ARG   7           HA       ARG   7   1.797  -0.293 -12.697
   54    HB2  ARG   7          2HB       ARG   7   2.052  -1.141  -9.807
   55    HB3  ARG   7          3HB       ARG   7   2.346  -2.142 -11.223
   56    HG2  ARG   7          2HG       ARG   7   3.966   0.195 -11.401
   57    HG3  ARG   7          3HG       ARG   7   4.175  -0.533  -9.808
   58    HD2  ARG   7          2HD       ARG   7   5.778  -1.594 -11.135
   59    HD3  ARG   7          3HD       ARG   7   4.446  -2.747 -11.063
   60    HE   ARG   7           HE       ARG   7   4.027  -1.203 -13.318
   61   HH11  ARG   7          1HH1      ARG   7   6.458  -3.390 -12.122
   62   HH12  ARG   7          2HH1      ARG   7   6.944  -3.919 -13.698
   63   HH21  ARG   7          1HH2      ARG   7   4.658  -1.892 -15.399
   64   HH22  ARG   7          2HH2      ARG   7   5.920  -3.066 -15.562
   65    H    GLY   8           H        GLY   8   0.135  -0.496  -9.540
   66    HA2  GLY   8          2HA       GLY   8  -1.924  -2.177 -10.387
   67    HA3  GLY   8          3HA       GLY   8  -2.012  -1.099  -9.002
   68    H    VAL   9           H        VAL   9  -1.466   1.177 -10.986
   69    HA   VAL   9           HA       VAL   9  -4.277   1.628 -11.609
   70    HB   VAL   9           HB       VAL   9  -1.941   3.524 -11.883
   71   HG11  VAL   9          1HG1      VAL   9  -4.723   3.675 -12.657
   72   HG12  VAL   9          2HG1      VAL   9  -4.294   4.954 -11.519
   73   HG13  VAL   9          3HG1      VAL   9  -3.391   4.770 -13.023
   74   HG21  VAL   9          1HG2      VAL   9  -3.100   4.545  -9.809
   75   HG22  VAL   9          2HG2      VAL   9  -3.814   2.943  -9.618
   76   HG23  VAL   9          3HG2      VAL   9  -2.061   3.136  -9.595
   77    H    THR  10           H        THR  10  -1.476   0.558 -13.166
   78    HA   THR  10           HA       THR  10  -1.744   1.644 -15.734
   79    HB   THR  10           HB       THR  10   0.167   0.188 -14.732
   80    HG1  THR  10           HG1      THR  10   0.533   0.890 -16.752
   81   HG21  THR  10          1HG2      THR  10   0.042  -2.079 -14.847
   82   HG22  THR  10          2HG2      THR  10  -1.022  -2.058 -16.254
   83   HG23  THR  10          3HG2      THR  10  -1.679  -1.755 -14.646
   84    H    LYS  11           H        LYS  11  -3.765  -0.491 -14.071
   85    HA   LYS  11           HA       LYS  11  -4.719  -2.251 -15.957
   86    HB2  LYS  11          2HB       LYS  11  -6.109  -2.736 -14.281
   87    HB3  LYS  11          3HB       LYS  11  -5.553  -1.301 -13.430
   88    HG2  LYS  11          2HG       LYS  11  -7.288   0.026 -14.504
   89    HG3  LYS  11          3HG       LYS  11  -7.835  -1.397 -15.395
   90    HD2  LYS  11          2HD       LYS  11  -8.531  -2.481 -13.392
   91    HD3  LYS  11          3HD       LYS  11  -7.742  -1.264 -12.386
   92    HE2  LYS  11          2HE       LYS  11  -9.945  -0.561 -14.303
   93    HE3  LYS  11          3HE       LYS  11 -10.280  -1.112 -12.663
   94    HZ1  LYS  11          1HZ       LYS  11  -9.671   1.460 -13.482
   95    HZ2  LYS  11          2HZ       LYS  11  -8.318   0.921 -12.622
   96    HZ3  LYS  11          3HZ       LYS  11  -9.845   0.903 -11.894
   97    H    ARG  12           H        ARG  12  -5.574   1.152 -15.516
   98    HA   ARG  12           HA       ARG  12  -7.469   1.085 -17.703
   99    HB2  ARG  12          2HB       ARG  12  -7.552   3.589 -17.253
  100    HB3  ARG  12          3HB       ARG  12  -8.086   2.538 -15.948
  101    HG2  ARG  12          2HG       ARG  12  -6.574   3.381 -14.568
  102    HG3  ARG  12          3HG       ARG  12  -5.271   3.066 -15.717
  103    HD2  ARG  12          2HD       ARG  12  -5.439   5.447 -15.150
  104    HD3  ARG  12          3HD       ARG  12  -5.743   5.153 -16.862
