*HEADER    ANTIMICROBIAL PROTEIN                   25-JAN-07   2JNI              
*TITLE     SPATIAL STRUCTURE OF ANTIMICROBIAL PEPTIDE ARENICIN-2 IN              
*TITLE    2 AQUEOUS SOLUTION                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ARENICIN-2;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ARENICOLA MARINA;                               
*SOURCE   3 ORGANISM_COMMON: LUGWORM;                                            
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL-21 (DE3);                               
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET                                        
*KEYWDS    PEPTIDE, ANTIMICROBIAL, BETA-SHEET, ANTIMICROBIAL PROTEIN             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    T.V.OVCHINNIKOVA, Z.O.SHENKAREV, K.D.NADEZHDIN,                       
*AUTHOR   2 S.V.BALANDIN, M.N.ZHMAK, I.A.KUDELINA, E.I.FINKINA,                  
*AUTHOR   3 V.N.KOKRYAKOV, A.S.ARSENIEV                                          
*REVDAT   1   07-AUG-07 2JNI    0                                                


 15 VAL  HN     15 VAL  HB      2.87            #peak     3
 11 ARG  HN     11 ARG  HA      2.40            #peak     4
 11 ARG  HN     11 ARG  QG      3.10            #peak     8
 17 TYR  HN     17 TYR  QB      3.43            #peak     9
  8 VAL  HN      8 VAL  HB      3.85            #peak    10
  8 VAL  HN      8 VAL  QQG     2.99            #peak    11
 21 TRP  HN     21 TRP  HB3     3.83            #peak    18
  2 TRP  HN      2 TRP  HB3     3.43            #peak    20
  6 ALA  HN      6 ALA  QB      3.12            #peak    21
 12 GLY  HN     12 GLY  HA1     2.84            #peak    23
 12 GLY  HN     12 GLY  HA2     2.53            #peak    24
 21 TRP  HB2    21 TRP  HD1     3.65            #peak    38
  2 TRP  HB2     2 TRP  HD1     3.25            #peak    40
  2 TRP  HB3     2 TRP  HD1     3.70            #peak    41
 20 CYSS HB3    21 TRP  HN      3.26            #peak    42
  3 CYSS HA     21 TRP  HN      3.87            #peak    43
 20 CYSS HA     21 TRP  HN      2.47            #peak    44
 20 CYSS HN     20 CYSS HB2     2.95            #peak    46
 13 VAL  HN     13 VAL  HB      2.81            #peak    60
 13 VAL  HN     13 VAL  QQG     2.90            #peak    61
 10 ILE  HA     11 ARG  HN      2.40            #peak    62
 16 ARG  HN     16 ARG  HG3     2.64            #peak    77
 16 ARG  HN     16 ARG  HG2     2.73            #peak    81
 18 ARG  HB2    18 ARG  HE      2.93            #peak    83
 18 ARG  HB3    18 ARG  HE      3.67            #peak    85
 18 ARG  HA     18 ARG  HE      7.00            #peak    88
 18 ARG  HN     18 ARG  HB3     2.77            #peak    89
 18 ARG  HN     18 ARG  HG2     2.92            #peak    90
 18 ARG  HB3    18 ARG  QD      3.62            #peak   114
 18 ARG  HB2    18 ARG  QD      3.41            #peak   116
 11 ARG  HA     11 ARG  HB3     2.77            #peak   145
 11 ARG  HA     11 ARG  QG      2.83            #peak   147
 11 ARG  QG     11 ARG  QD      2.61            #peak   148
 11 ARG  HB3    11 ARG  QD      3.91            #peak   150
 16 ARG  HB2    16 ARG  HD2     2.96            #peak   180
 19 ARG  HN     19 ARG  HB2     3.22            #peak   187
 19 ARG  HN     19 ARG  QG      3.20            #peak   188
 19 ARG  HB3    19 ARG  QD      2.57            #peak   201
 19 ARG  HB2    19 ARG  QD      2.94            #peak   203
  9 ARG  HN      9 ARG  QB      2.50            #peak   215
  9 ARG  HN      9 ARG  QG      3.73            #peak   216
  9 ARG  QD      9 ARG  HE      2.84            #peak   222
  9 ARG  QB      9 ARG  HE      3.40            #peak   223
  9 ARG  QG      9 ARG  HE      3.94            #peak   224
  9 ARG  HA      9 ARG  QB      2.70            #peak   232
  9 ARG  HA      9 ARG  QG      2.93            #peak   233
  1 ARG  QB      1 ARG  QD      3.18            #peak   249
  5 TYR  HN      5 TYR  HB2     2.67            #peak   262
  5 TYR  HN      5 TYR  HB3     3.47            #peak   263
  5 TYR  HA      5 TYR  HB3     2.83            #peak   268
  4 VAL  HN      4 VAL  QG1     3.45            #peak   275
  4 VAL  HA      4 VAL  HB      2.78            #peak   279
  3 CYSS HN      3 CYSS HB3     3.97            #peak   287
  3 CYSS HA      3 CYSS HB3     2.91            #peak   294
  5 TYR  HA      5 TYR  QD      2.86            #peak   299
  4 VAL  HA      5 TYR  HN      2.41            #peak   309
  4 VAL  HB      5 TYR  HN      2.82            #peak   310
  6 ALA  HA      7 TYR  HN      2.40            #peak   314
  6 ALA  QB      7 TYR  HN      2.74            #peak   320
  6 ALA  HA      7 TYR  QD      7.00            #peak   324
  7 TYR  HA      8 VAL  HN      2.40            #peak   332
  7 TYR  QB      8 VAL  HN      3.17            #peak   339
 10 ILE  HN     10 ILE  HB      3.00            #peak   353
 10 ILE  HN     10 ILE  QD1     7.00            #peak   354
 10 ILE  HN     10 ILE  QG2     3.91            #peak   355
 10 ILE  HN     10 ILE  HG12    3.72            #peak   356
 10 ILE  HA     10 ILE  HG12    3.12            #peak   365
 10 ILE  HA     10 ILE  QD1     3.25            #peak   367
 10 ILE  HB     10 ILE  QD1     3.06            #peak   370
 10 ILE  QD1    11 ARG  HN      7.00            #peak   380
 10 ILE  QG2    11 ARG  HN      3.39            #peak   382
 11 ARG  HA     12 GLY  HN      2.87            #peak   388
 15 VAL  HA     16 ARG  HN      2.40            #peak   412
 16 ARG  HB2    17 TYR  HN      3.69            #peak   422
 16 ARG  HB3    17 TYR  HN      3.38            #peak   423
 19 ARG  HA     20 CYSS HN      2.45            #peak   434
 20 CYSS HB2    21 TRP  HN      4.82            #peak   435
 21 TRP  HB3    21 TRP  HE3     3.46            #peak   448
  2 TRP  HB3     2 TRP  HE3     3.48            #peak   461
  8 VAL  HN     15 VAL  HN      2.88            #peak   467
 17 TYR  HN     17 TYR  QD      2.79            #peak   468
  7 TYR  HA     16 ARG  HA      3.61            #peak   470
  9 ARG  HA     10 ILE  HN      2.40            #peak   478
  5 TYR  HA      6 ALA  HN      2.40            #peak   479
  9 ARG  HA     15 VAL  HN      3.59            #peak   480
 10 ILE  HN     14 LEU  HA      4.01            #peak   483
 14 LEU  HA     15 VAL  HN      2.40            #peak   484
  3 CYSS HA     20 CYSS HA      2.84            #peak   487
 10 ILE  HN     13 VAL  HN      3.02            #peak   489
 12 GLY  HN     13 VAL  HN      3.08            #peak   490
 21 TRP  HN     21 TRP  HE3     3.44            #peak   491
 19 ARG  HE     20 CYSS HN      3.01            #peak   493
 14 LEU  QB     15 VAL  HN      7.00            #peak   505
  1 ARG  HA      2 TRP  HN      2.65            #peak   506
  3 CYSS HA      4 VAL  HN      2.40            #peak   508
  2 TRP  HA      3 CYSS HN      2.40            #peak   511
 13 VAL  HA     14 LEU  HN      2.40            #peak   514
  3 CYSS HB3     4 VAL  HN      3.31            #peak   519
 19 ARG  HA     19 ARG  HE      7.00            #peak   521
 19 ARG  HB3    19 ARG  HE      3.71            #peak   526
  8 VAL  HB     17 TYR  QE      3.08            #peak   537
 17 TYR  QE     19 ARG  HB2     7.00            #peak   538
  6 ALA  QB     17 TYR  QE      3.40            #peak   539
  8 VAL  QQG    17 TYR  QE      7.00            #peak   540
  2 TRP  HB3     3 CYSS HN      4.30            #peak   546
  2 TRP  HZ3     4 VAL  QG1     7.00            #peak   549
  5 TYR  QD     18 ARG  HB2     3.58            #peak   560
  7 TYR  QE     16 ARG  HD2     3.80            #peak   562
  7 TYR  QE     16 ARG  HG2     3.02            #peak   564
  8 VAL  QQG    17 TYR  QD      2.90            #peak   568
  5 TYR  QD     18 ARG  HA      7.00            #peak   573
 20 CYSS HA     21 TRP  HE3     3.60            #peak   575
 21 TRP  HA     21 TRP  HB2     2.98            #peak   582
 21 TRP  HA     21 TRP  HB3     2.93            #peak   583
  9 ARG  QB     10 ILE  HN      4.07            #peak   586
  8 VAL  HN     15 VAL  HB      4.12            #peak   588
 10 ILE  HN     13 VAL  HB      5.60            #peak   591
  7 TYR  HA      7 TYR  QD      2.91            #peak   594
 15 VAL  HB     16 ARG  HN      3.70            #peak   598
 16 ARG  HA     17 TYR  QD      7.00            #peak   602
  4 VAL  HN      4 VAL  QG2     3.49            #peak   603
  2 TRP  HZ3     4 VAL  QG2     7.00            #peak   605
 11 ARG  HN     12 GLY  HN      3.22            #peak   612
  2 TRP  HN     21 TRP  HN      3.18            #peak   614
  4 VAL  HN     19 ARG  HN      2.90            #peak   616
 17 TYR  HA     18 ARG  HN      2.54            #peak   630
  2 TRP  HA      2 TRP  HB2     2.97            #peak   636
 13 VAL  QQG    14 LEU  HN      2.91            #peak   638
  9 ARG  HN     10 ILE  QD1     7.00            #peak   640
  9 ARG  QG     10 ILE  HN      4.53            #peak   641
  5 TYR  HN      5 TYR  QD      3.35            #peak   649
 17 TYR  QD     18 ARG  HN      3.53            #peak   651
 10 ILE  HN     10 ILE  HG13    4.52            #peak   655
 15 VAL  HN     15 VAL  QG2     4.06            #peak   659
  4 VAL  QG2    19 ARG  HN      3.66            #peak   660
  4 VAL  QG2     5 TYR  HN      3.53            #peak   661
  1 ARG  QG      2 TRP  HN      4.07            #peak   662
 16 ARG  HN     16 ARG  HB3     3.60            #peak   665
 15 VAL  QG2    16 ARG  HN      3.63            #peak   666
  5 TYR  HB3     6 ALA  HN      3.46            #peak   671
 18 ARG  HB3    19 ARG  HN      7.00            #peak   672
 15 VAL  HN     15 VAL  QG1     3.30            #peak   676
 16 ARG  HA     16 ARG  HG2     3.02            #peak   680
 14 LEU  HA     14 LEU  QD1     3.17            #peak   691
 14 LEU  HA     14 LEU  QD2     3.17            #peak   692
  7 TYR  QB     14 LEU  QD1     3.02            #peak   694
  7 TYR  QB     14 LEU  QD2     3.22            #peak   695
  9 ARG  QB     14 LEU  QD2     3.73            #peak   698
  9 ARG  QB     14 LEU  QD1     3.75            #peak   699
  6 ALA  HN     17 TYR  HN      3.04            #peak   718
  4 VAL  HN     20 CYSS HA      3.91            #peak   722
  9 ARG  QG     13 VAL  HN      5.10            #peak   739
  9 ARG  HA     14 LEU  QD2     4.25            #peak   745
 14 LEU  QD1    15 VAL  HN      5.41            #peak   746
 15 VAL  QG1    16 ARG  HN      4.41            #peak   747
 14 LEU  HN     14 LEU  HA      2.40            #peak   346
 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ARG   1           HA       ARG   1 -16.298   1.520   1.131
    2    HE   ARG   1           HE       ARG   1 -18.829   1.875   3.825
    3    H1   ARG   1           1H       ARG   1 -17.031   2.507  -0.819
    4    H2   ARG   1           2H       ARG   1 -15.492   1.925  -0.991
    5    H3   ARG   1           3H       ARG   1 -16.761   1.125  -1.689
    6    HB2  ARG   1           1HB      ARG   1 -18.707   1.403   0.645
    7    HB3  ARG   1           2HB      ARG   1 -18.484  -0.018  -0.356
    8    HG2  ARG   1           1HG      ARG   1 -18.534  -1.406   1.444
    9    HG3  ARG   1           2HG      ARG   1 -17.336  -0.456   2.300
   10    HD2  ARG   1           1HD      ARG   1 -20.032   0.814   2.128
   11    HD3  ARG   1           2HD      ARG   1 -19.983  -0.671   3.057
   12   HH11  ARG   1          1HH1      ARG   1 -18.369  -1.623   4.145
   13   HH12  ARG   1          2HH1      ARG   1 -17.496  -1.497   5.636
   14   HH21  ARG   1          1HH2      ARG   1 -17.709   2.032   5.737
   15   HH22  ARG   1          2HH2      ARG   1 -17.102   0.668   6.586
   16    H    TRP   2           H        TRP   2 -14.123   0.679  -0.263
   17    HA   TRP   2           HA       TRP   2 -13.930  -2.099   0.524
   18    HD1  TRP   2           HD1      TRP   2 -11.218  -2.930  -2.779
   19    HE1  TRP   2           HE1      TRP   2 -10.020  -1.324  -4.496
   20    HE3  TRP   2           HE3      TRP   2 -14.638   0.819  -2.460
   21    HZ2  TRP   2           HZ2      TRP   2 -10.624   1.276  -5.506
   22    HZ3  TRP   2           HZ3      TRP   2 -14.259   2.857  -3.845
   23    HH2  TRP   2           HH2      TRP   2 -12.335   3.120  -5.330
   24    HB2  TRP   2           1HB      TRP   2 -13.510  -3.047  -1.489
   25    HB3  TRP   2           2HB      TRP   2 -14.706  -1.857  -1.966
   26    H    CYS   3           H        CYS   3 -11.561  -2.768   0.488
   27    HA   CYS   3           HA       CYS   3  -9.786  -0.456   0.464
   28    HB2  CYS   3           1HB      CYS   3  -9.958  -2.449   2.734
   29    HB3  CYS   3           2HB      CYS   3  -8.724  -1.217   2.555
   30    H    VAL   4           H        VAL   4  -7.594  -1.032  -0.107
   31    HA   VAL   4           HA       VAL   4  -7.005  -3.832  -0.516
   32    HB   VAL   4           HB       VAL   4  -6.573  -3.663  -2.845
   33   HG11  VAL   4          1HG1      VAL   4  -8.799  -3.332  -3.754
   34   HG12  VAL   4          2HG1      VAL   4  -8.919  -4.110  -2.158
   35   HG13  VAL   4          3HG1      VAL   4  -9.275  -2.375  -2.332
   36   HG21  VAL   4          3HG2      VAL   4  -6.266  -0.916  -2.364
   37   HG22  VAL   4          1HG2      VAL   4  -6.111  -1.761  -3.923
   38   HG23  VAL   4          2HG2      VAL   4  -7.670  -1.043  -3.450
   39    H    TYR   5           H        TYR   5  -4.711  -4.212  -0.783
   40    HA   TYR   5           HA       TYR   5  -3.158  -2.009   0.324
   41    HD1  TYR   5           HD2      TYR   5  -3.812  -3.389   2.703
   42    HD2  TYR   5           HD1      TYR   5  -3.540  -6.625  -0.082
   43    HE1  TYR   5           HE2      TYR   5  -5.493  -4.719   4.072
   44    HE2  TYR   5           HE1      TYR   5  -5.221  -7.944   1.296
   45    HH   TYR   5           HH       TYR   5  -5.888  -7.415   4.310
   46    HB2  TYR   5           1HB      TYR   5  -2.132  -4.792  -0.346
   47    HB3  TYR   5           2HB      TYR   5  -1.756  -3.812   1.057
   48    H    ALA   6           H        ALA   6  -0.965  -1.558  -0.541
   49    HA   ALA   6           HA       ALA   6  -0.499  -2.401  -3.270
   50    HB1  ALA   6           3HB      ALA   6  -1.359   0.365  -2.463
   51    HB2  ALA   6           1HB      ALA   6  -0.146   0.187  -3.754
   52    HB3  ALA   6           2HB      ALA   6  -1.750  -0.565  -3.930
   53    H    TYR   7           H        TYR   7   1.709  -1.711  -4.003
   54    HA   TYR   7           HA       TYR   7   3.454  -1.420  -1.654
   55    HD1  TYR   7           HD2      TYR   7   3.314  -3.809  -1.068
   56    HD2  TYR   7           HD1      TYR   7   3.103  -4.354  -5.306
   57    HE1  TYR   7           HE2      TYR   7   2.093  -6.013  -0.731
   58    HE2  TYR   7           HE1      TYR   7   1.882  -6.556  -4.954
   59    HH   TYR   7           HH       TYR   7   1.499  -7.911  -1.740
   60    HB2  TYR   7           1HB      TYR   7   4.093  -2.434  -4.483
   61    HB3  TYR   7           2HB      TYR   7   5.030  -2.727  -3.032
   62    H    VAL   8           H        VAL   8   4.941   0.236  -1.569
   63    HA   VAL   8           HA       VAL   8   5.100   1.927  -3.968
   64    HB   VAL   8           HB       VAL   8   3.767   3.153  -2.510
   65   HG11  VAL   8          1HG1      VAL   8   5.610   2.463  -0.197
   66   HG12  VAL   8          2HG1      VAL   8   4.082   3.373  -0.121
   67   HG13  VAL   8          3HG1      VAL   8   4.068   1.645  -0.546
   68   HG21  VAL   8          3HG2      VAL   8   6.617   4.020  -1.912
   69   HG22  VAL   8          1HG2      VAL   8   5.669   4.458  -3.353
   70   HG23  VAL   8          2HG2      VAL   8   5.158   5.027  -1.746
   71    H    ARG   9           H        ARG   9   7.159   3.000  -4.301
   72    HA   ARG   9           HA       ARG   9   9.280   1.377  -3.253
   73    HE   ARG   9           HE       ARG   9  12.503   1.268  -5.328
   74    HB2  ARG   9           1HB      ARG   9   9.667   1.682  -5.533
   75    HB3  ARG   9           2HB      ARG   9   8.912   3.263  -5.561
   76    HG2  ARG   9           1HG      ARG   9  10.855   4.353  -4.724
   77    HG3  ARG   9           2HG      ARG   9  11.525   2.871  -4.071
   78    HD2  ARG   9           1HD      ARG   9  11.096   3.180  -7.066
   79    HD3  ARG   9           2HD      ARG   9  12.531   3.833  -6.300
   80   HH11  ARG   9          1HH1      ARG   9  12.201   2.550  -8.617
   81   HH12  ARG   9          2HH1      ARG   9  12.902   1.151  -9.360
   82   HH21  ARG   9          1HH2      ARG   9  13.401  -0.524  -6.284
   83   HH22  ARG   9          2HH2      ARG   9  13.616  -0.676  -7.982
   84    H    ILE  10           H        ILE  10  10.086   2.010  -1.265
   85    HA   ILE  10           HA       ILE  10  10.804   4.829  -0.991
   86    HB   ILE  10           HB       ILE  10   9.096   3.216   0.885
   87   HG12  ILE  10          1HG1      ILE  10   8.531   5.166  -1.036
   88   HG13  ILE  10          2HG1      ILE  10   7.454   4.549   0.202
   89   HG21  ILE  10          1HG2      ILE  10   9.455   4.838   2.628
   90   HG22  ILE  10          2HG2      ILE  10  11.021   4.140   2.150
   91   HG23  ILE  10          3HG2      ILE  10  10.565   5.769   1.594
   92   HD11  ILE  10          3HD1      ILE  10   8.308   6.284   1.798
   93   HD12  ILE  10          1HD1      ILE  10   9.344   6.929   0.503
   94   HD13  ILE  10          2HD1      ILE  10   7.573   7.002   0.345
   95    H    ARG  11           H        ARG  11  12.822   5.137  -0.122
   96    HA   ARG  11           HA       ARG  11  14.790   4.680   0.641
   97    HE   ARG  11           HE       ARG  11  14.255   4.676   5.592
   98    HB2  ARG  11           1HB      ARG  11  13.236   2.521   2.115
   99    HB3  ARG  11           2HB      ARG  11  14.978   2.612   2.284
  100    HG2  ARG  11           1HG      ARG  11  14.884   4.501   3.579
  101    HG3  ARG  11           2HG      ARG  11  13.650   5.244   2.580
  102    HD2  ARG  11           1HD      ARG  11  11.990   4.591   3.997
  103    HD3  ARG  11           2HD      ARG  11  12.545   2.929   3.988
  104   HH11  ARG  11          1HH1      ARG  11  11.304   2.716   5.638
  105   HH12  ARG  11          2HH1      ARG  11  11.329   2.496   7.356
  106   HH21  ARG  11          1HH2      ARG  11  14.283   4.391   7.795
  107   HH22  ARG  11          2HH2      ARG  11  13.093   3.487   8.641
  108    H    GLY  12           H        GLY  12  13.998   3.618  -1.941
  109    HA3  GLY  12           2HA      GLY  12  16.160   1.923  -2.508
  110    H    VAL  13           H        VAL  13  13.032   1.266  -1.114
  111    HA   VAL  13           HA       VAL  13  13.251  -1.548  -1.915
  112    HB   VAL  13           HB       VAL  13  12.453  -0.702   0.855
  113   HG11  VAL  13          1HG1      VAL  13  13.714  -3.110   1.056
  114   HG12  VAL  13          2HG1      VAL  13  11.962  -2.908   0.815
  115   HG13  VAL  13          3HG1      VAL  13  13.021  -3.227  -0.579
  116   HG21  VAL  13          3HG2      VAL  13  15.145  -0.601  -0.321
  117   HG22  VAL  13          1HG2      VAL  13  14.525   0.099   1.193
  118   HG23  VAL  13          2HG2      VAL  13  15.040  -1.604   1.146
  119    H    LEU  14           H        LEU  14  11.140  -2.748  -1.547
  120    HA   LEU  14           HA       LEU  14   8.956  -0.922  -2.225
  121    HG   LEU  14           HG       LEU  14   6.999  -3.414  -3.700
  122    HB2  LEU  14           1HB      LEU  14   9.816  -2.923  -3.687
  123    HB3  LEU  14           2HB      LEU  14   8.856  -3.891  -2.585
  124   HD11  LEU  14          1HD1      LEU  14   6.900  -1.355  -2.279
  125   HD12  LEU  14          2HD1      LEU  14   7.633  -0.455  -3.629
  126   HD13  LEU  14          3HD1      LEU  14   6.043  -1.228  -3.834
  127   HD21  LEU  14          3HD2      LEU  14   8.784  -1.769  -5.515
  128   HD22  LEU  14          1HD2      LEU  14   8.431  -3.508  -5.657
  129   HD23  LEU  14          2HD2      LEU  14   7.134  -2.314  -5.901
  130    H    VAL  15           H        VAL  15   7.607  -0.382  -0.604
  131    HA   VAL  15           HA       VAL  15   7.313  -2.333   1.571
  132    HB   VAL  15           HB       VAL  15   6.501   0.520   1.847
  133   HG11  VAL  15          1HG1      VAL  15   7.299  -1.758   3.570
  134   HG12  VAL  15          2HG1      VAL  15   7.864  -0.154   4.096
  135   HG13  VAL  15          3HG1      VAL  15   6.125  -0.451   3.859
  136   HG21  VAL  15          3HG2      VAL  15   9.397  -0.392   1.922
  137   HG22  VAL  15          1HG2      VAL  15   8.671   0.708   0.726
  138   HG23  VAL  15          2HG2      VAL  15   8.792   1.202   2.432
  139    H    ARG  16           H        ARG  16   5.239  -2.968   2.233
  140    HA   ARG  16           HA       ARG  16   3.214  -2.332   0.267
  141    HE   ARG  16           HE       ARG  16   4.412  -7.662   2.503
  142    HB2  ARG  16           1HB      ARG  16   2.794  -4.404   2.425
  143    HB3  ARG  16           2HB      ARG  16   2.228  -4.413   0.767
  144    HG2  ARG  16           1HG      ARG  16   4.717  -4.642   0.074
  145    HG3  ARG  16           2HG      ARG  16   5.054  -4.967   1.763
  146    HD2  ARG  16           1HD      ARG  16   2.830  -6.625   1.088
  147    HD3  ARG  16           2HD      ARG  16   3.945  -6.757  -0.257
  148   HH11  ARG  16          1HH1      ARG  16   5.913  -6.868  -0.607
  149   HH12  ARG  16          2HH1      ARG  16   7.340  -7.798  -0.296
  150   HH21  ARG  16          1HH2      ARG  16   6.245  -8.854   2.897
  151   HH22  ARG  16          2HH2      ARG  16   7.544  -8.979   1.780
  152    H    TYR  17           H        TYR  17   1.064  -1.634   0.930
  153    HA   TYR  17           HA       TYR  17   0.694  -1.023   3.746
  154    HD1  TYR  17           HD2      TYR  17   2.768   0.620   0.570
  155    HD2  TYR  17           HD1      TYR  17  -1.327   1.746   1.084
  156    HE1  TYR  17           HE2      TYR  17   2.632   1.268  -1.884
  157    HE2  TYR  17           HE1      TYR  17  -1.450   2.391  -1.373
  158    HH   TYR  17           HH       TYR  17   1.414   2.501  -3.352
  159    HB2  TYR  17           1HB      TYR  17   0.103   1.370   3.009
  160    HB3  TYR  17           2HB      TYR  17   1.803   0.990   2.819
  161    H    ARG  18           H        ARG  18  -1.589  -0.126   4.119
  162    HA   ARG  18           HA       ARG  18  -3.328  -1.504   2.246
  163    HE   ARG  18           HE       ARG  18  -5.862  -2.931   5.685
  164    HB2  ARG  18           1HB      ARG  18  -4.170  -0.565   5.012
  165    HB3  ARG  18           2HB      ARG  18  -4.846  -1.871   4.059
  166    HG2  ARG  18           1HG      ARG  18  -2.382  -2.890   4.279
  167    HG3  ARG  18           2HG      ARG  18  -2.287  -1.825   5.667
  168    HD2  ARG  18           1HD      ARG  18  -3.953  -4.278   5.269
  169    HD3  ARG  18           2HD      ARG  18  -3.200  -3.670   6.730
  170   HH11  ARG  18          1HH1      ARG  18  -3.291  -2.192   8.009
  171   HH12  ARG  18          2HH1      ARG  18  -4.329  -1.283   9.056
  172   HH21  ARG  18          1HH2      ARG  18  -7.190  -1.766   7.032
  173   HH22  ARG  18          2HH2      ARG  18  -6.642  -1.027   8.483
  174    H    ARG  19           H        ARG  19  -5.093  -0.396   1.281
  175    HA   ARG  19           HA       ARG  19  -5.271   2.419   1.999
  176    HE   ARG  19           HE       ARG  19  -5.379   4.666  -0.426
  177    HB2  ARG  19           1HB      ARG  19  -5.223   1.112  -0.753
  178    HB3  ARG  19           2HB      ARG  19  -5.935   2.697  -0.528
  179    HG2  ARG  19           1HG      ARG  19  -3.588   3.122   0.771
  180    HG3  ARG  19           2HG      ARG  19  -3.056   1.859  -0.321
  181    HD2  ARG  19           1HD      ARG  19  -2.684   3.994  -1.428
  182    HD3  ARG  19           2HD      ARG  19  -4.004   3.193  -2.257
  183   HH11  ARG  19          1HH1      ARG  19  -2.726   5.573  -2.592
  184   HH12  ARG  19          2HH1      ARG  19  -3.232   7.225  -2.723
  185   HH21  ARG  19          1HH2      ARG  19  -6.025   6.785  -0.596
  186   HH22  ARG  19          2HH2      ARG  19  -5.188   7.950  -1.542
  187    H    CYS  20           H        CYS  20  -7.461   3.407   1.359
  188    HA   CYS  20           HA       CYS  20  -9.548   1.375   1.201
  189    HB2  CYS  20           1HB      CYS  20  -9.218   3.462   3.328
  190    HB3  CYS  20           2HB      CYS  20 -10.828   2.980   2.832
  191    H    TRP  21           H        TRP  21 -11.684   2.428   0.503
  192    HA   TRP  21           HA       TRP  21 -11.196   4.129  -1.695
  193    HD1  TRP  21           1HD      TRP  21 -15.261   5.415  -1.517
  194    HE1  TRP  21           HE1      TRP  21 -17.031   5.557   0.435
  195    HE3  TRP  21           HE3      TRP  21 -13.221   1.712   1.308
  196    HZ2  TRP  21           HZ2      TRP  21 -17.371   4.136   2.887
  197    HZ3  TRP  21           HZ3      TRP  21 -14.334   1.151   3.467
  198    HH2  TRP  21           2HH      TRP  21 -16.339   2.296   4.268
  199    HB2  TRP  21           1HB      TRP  21 -13.346   3.721  -2.277
  200    HB3  TRP  21           2HB      TRP  21 -13.057   2.344  -1.232
  Start of MODEL    2
    1    HA   ARG   1           HA       ARG   1 -13.863   2.579  -2.030
    2    HE   ARG   1           HE       ARG   1 -17.709   6.157  -0.741
    3    H1   ARG   1           1H       ARG   1 -15.654   2.563  -3.480
    4    H2   ARG   1           2H       ARG   1 -15.024   1.044  -3.299
    5    H3   ARG   1           3H       ARG   1 -16.456   1.436  -2.569
    6    HB2  ARG   1           1HB      ARG   1 -16.646   3.214  -1.044
    7    HB3  ARG   1           2HB      ARG   1 -15.329   3.373   0.102
    8    HG2  ARG   1           1HG      ARG   1 -14.812   5.385  -0.799
    9    HG3  ARG   1           2HG      ARG   1 -14.401   4.588  -2.305
   10    HD2  ARG   1           1HD      ARG   1 -16.116   5.806  -3.204
   11    HD3  ARG   1           2HD      ARG   1 -17.165   4.615  -2.462
   12   HH11  ARG   1          1HH1      ARG   1 -15.153   7.464  -2.818
   13   HH12  ARG   1          2HH1      ARG   1 -15.290   9.070  -2.186
   14   HH21  ARG   1          1HH2      ARG   1 -17.880   8.219   0.067
   15   HH22  ARG   1          2HH2      ARG   1 -16.905   9.525  -0.474
   16    H    TRP   2           H        TRP   2 -12.722   0.756  -1.323
   17    HA   TRP   2           HA       TRP   2 -13.715  -0.493   1.094
   18    HD1  TRP   2           HD1      TRP   2 -11.414  -3.724  -1.120
   19    HE1  TRP   2           HE1      TRP   2 -10.725  -3.858  -3.664
   20    HE3  TRP   2           HE3      TRP   2 -14.915  -0.434  -2.784
   21    HZ2  TRP   2           HZ2      TRP   2 -11.699  -2.601  -6.033
   22    HZ3  TRP   2           HZ3      TRP   2 -14.978   0.058  -5.227
   23    HH2  TRP   2           HH2      TRP   2 -13.445  -0.966  -6.832
   24    HB2  TRP   2           1HB      TRP   2 -13.463  -2.754   0.284
   25    HB3  TRP   2           2HB      TRP   2 -14.698  -1.901  -0.620
   26    H    CYS   3           H        CYS   3 -11.823  -2.217   1.728
   27    HA   CYS   3           HA       CYS   3  -9.417  -0.622   1.604
   28    HB2  CYS   3           1HB      CYS   3 -10.056  -3.116   3.194
   29    HB3  CYS   3           2HB      CYS   3  -8.580  -2.180   3.322
   30    H    VAL   4           H        VAL   4  -7.449  -1.369   0.662
   31    HA   VAL   4           HA       VAL   4  -7.404  -4.020  -0.490
   32    HB   VAL   4           HB       VAL   4  -6.941  -3.238  -2.736
   33   HG11  VAL   4          1HG1      VAL   4  -9.184  -2.567  -3.380
   34   HG12  VAL   4          2HG1      VAL   4  -9.276  -3.765  -2.067
   35   HG13  VAL   4          3HG1      VAL   4  -9.539  -2.040  -1.718
   36   HG21  VAL   4          3HG2      VAL   4  -6.984  -0.990  -3.434
   37   HG22  VAL   4          1HG2      VAL   4  -7.753  -0.441  -1.925
   38   HG23  VAL   4          2HG2      VAL   4  -6.053  -0.968  -1.917
   39    H    TYR   5           H        TYR   5  -5.205  -4.606  -1.222
   40    HA   TYR   5           HA       TYR   5  -3.241  -3.164   0.375
   41    HD1  TYR   5           HD1      TYR   5  -4.826  -4.587   1.583
   42    HD2  TYR   5           HD2      TYR   5  -3.561  -7.847  -0.883
   43    HE1  TYR   5           HE1      TYR   5  -6.618  -6.070   2.611
   44    HE2  TYR   5           HE2      TYR   5  -5.357  -9.318   0.153
   45    HH   TYR   5           HH       TYR   5  -6.792  -8.722   2.929
   46    HB2  TYR   5           1HB      TYR   5  -2.738  -5.649  -1.304
   47    HB3  TYR   5           2HB      TYR   5  -2.119  -5.284   0.294
   48    H    ALA   6           H        ALA   6  -1.386  -2.192  -0.462
   49    HA   ALA   6           HA       ALA   6  -0.864  -2.437  -3.297
   50    HB1  ALA   6           3HB      ALA   6  -2.300  -0.643  -3.600
   51    HB2  ALA   6           1HB      ALA   6  -1.992   0.018  -1.977
   52    HB3  ALA   6           2HB      ALA   6  -0.780   0.219  -3.264
   53    H    TYR   7           H        TYR   7   1.268  -1.484  -3.861
   54    HA   TYR   7           HA       TYR   7   2.958  -1.231  -1.463
   55    HD1  TYR   7           HD2      TYR   7   3.756  -4.065  -1.023
   56    HD2  TYR   7           HD1      TYR   7   2.003  -3.777  -4.915
   57    HE1  TYR   7           HE2      TYR   7   2.631  -6.320  -0.691
   58    HE2  TYR   7           HE1      TYR   7   0.883  -6.033  -4.569
   59    HH   TYR   7           HH       TYR   7   1.570  -7.966  -1.700
   60    HB2  TYR   7           1HB      TYR   7   3.718  -2.246  -4.261
   61    HB3  TYR   7           2HB      TYR   7   4.628  -2.477  -2.782
   62    H    VAL   8           H        VAL   8   4.955   0.072  -1.783
   63    HA   VAL   8           HA       VAL   8   4.867   1.876  -4.056
   64    HB   VAL   8           HB       VAL   8   3.628   3.279  -2.785
   65   HG11  VAL   8          1HG1      VAL   8   3.384   1.683  -0.905
   66   HG12  VAL   8          2HG1      VAL   8   4.941   2.243  -0.249
   67   HG13  VAL   8          3HG1      VAL   8   3.563   3.365  -0.353
   68   HG21  VAL   8          3HG2      VAL   8   5.707   4.460  -3.193
   69   HG22  VAL   8          1HG2      VAL   8   5.069   4.922  -1.597
   70   HG23  VAL   8          2HG2      VAL   8   6.426   3.776  -1.716
   71    H    ARG   9           H        ARG   9   6.915   3.090  -4.291
   72    HA   ARG   9           HA       ARG   9   9.052   1.466  -3.253
   73    HE   ARG   9           HE       ARG   9  10.719   5.337  -6.542
   74    HB2  ARG   9           1HB      ARG   9   9.432   1.780  -5.539
   75    HB3  ARG   9           2HB      ARG   9   8.693   3.368  -5.556
   76    HG2  ARG   9           1HG      ARG   9  10.648   4.391  -4.541
   77    HG3  ARG   9           2HG      ARG   9  11.348   2.831  -4.157
   78    HD2  ARG   9           1HD      ARG   9  12.485   3.017  -6.125
   79    HD3  ARG   9           2HD      ARG   9  10.968   2.637  -6.915
   80   HH11  ARG   9          1HH1      ARG   9  13.360   3.387  -7.876
   81   HH12  ARG   9          2HH1      ARG   9  13.921   4.643  -8.928
   82   HH21  ARG   9          1HH2      ARG   9  11.443   6.945  -7.893
   83   HH22  ARG   9          2HH2      ARG   9  12.789   6.756  -8.944
   84    H    ILE  10           H        ILE  10   9.904   2.111  -1.294
   85    HA   ILE  10           HA       ILE  10  10.487   4.959  -0.989
   86    HB   ILE  10           HB       ILE  10   8.966   3.216   0.938
   87   HG12  ILE  10          1HG1      ILE  10   8.145   5.060  -0.988
   88   HG13  ILE  10          2HG1      ILE  10   7.183   4.386   0.311
   89   HG21  ILE  10          1HG2      ILE  10  10.838   4.333   2.120