  105    HE   ARG  12           HE       ARG  12  -8.162   5.186 -15.368
  106   HH11  ARG  12          1HH1      ARG  12  -5.723   7.246 -16.757
  107   HH12  ARG  12          2HH1      ARG  12  -6.787   8.601 -16.942
  108   HH21  ARG  12          1HH2      ARG  12  -9.573   6.963 -15.607
  109   HH22  ARG  12          2HH2      ARG  12  -8.976   8.439 -16.287
  110    H    SER  13           H        SER  13  -4.125   1.679 -17.263
  111    HA   SER  13           HA       SER  13  -3.822   3.299 -19.641
  112    HB2  SER  13          2HB       SER  13  -2.251   3.832 -17.971
  113    HB3  SER  13          3HB       SER  13  -1.904   2.137 -17.631
  114    HG   SER  13           HG       SER  13  -0.219   2.920 -18.836
  115    H    LEU  14           H        LEU  14  -3.942  -0.021 -18.868
  116    HA   LEU  14           HA       LEU  14  -2.553  -0.787 -21.332
  117    HB2  LEU  14          2HB       LEU  14  -2.621  -3.055 -20.468
  118    HB3  LEU  14          3HB       LEU  14  -1.900  -1.953 -19.296
  119    HG   LEU  14           HG       LEU  14  -4.393  -1.938 -18.363
  120   HD11  LEU  14          1HD1      LEU  14  -4.288  -4.799 -19.095
  121   HD12  LEU  14          2HD1      LEU  14  -4.800  -3.675 -20.353
  122   HD13  LEU  14          3HD1      LEU  14  -5.674  -3.744 -18.823
  123   HD21  LEU  14          1HD2      LEU  14  -2.884  -2.531 -16.783
  124   HD22  LEU  14          2HD2      LEU  14  -2.033  -3.645 -17.852
  125   HD23  LEU  14          3HD2      LEU  14  -3.548  -4.136 -17.092
  126    H    SER  15           H        SER  15  -5.697  -0.737 -19.822
  127    HA   SER  15           HA       SER  15  -7.293  -2.459 -21.025
  128    HB2  SER  15          2HB       SER  15  -8.755  -1.018 -20.115
  129    HB3  SER  15          3HB       SER  15  -7.611   0.317 -20.244
  130    HG   SER  15           HG       SER  15  -9.119   0.955 -21.617
  131    HA   PRO  16           HA       PRO  16  -7.357  -0.203 -25.300
  132    HB2  PRO  16          2HB       PRO  16  -5.518   1.754 -25.697
  133    HB3  PRO  16          3HB       PRO  16  -7.123   2.067 -25.027
  134    HG2  PRO  16          2HG       PRO  16  -4.506   1.758 -23.608
  135    HG3  PRO  16          3HG       PRO  16  -5.798   2.940 -23.327
  136    HD2  PRO  16          2HD       PRO  16  -5.476   0.739 -21.783
  137    HD3  PRO  16          3HD       PRO  16  -7.069   1.449 -22.113
  138    H    HIS  17           H        HIS  17  -6.007  -2.451 -24.685
  139    HA   HIS  17           HA       HIS  17  -3.733  -2.352 -26.534
  140    HB2  HIS  17          2HB       HIS  17  -2.318  -3.625 -25.126
  141    HB3  HIS  17          3HB       HIS  17  -2.984  -2.360 -24.097
  142    HD1  HIS  17           HD1      HIS  17  -1.887  -5.182 -23.121
  143    HD2  HIS  17           HD2      HIS  17  -5.874  -4.123 -23.611
  144    HE1  HIS  17           HE1      HIS  17  -3.183  -6.734 -21.626
  145    H    ARG  18           H        ARG  18  -3.005  -5.001 -26.456
  146    HA   ARG  18           HA       ARG  18  -4.689  -6.230 -28.227
  147    HB2  ARG  18          2HB       ARG  18  -2.553  -7.153 -26.407
  148    HB3  ARG  18          3HB       ARG  18  -3.649  -8.403 -26.981
  149    HG2  ARG  18          2HG       ARG  18  -2.589  -8.482 -28.919
  150    HG3  ARG  18          3HG       ARG  18  -2.886  -6.762 -29.184
  151    HD2  ARG  18          2HD       ARG  18  -0.896  -6.413 -27.571
  152    HD3  ARG  18          3HD       ARG  18  -0.524  -8.101 -27.919
  153    HE   ARG  18           HE       ARG  18  -0.913  -6.534 -30.284
  154   HH11  ARG  18          1HH1      ARG  18   1.382  -7.439 -27.828
  155   HH12  ARG  18          2HH1      ARG  18   2.766  -7.141 -28.827
  156   HH21  ARG  18          1HH2      ARG  18   0.901  -6.138 -31.609