   90   HG22  ILE  10          2HG2      ILE  10  10.222   5.903   1.553
   91   HG23  ILE  10          3HG2      ILE  10   9.234   4.900   2.641
   92   HD11  ILE  10          3HD1      ILE  10   8.866   6.928   0.473
   93   HD12  ILE  10          1HD1      ILE  10   7.090   6.844   0.387
   94   HD13  ILE  10          2HD1      ILE  10   7.942   6.231   1.825
   95    H    ARG  11           H        ARG  11  12.519   5.355  -0.205
   96    HA   ARG  11           HA       ARG  11  14.536   4.992   0.476
   97    HE   ARG  11           HE       ARG  11  16.813   3.394   3.181
   98    HB2  ARG  11           1HB      ARG  11  13.049   2.900   2.064
   99    HB3  ARG  11           2HB      ARG  11  14.799   2.810   2.062
  100    HG2  ARG  11           1HG      ARG  11  14.241   5.554   2.464
  101    HG3  ARG  11           2HG      ARG  11  13.041   4.722   3.432
  102    HD2  ARG  11           1HD      ARG  11  15.041   5.080   4.800
  103    HD3  ARG  11           2HD      ARG  11  14.866   3.362   4.503
  104   HH11  ARG  11          1HH1      ARG  11  15.762   6.718   3.815
  105   HH12  ARG  11          2HH1      ARG  11  17.210   7.428   3.181
  106   HH21  ARG  11          1HH2      ARG  11  18.668   4.309   2.370
  107   HH22  ARG  11          2HH2      ARG  11  18.937   6.006   2.323
  108    H    GLY  12           H        GLY  12  13.727   3.904  -2.076
  109    HA3  GLY  12           2HA      GLY  12  15.933   2.303  -2.717
  110    H    VAL  13           H        VAL  13  12.874   1.503  -1.229
  111    HA   VAL  13           HA       VAL  13  13.222  -1.305  -2.009
  112    HB   VAL  13           HB       VAL  13  12.459  -0.443   0.771
  113   HG11  VAL  13          1HG1      VAL  13  13.081  -2.985  -0.629
  114   HG12  VAL  13          2HG1      VAL  13  13.749  -2.813   1.011
  115   HG13  VAL  13          3HG1      VAL  13  11.995  -2.663   0.744
  116   HG21  VAL  13          3HG2      VAL  13  15.084  -1.302   0.968
  117   HG22  VAL  13          1HG2      VAL  13  15.101  -0.273  -0.485
  118   HG23  VAL  13          2HG2      VAL  13  14.523   0.385   1.064
  119    H    LEU  14           H        LEU  14  11.201  -2.606  -1.688
  120    HA   LEU  14           HA       LEU  14   8.910  -0.907  -2.318
  121    HG   LEU  14           HG       LEU  14   7.061  -3.561  -3.675
  122    HB2  LEU  14           1HB      LEU  14   9.836  -2.877  -3.762
  123    HB3  LEU  14           2HB      LEU  14   8.981  -3.888  -2.614
  124   HD11  LEU  14          1HD1      LEU  14   7.496  -0.565  -3.662
  125   HD12  LEU  14          2HD1      LEU  14   5.956  -1.443  -3.824
  126   HD13  LEU  14          3HD1      LEU  14   6.852  -1.494  -2.287
  127   HD21  LEU  14          3HD2      LEU  14   8.436  -3.592  -5.675
  128   HD22  LEU  14          1HD2      LEU  14   7.048  -2.499  -5.897
  129   HD23  LEU  14          2HD2      LEU  14   8.666  -1.829  -5.575
  130    H    VAL  15           H        VAL  15   7.594  -0.378  -0.665
  131    HA   VAL  15           HA       VAL  15   7.451  -2.266   1.573
  132    HB   VAL  15           HB       VAL  15   6.382   0.512   1.717
  133   HG11  VAL  15          1HG1      VAL  15   7.068  -1.630   3.518
  134   HG12  VAL  15          2HG1      VAL  15   8.011  -0.177   3.929
  135   HG13  VAL  15          3HG1      VAL  15   6.235  -0.094   3.858
  136   HG21  VAL  15          3HG2      VAL  15   8.727   1.271   2.395
  137   HG22  VAL  15          1HG2      VAL  15   9.322  -0.187   1.566
  138   HG23  VAL  15          2HG2      VAL  15   8.425   1.051   0.655
  139    H    ARG  16           H        ARG  16   5.436  -3.018   2.325
  140    HA   ARG  16           HA       ARG  16   3.347  -2.680   0.348
  141    HE   ARG  16           HE       ARG  16   5.978  -7.129   2.261
  142    HB2  ARG  16           1HB      ARG  16   3.152  -4.680   2.606
  143    HB3  ARG  16           2HB      ARG  16   2.556  -4.814   0.963
  144    HG2  ARG  16           1HG      ARG  16   5.088  -4.795   0.265
  145    HG3  ARG  16           2HG      ARG  16   5.411  -5.135   1.954
  146    HD2  ARG  16           1HD      ARG  16   3.299  -6.908   1.109
  147    HD3  ARG  16           2HD      ARG  16   4.555  -6.970  -0.112
  148   HH11  ARG  16          1HH1      ARG  16   3.273  -8.973   0.906
  149   HH12  ARG  16          2HH1      ARG  16   3.702 -10.439   1.722
  150   HH21  ARG  16          1HH2      ARG  16   6.525  -9.012   3.306
  151   HH22  ARG  16          2HH2      ARG  16   5.630 -10.469   3.146
  152    H    TYR  17           H        TYR  17   1.200  -2.031   0.967
  153    HA   TYR  17           HA       TYR  17   0.718  -1.446   3.765
  154    HD1  TYR  17           HD2      TYR  17  -1.605   1.374   1.883
  155    HD2  TYR  17           HD1      TYR  17   2.203   0.474   0.153
  156    HE1  TYR  17           HE2      TYR  17  -2.417   2.232  -0.369
  157    HE2  TYR  17           HE1      TYR  17   1.378   1.335  -2.093
  158    HH   TYR  17           HH       TYR  17  -1.124   3.264  -2.473
  159    HB2  TYR  17           1HB      TYR  17   0.361   0.934   3.292
  160    HB3  TYR  17           2HB      TYR  17   1.911   0.537   2.576
  161    H    ARG  18           H        ARG  18  -1.610  -0.418   3.950
  162    HA   ARG  18           HA       ARG  18  -3.259  -1.483   1.817
  163    HE   ARG  18           HE       ARG  18  -4.575  -3.585   6.186
  164    HB2  ARG  18           1HB      ARG  18  -3.790  -1.929   4.798
  165    HB3  ARG  18           2HB      ARG  18  -4.821  -2.472   3.489
  166    HG2  ARG  18           1HG      ARG  18  -3.090  -3.985   2.655
  167    HG3  ARG  18           2HG      ARG  18  -1.903  -3.323   3.761
  168    HD2  ARG  18           1HD      ARG  18  -4.279  -5.101   4.383
  169    HD3  ARG  18           2HD      ARG  18  -2.602  -5.322   4.838
  170   HH11  ARG  18          1HH1      ARG  18  -1.166  -4.499   5.876
  171   HH12  ARG  18          2HH1      ARG  18  -0.722  -3.845   7.417
  172   HH21  ARG  18          1HH2      ARG  18  -4.002  -2.748   8.162
  173   HH22  ARG  18          2HH2      ARG  18  -2.399  -2.805   8.778
  174    H    ARG  19           H        ARG  19  -4.897  -0.053   1.235
  175    HA   ARG  19           HA       ARG  19  -5.557   1.982   3.199
  176    HE   ARG  19           HE       ARG  19  -5.563   5.152   2.366
  177    HB2  ARG  19           1HB      ARG  19  -4.837   2.358   0.262
  178    HB3  ARG  19           2HB      ARG  19  -5.796   3.553   1.113
  179    HG2  ARG  19           1HG      ARG  19  -3.786   3.265   2.926
  180    HG3  ARG  19           2HG      ARG  19  -2.905   2.824   1.477
  181    HD2  ARG  19           1HD      ARG  19  -2.670   5.229   1.788
  182    HD3  ARG  19           2HD      ARG  19  -3.694   4.971   0.390
  183   HH11  ARG  19          1HH1      ARG  19  -2.757   7.190   1.640
  184   HH12  ARG  19          2HH1      ARG  19  -3.477   8.627   2.285
  185   HH21  ARG  19          1HH2      ARG  19  -6.483   6.998   3.193
  186   HH22  ARG  19          2HH2      ARG  19  -5.687   8.520   3.208
  187    H    CYS  20           H        CYS  20  -7.726   3.076   2.678
  188    HA   CYS  20           HA       CYS  20  -9.428   1.264   1.131
  189    HB2  CYS  20           1HB      CYS  20 -10.463   2.650   3.580
  190    HB3  CYS  20           2HB      CYS  20 -11.102   1.251   2.741
  191    H    TRP  21           H        TRP  21 -10.699   2.338  -0.377
  192    HA   TRP  21           HA       TRP  21 -10.830   5.265  -0.106
  193    HD1  TRP  21           1HD      TRP  21 -12.547   5.148  -3.839
  194    HE1  TRP  21           HE1      TRP  21 -13.183   3.315  -5.627
  195    HE3  TRP  21           HE3      TRP  21  -9.003   1.788  -2.425
  196    HZ2  TRP  21           HZ2      TRP  21 -12.155   0.723  -6.236
  197    HZ3  TRP  21           HZ3      TRP  21  -8.886  -0.370  -3.668
  198    HH2  TRP  21           2HH      TRP  21 -10.388  -0.926  -5.514
  199    HB2  TRP  21           1HB      TRP  21 -10.302   5.591  -2.286
  200    HB3  TRP  21           2HB      TRP  21  -9.318   4.182  -1.944
  Start of MODEL    3
    1    HA   ARG   1           HA       ARG   1 -13.908   2.561  -2.057
    2    HE   ARG   1           HE       ARG   1 -12.706   6.542  -0.769
    3    H1   ARG   1           1H       ARG   1 -15.768   2.566  -3.418
    4    H2   ARG   1           2H       ARG   1 -15.177   1.033  -3.228
    5    H3   ARG   1           3H       ARG   1 -16.558   1.489  -2.440
    6    HB2  ARG   1           1HB      ARG   1 -16.617   3.305  -0.945
    7    HB3  ARG   1           2HB      ARG   1 -15.234   3.463   0.118
    8    HG2  ARG   1           1HG      ARG   1 -14.377   4.587  -2.338
    9    HG3  ARG   1           2HG      ARG   1 -16.028   5.144  -2.150
   10    HD2  ARG   1           1HD      ARG   1 -15.538   6.415  -0.272
   11    HD3  ARG   1           2HD      ARG   1 -14.337   5.284   0.318
   12   HH11  ARG   1          1HH1      ARG   1 -15.806   7.129  -2.383
   13   HH12  ARG   1          2HH1      ARG   1 -15.157   8.314  -3.468
   14   HH21  ARG   1          1HH2      ARG   1 -11.879   8.061  -2.163
   15   HH22  ARG   1          2HH2      ARG   1 -12.830   8.871  -3.343
   16    H    TRP   2           H        TRP   2 -12.756   0.782  -1.295
   17    HA   TRP   2           HA       TRP   2 -13.712  -0.412   1.162
   18    HD1  TRP   2           HD1      TRP   2 -11.502  -3.750  -1.011
   19    HE1  TRP   2           HE1      TRP   2 -10.831  -3.934  -3.556
   20    HE3  TRP   2           HE3      TRP   2 -14.912  -0.375  -2.696
   21    HZ2  TRP   2           HZ2      TRP   2 -11.780  -2.676  -5.935
   22    HZ3  TRP   2           HZ3      TRP   2 -14.974   0.089  -5.144
   23    HH2  TRP   2           HH2      TRP   2 -13.481  -0.999  -6.745
   24    HB2  TRP   2           1HB      TRP   2 -13.492  -2.691   0.400
   25    HB3  TRP   2           2HB      TRP   2 -14.731  -1.850  -0.509
   26    H    CYS   3           H        CYS   3 -11.815  -2.136   1.794
   27    HA   CYS   3           HA       CYS   3  -9.406  -0.554   1.597
   28    HB2  CYS   3           1HB      CYS   3 -10.046  -3.006   3.251
   29    HB3  CYS   3           2HB      CYS   3  -8.545  -2.105   3.322
   30    H    VAL   4           H        VAL   4  -7.432  -1.365   0.688
   31    HA   VAL   4           HA       VAL   4  -7.453  -4.019  -0.455
   32    HB   VAL   4           HB       VAL   4  -6.955  -3.251  -2.703
   33   HG11  VAL   4          1HG1      VAL   4  -9.175  -2.616  -3.371
   34   HG12  VAL   4          2HG1      VAL   4  -9.315  -3.720  -1.982
   35   HG13  VAL   4          3HG1      VAL   4  -9.536  -1.969  -1.753
   36   HG21  VAL   4          3HG2      VAL   4  -7.764  -0.443  -1.960
   37   HG22  VAL   4          1HG2      VAL   4  -6.070  -0.971  -1.824
   38   HG23  VAL   4          2HG2      VAL   4  -6.894  -1.025  -3.400
   39    H    TYR   5           H        TYR   5  -5.264  -4.652  -1.205
   40    HA   TYR   5           HA       TYR   5  -3.268  -3.260   0.401
   41    HD1  TYR   5           HD1      TYR   5  -4.685  -4.747   1.819
   42    HD2  TYR   5           HD2      TYR   5  -3.908  -7.828  -1.045
   43    HE1  TYR   5           HE1      TYR   5  -6.514  -6.179   2.853
   44    HE2  TYR   5           HE2      TYR   5  -5.739  -9.250  -0.002
   45    HH   TYR   5           HH       TYR   5  -8.070  -8.169   1.768
   46    HB2  TYR   5           1HB      TYR   5  -2.828  -5.763  -1.270
   47    HB3  TYR   5           2HB      TYR   5  -2.199  -5.407   0.327
   48    H    ALA   6           H        ALA   6  -1.439  -2.271  -0.437
   49    HA   ALA   6           HA       ALA   6  -0.867  -2.578  -3.257
   50    HB1  ALA   6           3HB      ALA   6  -2.038  -0.104  -2.015
   51    HB2  ALA   6           1HB      ALA   6  -0.802   0.079  -3.282
   52    HB3  ALA   6           2HB      ALA   6  -2.309  -0.803  -3.629
   53    H    TYR   7           H        TYR   7   1.267  -1.623  -3.807
   54    HA   TYR   7           HA       TYR   7   2.924  -1.369  -1.387
   55    HD1  TYR   7           HD2      TYR   7   3.854  -4.159  -1.029
   56    HD2  TYR   7           HD1      TYR   7   2.036  -3.848  -4.889
   57    HE1  TYR   7           HE2      TYR   7   2.818  -6.462  -0.734
   58    HE2  TYR   7           HE1      TYR   7   1.007  -6.152  -4.582
   59    HH   TYR   7           HH       TYR   7   1.763  -8.098  -1.725
   60    HB2  TYR   7           1HB      TYR   7   3.699  -2.268  -4.223
   61    HB3  TYR   7           2HB      TYR   7   4.642  -2.501  -2.764
   62    H    VAL   8           H        VAL   8   4.867   0.012  -1.609
   63    HA   VAL   8           HA       VAL   8   4.718   1.924  -3.803
   64    HB   VAL   8           HB       VAL   8   3.404   3.063  -2.252
   65   HG11  VAL   8          1HG1      VAL   8   3.723   3.169   0.106
   66   HG12  VAL   8          2HG1      VAL   8   3.930   1.462  -0.356
   67   HG13  VAL   8          3HG1      VAL   8   5.356   2.470  -0.012
   68   HG21  VAL   8          3HG2      VAL   8   4.779   4.953  -1.491
   69   HG22  VAL   8          1HG2      VAL   8   6.253   3.992  -1.758
   70   HG23  VAL   8          2HG2      VAL   8   5.225   4.447  -3.139
   71    H    ARG   9           H        ARG   9   6.745   3.230  -3.967
   72    HA   ARG   9           HA       ARG   9   8.935   1.550  -3.125
   73    HE   ARG   9           HE       ARG   9  10.914   4.985  -7.488
   74    HB2  ARG   9           1HB      ARG   9   9.279   1.982  -5.387
   75    HB3  ARG   9           2HB      ARG   9   8.453   3.526  -5.330
   76    HG2  ARG   9           1HG      ARG   9  10.358   4.670  -4.494
   77    HG3  ARG   9           2HG      ARG   9  11.101   3.202  -3.892
   78    HD2  ARG   9           1HD      ARG   9  12.283   3.044  -5.824
   79    HD3  ARG   9           2HD      ARG   9  10.783   2.791  -6.695
   80   HH11  ARG   9          1HH1      ARG   9  12.972   4.707  -4.618
   81   HH12  ARG   9          2HH1      ARG   9  13.624   6.304  -4.778
   82   HH21  ARG   9          1HH2      ARG   9  11.752   7.032  -7.690
   83   HH22  ARG   9          2HH2      ARG   9  12.905   7.687  -6.598
   84    H    ILE  10           H        ILE  10   9.885   2.103  -1.186
   85    HA   ILE  10           HA       ILE  10  10.408   4.944  -0.736
   86    HB   ILE  10           HB       ILE  10   8.903   3.065   1.040
   87   HG12  ILE  10          1HG1      ILE  10   8.199   5.248  -0.520
   88   HG13  ILE  10          2HG1      ILE  10   7.233   4.507   0.740
   89   HG21  ILE  10          1HG2      ILE  10   9.367   4.456   2.982
   90   HG22  ILE  10          2HG2      ILE  10  10.869   3.740   2.349
   91   HG23  ILE  10          3HG2      ILE  10  10.493   5.450   2.026
   92   HD11  ILE  10          3HD1      ILE  10   8.202   6.038   2.430
   93   HD12  ILE  10          1HD1      ILE  10   9.238   6.768   1.180
   94   HD13  ILE  10          2HD1      ILE  10   7.470   6.958   1.094
   95    H    ARG  11           H        ARG  11  12.479   5.343  -0.088
   96    HA   ARG  11           HA       ARG  11  14.539   5.000   0.464
   97    HE   ARG  11           HE       ARG  11  14.934   4.105   5.778
   98    HB2  ARG  11           1HB      ARG  11  13.327   2.641   1.965
   99    HB3  ARG  11           2HB      ARG  11  15.050   2.954   2.020
  100    HG2  ARG  11           1HG      ARG  11  13.505   5.409   2.501
  101    HG3  ARG  11           2HG      ARG  11  13.065   4.150   3.637
  102    HD2  ARG  11           1HD      ARG  11  15.833   3.919   3.605
  103    HD3  ARG  11           2HD      ARG  11  15.625   5.644   3.371
  104   HH11  ARG  11          1HH1      ARG  11  14.425   7.133   4.011
  105   HH12  ARG  11          2HH1      ARG  11  13.920   8.013   5.416
  106   HH21  ARG  11          1HH2      ARG  11  14.286   5.236   7.577
  107   HH22  ARG  11          2HH2      ARG  11  13.835   6.893   7.533
  108    H    GLY  12           H        GLY  12  13.608   4.001  -2.080
  109    HA3  GLY  12           2HA      GLY  12  15.804   2.461  -2.901
  110    H    VAL  13           H        VAL  13  12.865   1.558  -1.268
  111    HA   VAL  13           HA       VAL  13  13.207  -1.210  -2.190
  112    HB   VAL  13           HB       VAL  13  12.444  -0.507   0.627
  113   HG11  VAL  13          1HG1      VAL  13  12.339  -2.726   0.798
  114   HG12  VAL  13          2HG1      VAL  13  12.884  -2.911  -0.886
  115   HG13  VAL  13          3HG1      VAL  13  14.078  -2.821   0.431
  116   HG21  VAL  13          3HG2      VAL  13  15.087  -0.143  -0.626
  117   HG22  VAL  13          1HG2      VAL  13  14.441   0.497   0.904
  118   HG23  VAL  13          2HG2      VAL  13  15.103  -1.154   0.839
  119    H    LEU  14           H        LEU  14  11.206  -2.559  -1.826
  120    HA   LEU  14           HA       LEU  14   8.880  -0.881  -2.383
  121    HG   LEU  14           HG       LEU  14   7.043  -3.530  -3.766
  122    HB2  LEU  14           1HB      LEU  14   9.806  -2.806  -3.888
  123    HB3  LEU  14           2HB      LEU  14   8.986  -3.853  -2.746
  124   HD11  LEU  14          1HD1      LEU  14   5.906  -1.426  -3.844
  125   HD12  LEU  14          2HD1      LEU  14   6.833  -1.498  -2.326
  126   HD13  LEU  14          3HD1      LEU  14   7.436  -0.529  -3.693
  127   HD21  LEU  14          3HD2      LEU  14   8.385  -3.494  -5.790
  128   HD22  LEU  14          1HD2      LEU  14   6.974  -2.421  -5.962
  129   HD23  LEU  14          2HD2      LEU  14   8.586  -1.730  -5.655
  130    H    VAL  15           H        VAL  15   7.588  -0.410  -0.694
  131    HA   VAL  15           HA       VAL  15   7.514  -2.353   1.500
  132    HB   VAL  15           HB       VAL  15   6.437   0.419   1.727
  133   HG11  VAL  15          1HG1      VAL  15   6.196  -1.081   3.616
  134   HG12  VAL  15          2HG1      VAL  15   7.939  -1.443   3.597
  135   HG13  VAL  15          3HG1      VAL  15   7.374   0.191   4.021
  136   HG21  VAL  15          3HG2      VAL  15   9.402  -0.240   1.761
  137   HG22  VAL  15          1HG2      VAL  15   8.560   0.786   0.576
  138   HG23  VAL  15          2HG2      VAL  15   8.678   1.302   2.275
  139    H    ARG  16           H        ARG  16   5.506  -3.102   2.306
  140    HA   ARG  16           HA       ARG  16   3.394  -2.795   0.354
  141    HE   ARG  16           HE       ARG  16   4.989  -7.837   2.863
  142    HB2  ARG  16           1HB      ARG  16   3.216  -4.732   2.668
  143    HB3  ARG  16           2HB      ARG  16   2.607  -4.912   1.034
  144    HG2  ARG  16           1HG      ARG  16   5.118  -4.931   0.302
  145    HG3  ARG  16           2HG      ARG  16   5.479  -5.187   1.998
  146    HD2  ARG  16           1HD      ARG  16   3.372  -7.017   1.329
  147    HD3  ARG  16           2HD      ARG  16   4.546  -7.114   0.032
  148   HH11  ARG  16          1HH1      ARG  16   6.462  -7.247  -0.305
  149   HH12  ARG  16          2HH1      ARG  16   7.916  -8.110   0.072
  150   HH21  ARG  16          1HH2      ARG  16   6.855  -8.943   3.342
  151   HH22  ARG  16          2HH2      ARG  16   8.155  -9.118   2.233
  152    H    TYR  17           H        TYR  17   1.266  -2.099   0.961
  153    HA   TYR  17           HA       TYR  17   0.791  -1.458   3.748
  154    HD1  TYR  17           HD2      TYR  17  -1.509   1.333   1.814
  155    HD2  TYR  17           HD1      TYR  17   2.300   0.400   0.104
  156    HE1  TYR  17           HE2      TYR  17  -2.315   2.159  -0.452
  157    HE2  TYR  17           HE1      TYR  17   1.481   1.229  -2.156
  158    HH   TYR  17           HH       TYR  17  -1.416   3.004  -2.481
  159    HB2  TYR  17           1HB      TYR  17   0.462   0.917   3.232
  160    HB3  TYR  17           2HB      TYR  17   2.006   0.489   2.521
  161    H    ARG  18           H        ARG  18  -1.526  -0.392   3.909
  162    HA   ARG  18           HA       ARG  18  -3.185  -1.489   1.801
  163    HE   ARG  18           HE       ARG  18  -5.355  -3.982   5.381
  164    HB2  ARG  18           1HB      ARG  18  -3.727  -1.848   4.792
  165    HB3  ARG  18           2HB      ARG  18  -4.762  -2.413   3.496
  166    HG2  ARG  18           1HG      ARG  18  -3.024  -3.954   2.696
  167    HG3  ARG  18           2HG      ARG  18  -1.858  -3.297   3.828
  168    HD2  ARG  18           1HD      ARG  18  -3.805  -5.396   4.268
  169    HD3  ARG  18           2HD      ARG  18  -2.531  -4.852   5.340
  170   HH11  ARG  18          1HH1      ARG  18  -2.069  -3.425   6.585
  171   HH12  ARG  18          2HH1      ARG  18  -2.595  -2.511   7.959
  172   HH21  ARG  18          1HH2      ARG  18  -6.024  -2.810   7.146
  173   HH22  ARG  18          2HH2      ARG  18  -4.938  -2.143   8.298
  174    H    ARG  19           H        ARG  19  -4.842  -0.080   1.200
  175    HA   ARG  19           HA       ARG  19  -5.476   2.017   3.104
  176    HE   ARG  19           HE       ARG  19  -5.438   5.167   2.197
  177    HB2  ARG  19           1HB      ARG  19  -4.724   2.330   0.166
  178    HB3  ARG  19           2HB      ARG  19  -5.671   3.553   0.990
  179    HG2  ARG  19           1HG      ARG  19  -3.677   3.262   2.822
  180    HG3  ARG  19           2HG      ARG  19  -2.794   2.791   1.383
  181    HD2  ARG  19           1HD      ARG  19  -2.531   5.198   1.670
  182    HD3  ARG  19           2HD      ARG  19  -3.541   4.931   0.263
  183   HH11  ARG  19          1HH1      ARG  19  -2.574   7.146   1.541
  184   HH12  ARG  19          2HH1      ARG  19  -3.279   8.597   2.172
  185   HH21  ARG  19          1HH2      ARG  19  -6.338   7.030   3.006
  186   HH22  ARG  19          2HH2      ARG  19  -5.511   8.535   3.043
  187    H    CYS  20           H        CYS  20  -7.628   3.120   2.547
  188    HA   CYS  20           HA       CYS  20  -9.333   1.295   1.017
  189    HB2  CYS  20           1HB      CYS  20 -10.396   2.756   3.407
  190    HB3  CYS  20           2HB      CYS  20 -11.015   1.324   2.609
  191    H    TRP  21           H        TRP  21 -10.597   2.346  -0.518
  192    HA   TRP  21           HA       TRP  21 -10.673   5.281  -0.334
  193    HD1  TRP  21           1HD      TRP  21 -12.399   5.089  -4.059
  194    HE1  TRP  21           HE1      TRP  21 -13.076   3.216  -5.791
  195    HE3  TRP  21           HE3      TRP  21  -8.922   1.699  -2.550
  196    HZ2  TRP  21           HZ2      TRP  21 -12.103   0.586  -6.323
  197    HZ3  TRP  21           HZ3      TRP  21  -8.852  -0.497  -3.728
  198    HH2  TRP  21           2HH      TRP  21 -10.369  -1.076  -5.555
  199    HB2  TRP  21           1HB      TRP  21 -10.142   5.530  -2.523
  200    HB3  TRP  21           2HB      TRP  21  -9.186   4.112  -2.140
  Start of MODEL    4
    1    HA   ARG   1           HA       ARG   1 -14.703   2.359  -1.891
    2    HE   ARG   1           HE       ARG   1 -15.693   7.153  -1.446
    3    H1   ARG   1           1H       ARG   1 -16.859   3.172  -1.888
    4    H2   ARG   1           2H       ARG   1 -16.847   1.525  -2.041
    5    H3   ARG   1           3H       ARG   1 -17.279   2.217  -0.602
    6    HB2  ARG   1           1HB      ARG   1 -15.682   3.451   0.791
    7    HB3  ARG   1           2HB      ARG   1 -13.983   3.339   0.379
    8    HG2  ARG   1           1HG      ARG   1 -14.464   5.532  -0.292
    9    HG3  ARG   1           2HG      ARG   1 -14.676   4.666  -1.801
   10    HD2  ARG   1           1HD      ARG   1 -17.079   4.676  -1.598
   11    HD3  ARG   1           2HD      ARG   1 -17.015   5.127   0.095
   12   HH11  ARG   1          1HH1      ARG   1 -18.949   5.903  -0.825
   13   HH12  ARG   1          2HH1      ARG   1 -19.727   7.414  -1.160
   14   HH21  ARG   1          1HH2      ARG   1 -16.695   9.088  -1.876
   15   HH22  ARG   1          2HH2      ARG   1 -18.396   9.307  -1.784
   16    H    TRP   2           H        TRP   2 -13.063   0.943  -0.996
   17    HA   TRP   2           HA       TRP   2 -13.853  -0.830   1.153
   18    HD1  TRP   2           HD1      TRP   2 -11.604  -3.612  -1.763
   19    HE1  TRP   2           HE1      TRP   2 -10.900  -3.130  -4.260
   20    HE3  TRP   2           HE3      TRP   2 -14.897   0.190  -2.510
   21    HZ2  TRP   2           HZ2      TRP   2 -11.780  -1.255  -6.224
   22    HZ3  TRP   2           HZ3      TRP   2 -14.910   1.293  -4.745
   23    HH2  TRP   2           HH2      TRP   2 -13.422   0.628  -6.567
   24    HB2  TRP   2           1HB      TRP   2 -13.483  -2.861  -0.085
   25    HB3  TRP   2           2HB      TRP   2 -14.796  -1.943  -0.794
   26    H    CYS   3           H        CYS   3 -11.851  -2.358   1.592
   27    HA   CYS   3           HA       CYS   3  -9.547  -0.616   1.525
   28    HB2  CYS   3           1HB      CYS   3 -10.070  -3.223   2.965
   29    HB3  CYS   3           2HB      CYS   3  -8.566  -2.328   3.060
   30    H    VAL   4           H        VAL   4  -7.451  -1.371   0.700
   31    HA   VAL   4           HA       VAL   4  -7.448  -3.825  -0.825
   32    HB   VAL   4           HB       VAL   4  -6.783  -2.722  -2.900
   33   HG11  VAL   4          1HG1      VAL   4  -9.429  -1.532  -2.046
   34   HG12  VAL   4          2HG1      VAL   4  -8.947  -2.154  -3.643
   35   HG13  VAL   4          3HG1      VAL   4  -9.214  -3.282  -2.292
   36   HG21  VAL   4          3HG2      VAL   4  -7.784  -0.054  -2.104
   37   HG22  VAL   4          1HG2      VAL   4  -6.222  -0.523  -1.391
   38   HG23  VAL   4          2HG2      VAL   4  -6.424  -0.506  -3.159
   39    H    TYR   5           H        TYR   5  -5.209  -4.323  -1.623
   40    HA   TYR   5           HA       TYR   5  -3.251  -3.049   0.163
   41    HD1  TYR   5           HD2      TYR   5  -5.504  -4.726   0.972
   42    HD2  TYR   5           HD1      TYR   5  -1.672  -6.566   1.460
   43    HE1  TYR   5           HE2      TYR   5  -6.127  -5.412   3.339
   44    HE2  TYR   5           HE1      TYR   5  -2.308  -7.245   3.826
   45    HH   TYR   5           HH       TYR   5  -4.795  -7.694   4.962
   46    HB2  TYR   5           1HB      TYR   5  -3.719  -5.823  -1.049
   47    HB3  TYR   5           2HB      TYR   5  -2.113  -5.392  -0.497
   48    H    ALA   6           H        ALA   6  -1.397  -2.157  -0.687
   49    HA   ALA   6           HA       ALA   6  -0.665  -2.797  -3.412
   50    HB1  ALA   6           3HB      ALA   6  -0.545  -0.161  -3.741
   51    HB2  ALA   6           1HB      ALA   6  -2.047  -1.057  -4.074
   52    HB3  ALA   6           2HB      ALA   6  -1.857  -0.178  -2.538
   53    H    TYR   7           H        TYR   7   1.499  -1.801  -3.953
   54    HA   TYR   7           HA       TYR   7   3.028  -1.391  -1.471
   55    HD1  TYR   7           HD1      TYR   7   3.798  -4.176  -0.902
   56    HD2  TYR   7           HD2      TYR   7   2.413  -4.055  -4.948
   57    HE1  TYR   7           HE1      TYR   7   2.705  -6.453  -0.604
   58    HE2  TYR   7           HE2      TYR   7   1.325  -6.332  -4.636
   59    HH   TYR   7           HH       TYR   7   1.506  -8.239  -3.275
   60    HB2  TYR   7           1HB      TYR   7   3.992  -2.445  -4.190
   61    HB3  TYR   7           2HB      TYR   7   4.803  -2.627  -2.647
   62    H    VAL   8           H        VAL   8   5.000  -0.035  -1.706
   63    HA   VAL   8           HA       VAL   8   4.940   1.742  -4.014
   64    HB   VAL   8           HB       VAL   8   3.646   3.087  -2.705
   65   HG11  VAL   8          1HG1      VAL   8   4.514   3.199  -0.080
   66   HG12  VAL   8          2HG1      VAL   8   3.134   2.251  -0.686
   67   HG13  VAL   8          3HG1      VAL   8   4.730   1.483  -0.501
   68   HG21  VAL   8          3HG2      VAL   8   5.064   4.823  -1.641
   69   HG22  VAL   8          1HG2      VAL   8   6.464   3.731  -1.771
   70   HG23  VAL   8          2HG2      VAL   8   5.664   4.333  -3.243
   71    H    ARG   9           H        ARG   9   6.973   3.060  -4.149
   72    HA   ARG   9           HA       ARG   9   9.126   1.424  -3.140
   73    HE   ARG   9           HE       ARG   9  10.609   3.268  -7.862
   74    HB2  ARG   9           1HB      ARG   9   9.576   1.749  -5.398
   75    HB3  ARG   9           2HB      ARG   9   8.732   3.283  -5.457
   76    HG2  ARG   9           1HG      ARG   9  10.587   4.499  -4.652
   77    HG3  ARG   9           2HG      ARG   9  11.293   3.104  -3.861
   78    HD2  ARG   9           1HD      ARG   9  12.648   3.545  -5.814
   79    HD3  ARG   9           2HD      ARG   9  11.721   2.101  -6.170
   80   HH11  ARG   9          1HH1      ARG   9  12.081   5.617  -5.656
   81   HH12  ARG   9          2HH1      ARG   9  11.677   6.983  -6.642
   82   HH21  ARG   9          1HH2      ARG   9  10.094   5.022  -9.124
   83   HH22  ARG   9          2HH2      ARG   9  10.499   6.637  -8.700
   84    H    ILE  10           H        ILE  10   9.925   2.070  -1.157
   85    HA   ILE  10           HA       ILE  10  10.439   4.934  -0.828
   86    HB   ILE  10           HB       ILE  10   8.928   3.102   1.003
   87   HG12  ILE  10          1HG1      ILE  10   8.161   5.110  -0.738
   88   HG13  ILE  10          2HG1      ILE  10   7.201   4.442   0.567
   89   HG21  ILE  10          1HG2      ILE  10   9.256   4.655   2.849
   90   HG22  ILE  10          2HG2      ILE  10  10.810   3.966   2.321
   91   HG23  ILE  10          3HG2      ILE  10  10.370   5.627   1.858
   92   HD11  ILE  10          3HD1      ILE  10   8.144   6.158   2.131
   93   HD12  ILE  10          1HD1      ILE  10   9.064   6.853   0.775
   94   HD13  ILE  10          2HD1      ILE  10   7.284   6.894   0.757
   95    H    ARG  11           H        ARG  11  12.480   5.387  -0.118
   96    HA   ARG  11           HA       ARG  11  14.524   5.092   0.512
   97    HE   ARG  11           HE       ARG  11  15.970   3.947   4.125
   98    HB2  ARG  11           1HB      ARG  11  13.249   2.831   2.101
   99    HB3  ARG  11           2HB      ARG  11  14.980   3.091   2.171
  100    HG2  ARG  11           1HG      ARG  11  14.587   5.465   2.882
  101    HG3  ARG  11           2HG      ARG  11  12.858   5.188   2.831
  102    HD2  ARG  11           1HD      ARG  11  13.410   4.870   5.123
  103    HD3  ARG  11           2HD      ARG  11  13.281   3.237   4.500
  104   HH11  ARG  11          1HH1      ARG  11  13.775   3.666   6.892
  105   HH12  ARG  11          2HH1      ARG  11  15.037   3.275   8.012
  106   HH21  ARG  11          1HH2      ARG  11  17.586   3.445   5.565
  107   HH22  ARG  11          2HH2      ARG  11  17.299   3.142   7.232
  108    H    GLY  12           H        GLY  12  13.705   3.967  -2.011
  109    HA3  GLY  12           2HA      GLY  12  15.937   2.411  -2.678
  110    H    VAL  13           H        VAL  13  12.908   1.557  -1.155
  111    HA   VAL  13           HA       VAL  13  13.329  -1.251  -1.904
  112    HB   VAL  13           HB       VAL  13  12.482  -0.389   0.848
  113   HG11  VAL  13          1HG1      VAL  13  13.835  -2.678   1.194
  114   HG12  VAL  13          2HG1      VAL  13  12.108  -2.638   0.766
  115   HG13  VAL  13          3HG1      VAL  13  13.332  -2.911  -0.498
  116   HG21  VAL  13          3HG2      VAL  13  15.140  -0.097  -0.352
  117   HG22  VAL  13          1HG2      VAL  13  14.496   0.543   1.179
  118   HG23  VAL  13          2HG2      VAL  13  15.143  -1.114   1.109
  119    H    LEU  14           H        LEU  14  11.341  -2.601  -1.609
  120    HA   LEU  14           HA       LEU  14   9.018  -0.979  -2.309
  121    HG   LEU  14           HG       LEU  14   7.263  -3.737  -3.606
  122    HB2  LEU  14           1HB      LEU  14  10.010  -2.952  -3.691