  157   HH22  ARG  18          2HH2      ARG  18   2.491  -6.400 -30.977
  158    HA   PRO  19           HA       PRO  19  -8.168  -6.956 -25.450
  159    HB2  PRO  19          2HB       PRO  19  -9.916  -7.544 -27.441
  160    HB3  PRO  19          3HB       PRO  19  -9.485  -5.888 -27.000
  161    HG2  PRO  19          2HG       PRO  19  -8.449  -7.582 -29.240
  162    HG3  PRO  19          3HG       PRO  19  -8.910  -5.870 -29.253
  163    HD2  PRO  19          2HD       PRO  19  -6.332  -6.683 -29.104
  164    HD3  PRO  19          3HD       PRO  19  -6.910  -5.195 -28.328
  165    H    ARG  20           H        ARG  20  -6.299  -9.013 -27.289
  166    HA   ARG  20           HA       ARG  20  -7.810 -11.358 -27.456
  167    HB2  ARG  20          2HB       ARG  20  -4.909 -11.576 -26.833
  168    HB3  ARG  20          3HB       ARG  20  -5.860 -12.403 -28.059
  169    HG2  ARG  20          2HG       ARG  20  -5.996 -10.099 -29.198
  170    HG3  ARG  20          3HG       ARG  20  -4.649  -9.670 -28.142
  171    HD2  ARG  20          2HD       ARG  20  -4.655 -12.070 -29.963
  172    HD3  ARG  20          3HD       ARG  20  -3.997 -10.499 -30.419
  173    HE   ARG  20           HE       ARG  20  -2.728 -11.078 -28.090
  174   HH11  ARG  20          1HH1      ARG  20  -3.149 -12.769 -31.103
  175   HH12  ARG  20          2HH1      ARG  20  -1.637 -13.608 -30.994
  176   HH21  ARG  20          1HH2      ARG  20  -0.735 -12.176 -27.934
  177   HH22  ARG  20          2HH2      ARG  20  -0.265 -13.270 -29.190
  178    H    HIS  21           H        HIS  21  -5.222 -10.775 -25.072
  179    HA   HIS  21           HA       HIS  21  -6.439 -12.697 -23.272
  180    HB2  HIS  21          2HB       HIS  21  -4.433 -12.384 -21.908
  181    HB3  HIS  21          3HB       HIS  21  -3.998 -12.689 -23.587
  182    HD1  HIS  21           HD1      HIS  21  -2.053 -11.285 -21.638
  183    HD2  HIS  21           HD2      HIS  21  -4.636  -9.303 -24.219
  184    HE1  HIS  21           HE1      HIS  21  -1.042  -9.008 -21.984
  185    H    SER  22           H        SER  22  -6.543  -9.351 -23.797
  186    HA   SER  22           HA       SER  22  -6.721  -8.196 -21.318
  187    HB2  SER  22          2HB       SER  22  -7.150  -7.298 -23.821
  188    HB3  SER  22          3HB       SER  22  -8.817  -7.372 -23.251
  189    HG   SER  22           HG       SER  22  -8.403  -5.568 -22.279
  190    H    ARG  23           H        ARG  23  -8.855 -10.490 -22.735
  191    HA   ARG  23           HA       ARG  23 -11.219  -9.932 -21.322
  192    HB2  ARG  23          2HB       ARG  23 -10.098 -12.316 -22.719
  193    HB3  ARG  23          3HB       ARG  23 -11.476 -12.555 -21.653
  194    HG2  ARG  23          2HG       ARG  23 -11.842 -10.302 -23.446
  195    HG3  ARG  23          3HG       ARG  23 -11.568 -11.820 -24.303
  196    HD2  ARG  23          2HD       ARG  23 -13.457 -11.885 -22.025
  197    HD3  ARG  23          3HD       ARG  23 -13.984 -11.027 -23.472
  198    HE   ARG  23           HE       ARG  23 -13.727 -13.854 -23.147
  199   HH11  ARG  23          1HH1      ARG  23 -13.563 -11.256 -25.459
  200   HH12  ARG  23          2HH1      ARG  23 -13.952 -12.264 -26.814
  201   HH21  ARG  23          1HH2      ARG  23 -14.239 -15.191 -24.923
  202   HH22  ARG  23          2HH2      ARG  23 -14.337 -14.501 -26.508
  203    H    LEU  24           H        LEU  24  -8.305 -11.650 -20.434
  204    HA   LEU  24           HA       LEU  24  -9.500 -12.474 -17.891
  205    HB2  LEU  24          2HB       LEU  24  -7.685 -13.949 -17.624
  206    HB3  LEU  24          3HB       LEU  24  -8.178 -14.077 -19.311
  207    HG   LEU  24           HG       LEU  24  -6.259 -12.375 -19.732
  208   HD11  LEU  24          1HD1      LEU  24  -5.809 -13.218 -16.926
  209   HD12  LEU  24          2HD1      LEU  24  -5.434 -11.693 -17.728
  210   HD13  LEU  24          3HD1      LEU  24  -4.401 -13.099 -17.981
  211   HD21  LEU  24          1HD2      LEU  24  -4.709 -14.619 -19.284
  212   HD22  LEU  24          2HD2      LEU  24  -5.621 -14.253 -20.748
  213   HD23  LEU  24          3HD2      LEU  24  -6.336 -15.267 -19.494
  214    H    GLN  25           H        GLN  25  -7.663  -9.980 -19.204
  215    HA   GLN  25           HA       GLN  25  -6.201  -9.399 -16.758
  216    HB2  GLN  25          2HB       GLN  25  -4.776  -8.510 -18.226
  217    HB3  GLN  25          3HB       GLN  25  -5.937  -8.707 -19.533
  218    HG2  GLN  25          2HG       GLN  25  -5.359  -6.415 -19.444
  219    HG3  GLN  25          3HG       GLN  25  -6.994  -6.565 -18.804
  220   HE21  GLN  25          1HE2      GLN  25  -7.127  -4.919 -17.419
  221   HE22  GLN  25          2HE2      GLN  25  -6.058  -4.649 -16.089
  222    H    ARG  26           H        ARG  26  -8.929  -8.169 -18.610
  223    HA   ARG  26           HA       ARG  26  -9.379  -5.746 -17.384
  224    HB2  ARG  26          2HB       ARG  26 -11.167  -5.793 -18.717
  225    HB3  ARG  26          3HB       ARG  26 -10.817  -7.477 -19.081
  226    HG2  ARG  26          2HG       ARG  26 -12.194  -8.178 -17.192
  227    HG3  ARG  26          3HG       ARG  26 -12.540  -6.488 -16.819
  228    HD2  ARG  26          2HD       ARG  26 -14.348  -6.785 -18.112
  229    HD3  ARG  26          3HD       ARG  26 -13.216  -6.620 -19.454
  230    HE   ARG  26           HE       ARG  26 -13.451  -8.861 -19.895
  231   HH11  ARG  26          1HH1      ARG  26 -14.834  -8.133 -16.784
  232   HH12  ARG  26          2HH1      ARG  26 -15.570  -9.691 -16.601
  233   HH21  ARG  26          1HH2      ARG  26 -14.416 -10.916 -19.666
  234   HH22  ARG  26          2HH2      ARG  26 -15.331 -11.273 -18.241
  Start of MODEL   20
    1    H1   TYR   1           H        TYR   1   3.475  -2.538  -2.344
    2    HA   TYR   1           HA       TYR   1   2.256  -0.981  -1.006
    3    HB2  TYR   1          2HB       TYR   1   5.155  -0.138  -1.180
    4    HB3  TYR   1          3HB       TYR   1   4.047   0.377   0.086
    5    HD1  TYR   1           HD1      TYR   1   2.873  -1.554   1.411
    6    HD2  TYR   1           HD2      TYR   1   6.446  -2.034  -0.848
    7    HE1  TYR   1           HE1      TYR   1   3.420  -3.566   2.715
    8    HE2  TYR   1           HE2      TYR   1   7.002  -4.048   0.449
    9    HH   TYR   1           HH       TYR   1   4.810  -5.663   2.368
   10    H    TYR   2           H        TYR   2   4.622   1.054  -2.723
   11    HA   TYR   2           HA       TYR   2   2.543   3.098  -3.021
   12    HB2  TYR   2          2HB       TYR   2   4.908   4.232  -3.886
   13    HB3  TYR   2          3HB       TYR   2   4.219   4.394  -2.275
   14    HD1  TYR   2           HD1      TYR   2   6.569   2.346  -4.295
   15    HD2  TYR   2           HD2      TYR   2   5.351   3.550  -0.400
   16    HE1  TYR   2           HE1      TYR   2   8.559   1.258  -3.343
   17    HE2  TYR   2           HE2      TYR   2   7.337   2.466   0.563
   18    HH   TYR   2           HH       TYR   2   9.626   0.679  -1.477
   19    H    HIS   3           H        HIS   3   4.856   1.187  -4.865
   20    HA   HIS   3           HA       HIS   3   4.661   2.347  -7.356
   21    HB2  HIS   3          2HB       HIS   3   5.490   0.340  -8.249
   22    HB3  HIS   3          3HB       HIS   3   6.078   0.337  -6.589
   23    HD1  HIS   3           HD1      HIS   3   3.783  -0.814  -5.048
   24    HD2  HIS   3           HD2      HIS   3   4.897  -2.238  -8.788
   25    HE1  HIS   3           HE1      HIS   3   2.894  -3.163  -5.165
   26    H    PHE   4           H        PHE   4   2.264   0.594  -5.607