  123    HB3  LEU  14           2HB      LEU  14   9.185  -3.965  -2.524
  124   HD11  LEU  14          1HD1      LEU  14   7.587  -0.727  -3.658
  125   HD12  LEU  14          2HD1      LEU  14   6.081  -1.664  -3.815
  126   HD13  LEU  14          3HD1      LEU  14   6.963  -1.649  -2.269
  127   HD21  LEU  14          3HD2      LEU  14   7.228  -2.713  -5.852
  128   HD22  LEU  14          1HD2      LEU  14   8.828  -1.999  -5.534
  129   HD23  LEU  14          2HD2      LEU  14   8.640  -3.768  -5.599
  130    H    VAL  15           H        VAL  15   7.685  -0.423  -0.677
  131    HA   VAL  15           HA       VAL  15   7.506  -2.291   1.579
  132    HB   VAL  15           HB       VAL  15   6.493   0.511   1.698
  133   HG11  VAL  15          1HG1      VAL  15   6.163  -0.901   3.627
  134   HG12  VAL  15          2HG1      VAL  15   7.885  -1.352   3.650
  135   HG13  VAL  15          3HG1      VAL  15   7.398   0.319   4.021
  136   HG21  VAL  15          3HG2      VAL  15   9.430  -0.246   1.690
  137   HG22  VAL  15          1HG2      VAL  15   8.598   0.924   0.637
  138   HG23  VAL  15          2HG2      VAL  15   8.803   1.274   2.370
  139    H    ARG  16           H        ARG  16   5.436  -2.909   2.378
  140    HA   ARG  16           HA       ARG  16   3.410  -2.655   0.329
  141    HE   ARG  16           HE       ARG  16   5.429  -6.688  -0.461
  142    HB2  ARG  16           1HB      ARG  16   3.077  -4.439   2.746
  143    HB3  ARG  16           2HB      ARG  16   2.525  -4.699   1.103
  144    HG2  ARG  16           1HG      ARG  16   5.061  -4.845   0.476
  145    HG3  ARG  16           2HG      ARG  16   5.347  -5.005   2.197
  146    HD2  ARG  16           1HD      ARG  16   4.700  -7.187   2.178
  147    HD3  ARG  16           2HD      ARG  16   3.182  -6.791   1.396
  148   HH11  ARG  16          1HH1      ARG  16   3.118  -8.874   1.099
  149   HH12  ARG  16          2HH1      ARG  16   3.232 -10.079  -0.140
  150   HH21  ARG  16          1HH2      ARG  16   5.572  -8.236  -2.048
  151   HH22  ARG  16          2HH2      ARG  16   4.685  -9.707  -2.009
  152    H    TYR  17           H        TYR  17   1.238  -1.948   0.851
  153    HA   TYR  17           HA       TYR  17   0.739  -1.050   3.563
  154    HD1  TYR  17           HD2      TYR  17  -1.540   1.534   1.317
  155    HD2  TYR  17           HD1      TYR  17   2.310   0.456  -0.207
  156    HE1  TYR  17           HE2      TYR  17  -2.296   2.131  -1.036
  157    HE2  TYR  17           HE1      TYR  17   1.541   1.057  -2.555
  158    HH   TYR  17           HH       TYR  17  -1.783   2.178  -3.131
  159    HB2  TYR  17           1HB      TYR  17   0.398   1.266   2.814
  160    HB3  TYR  17           2HB      TYR  17   1.960   0.780   2.183
  161    H    ARG  18           H        ARG  18  -1.543  -0.479   3.914
  162    HA   ARG  18           HA       ARG  18  -3.221  -1.464   1.752
  163    HE   ARG  18           HE       ARG  18  -4.558  -4.417   5.120
  164    HB2  ARG  18           1HB      ARG  18  -3.756  -1.939   4.724
  165    HB3  ARG  18           2HB      ARG  18  -4.652  -2.615   3.379
  166    HG2  ARG  18           1HG      ARG  18  -3.118  -4.277   3.029
  167    HG3  ARG  18           2HG      ARG  18  -1.756  -3.189   3.212
  168    HD2  ARG  18           1HD      ARG  18  -1.769  -4.889   5.020
  169    HD3  ARG  18           2HD      ARG  18  -1.974  -3.280   5.684
  170   HH11  ARG  18          1HH1      ARG  18  -1.873  -4.703   7.414
  171   HH12  ARG  18          2HH1      ARG  18  -2.872  -5.290   8.702
  172   HH21  ARG  18          1HH2      ARG  18  -5.836  -5.170   6.774
  173   HH22  ARG  18          2HH2      ARG  18  -5.223  -5.569   8.329
  174    H    ARG  19           H        ARG  19  -4.875  -0.050   1.209
  175    HA   ARG  19           HA       ARG  19  -5.697   1.827   3.255
  176    HE   ARG  19           HE       ARG  19  -5.719   5.036   2.717
  177    HB2  ARG  19           1HB      ARG  19  -4.750   2.505   0.437
  178    HB3  ARG  19           2HB      ARG  19  -5.794   3.594   1.329
  179    HG2  ARG  19           1HG      ARG  19  -3.913   3.134   3.249
  180    HG3  ARG  19           2HG      ARG  19  -2.922   2.877   1.826
  181    HD2  ARG  19           1HD      ARG  19  -2.786   5.239   2.448
  182    HD3  ARG  19           2HD      ARG  19  -3.660   5.116   0.934
  183   HH11  ARG  19          1HH1      ARG  19  -2.920   7.199   2.517
  184   HH12  ARG  19          2HH1      ARG  19  -3.746   8.537   3.243
  185   HH21  ARG  19          1HH2      ARG  19  -6.774   6.755   3.648
  186   HH22  ARG  19          2HH2      ARG  19  -6.031   8.281   3.916
  187    H    CYS  20           H        CYS  20  -7.853   2.888   2.680
  188    HA   CYS  20           HA       CYS  20  -9.359   1.173   0.843
  189    HB2  CYS  20           1HB      CYS  20 -10.734   2.415   3.178
  190    HB3  CYS  20           2HB      CYS  20 -11.114   0.949   2.296
  191    H    TRP  21           H        TRP  21 -10.550   2.303  -0.698
  192    HA   TRP  21           HA       TRP  21 -10.740   5.212  -0.301
  193    HD1  TRP  21           1HD      TRP  21 -12.140   5.274  -4.154
  194    HE1  TRP  21           HE1      TRP  21 -12.597   3.539  -6.089
  195    HE3  TRP  21           HE3      TRP  21  -8.660   1.886  -2.649
  196    HZ2  TRP  21           HZ2      TRP  21 -11.477   1.001  -6.758
  197    HZ3  TRP  21           HZ3      TRP  21  -8.406  -0.194  -3.999
  198    HH2  TRP  21           2HH      TRP  21  -9.745  -0.663  -5.990
  199    HB2  TRP  21           1HB      TRP  21 -10.027   5.655  -2.405
  200    HB3  TRP  21           2HB      TRP  21  -9.060   4.236  -2.055
  Start of MODEL    5
    1    HA   ARG   1           HA       ARG   1 -15.557   2.325   1.317
    2    HE   ARG   1           HE       ARG   1 -19.545   2.362  -1.041
    3    H1   ARG   1           1H       ARG   1 -16.851   2.812  -0.527
    4    H2   ARG   1           2H       ARG   1 -15.455   2.041  -0.969
    5    H3   ARG   1           3H       ARG   1 -16.892   1.222  -0.989
    6    HB2  ARG   1           1HB      ARG   1 -17.301   1.137   2.656
    7    HB3  ARG   1           2HB      ARG   1 -18.015   2.331   1.590
    8    HG2  ARG   1           1HG      ARG   1 -17.811  -0.157   0.131
    9    HG3  ARG   1           2HG      ARG   1 -18.530  -0.503   1.691
   10    HD2  ARG   1           1HD      ARG   1 -20.449   0.095   0.517
   11    HD3  ARG   1           2HD      ARG   1 -20.000   1.670   1.141
   12   HH11  ARG   1          1HH1      ARG   1 -19.464  -1.179  -0.954
   13   HH12  ARG   1          2HH1      ARG   1 -19.266  -1.341  -2.667
   14   HH21  ARG   1          1HH2      ARG   1 -19.292   2.150  -3.238
   15   HH22  ARG   1          2HH2      ARG   1 -19.164   0.630  -4.028
   16    H    TRP   2           H        TRP   2 -13.771   1.015  -0.026
   17    HA   TRP   2           HA       TRP   2 -13.602  -1.574   1.260
   18    HD1  TRP   2           HD1      TRP   2 -11.571  -3.265  -2.271
   19    HE1  TRP   2           HE1      TRP   2 -10.552  -2.064  -4.387
   20    HE3  TRP   2           HE3      TRP   2 -14.489   0.888  -1.971
   21    HZ2  TRP   2           HZ2      TRP   2 -11.068   0.433  -5.670
   22    HZ3  TRP   2           HZ3      TRP   2 -14.168   2.660  -3.695
   23    HH2  TRP   2           HH2      TRP   2 -12.528   2.482  -5.498
   24    HB2  TRP   2           1HB      TRP   2 -13.534  -2.906  -0.574
   25    HB3  TRP   2           2HB      TRP   2 -14.737  -1.741  -1.091
   26    H    CYS   3           H        CYS   3 -11.317  -2.397   1.120
   27    HA   CYS   3           HA       CYS   3  -9.460  -0.228   0.472
   28    HB2  CYS   3           1HB      CYS   3  -9.055  -2.081   2.813
   29    HB3  CYS   3           2HB      CYS   3  -8.184  -0.612   2.421
   30    H    VAL   4           H        VAL   4  -7.337  -1.000  -0.261
   31    HA   VAL   4           HA       VAL   4  -7.175  -3.871  -0.756
   32    HB   VAL   4           HB       VAL   4  -6.654  -3.564  -3.071
   33   HG11  VAL   4          1HG1      VAL   4  -8.805  -2.965  -3.938
   34   HG12  VAL   4          2HG1      VAL   4  -9.064  -3.719  -2.347
   35   HG13  VAL   4          3HG1      VAL   4  -9.162  -1.950  -2.520
   36   HG21  VAL   4          3HG2      VAL   4  -6.490  -1.505  -4.202
   37   HG22  VAL   4          1HG2      VAL   4  -7.255  -0.608  -2.869
   38   HG23  VAL   4          2HG2      VAL   4  -5.606  -1.250  -2.679
   39    H    TYR   5           H        TYR   5  -4.975  -4.618  -1.083
   40    HA   TYR   5           HA       TYR   5  -3.066  -2.786   0.155
   41    HD1  TYR   5           HD2      TYR   5  -4.820  -3.703   1.585
   42    HD2  TYR   5           HD1      TYR   5  -3.464  -7.618   0.517
   43    HE1  TYR   5           HE2      TYR   5  -6.730  -4.734   2.908
   44    HE2  TYR   5           HE1      TYR   5  -5.379  -8.635   1.845
   45    HH   TYR   5           HH       TYR   5  -7.151  -6.904   4.065
   46    HB2  TYR   5           1HB      TYR   5  -2.567  -5.692  -0.591
   47    HB3  TYR   5           2HB      TYR   5  -2.031  -4.838   0.842
   48    H    ALA   6           H        ALA   6  -1.138  -2.159  -0.823
   49    HA   ALA   6           HA       ALA   6  -0.441  -3.332  -3.375
   50    HB1  ALA   6           3HB      ALA   6  -0.299  -0.562  -3.866
   51    HB2  ALA   6           1HB      ALA   6  -1.436  -1.722  -4.592
   52    HB3  ALA   6           2HB      ALA   6  -1.897  -0.822  -3.127
   53    H    TYR   7           H        TYR   7   1.748  -2.589  -4.083
   54    HA   TYR   7           HA       TYR   7   3.335  -1.913  -1.712
   55    HD1  TYR   7           HD1      TYR   7   3.360  -4.385  -1.099
   56    HD2  TYR   7           HD2      TYR   7   3.416  -4.886  -5.348
   57    HE1  TYR   7           HE1      TYR   7   2.285  -6.676  -0.851
   58    HE2  TYR   7           HE2      TYR   7   2.342  -7.175  -5.085
   59    HH   TYR   7           HH       TYR   7   0.910  -8.310  -3.429
   60    HB2  TYR   7           1HB      TYR   7   4.260  -2.930  -4.451
   61    HB3  TYR   7           2HB      TYR   7   5.076  -3.141  -2.915
   62    H    VAL   8           H        VAL   8   5.029  -0.336  -1.841
   63    HA   VAL   8           HA       VAL   8   5.024   1.313  -4.248
   64    HB   VAL   8           HB       VAL   8   3.415   2.415  -2.910
   65   HG11  VAL   8          1HG1      VAL   8   3.447   2.709  -0.624
   66   HG12  VAL   8          2HG1      VAL   8   4.322   1.165  -0.766
   67   HG13  VAL   8          3HG1      VAL   8   5.225   2.682  -0.532
   68   HG21  VAL   8          3HG2      VAL   8   4.423   4.570  -2.538
   69   HG22  VAL   8          1HG2      VAL   8   6.040   3.842  -2.378
   70   HG23  VAL   8          2HG2      VAL   8   5.207   3.824  -3.951
   71    H    ARG   9           H        ARG   9   6.944   2.816  -4.273
   72    HA   ARG   9           HA       ARG   9   9.154   1.370  -3.140
   73    HE   ARG   9           HE       ARG   9  10.935   4.889  -7.335
   74    HB2  ARG   9           1HB      ARG   9   9.689   1.857  -5.358
   75    HB3  ARG   9           2HB      ARG   9   8.760   3.342  -5.370
   76    HG2  ARG   9           1HG      ARG   9  10.483   4.573  -4.248
   77    HG3  ARG   9           2HG      ARG   9  11.293   3.117  -3.706
   78    HD2  ARG   9           1HD      ARG   9  12.659   3.420  -5.514
   79    HD3  ARG   9           2HD      ARG   9  11.336   2.760  -6.454
   80   HH11  ARG   9          1HH1      ARG   9  12.876   5.231  -4.390
   81   HH12  ARG   9          2HH1      ARG   9  13.126   6.931  -4.604
   82   HH21  ARG   9          1HH2      ARG   9  11.258   7.071  -7.604
   83   HH22  ARG   9          2HH2      ARG   9  12.169   8.029  -6.508
   84    H    ILE  10           H        ILE  10   9.701   1.969  -1.055
   85    HA   ILE  10           HA       ILE  10   9.920   4.849  -0.551
   86    HB   ILE  10           HB       ILE  10   8.481   2.762   1.033
   87   HG12  ILE  10          1HG1      ILE  10   7.693   4.917  -0.528
   88   HG13  ILE  10          2HG1      ILE  10   6.699   4.028   0.609
   89   HG21  ILE  10          1HG2      ILE  10  10.072   3.464   2.650
   90   HG22  ILE  10          2HG2      ILE  10   9.907   5.172   2.176
   91   HG23  ILE  10          3HG2      ILE  10   8.562   4.342   2.996
   92   HD11  ILE  10          3HD1      ILE  10   7.129   5.599   2.383
   93   HD12  ILE  10          1HD1      ILE  10   8.455   6.362   1.473
   94   HD13  ILE  10          2HD1      ILE  10   6.771   6.571   0.935
   95    H    ARG  11           H        ARG  11  11.884   5.463   0.220
   96    HA   ARG  11           HA       ARG  11  13.916   5.353   0.945
   97    HE   ARG  11           HE       ARG  11  14.560   5.869   6.026
   98    HB2  ARG  11           1HB      ARG  11  12.689   3.046   2.461
   99    HB3  ARG  11           2HB      ARG  11  14.434   3.207   2.507
  100    HG2  ARG  11           1HG      ARG  11  14.036   5.689   3.154
  101    HG3  ARG  11           2HG      ARG  11  12.359   5.248   3.409
  102    HD2  ARG  11           1HD      ARG  11  13.024   3.548   5.087
  103    HD3  ARG  11           2HD      ARG  11  14.719   3.872   4.783
  104   HH11  ARG  11          1HH1      ARG  11  11.316   4.574   5.431
  105   HH12  ARG  11          2HH1      ARG  11  10.544   5.665   6.533
  106   HH21  ARG  11          1HH2      ARG  11  13.565   7.266   7.439
  107   HH22  ARG  11          2HH2      ARG  11  11.872   7.263   7.727
  108    H    GLY  12           H        GLY  12  13.299   4.206  -1.641
  109    HA3  GLY  12           2HA      GLY  12  15.713   2.898  -2.237
  110    H    VAL  13           H        VAL  13  12.716   1.724  -0.884
  111    HA   VAL  13           HA       VAL  13  13.417  -1.006  -1.707
  112    HB   VAL  13           HB       VAL  13  12.363  -0.349   1.026
  113   HG11  VAL  13          1HG1      VAL  13  13.877  -2.662  -0.212
  114   HG12  VAL  13          2HG1      VAL  13  13.668  -2.472   1.545
  115   HG13  VAL  13          3HG1      VAL  13  12.244  -2.661   0.495
  116   HG21  VAL  13          3HG2      VAL  13  15.031  -0.742   1.482
  117   HG22  VAL  13          1HG2      VAL  13  15.067   0.216  -0.018
  118   HG23  VAL  13          2HG2      VAL  13  14.233   0.849   1.422
  119    H    LEU  14           H        LEU  14  11.531  -2.542  -1.469
  120    HA   LEU  14           HA       LEU  14   9.104  -1.103  -2.239
  121    HG   LEU  14           HG       LEU  14   7.659  -3.931  -3.738
  122    HB2  LEU  14           1HB      LEU  14  10.331  -2.922  -3.653
  123    HB3  LEU  14           2HB      LEU  14   9.541  -4.049  -2.570
  124   HD11  LEU  14          1HD1      LEU  14   7.726  -0.905  -3.649
  125   HD12  LEU  14          2HD1      LEU  14   6.315  -1.959  -3.912
  126   HD13  LEU  14          3HD1      LEU  14   7.127  -1.937  -2.328
  127   HD21  LEU  14          3HD2      LEU  14   9.123  -3.755  -5.659
  128   HD22  LEU  14          1HD2      LEU  14   7.641  -2.809  -5.937
  129   HD23  LEU  14          2HD2      LEU  14   9.158  -1.982  -5.509
  130    H    VAL  15           H        VAL  15   7.651  -0.755  -0.655
  131    HA   VAL  15           HA       VAL  15   7.438  -2.840   1.407
  132    HB   VAL  15           HB       VAL  15   6.662   0.007   1.895
  133   HG11  VAL  15          1HG1      VAL  15   6.275  -2.035   3.459
  134   HG12  VAL  15          2HG1      VAL  15   8.013  -1.888   3.811
  135   HG13  VAL  15          3HG1      VAL  15   6.919  -0.527   4.152
  136   HG21  VAL  15          3HG2      VAL  15   8.913   0.170   0.927
  137   HG22  VAL  15          1HG2      VAL  15   8.931   0.542   2.668
  138   HG23  VAL  15          2HG2      VAL  15   9.507  -1.040   2.089
  139    H    ARG  16           H        ARG  16   5.304  -3.380   2.125