   27    HA   PHE   4           HA       PHE   4   0.642  -0.337  -7.681
   28    HB2  PHE   4          2HB       PHE   4   0.520  -0.438  -4.966
   29    HB3  PHE   4          3HB       PHE   4  -0.768   0.712  -5.310
   30    HD1  PHE   4           HD1      PHE   4  -2.873  -0.142  -5.578
   31    HD2  PHE   4           HD2      PHE   4   0.474  -2.566  -6.596
   32    HE1  PHE   4           HE1      PHE   4  -4.390  -2.001  -6.123
   33    HE2  PHE   4           HE2      PHE   4  -1.037  -4.429  -7.143
   34    HZ   PHE   4           HZ       PHE   4  -3.472  -4.148  -6.907
   35    H    TRP   5           H        TRP   5   1.347   2.845  -6.734
   36    HA   TRP   5           HA       TRP   5  -1.071   4.134  -7.437
   37    HB2  TRP   5          2HB       TRP   5   0.136   6.169  -7.285
   38    HB3  TRP   5          3HB       TRP   5   0.863   5.098  -6.090
   39    HD1  TRP   5           HD1      TRP   5   2.912   3.500  -7.783
   40    HE1  TRP   5           HE1      TRP   5   4.937   4.663  -8.864
   41    HE3  TRP   5           HE3      TRP   5   1.145   8.297  -7.865
   42    HZ2  TRP   5           HZ2      TRP   5   5.687   7.269  -9.647
   43    HZ3  TRP   5           HZ3      TRP   5   2.579  10.066  -8.797
   44    HH2  TRP   5           HH2      TRP   5   4.803   9.561  -9.668
   45    H    HIS   6           H        HIS   6   1.761   3.162  -9.274
   46    HA   HIS   6           HA       HIS   6   0.484   4.192 -11.719
   47    HB2  HIS   6          2HB       HIS   6   3.018   4.694 -10.819
   48    HB3  HIS   6          3HB       HIS   6   3.293   3.335 -11.906
   49    HD1  HIS   6           HD1      HIS   6   1.926   6.854 -11.910
   50    HD2  HIS   6           HD2      HIS   6   3.210   3.944 -14.583
   51    HE1  HIS   6           HE1      HIS   6   2.021   7.994 -14.150
   52    H    ARG   7           H        ARG   7   2.089   1.410 -10.264
   53    HA   ARG   7           HA       ARG   7   1.884  -0.260 -12.563
   54    HB2  ARG   7          2HB       ARG   7   2.177  -1.087  -9.670
   55    HB3  ARG   7          3HB       ARG   7   2.545  -2.066 -11.084
   56    HG2  ARG   7          2HG       ARG   7   4.008   0.377 -11.243
   57    HG3  ARG   7          3HG       ARG   7   4.259  -0.351  -9.655
   58    HD2  ARG   7          2HD       ARG   7   4.692  -2.528 -10.913
   59    HD3  ARG   7          3HD       ARG   7   4.803  -1.532 -12.363
   60    HE   ARG   7           HE       ARG   7   6.751  -1.763 -10.268
   61   HH11  ARG   7          1HH1      ARG   7   5.509   0.283 -12.796
   62   HH12  ARG   7          2HH1      ARG   7   6.988   1.165 -12.988
   63   HH21  ARG   7          1HH2      ARG   7   8.704  -0.610 -10.511
   64   HH22  ARG   7          2HH2      ARG   7   8.805   0.655 -11.689
   65    H    GLY   8           H        GLY   8   0.223  -0.558  -9.413
   66    HA2  GLY   8          2HA       GLY   8  -1.722  -2.367 -10.266
   67    HA3  GLY   8          3HA       GLY   8  -1.884  -1.295  -8.882
   68    H    VAL   9           H        VAL   9  -1.473   1.009 -10.866
   69    HA   VAL   9           HA       VAL   9  -4.304   1.283 -11.501
   70    HB   VAL   9           HB       VAL   9  -2.088   3.319 -11.768
   71   HG11  VAL   9          1HG1      VAL   9  -4.519   4.609 -11.423
   72   HG12  VAL   9          2HG1      VAL   9  -3.608   4.463 -12.928
   73   HG13  VAL   9          3HG1      VAL   9  -4.877   3.298 -12.548
   74   HG21  VAL   9          1HG2      VAL   9  -3.933   2.627  -9.514
   75   HG22  VAL   9          2HG2      VAL   9  -2.196   2.930  -9.480
   76   HG23  VAL   9          3HG2      VAL   9  -3.320   4.270  -9.702
   77    H    THR  10           H        THR  10  -1.439   0.381 -13.046
   78    HA   THR  10           HA       THR  10  -1.681   1.446 -15.602
   79    HB   THR  10           HB       THR  10   0.198  -0.033 -14.607
   80    HG1  THR  10           HG1      THR  10  -0.746  -0.023 -17.269
   81   HG21  THR  10          1HG2      THR  10  -1.021  -2.285 -16.096
   82   HG22  THR  10          2HG2      THR  10  -1.673  -1.950 -14.491
   83   HG23  THR  10          3HG2      THR  10   0.044  -2.300 -14.691
   84    H    LYS  11           H        LYS  11  -3.701  -0.779 -14.000
   85    HA   LYS  11           HA       LYS  11  -4.664  -2.423 -15.992
   86    HB2  LYS  11          2HB       LYS  11  -5.998  -3.055 -14.321
   87    HB3  LYS  11          3HB       LYS  11  -5.459  -1.668 -13.384
   88    HG2  LYS  11          2HG       LYS  11  -7.245  -0.314 -14.328
   89    HG3  LYS  11          3HG       LYS  11  -7.775  -1.682 -15.309
   90    HD2  LYS  11          2HD       LYS  11  -8.407  -2.924 -13.377
   91    HD3  LYS  11          3HD       LYS  11  -7.630  -1.760 -12.301
   92    HE2  LYS  11          2HE       LYS  11  -9.564  -0.463 -14.002
   93    HE3  LYS  11          3HE       LYS  11 -10.302  -1.797 -13.116
   94    HZ1  LYS  11          1HZ       LYS  11  -8.809  -0.563 -11.229
   95    HZ2  LYS  11          2HZ       LYS  11 -10.469  -0.335 -11.460
   96    HZ3  LYS  11          3HZ       LYS  11  -9.363   0.742 -12.152
   97    H    ARG  12           H        ARG  12  -5.560   0.922 -15.279
   98    HA   ARG  12           HA       ARG  12  -7.513   0.992 -17.409
   99    HB2  ARG  12          2HB       ARG  12  -7.924   3.260 -16.737
  100    HB3  ARG  12          3HB       ARG  12  -7.782   2.278 -15.285
  101    HG2  ARG  12          2HG       ARG  12  -6.509   4.054 -14.668
  102    HG3  ARG  12          3HG       ARG  12  -5.265   3.058 -15.427
  103    HD2  ARG  12          2HD       ARG  12  -4.866   4.629 -16.947
  104    HD3  ARG  12          3HD       ARG  12  -6.567   4.670 -17.408
  105    HE   ARG  12           HE       ARG  12  -5.190   6.515 -15.682
  106   HH11  ARG  12          1HH1      ARG  12  -8.275   5.174 -16.578
  107   HH12  ARG  12          2HH1      ARG  12  -9.180   6.536 -16.005
  108   HH21  ARG  12          1HH2      ARG  12  -6.370   8.314 -14.925
  109   HH22  ARG  12          2HH2      ARG  12  -8.095   8.322 -15.066
  110    H    SER  13           H        SER  13  -4.159   1.533 -17.064
  111    HA   SER  13           HA       SER  13  -3.948   3.310 -19.345
  112    HB2  SER  13          2HB       SER  13  -2.335   3.785 -17.703
  113    HB3  SER  13          3HB       SER  13  -1.961   2.080 -17.448
  114    HG   SER  13           HG       SER  13  -0.469   2.291 -18.895
  115    H    LEU  14           H        LEU  14  -3.993  -0.048 -18.743
  116    HA   LEU  14           HA       LEU  14  -2.674  -0.660 -21.287
  117    HB2  LEU  14          2HB       LEU  14  -2.639  -2.958 -20.542
  118    HB3  LEU  14          3HB       LEU  14  -1.941  -1.904 -19.314
  119    HG   LEU  14           HG       LEU  14  -4.416  -2.033 -18.349
  120   HD11  LEU  14          1HD1      LEU  14  -5.642  -3.858 -18.894
  121   HD12  LEU  14          2HD1      LEU  14  -4.226  -4.835 -19.281
  122   HD13  LEU  14          3HD1      LEU  14  -4.815  -3.641 -20.437
  123   HD21  LEU  14          1HD2      LEU  14  -3.508  -4.252 -17.203
  124   HD22  LEU  14          2HD2      LEU  14  -2.827  -2.664 -16.850
  125   HD23  LEU  14          3HD2      LEU  14  -2.016  -3.738 -17.990
  126    H    SER  15           H        SER  15  -5.763  -0.730 -19.679
  127    HA   SER  15           HA       SER  15  -7.377  -2.423 -20.892
  128    HB2  SER  15          2HB       SER  15  -8.651   0.093 -21.354
  129    HB3  SER  15          3HB       SER  15  -8.940  -1.059 -20.050
  130    HG   SER  15           HG       SER  15  -8.227   1.150 -19.459