  140    HA   ARG  16           HA       ARG  16   3.357  -2.778   0.085
  141    HE   ARG  16           HE       ARG  16   5.000  -7.230   2.728
  142    HB2  ARG  16           1HB      ARG  16   2.799  -4.670   2.375
  143    HB3  ARG  16           2HB      ARG  16   2.276  -4.780   0.706
  144    HG2  ARG  16           1HG      ARG  16   4.760  -5.156   0.091
  145    HG3  ARG  16           2HG      ARG  16   5.062  -5.344   1.807
  146    HD2  ARG  16           1HD      ARG  16   2.767  -6.970   1.110
  147    HD3  ARG  16           2HD      ARG  16   4.048  -7.308  -0.037
  148   HH11  ARG  16          1HH1      ARG  16   3.532  -9.292   0.248
  149   HH12  ARG  16          2HH1      ARG  16   4.084 -10.766   0.971
  150   HH21  ARG  16          1HH2      ARG  16   5.705  -9.123   3.652
  151   HH22  ARG  16          2HH2      ARG  16   5.373 -10.673   2.990
  152    H    TYR  17           H        TYR  17   1.184  -2.012   0.641
  153    HA   TYR  17           HA       TYR  17   0.749  -1.171   3.381
  154    HD1  TYR  17           HD1      TYR  17  -1.308   1.555   0.939
  155    HD2  TYR  17           HD2      TYR  17   2.623   0.291  -0.180
  156    HE1  TYR  17           HE1      TYR  17  -1.788   2.177  -1.480
  157    HE2  TYR  17           HE2      TYR  17   2.130   0.917  -2.594
  158    HH   TYR  17           HH       TYR  17   0.448   2.692  -3.684
  159    HB2  TYR  17           1HB      TYR  17   0.429   1.187   2.628
  160    HB3  TYR  17           2HB      TYR  17   2.039   0.667   2.169
  161    H    ARG  18           H        ARG  18  -1.511  -0.088   3.551
  162    HA   ARG  18           HA       ARG  18  -3.229  -1.259   1.516
  163    HE   ARG  18           HE       ARG  18  -4.915  -3.352   5.365
  164    HB2  ARG  18           1HB      ARG  18  -3.873  -1.159   4.504
  165    HB3  ARG  18           2HB      ARG  18  -4.830  -1.936   3.259
  166    HG2  ARG  18           1HG      ARG  18  -3.535  -3.814   3.277
  167    HG3  ARG  18           2HG      ARG  18  -2.045  -2.891   3.236
  168    HD2  ARG  18           1HD      ARG  18  -2.180  -4.180   5.338
  169    HD3  ARG  18           2HD      ARG  18  -2.224  -2.463   5.688
  170   HH11  ARG  18          1HH1      ARG  18  -2.211  -3.778   7.614
  171   HH12  ARG  18          2HH1      ARG  18  -3.232  -4.091   8.978
  172   HH21  ARG  18          1HH2      ARG  18  -6.221  -3.755   7.117
  173   HH22  ARG  18          2HH2      ARG  18  -5.611  -4.079   8.690
  174    H    ARG  19           H        ARG  19  -4.854   0.125   0.761
  175    HA   ARG  19           HA       ARG  19  -5.202   2.572   2.297
  176    HE   ARG  19           HE       ARG  19  -5.176   5.467   0.714
  177    HB2  ARG  19           1HB      ARG  19  -4.851   2.199  -0.705
  178    HB3  ARG  19           2HB      ARG  19  -5.645   3.626  -0.070
  179    HG2  ARG  19           1HG      ARG  19  -3.445   3.643   1.525
  180    HG3  ARG  19           2HG      ARG  19  -2.765   2.796   0.150
  181    HD2  ARG  19           1HD      ARG  19  -2.383   5.175  -0.189
  182    HD3  ARG  19           2HD      ARG  19  -3.587   4.663  -1.354
  183   HH11  ARG  19          1HH1      ARG  19  -2.404   7.041  -0.834
  184   HH12  ARG  19          2HH1      ARG  19  -2.971   8.644  -0.502
  185   HH21  ARG  19          1HH2      ARG  19  -5.898   7.524   1.139
  186   HH22  ARG  19          2HH2      ARG  19  -5.042   8.937   0.668
  187    H    CYS  20           H        CYS  20  -7.362   3.692   1.791
  188    HA   CYS  20           HA       CYS  20  -9.353   1.669   1.059
  189    HB2  CYS  20           1HB      CYS  20  -9.549   3.838   3.158
  190    HB3  CYS  20           2HB      CYS  20 -10.900   2.864   2.611
  191    H    TRP  21           H        TRP  21 -11.339   2.613   0.026
  192    HA   TRP  21           HA       TRP  21 -10.630   4.523  -1.929
  193    HD1  TRP  21           1HD      TRP  21 -15.141   4.288  -3.066
  194    HE1  TRP  21           HE1      TRP  21 -17.121   4.804  -1.399
  195    HE3  TRP  21           HE3      TRP  21 -12.432   3.628   1.186
  196    HZ2  TRP  21           HZ2      TRP  21 -17.327   4.877   1.446
  197    HZ3  TRP  21           HZ3      TRP  21 -13.598   3.941   3.367
  198    HH2  TRP  21           2HH      TRP  21 -15.961   4.544   3.539
  199    HB2  TRP  21           1HB      TRP  21 -12.536   3.918  -2.944
  200    HB3  TRP  21           2HB      TRP  21 -12.423   2.558  -1.843
  Start of MODEL    6
    1    HA   ARG   1           HA       ARG   1 -15.531   2.331   1.304
    2    HE   ARG   1           HE       ARG   1 -20.571   2.292   1.634
    3    H1   ARG   1           1H       ARG   1 -16.864   2.797  -0.517
    4    H2   ARG   1           2H       ARG   1 -15.479   2.018  -0.979
    5    H3   ARG   1           3H       ARG   1 -16.917   1.202  -0.959
    6    HB2  ARG   1           1HB      ARG   1 -17.247   1.186   2.700
    7    HB3  ARG   1           2HB      ARG   1 -17.994   2.335   1.609
    8    HG2  ARG   1           1HG      ARG   1 -17.741  -0.284   0.322
    9    HG3  ARG   1           2HG      ARG   1 -18.588  -0.430   1.849
   10    HD2  ARG   1           1HD      ARG   1 -19.320   1.665  -0.249
   11    HD3  ARG   1           2HD      ARG   1 -20.057   0.076  -0.198
   12   HH11  ARG   1          1HH1      ARG   1 -20.661  -1.235   1.311
   13   HH12  ARG   1          2HH1      ARG   1 -21.856  -1.442   2.548
   14   HH21  ARG   1          1HH2      ARG   1 -22.104   2.022   3.219
   15   HH22  ARG   1          2HH2      ARG   1 -22.716   0.485   3.683
   16    H    TRP   2           H        TRP   2 -13.757   1.015  -0.018
   17    HA   TRP   2           HA       TRP   2 -13.588  -1.574   1.268
   18    HD1  TRP   2           HD1      TRP   2 -11.547  -3.259  -2.253
   19    HE1  TRP   2           HE1      TRP   2 -10.533  -2.061  -4.374
   20    HE3  TRP   2           HE3      TRP   2 -14.492   0.877  -1.976
   21    HZ2  TRP   2           HZ2      TRP   2 -11.063   0.426  -5.668
   22    HZ3  TRP   2           HZ3      TRP   2 -14.180   2.643  -3.707
   23    HH2  TRP   2           HH2      TRP   2 -12.536   2.467  -5.508
   24    HB2  TRP   2           1HB      TRP   2 -13.520  -2.906  -0.565
   25    HB3  TRP   2           2HB      TRP   2 -14.724  -1.741  -1.081
   26    H    CYS   3           H        CYS   3 -11.304  -2.398   1.130
   27    HA   CYS   3           HA       CYS   3  -9.445  -0.232   0.478
   28    HB2  CYS   3           1HB      CYS   3  -9.040  -2.077   2.824
   29    HB3  CYS   3           2HB      CYS   3  -8.171  -0.607   2.428
   30    H    VAL   4           H        VAL   4  -7.336  -1.000  -0.276
   31    HA   VAL   4           HA       VAL   4  -7.172  -3.876  -0.755
   32    HB   VAL   4           HB       VAL   4  -6.643  -3.568  -3.071
   33   HG11  VAL   4          1HG1      VAL   4  -9.151  -1.941  -2.595
   34   HG12  VAL   4          2HG1      VAL   4  -8.793  -3.064  -3.929
   35   HG13  VAL   4          3HG1      VAL   4  -9.068  -3.692  -2.286
   36   HG21  VAL   4          3HG2      VAL   4  -5.610  -1.248  -2.681
   37   HG22  VAL   4          1HG2      VAL   4  -6.496  -1.508  -4.203
   38   HG23  VAL   4          2HG2      VAL   4  -7.264  -0.616  -2.867
   39    H    TYR   5           H        TYR   5  -4.969  -4.622  -1.100
   40    HA   TYR   5           HA       TYR   5  -3.060  -2.798   0.152
   41    HD1  TYR   5           HD2      TYR   5  -4.814  -3.727   1.568
   42    HD2  TYR   5           HD1      TYR   5  -3.446  -7.633   0.485
   43    HE1  TYR   5           HE2      TYR   5  -6.719  -4.768   2.890
   44    HE2  TYR   5           HE1      TYR   5  -5.356  -8.662   1.811
   45    HH   TYR   5           HH       TYR   5  -7.848  -7.613   2.485
   46    HB2  TYR   5           1HB      TYR   5  -2.562  -5.698  -0.622
   47    HB3  TYR   5           2HB      TYR   5  -2.020  -4.857   0.817
   48    H    ALA   6           H        ALA   6  -1.132  -2.162  -0.823
   49    HA   ALA   6           HA       ALA   6  -0.440  -3.310  -3.388
   50    HB1  ALA   6           3HB      ALA   6  -1.358  -0.442  -3.006
   51    HB2  ALA   6           1HB      ALA   6  -0.323  -0.941  -4.366
   52    HB3  ALA   6           2HB      ALA   6  -1.948  -1.644  -4.179
   53    H    TYR   7           H        TYR   7   1.750  -2.571  -4.088
   54    HA   TYR   7           HA       TYR   7   3.339  -1.909  -1.714
   55    HD1  TYR   7           HD2      TYR   7   3.346  -4.375  -1.110
   56    HD2  TYR   7           HD1      TYR   7   3.426  -4.878  -5.358
   57    HE1  TYR   7           HE2      TYR   7   2.269  -6.664  -0.866
   58    HE2  TYR   7           HE1      TYR   7   2.349  -7.166  -5.100
   59    HH   TYR   7           HH       TYR   7   0.744  -8.189  -3.150
   60    HB2  TYR   7           1HB      TYR   7   4.259  -2.919  -4.458
   61    HB3  TYR   7           2HB      TYR   7   5.077  -3.136  -2.924
   62    H    VAL   8           H        VAL   8   5.011  -0.319  -1.821
   63    HA   VAL   8           HA       VAL   8   5.015   1.335  -4.227
   64    HB   VAL   8           HB       VAL   8   3.413   2.433  -2.878
   65   HG11  VAL   8          1HG1      VAL   8   4.319   1.168  -0.745
   66   HG12  VAL   8          2HG1      VAL   8   5.230   2.678  -0.503
   67   HG13  VAL   8          3HG1      VAL   8   3.453   2.715  -0.590
   68   HG21  VAL   8          3HG2      VAL   8   6.090   3.802  -2.445
   69   HG22  VAL   8          1HG2      VAL   8   5.094   3.897  -3.918
   70   HG23  VAL   8          2HG2      VAL   8   4.490   4.580  -2.389
   71    H    ARG   9           H        ARG   9   6.940   2.825  -4.261
   72    HA   ARG   9           HA       ARG   9   9.149   1.373  -3.130
   73    HE   ARG   9           HE       ARG   9  12.082   1.381  -4.910
   74    HB2  ARG   9           1HB      ARG   9   9.656   1.854  -5.362
   75    HB3  ARG   9           2HB      ARG   9   8.764   3.363  -5.354
   76    HG2  ARG   9           1HG      ARG   9  10.537   4.577  -4.404
   77    HG3  ARG   9           2HG      ARG   9  11.223   3.170  -3.616
   78    HD2  ARG   9           1HD      ARG   9  11.175   3.380  -6.652
   79    HD3  ARG   9           2HD      ARG   9  12.449   4.143  -5.722
   80   HH11  ARG   9          1HH1      ARG   9  13.547   3.402  -7.424
   81   HH12  ARG   9          2HH1      ARG   9  14.747   2.227  -7.844
   82   HH21  ARG   9          1HH2      ARG   9  13.623  -0.124  -5.451
   83   HH22  ARG   9          2HH2      ARG   9  14.799   0.133  -6.678
   84    H    ILE  10           H        ILE  10   9.708   1.977  -1.050
   85    HA   ILE  10           HA       ILE  10   9.938   4.857  -0.555
   86    HB   ILE  10           HB       ILE  10   8.561   2.770   1.105
   87   HG12  ILE  10          1HG1      ILE  10   7.660   4.788  -0.590
   88   HG13  ILE  10          2HG1      ILE  10   6.711   3.882   0.571
   89   HG21  ILE  10          1HG2      ILE  10   8.539   4.501   2.949
   90   HG22  ILE  10          2HG2      ILE  10  10.088   3.666   2.678
   91   HG23  ILE  10          3HG2      ILE  10   9.853   5.325   2.076
   92   HD11  ILE  10          3HD1      ILE  10   6.617   6.446   0.774
   93   HD12  ILE  10          1HD1      ILE  10   6.981   5.556   2.272
   94   HD13  ILE  10          2HD1      ILE  10   8.291   6.358   1.374
   95    H    ARG  11           H        ARG  11  11.908   5.464   0.207
   96    HA   ARG  11           HA       ARG  11  13.940   5.347   0.929
   97    HE   ARG  11           HE       ARG  11  14.098   3.766   6.302
   98    HB2  ARG  11           1HB      ARG  11  12.667   3.103   2.477
   99    HB3  ARG  11           2HB      ARG  11  14.419   3.145   2.473
  100    HG2  ARG  11           1HG      ARG  11  14.521   5.194   3.607
  101    HG3  ARG  11           2HG      ARG  11  12.965   5.731   3.006
  102    HD2  ARG  11           1HD      ARG  11  11.910   4.928   4.853
  103    HD3  ARG  11           2HD      ARG  11  12.577   3.328   4.595
  104   HH11  ARG  11          1HH1      ARG  11  13.103   6.865   4.901
  105   HH12  ARG  11          2HH1      ARG  11  14.027   7.809   6.021
  106   HH21  ARG  11          1HH2      ARG  11  15.281   4.981   7.737
  107   HH22  ARG  11          2HH2      ARG  11  15.320   6.699   7.706
  108    H    GLY  12           H        GLY  12  13.311   4.195  -1.652
  109    HA3  GLY  12           2HA      GLY  12  15.719   2.875  -2.249
  110    H    VAL  13           H        VAL  13  12.724   1.719  -0.882
  111    HA   VAL  13           HA       VAL  13  13.409  -1.017  -1.701
  112    HB   VAL  13           HB       VAL  13  12.353  -0.351   1.029
  113   HG11  VAL  13          1HG1      VAL  13  13.362  -2.714  -0.397
  114   HG12  VAL  13          2HG1      VAL  13  14.084  -2.491   1.215
  115   HG13  VAL  13          3HG1      VAL  13  12.316  -2.598   1.039
  116   HG21  VAL  13          3HG2      VAL  13  15.016  -0.738   1.499
  117   HG22  VAL  13          1HG2      VAL  13  15.063   0.204  -0.011
  118   HG23  VAL  13          2HG2      VAL  13  14.222   0.853   1.418
  119    H    LEU  14           H        LEU  14  11.515  -2.544  -1.463
  120    HA   LEU  14           HA       LEU  14   9.094  -1.094  -2.231
  121    HG   LEU  14           HG       LEU  14   7.640  -3.910  -3.741
  122    HB2  LEU  14           1HB      LEU  14  10.316  -2.913  -3.651
  123    HB3  LEU  14           2HB      LEU  14   9.520  -4.041  -2.572
  124   HD11  LEU  14          1HD1      LEU  14   7.116  -1.918  -2.325
  125   HD12  LEU  14          2HD1      LEU  14   7.720  -0.885  -3.643
  126   HD13  LEU  14          3HD1      LEU  14   6.304  -1.932  -3.909
  127   HD21  LEU  14          3HD2      LEU  14   9.112  -3.731  -5.658
  128   HD22  LEU  14          1HD2      LEU  14   7.628  -2.790  -5.937
  129   HD23  LEU  14          2HD2      LEU  14   9.142  -1.958  -5.506
  130    H    VAL  15           H        VAL  15   7.638  -0.750  -0.649
  131    HA   VAL  15           HA       VAL  15   7.423  -2.838   1.409
  132    HB   VAL  15           HB       VAL  15   6.644   0.005   1.907
  133   HG11  VAL  15          1HG1      VAL  15   6.496  -2.250   3.422
  134   HG12  VAL  15          2HG1      VAL  15   8.080  -1.615   3.930
  135   HG13  VAL  15          3HG1      VAL  15   6.624  -0.604   4.086
  136   HG21  VAL  15          3HG2      VAL  15   8.857   0.271   0.968
  137   HG22  VAL  15          1HG2      VAL  15   8.951   0.473   2.734
  138   HG23  VAL  15          2HG2      VAL  15   9.492  -1.047   1.983
  139    H    ARG  16           H        ARG  16   5.291  -3.385   2.120
  140    HA   ARG  16           HA       ARG  16   3.344  -2.774   0.082
  141    HE   ARG  16           HE       ARG  16   4.975  -7.232   2.715
  142    HB2  ARG  16           1HB      ARG  16   2.785  -4.675   2.364
  143    HB3  ARG  16           2HB      ARG  16   2.262  -4.777   0.695
  144    HG2  ARG  16           1HG      ARG  16   4.745  -5.152   0.078
  145    HG3  ARG  16           2HG      ARG  16   5.048  -5.346   1.793
  146    HD2  ARG  16           1HD      ARG  16   2.753  -6.969   1.085
  147    HD3  ARG  16           2HD      ARG  16   4.040  -7.305  -0.056
  148   HH11  ARG  16          1HH1      ARG  16   3.524  -9.289   0.222
  149   HH12  ARG  16          2HH1      ARG  16   4.072 -10.765   0.946
  150   HH21  ARG  16          1HH2      ARG  16   5.676  -9.127   3.640
  151   HH22  ARG  16          2HH2      ARG  16   5.348 -10.676   2.972
  152    H    TYR  17           H        TYR  17   1.171  -2.010   0.641
  153    HA   TYR  17           HA       TYR  17   0.734  -1.180   3.385
  154    HD1  TYR  17           HD2      TYR  17   2.620   0.291  -0.161
  155    HD2  TYR  17           HD1      TYR  17  -1.316   1.555   0.939