  131    HA   PRO  16           HA       PRO  16  -7.617  -0.038 -25.087
  132    HB2  PRO  16          2HB       PRO  16  -5.850   1.988 -25.471
  133    HB3  PRO  16          3HB       PRO  16  -7.444   2.227 -24.745
  134    HG2  PRO  16          2HG       PRO  16  -4.778   1.956 -23.412
  135    HG3  PRO  16          3HG       PRO  16  -6.097   3.087 -23.056
  136    HD2  PRO  16          2HD       PRO  16  -5.662   0.849 -21.595
  137    HD3  PRO  16          3HD       PRO  16  -7.285   1.518 -21.856
  138    H    HIS  17           H        HIS  17  -6.198  -2.265 -24.611
  139    HA   HIS  17           HA       HIS  17  -3.964  -2.026 -26.497
  140    HB2  HIS  17          2HB       HIS  17  -2.501  -3.345 -25.178
  141    HB3  HIS  17          3HB       HIS  17  -3.160  -2.132 -24.085
  142    HD1  HIS  17           HD1      HIS  17  -2.000  -4.910 -23.167
  143    HD2  HIS  17           HD2      HIS  17  -6.024  -4.017 -23.689
  144    HE1  HIS  17           HE1      HIS  17  -3.246  -6.554 -21.729
  145    H    ARG  18           H        ARG  18  -3.176  -4.645 -26.588
  146    HA   ARG  18           HA       ARG  18  -4.880  -5.825 -28.373
  147    HB2  ARG  18          2HB       ARG  18  -2.733  -6.872 -26.591
  148    HB3  ARG  18          3HB       ARG  18  -3.757  -8.039 -27.417
  149    HG2  ARG  18          2HG       ARG  18  -3.139  -6.430 -29.478
  150    HG3  ARG  18          3HG       ARG  18  -1.692  -6.235 -28.487
  151    HD2  ARG  18          2HD       ARG  18  -2.816  -8.943 -29.130
  152    HD3  ARG  18          3HD       ARG  18  -1.710  -8.116 -30.226
  153    HE   ARG  18           HE       ARG  18  -0.587  -8.136 -27.658
  154   HH11  ARG  18          1HH1      ARG  18  -1.387 -10.332 -30.238
  155   HH12  ARG  18          2HH1      ARG  18  -0.130 -11.457 -29.845
  156   HH21  ARG  18          1HH2      ARG  18   1.071  -9.610 -27.130
  157   HH22  ARG  18          2HH2      ARG  18   1.267 -11.046 -28.077
  158    HA   PRO  19           HA       PRO  19  -8.249  -6.801 -25.537
  159    HB2  PRO  19          2HB       PRO  19 -10.041  -7.333 -27.506
  160    HB3  PRO  19          3HB       PRO  19  -9.643  -5.691 -26.988
  161    HG2  PRO  19          2HG       PRO  19  -8.631  -7.232 -29.347
  162    HG3  PRO  19          3HG       PRO  19  -9.139  -5.536 -29.253
  163    HD2  PRO  19          2HD       PRO  19  -6.536  -6.280 -29.224
  164    HD3  PRO  19          3HD       PRO  19  -7.130  -4.852 -28.352
  165    H    ARG  20           H        ARG  20  -6.361  -8.702 -27.501
  166    HA   ARG  20           HA       ARG  20  -7.826 -11.081 -27.750
  167    HB2  ARG  20          2HB       ARG  20  -5.945 -11.228 -29.021
  168    HB3  ARG  20          3HB       ARG  20  -4.974 -10.307 -27.880
  169    HG2  ARG  20          2HG       ARG  20  -4.418 -12.162 -26.643
  170    HG3  ARG  20          3HG       ARG  20  -5.841 -13.067 -27.165
  171    HD2  ARG  20          2HD       ARG  20  -3.840 -12.295 -29.222
  172    HD3  ARG  20          3HD       ARG  20  -3.419 -13.592 -28.104
  173    HE   ARG  20           HE       ARG  20  -5.998 -13.991 -29.230
  174   HH11  ARG  20          1HH1      ARG  20  -2.596 -14.257 -29.917
  175   HH12  ARG  20          2HH1      ARG  20  -2.798 -15.517 -31.089
  176   HH21  ARG  20          1HH2      ARG  20  -6.278 -15.649 -30.772
  177   HH22  ARG  20          2HH2      ARG  20  -4.893 -16.307 -31.575
  178    H    HIS  21           H        HIS  21  -5.181 -10.479 -25.431
  179    HA   HIS  21           HA       HIS  21  -6.233 -12.552 -23.690
  180    HB2  HIS  21          2HB       HIS  21  -4.188 -12.228 -22.395
  181    HB3  HIS  21          3HB       HIS  21  -3.807 -12.415 -24.104
  182    HD1  HIS  21           HD1      HIS  21  -1.822 -11.053 -22.195