  156    HE1  TYR  17           HE2      TYR  17   2.140   0.923  -2.577
  157    HE2  TYR  17           HE1      TYR  17  -1.783   2.183  -1.481
  158    HH   TYR  17           HH       TYR  17  -0.881   2.525  -3.454
  159    HB2  TYR  17           1HB      TYR  17   0.410   1.181   2.636
  160    HB3  TYR  17           2HB      TYR  17   2.023   0.664   2.186
  161    H    ARG  18           H        ARG  18  -1.525  -0.099   3.558
  162    HA   ARG  18           HA       ARG  18  -3.243  -1.267   1.522
  163    HE   ARG  18           HE       ARG  18  -5.360  -3.266   4.799
  164    HB2  ARG  18           1HB      ARG  18  -3.884  -1.164   4.510
  165    HB3  ARG  18           2HB      ARG  18  -4.847  -1.936   3.266
  166    HG2  ARG  18           1HG      ARG  18  -3.310  -3.708   2.974
  167    HG3  ARG  18           2HG      ARG  18  -1.964  -2.786   3.615
  168    HD2  ARG  18           1HD      ARG  18  -3.034  -4.658   5.117
  169    HD3  ARG  18           2HD      ARG  18  -2.612  -3.128   5.860
  170   HH11  ARG  18          1HH1      ARG  18  -3.276  -3.694   7.633
  171   HH12  ARG  18          2HH1      ARG  18  -4.577  -3.543   8.766
  172   HH21  ARG  18          1HH2      ARG  18  -7.026  -3.073   6.257
  173   HH22  ARG  18          2HH2      ARG  18  -6.803  -3.175   7.958
  174    H    ARG  19           H        ARG  19  -4.857   0.122   0.756
  175    HA   ARG  19           HA       ARG  19  -5.208   2.570   2.291
  176    HE   ARG  19           HE       ARG  19  -5.176   5.463   0.705
  177    HB2  ARG  19           1HB      ARG  19  -4.851   2.192  -0.710
  178    HB3  ARG  19           2HB      ARG  19  -5.647   3.620  -0.078
  179    HG2  ARG  19           1HG      ARG  19  -3.450   3.639   1.521
  180    HG3  ARG  19           2HG      ARG  19  -2.767   2.789   0.148
  181    HD2  ARG  19           1HD      ARG  19  -2.383   5.168  -0.194
  182    HD3  ARG  19           2HD      ARG  19  -3.586   4.654  -1.361
  183   HH11  ARG  19          1HH1      ARG  19  -2.406   7.032  -0.849
  184   HH12  ARG  19          2HH1      ARG  19  -2.973   8.636  -0.521
  185   HH21  ARG  19          1HH2      ARG  19  -5.899   7.521   1.123
  186   HH22  ARG  19          2HH2      ARG  19  -5.044   8.933   0.647
  187    H    CYS  20           H        CYS  20  -7.365   3.691   1.783
  188    HA   CYS  20           HA       CYS  20  -9.358   1.670   1.048
  189    HB2  CYS  20           1HB      CYS  20  -9.563   3.842   3.142
  190    HB3  CYS  20           2HB      CYS  20 -10.905   2.855   2.600
  191    H    TRP  21           H        TRP  21 -11.337   2.612   0.006
  192    HA   TRP  21           HA       TRP  21 -10.625   4.526  -1.942
  193    HD1  TRP  21           1HD      TRP  21 -15.128   4.293  -3.098
  194    HE1  TRP  21           HE1      TRP  21 -17.117   4.802  -1.440
  195    HE3  TRP  21           HE3      TRP  21 -12.440   3.617   1.164
  196    HZ2  TRP  21           HZ2      TRP  21 -17.337   4.865   1.405
  197    HZ3  TRP  21           HZ3      TRP  21 -13.617   3.922   3.340
  198    HH2  TRP  21           2HH      TRP  21 -15.980   4.524   3.503
  199    HB2  TRP  21           1HB      TRP  21 -12.525   3.919  -2.965
  200    HB3  TRP  21           2HB      TRP  21 -12.415   2.559  -1.866
  Start of MODEL    7
    1    HA   ARG   1           HA       ARG   1 -15.531   2.333   1.320
    2    HE   ARG   1           HE       ARG   1 -19.398   2.583  -0.495
    3    H1   ARG   1           1H       ARG   1 -16.858   2.799  -0.506
    4    H2   ARG   1           2H       ARG   1 -15.471   2.024  -0.964
    5    H3   ARG   1           3H       ARG   1 -16.908   1.205  -0.950
    6    HB2  ARG   1           1HB      ARG   1 -17.251   1.218   2.714
    7    HB3  ARG   1           2HB      ARG   1 -18.012   2.323   1.586
    8    HG2  ARG   1           1HG      ARG   1 -17.747  -0.250   0.288
    9    HG3  ARG   1           2HG      ARG   1 -18.453  -0.507   1.872
   10    HD2  ARG   1           1HD      ARG   1 -20.283  -0.097   0.332
   11    HD3  ARG   1           2HD      ARG   1 -20.144   1.320   1.355
   12   HH11  ARG   1          1HH1      ARG   1 -19.468  -0.857  -1.341
   13   HH12  ARG   1          2HH1      ARG   1 -19.229  -0.573  -3.033
   14   HH21  ARG   1          1HH2      ARG   1 -19.091   2.943  -2.666
   15   HH22  ARG   1          2HH2      ARG   1 -19.005   1.678  -3.825
   16    H    TRP   2           H        TRP   2 -13.757   1.017  -0.013
   17    HA   TRP   2           HA       TRP   2 -13.580  -1.567   1.281
   18    HD1  TRP   2           HD1      TRP   2 -11.562  -3.268  -2.251
   19    HE1  TRP   2           HE1      TRP   2 -10.554  -2.074  -4.377
   20    HE3  TRP   2           HE3      TRP   2 -14.487   0.880  -1.957
   21    HZ2  TRP   2           HZ2      TRP   2 -11.081   0.415  -5.669
   22    HZ3  TRP   2           HZ3      TRP   2 -14.178   2.645  -3.690
   23    HH2  TRP   2           HH2      TRP   2 -12.545   2.462  -5.500
   24    HB2  TRP   2           1HB      TRP   2 -13.519  -2.906  -0.548
   25    HB3  TRP   2           2HB      TRP   2 -14.725  -1.744  -1.063
   26    H    CYS   3           H        CYS   3 -11.296  -2.387   1.139
   27    HA   CYS   3           HA       CYS   3  -9.443  -0.219   0.475
   28    HB2  CYS   3           1HB      CYS   3  -9.020  -2.066   2.816
   29    HB3  CYS   3           2HB      CYS   3  -8.160  -0.592   2.419
   30    H    VAL   4           H        VAL   4  -7.338  -0.983  -0.292
   31    HA   VAL   4           HA       VAL   4  -7.181  -3.858  -0.787
   32    HB   VAL   4           HB       VAL   4  -6.641  -3.531  -3.097
   33   HG11  VAL   4          1HG1      VAL   4  -9.150  -1.919  -2.550
   34   HG12  VAL   4          2HG1      VAL   4  -8.786  -2.929  -3.970
   35   HG13  VAL   4          3HG1      VAL   4  -9.056  -3.689  -2.382
   36   HG21  VAL   4          3HG2      VAL   4  -5.592  -1.224  -2.681
   37   HG22  VAL   4          1HG2      VAL   4  -6.475  -1.461  -4.208
   38   HG23  VAL   4          2HG2      VAL   4  -7.240  -0.577  -2.866
   39    H    TYR   5           H        TYR   5  -4.984  -4.616  -1.121
   40    HA   TYR   5           HA       TYR   5  -3.066  -2.806   0.140
   41    HD1  TYR   5           HD2      TYR   5  -4.834  -3.709   1.560
   42    HD2  TYR   5           HD1      TYR   5  -3.508  -7.634   0.494
   43    HE1  TYR   5           HE2      TYR   5  -6.758  -4.724   2.875
   44    HE2  TYR   5           HE1      TYR   5  -5.437  -8.636   1.813
   45    HH   TYR   5           HH       TYR   5  -7.994  -7.371   2.502
   46    HB2  TYR   5           1HB      TYR   5  -2.591  -5.715  -0.609
   47    HB3  TYR   5           2HB      TYR   5  -2.051  -4.869   0.827
   48    H    ALA   6           H        ALA   6  -1.145  -2.172  -0.837
   49    HA   ALA   6           HA       ALA   6  -0.430  -3.357  -3.378
   50    HB1  ALA   6           3HB      ALA   6  -0.278  -0.621  -3.932
   51    HB2  ALA   6           1HB      ALA   6  -1.475  -1.765  -4.584
   52    HB3  ALA   6           2HB      ALA   6  -1.856  -0.812  -3.130
   53    H    TYR   7           H        TYR   7   1.761  -2.609  -4.078
   54    HA   TYR   7           HA       TYR   7   3.334  -1.922  -1.701
   55    HD1  TYR   7           HD2      TYR   7   3.371  -4.408  -1.093
   56    HD2  TYR   7           HD1      TYR   7   3.430  -4.880  -5.345
   57    HE1  TYR   7           HE2      TYR   7   2.299  -6.702  -0.861
   58    HE2  TYR   7           HE1      TYR   7   2.358  -7.172  -5.098
   59    HH   TYR   7           HH       TYR   7   1.690  -8.706  -3.730
   60    HB2  TYR   7           1HB      TYR   7   4.281  -2.934  -4.434
   61    HB3  TYR   7           2HB      TYR   7   5.082  -3.148  -2.890
   62    H    VAL   8           H        VAL   8   5.019  -0.337  -1.822
   63    HA   VAL   8           HA       VAL   8   5.012   1.314  -4.229
   64    HB   VAL   8           HB       VAL   8   3.405   2.411  -2.884
   65   HG11  VAL   8          1HG1      VAL   8   3.434   2.685  -0.599
   66   HG12  VAL   8          2HG1      VAL   8   4.332   1.155  -0.746
   67   HG13  VAL   8          3HG1      VAL   8   5.211   2.684  -0.508
   68   HG21  VAL   8          3HG2      VAL   8   5.155   3.843  -3.927
   69   HG22  VAL   8          1HG2      VAL   8   4.432   4.565  -2.469
   70   HG23  VAL   8          2HG2      VAL   8   6.047   3.822  -2.387
   71    H    ARG   9           H        ARG   9   6.929   2.818  -4.259
   72    HA   ARG   9           HA       ARG   9   9.144   1.373  -3.132
   73    HE   ARG   9           HE       ARG   9  10.611   5.458  -6.163
   74    HB2  ARG   9           1HB      ARG   9   9.645   1.864  -5.364
   75    HB3  ARG   9           2HB      ARG   9   8.753   3.371  -5.348
   76    HG2  ARG   9           1HG      ARG   9  10.517   4.533  -4.191
   77    HG3  ARG   9           2HG      ARG   9  11.315   3.039  -3.740
   78    HD2  ARG   9           1HD      ARG   9  12.644   3.521  -5.560
   79    HD3  ARG   9           2HD      ARG   9  11.355   2.735  -6.449
   80   HH11  ARG   9          1HH1      ARG   9  13.150   3.578  -7.766
   81   HH12  ARG   9          2HH1      ARG   9  13.381   4.737  -9.032
   82   HH21  ARG   9          1HH2      ARG   9  10.911   6.942  -7.789
   83   HH22  ARG   9          2HH2      ARG   9  12.057   6.734  -9.052
   84    H    ILE  10           H        ILE  10   9.696   1.973  -1.048
   85    HA   ILE  10           HA       ILE  10   9.913   4.853  -0.545
   86    HB   ILE  10           HB       ILE  10   8.576   2.752   1.138
   87   HG12  ILE  10          1HG1      ILE  10   7.737   5.051  -0.444
   88   HG13  ILE  10          2HG1      ILE  10   6.796   3.714   0.188
   89   HG21  ILE  10          1HG2      ILE  10   8.566   4.294   3.018
   90   HG22  ILE  10          2HG2      ILE  10  10.235   3.882   2.558
   91   HG23  ILE  10          3HG2      ILE  10   9.548   5.458   2.097
   92   HD11  ILE  10          3HD1      ILE  10   6.050   5.866   1.166
   93   HD12  ILE  10          1HD1      ILE  10   6.720   4.800   2.424
   94   HD13  ILE  10          2HD1      ILE  10   7.690   6.153   1.795
   95    H    ARG  11           H        ARG  11  11.881   5.468   0.217
   96    HA   ARG  11           HA       ARG  11  13.914   5.359   0.937
   97    HE   ARG  11           HE       ARG  11  11.713   5.481   5.157
   98    HB2  ARG  11           1HB      ARG  11  12.670   3.082   2.471
   99    HB3  ARG  11           2HB      ARG  11  14.420   3.183   2.488
  100    HG2  ARG  11           1HG      ARG  11  14.277   5.552   3.280
  101    HG3  ARG  11           2HG      ARG  11  12.528   5.456   3.259
  102    HD2  ARG  11           1HD      ARG  11  13.386   3.194   4.764
  103    HD3  ARG  11           2HD      ARG  11  14.393   4.522   5.307
  104   HH11  ARG  11          1HH1      ARG  11  13.620   3.179   7.059
  105   HH12  ARG  11          2HH1      ARG  11  12.630   3.336   8.471
  106   HH21  ARG  11          1HH2      ARG  11  10.445   5.678   6.970
  107   HH22  ARG  11          2HH2      ARG  11  10.746   4.816   8.426
  108    H    GLY  12           H        GLY  12  13.289   4.208  -1.645
  109    HA3  GLY  12           2HA      GLY  12  15.703   2.900  -2.246
  110    H    VAL  13           H        VAL  13  12.712   1.728  -0.881
  111    HA   VAL  13           HA       VAL  13  13.410  -1.003  -1.705
  112    HB   VAL  13           HB       VAL  13  12.358  -0.345   1.029
  113   HG11  VAL  13          1HG1      VAL  13  13.510  -2.694  -0.379
  114   HG12  VAL  13          2HG1      VAL  13  14.001  -2.474   1.318
  115   HG13  VAL  13          3HG1      VAL  13  12.276  -2.610   0.901
  116   HG21  VAL  13          3HG2      VAL  13  14.226   0.863   1.413
  117   HG22  VAL  13          1HG2      VAL  13  15.022  -0.728   1.492
  118   HG23  VAL  13          2HG2      VAL  13  15.065   0.215  -0.017
  119    H    LEU  14           H        LEU  14  11.524  -2.539  -1.464
  120    HA   LEU  14           HA       LEU  14   9.096  -1.101  -2.232
  121    HG   LEU  14           HG       LEU  14   7.651  -3.930  -3.729
  122    HB2  LEU  14           1HB      LEU  14  10.322  -2.920  -3.646
  123    HB3  LEU  14           2HB      LEU  14   9.532  -4.047  -2.561
  124   HD11  LEU  14          1HD1      LEU  14   7.715  -0.904  -3.640
  125   HD12  LEU  14          2HD1      LEU  14   6.305  -1.958  -3.900
  126   HD13  LEU  14          3HD1      LEU  14   7.119  -1.936  -2.318
  127   HD21  LEU  14          3HD2      LEU  14   9.113  -3.752  -5.651
  128   HD22  LEU  14          1HD2      LEU  14   7.630  -2.808  -5.927
  129   HD23  LEU  14          2HD2      LEU  14   9.146  -1.978  -5.501
  130    H    VAL  15           H        VAL  15   7.646  -0.751  -0.645
  131    HA   VAL  15           HA       VAL  15   7.438  -2.834   1.420
  132    HB   VAL  15           HB       VAL  15   6.654   0.012   1.902
  133   HG11  VAL  15          1HG1      VAL  15   6.054  -1.476   3.646
  134   HG12  VAL  15          2HG1      VAL  15   7.629  -2.303   3.592
  135   HG13  VAL  15          3HG1      VAL  15   7.518  -0.639   4.214
  136   HG21  VAL  15          3HG2      VAL  15   8.939   0.522   2.702
  137   HG22  VAL  15          1HG2      VAL  15   9.502  -1.035   2.049
  138   HG23  VAL  15          2HG2      VAL  15   8.887   0.222   0.948
  139    H    ARG  16           H        ARG  16   5.311  -3.392   2.129
  140    HA   ARG  16           HA       ARG  16   3.360  -2.800   0.091
  141    HE   ARG  16           HE       ARG  16   5.002  -7.052  -0.800
  142    HB2  ARG  16           1HB      ARG  16   2.806  -4.680   2.393
  143    HB3  ARG  16           2HB      ARG  16   2.284  -4.801   0.724
  144    HG2  ARG  16           1HG      ARG  16   4.761  -5.182   0.107
  145    HG3  ARG  16           2HG      ARG  16   5.077  -5.340   1.824
  146    HD2  ARG  16           1HD      ARG  16   4.253  -7.464   1.869
  147    HD3  ARG  16           2HD      ARG  16   2.775  -6.983   1.060
  148   HH11  ARG  16          1HH1      ARG  16   2.684  -9.134   0.888
  149   HH12  ARG  16          2HH1      ARG  16   2.763 -10.394  -0.298
  150   HH21  ARG  16          1HH2      ARG  16   5.100  -8.671  -2.319
  151   HH22  ARG  16          2HH2      ARG  16   4.193 -10.125  -2.202
  152    H    TYR  17           H        TYR  17   1.191  -2.025   0.636
  153    HA   TYR  17           HA       TYR  17   0.744  -1.178   3.372
  154    HD1  TYR  17           HD1      TYR  17  -1.307   1.547   0.936
  155    HD2  TYR  17           HD2      TYR  17   2.619   0.281  -0.197
  156    HE1  TYR  17           HE1      TYR  17  -1.796   2.171  -1.480
  157    HE2  TYR  17           HE2      TYR  17   2.117   0.909  -2.609
  158    HH   TYR  17           HH       TYR  17  -0.744   2.680  -3.453
  159    HB2  TYR  17           1HB      TYR  17   0.439   1.179   2.618
  160    HB3  TYR  17           2HB      TYR  17   2.044   0.653   2.153
  161    H    ARG  18           H        ARG  18  -1.515  -0.083   3.523
  162    HA   ARG  18           HA       ARG  18  -3.225  -1.248   1.480
  163    HE   ARG  18           HE       ARG  18  -5.523  -3.631   3.952
  164    HB2  ARG  18           1HB      ARG  18  -3.848  -1.188   4.475
  165    HB3  ARG  18           2HB      ARG  18  -4.844  -1.912   3.228
  166    HG2  ARG  18           1HG      ARG  18  -3.110  -3.583   2.730
  167    HG3  ARG  18           2HG      ARG  18  -1.982  -2.798   3.816
  168    HD2  ARG  18           1HD      ARG  18  -3.227  -4.873   4.735
  169    HD3  ARG  18           2HD      ARG  18  -3.199  -3.455   5.763
  170   HH11  ARG  18          1HH1      ARG  18  -4.250  -4.310   7.188
  171   HH12  ARG  18          2HH1      ARG  18  -5.817  -4.426   7.916