  183    HD2  HIS  21           HD2      HIS  21  -4.645  -9.016 -24.462
  184    HE1  HIS  21           HE1      HIS  21  -0.933  -8.712 -22.430
  185    H    SER  22           H        SER  22  -6.518  -9.200 -24.051
  186    HA   SER  22           HA       SER  22  -6.635  -8.170 -21.510
  187    HB2  SER  22          2HB       SER  22  -7.186  -7.159 -23.934
  188    HB3  SER  22          3HB       SER  22  -8.834  -7.362 -23.341
  189    HG   SER  22           HG       SER  22  -7.678  -5.301 -22.867
  190    H    ARG  23           H        ARG  23  -8.717 -10.496 -22.947
  191    HA   ARG  23           HA       ARG  23 -11.042 -10.106 -21.410
  192    HB2  ARG  23          2HB       ARG  23  -9.901 -12.546 -22.767
  193    HB3  ARG  23          3HB       ARG  23 -11.451 -12.561 -21.937
  194    HG2  ARG  23          2HG       ARG  23 -12.351 -10.942 -23.453
  195    HG3  ARG  23          3HG       ARG  23 -10.771 -10.702 -24.203
  196    HD2  ARG  23          2HD       ARG  23 -10.809 -13.100 -24.884
  197    HD3  ARG  23          3HD       ARG  23 -12.459 -13.199 -24.270
  198    HE   ARG  23           HE       ARG  23 -11.601 -12.015 -26.738
  199   HH11  ARG  23          1HH1      ARG  23 -14.048 -11.979 -24.262
  200   HH12  ARG  23          2HH1      ARG  23 -15.273 -11.329 -25.300
  201   HH21  ARG  23          1HH2      ARG  23 -13.205 -11.159 -28.114
  202   HH22  ARG  23          2HH2      ARG  23 -14.793 -10.863 -27.491
  203    H    LEU  24           H        LEU  24  -8.027 -11.750 -20.751
  204    HA   LEU  24           HA       LEU  24  -9.071 -12.754 -18.205
  205    HB2  LEU  24          2HB       LEU  24  -7.194 -14.175 -18.103
  206    HB3  LEU  24          3HB       LEU  24  -7.779 -14.240 -19.764
  207    HG   LEU  24           HG       LEU  24  -5.940 -12.454 -20.205
  208   HD11  LEU  24          1HD1      LEU  24  -5.032 -11.850 -18.209
  209   HD12  LEU  24          2HD1      LEU  24  -3.961 -13.192 -18.608
  210   HD13  LEU  24          3HD1      LEU  24  -5.295 -13.434 -17.480
  211   HD21  LEU  24          1HD2      LEU  24  -5.481 -15.387 -19.736
  212   HD22  LEU  24          2HD2      LEU  24  -4.250 -14.335 -20.434
  213   HD23  LEU  24          3HD2      LEU  24  -5.794 -14.554 -21.259
  214    H    GLN  25           H        GLN  25  -7.373 -10.136 -19.467
  215    HA   GLN  25           HA       GLN  25  -5.817  -9.638 -17.060
  216    HB2  GLN  25          2HB       GLN  25  -4.481  -8.629 -18.535
  217    HB3  GLN  25          3HB       GLN  25  -5.685  -8.809 -19.804
  218    HG2  GLN  25          2HG       GLN  25  -5.186  -6.506 -19.640
  219    HG3  GLN  25          3HG       GLN  25  -6.785  -6.738 -18.933
  220   HE21  GLN  25          1HE2      GLN  25  -6.908  -5.161 -17.471
  221   HE22  GLN  25          2HE2      GLN  25  -5.787  -4.910 -16.181
  222    H    ARG  26           H        ARG  26  -8.659  -8.404 -18.726
  223    HA   ARG  26           HA       ARG  26  -9.121  -6.054 -17.369
  224    HB2  ARG  26          2HB       ARG  26 -10.972  -6.098 -18.612
  225    HB3  ARG  26          3HB       ARG  26 -10.587  -7.750 -19.075
  226    HG2  ARG  26          2HG       ARG  26 -11.844  -8.583 -17.152
  227    HG3  ARG  26          3HG       ARG  26 -12.233  -6.924 -16.693
  228    HD2  ARG  26          2HD       ARG  26 -12.981  -8.203 -19.319
  229    HD3  ARG  26          3HD       ARG  26 -14.055  -8.068 -17.928
  230    HE   ARG  26           HE       ARG  26 -13.258  -5.512 -18.379
  231   HH11  ARG  26          1HH1      ARG  26 -14.694  -7.989 -20.360
  232   HH12  ARG  26          2HH1      ARG  26 -15.533  -6.869 -21.382
  233   HH21  ARG  26          1HH2      ARG  26 -14.357  -4.027 -19.717
  234   HH22  ARG  26          2HH2      ARG  26 -15.339  -4.615 -21.016