  172   HH21  ARG  18          1HH2      ARG  18  -7.532  -3.781   4.890
  173   HH22  ARG  18          2HH2      ARG  18  -7.768  -4.113   6.559
  174    H    ARG  19           H        ARG  19  -4.855   0.139   0.736
  175    HA   ARG  19           HA       ARG  19  -5.203   2.576   2.290
  176    HE   ARG  19           HE       ARG  19  -5.177   5.482   0.731
  177    HB2  ARG  19           1HB      ARG  19  -4.852   2.223  -0.716
  178    HB3  ARG  19           2HB      ARG  19  -5.648   3.644  -0.070
  179    HG2  ARG  19           1HG      ARG  19  -3.447   3.652   1.524
  180    HG3  ARG  19           2HG      ARG  19  -2.767   2.816   0.142
  181    HD2  ARG  19           1HD      ARG  19  -2.387   5.197  -0.182
  182    HD3  ARG  19           2HD      ARG  19  -3.594   4.693  -1.348
  183   HH11  ARG  19          1HH1      ARG  19  -2.411   7.067  -0.817
  184   HH12  ARG  19          2HH1      ARG  19  -2.978   8.668  -0.472
  185   HH21  ARG  19          1HH2      ARG  19  -5.899   7.536   1.171
  186   HH22  ARG  19          2HH2      ARG  19  -5.045   8.953   0.706
  187    H    CYS  20           H        CYS  20  -7.363   3.697   1.794
  188    HA   CYS  20           HA       CYS  20  -9.355   1.677   1.056
  189    HB2  CYS  20           1HB      CYS  20  -9.556   3.849   3.151
  190    HB3  CYS  20           2HB      CYS  20 -10.901   2.865   2.609
  191    H    TRP  21           H        TRP  21 -11.336   2.618   0.017
  192    HA   TRP  21           HA       TRP  21 -10.628   4.532  -1.933
  193    HD1  TRP  21           1HD      TRP  21 -15.135   4.291  -3.082
  194    HE1  TRP  21           HE1      TRP  21 -17.120   4.801  -1.420
  195    HE3  TRP  21           HE3      TRP  21 -12.437   3.627   1.176
  196    HZ2  TRP  21           HZ2      TRP  21 -17.335   4.868   1.424
  197    HZ3  TRP  21           HZ3      TRP  21 -13.610   3.933   3.354
  198    HH2  TRP  21           2HH      TRP  21 -15.974   4.532   3.521
  199    HB2  TRP  21           1HB      TRP  21 -12.530   3.923  -2.953
  200    HB3  TRP  21           2HB      TRP  21 -12.417   2.563  -1.854
  Start of MODEL    8
    1    HA   ARG   1           HA       ARG   1 -15.839   1.815   1.417
    2    HE   ARG   1           HE       ARG   1 -18.907  -0.399   5.643
    3    H1   ARG   1           1H       ARG   1 -17.149   2.368  -0.397
    4    H2   ARG   1           2H       ARG   1 -15.718   1.695  -0.882
    5    H3   ARG   1           3H       ARG   1 -17.115   0.814  -0.968
    6    HB2  ARG   1           1HB      ARG   1 -18.319   1.675   1.628
    7    HB3  ARG   1           2HB      ARG   1 -18.287   0.007   1.089
    8    HG2  ARG   1           1HG      ARG   1 -17.560  -0.783   3.125
    9    HG3  ARG   1           2HG      ARG   1 -16.479   0.572   3.385
   10    HD2  ARG   1           1HD      ARG   1 -18.378   2.018   4.038
   11    HD3  ARG   1           2HD      ARG   1 -19.519   0.743   3.660
   12   HH11  ARG   1          1HH1      ARG   1 -16.745   2.355   5.096
   13   HH12  ARG   1          2HH1      ARG   1 -16.051   2.283   6.681
   14   HH21  ARG   1          1HH2      ARG   1 -18.013  -0.487   7.675
   15   HH22  ARG   1          2HH2      ARG   1 -16.798   0.600   8.215
   16    H    TRP   2           H        TRP   2 -13.994   0.684  -0.012
   17    HA   TRP   2           HA       TRP   2 -13.704  -1.975   1.098
   18    HD1  TRP   2           HD1      TRP   2 -11.589  -3.322  -2.523
   19    HE1  TRP   2           HE1      TRP   2 -10.634  -1.938  -4.557
   20    HE3  TRP   2           HE3      TRP   2 -14.726   0.643  -1.976
   21    HZ2  TRP   2           HZ2      TRP   2 -11.283   0.603  -5.683
   22    HZ3  TRP   2           HZ3      TRP   2 -14.499   2.534  -3.585
   23    HH2  TRP   2           HH2      TRP   2 -12.851   2.556  -5.390
   24    HB2  TRP   2           1HB      TRP   2 -13.575  -3.177  -0.820
   25    HB3  TRP   2           2HB      TRP   2 -14.832  -2.038  -1.260
   26    H    CYS   3           H        CYS   3 -11.385  -2.677   0.921
   27    HA   CYS   3           HA       CYS   3  -9.629  -0.391   0.411
   28    HB2  CYS   3           1HB      CYS   3  -9.158  -2.357   2.646
   29    HB3  CYS   3           2HB      CYS   3  -8.333  -0.842   2.338
   30    H    VAL   4           H        VAL   4  -7.467  -1.024  -0.348
   31    HA   VAL   4           HA       VAL   4  -7.196  -3.849  -1.036
   32    HB   VAL   4           HB       VAL   4  -6.584  -3.313  -3.309
   33   HG11  VAL   4          1HG1      VAL   4  -9.022  -3.676  -2.584
   34   HG12  VAL   4          2HG1      VAL   4  -9.224  -1.923  -2.816
   35   HG13  VAL   4          3HG1      VAL   4  -8.741  -2.952  -4.186
   36   HG21  VAL   4          3HG2      VAL   4  -6.594  -1.151  -4.257
   37   HG22  VAL   4          1HG2      VAL   4  -7.447  -0.448  -2.862
   38   HG23  VAL   4          2HG2      VAL   4  -5.751  -0.966  -2.701
   39    H    TYR   5           H        TYR   5  -4.941  -4.462  -1.485
   40    HA   TYR   5           HA       TYR   5  -3.138  -2.770   0.058
   41    HD1  TYR   5           HD1      TYR   5  -4.868  -4.020   1.231
   42    HD2  TYR   5           HD2      TYR   5  -3.234  -7.607  -0.435
   43    HE1  TYR   5           HE1      TYR   5  -6.722  -5.379   2.318
   44    HE2  TYR   5           HE2      TYR   5  -5.093  -8.953   0.658
   45    HH   TYR   5           HH       TYR   5  -7.285  -7.477   2.940
   46    HB2  TYR   5           1HB      TYR   5  -2.473  -5.457  -1.201
   47    HB3  TYR   5           2HB      TYR   5  -1.989  -4.854   0.371
   48    H    ALA   6           H        ALA   6  -1.160  -1.976  -0.738
   49    HA   ALA   6           HA       ALA   6  -0.468  -2.557  -3.487
   50    HB1  ALA   6           3HB      ALA   6  -1.886  -0.774  -4.023
   51    HB2  ALA   6           1HB      ALA   6  -1.521   0.101  -2.517
   52    HB3  ALA   6           2HB      ALA   6  -0.316   0.040  -3.825
   53    H    TYR   7           H        TYR   7   1.717  -1.657  -4.020
   54    HA   TYR   7           HA       TYR   7   3.266  -1.229  -1.553
   55    HD1  TYR   7           HD2      TYR   7   3.841  -4.041  -0.847
   56    HD2  TYR   7           HD1      TYR   7   2.557  -4.016  -4.929
   57    HE1  TYR   7           HE2      TYR   7   2.613  -6.238  -0.483
   58    HE2  TYR   7           HE1      TYR   7   1.334  -6.212  -4.550
   59    HH   TYR   7           HH       TYR   7   0.541  -7.580  -2.977
   60    HB2  TYR   7           1HB      TYR   7   4.208  -2.466  -4.198
   61    HB3  TYR   7           2HB      TYR   7   4.971  -2.626  -2.629
   62    H    VAL   8           H        VAL   8   5.060   0.227  -1.674
   63    HA   VAL   8           HA       VAL   8   5.194   1.792  -4.146
   64    HB   VAL   8           HB       VAL   8   3.936   3.280  -2.995
   65   HG11  VAL   8          1HG1      VAL   8   3.567   1.834  -1.045
   66   HG12  VAL   8          2HG1      VAL   8   5.147   2.314  -0.381
   67   HG13  VAL   8          3HG1      VAL   8   3.849   3.521  -0.553
   68   HG21  VAL   8          3HG2      VAL   8   6.699   3.808  -1.848
   69   HG22  VAL   8          1HG2      VAL   8   6.060   4.395  -3.402
   70   HG23  VAL   8          2HG2      VAL   8   5.355   4.975  -1.874
   71    H    ARG   9           H        ARG   9   7.266   2.921  -4.422
   72    HA   ARG   9           HA       ARG   9   9.347   1.335  -3.244
   73    HE   ARG   9           HE       ARG   9  11.374   4.994  -6.663
   74    HB2  ARG   9           1HB      ARG   9   9.827   1.576  -5.512
   75    HB3  ARG   9           2HB      ARG   9   9.067   3.151  -5.618
   76    HG2  ARG   9           1HG      ARG   9  10.968   4.272  -4.708
   77    HG3  ARG   9           2HG      ARG   9  11.629   2.799  -4.028
   78    HD2  ARG   9           1HD      ARG   9  12.961   2.791  -5.894
   79    HD3  ARG   9           2HD      ARG   9  11.557   2.114  -6.694
   80   HH11  ARG   9          1HH1      ARG   9  13.087   2.347  -8.280
   81   HH12  ARG   9          2HH1      ARG   9  13.369   3.251  -9.731
   82   HH21  ARG   9          1HH2      ARG   9  11.738   6.149  -8.526
   83   HH22  ARG   9          2HH2      ARG   9  12.571   5.505  -9.883
   84    H    ILE  10           H        ILE  10  10.082   2.026  -1.248
   85    HA   ILE  10           HA       ILE  10  10.764   4.859  -1.023
   86    HB   ILE  10           HB       ILE  10   9.048   3.266   0.868
   87   HG12  ILE  10          1HG1      ILE  10   8.433   5.063  -1.166
   88   HG13  ILE  10          2HG1      ILE  10   7.368   4.512   0.111
   89   HG21  ILE  10          1HG2      ILE  10  10.893   4.323   2.136
   90   HG22  ILE  10          2HG2      ILE  10  10.412   5.903   1.473
   91   HG23  ILE  10          3HG2      ILE  10   9.295   5.003   2.527
   92   HD11  ILE  10          3HD1      ILE  10   7.423   6.974   0.060
   93   HD12  ILE  10          1HD1      ILE  10   8.155   6.386   1.573
   94   HD13  ILE  10          2HD1      ILE  10   9.193   6.957   0.244
   95    H    ARG  11           H        ARG  11  12.758   5.207  -0.122
   96    HA   ARG  11           HA       ARG  11  14.710   4.792   0.705
   97    HE   ARG  11           HE       ARG  11  16.165   5.498   3.669
   98    HB2  ARG  11           1HB      ARG  11  13.097   2.724   2.230
   99    HB3  ARG  11           2HB      ARG  11  14.841   2.735   2.403
  100    HG2  ARG  11           1HG      ARG  11  14.270   5.425   2.694
  101    HG3  ARG  11           2HG      ARG  11  12.827   4.704   3.379
  102    HD2  ARG  11           1HD      ARG  11  14.089   4.582   5.295
  103    HD3  ARG  11           2HD      ARG  11  14.732   3.126   4.561
  104   HH11  ARG  11          1HH1      ARG  11  15.914   3.170   6.329
  105   HH12  ARG  11          2HH1      ARG  11  17.542   3.421   6.866
  106   HH21  ARG  11          1HH2      ARG  11  18.252   5.816   4.361
  107   HH22  ARG  11          2HH2      ARG  11  18.933   4.988   5.703
  108    H    GLY  12           H        GLY  12  13.994   3.634  -1.858
  109    HA3  GLY  12           2HA      GLY  12  16.181   1.941  -2.313
  110    H    VAL  13           H        VAL  13  13.019   1.300  -0.976
  111    HA   VAL  13           HA       VAL  13  13.289  -1.539  -1.661
  112    HB   VAL  13           HB       VAL  13  12.472  -0.565   1.067
  113   HG11  VAL  13          1HG1      VAL  13  11.821  -2.823   0.632
  114   HG12  VAL  13          2HG1      VAL  13  13.413  -3.219  -0.057
  115   HG13  VAL  13          3HG1      VAL  13  13.255  -2.887   1.684
  116   HG21  VAL  13          3HG2      VAL  13  15.031  -1.558   1.388
  117   HG22  VAL  13          1HG2      VAL  13  15.163  -0.595  -0.103
  118   HG23  VAL  13          2HG2      VAL  13  14.570   0.161   1.396
  119    H    LEU  14           H        LEU  14  11.199  -2.749  -1.359
  120    HA   LEU  14           HA       LEU  14   9.009  -0.978  -2.134
  121    HG   LEU  14           HG       LEU  14   7.097  -3.592  -3.476
  122    HB2  LEU  14           1HB      LEU  14   9.901  -3.038  -3.473
  123    HB3  LEU  14           2HB      LEU  14   8.956  -3.967  -2.326
  124   HD11  LEU  14          1HD1      LEU  14   6.934  -1.468  -2.167
  125   HD12  LEU  14          2HD1      LEU  14   7.668  -0.620  -3.549
  126   HD13  LEU  14          3HD1      LEU  14   6.097  -1.435  -3.737
  127   HD21  LEU  14          3HD2      LEU  14   7.221  -2.609  -5.731
  128   HD22  LEU  14          1HD2      LEU  14   8.854  -2.003  -5.366
  129   HD23  LEU  14          2HD2      LEU  14   8.546  -3.755  -5.416
  130    H    VAL  15           H        VAL  15   7.666  -0.333  -0.545
  131    HA   VAL  15           HA       VAL  15   7.387  -2.108   1.767
  132    HB   VAL  15           HB       VAL  15   6.345   0.685   1.703
  133   HG11  VAL  15          1HG1      VAL  15   7.396  -1.265   3.724
  134   HG12  VAL  15          2HG1      VAL  15   7.518   0.477   4.066
  135   HG13  VAL  15          3HG1      VAL  15   5.927  -0.261   3.760
  136   HG21  VAL  15          3HG2      VAL  15   8.468   1.086   0.695
  137   HG22  VAL  15          1HG2      VAL  15   8.640   1.488   2.421
  138   HG23  VAL  15          2HG2      VAL  15   9.284  -0.049   1.796
  139    H    ARG  16           H        ARG  16   5.329  -2.782   2.492
  140    HA   ARG  16           HA       ARG  16   3.334  -2.576   0.405
  141    HE   ARG  16           HE       ARG  16   5.959  -6.870   2.659
  142    HB2  ARG  16           1HB      ARG  16   3.002  -4.378   2.807
  143    HB3  ARG  16           2HB      ARG  16   2.487  -4.644   1.154
  144    HG2  ARG  16           1HG      ARG  16   5.040  -4.721   0.576
  145    HG3  ARG  16           2HG      ARG  16   5.291  -4.896   2.302
  146    HD2  ARG  16           1HD      ARG  16   3.218  -6.741   1.646
  147    HD3  ARG  16           2HD      ARG  16   4.404  -6.897   0.366
  148   HH11  ARG  16          1HH1      ARG  16   3.188  -8.814   1.610
  149   HH12  ARG  16          2HH1      ARG  16   3.668 -10.211   2.514
  150   HH21  ARG  16          1HH2      ARG  16   6.571  -8.665   3.817
  151   HH22  ARG  16          2HH2      ARG  16   5.673 -10.130   3.824
  152    H    TYR  17           H        TYR  17   1.190  -1.815   0.850
  153    HA   TYR  17           HA       TYR  17   0.566  -1.024   3.569
  154    HD1  TYR  17           HD2      TYR  17  -1.479   1.670   1.113
  155    HD2  TYR  17           HD1      TYR  17   2.523   0.560   0.085
  156    HE1  TYR  17           HE2      TYR  17  -1.912   2.322  -1.306
  157    HE2  TYR  17           HE1      TYR  17   2.076   1.216  -2.330
  158    HH   TYR  17           HH       TYR  17  -0.294   3.132  -3.267
  159    HB2  TYR  17           1HB      TYR  17   0.223   1.329   2.844
  160    HB3  TYR  17           2HB      TYR  17   1.860   0.868   2.422
  161    H    ARG  18           H        ARG  18  -1.739   0.033   3.574
  162    HA   ARG  18           HA       ARG  18  -3.292  -1.145   1.424
  163    HE   ARG  18           HE       ARG  18  -5.289  -3.847   4.575
  164    HB2  ARG  18           1HB      ARG  18  -4.038  -1.291   4.388
  165    HB3  ARG  18           2HB      ARG  18  -4.970  -1.958   3.063
  166    HG2  ARG  18           1HG      ARG  18  -3.546  -3.760   2.773
  167    HG3  ARG  18           2HG      ARG  18  -2.114  -2.840   3.190
  168    HD2  ARG  18           1HD      ARG  18  -2.485  -4.445   4.975
  169    HD3  ARG  18           2HD      ARG  18  -2.870  -2.860   5.615
  170   HH11  ARG  18          1HH1      ARG  18  -2.977  -4.846   7.067
  171   HH12  ARG  18          2HH1      ARG  18  -4.172  -5.649   8.030
  172   HH21  ARG  18          1HH2      ARG  18  -6.818  -4.879   5.812
  173   HH22  ARG  18          2HH2      ARG  18  -6.452  -5.672   7.291
  174    H    ARG  19           H        ARG  19  -5.036   0.155   0.731
  175    HA   ARG  19           HA       ARG  19  -5.489   2.532   2.348
  176    HE   ARG  19           HE       ARG  19  -5.609   5.471   0.863
  177    HB2  ARG  19           1HB      ARG  19  -5.146   2.266  -0.667
  178    HB3  ARG  19           2HB      ARG  19  -6.002   3.634   0.017
  179    HG2  ARG  19           1HG      ARG  19  -3.791   3.707   1.597
  180    HG3  ARG  19           2HG      ARG  19  -3.084   2.936   0.191
  181    HD2  ARG  19           1HD      ARG  19  -2.818   5.339  -0.077
  182    HD3  ARG  19           2HD      ARG  19  -4.007   4.806  -1.248
  183   HH11  ARG  19          1HH1      ARG  19  -2.944   7.221  -0.683
  184   HH12  ARG  19          2HH1      ARG  19  -3.586   8.784  -0.303
  185   HH21  ARG  19          1HH2      ARG  19  -6.428   7.478   1.350
  186   HH22  ARG  19          2HH2      ARG  19  -5.652   8.944   0.902
  187    H    CYS  20           H        CYS  20  -7.703   3.562   1.895
  188    HA   CYS  20           HA       CYS  20  -9.604   1.479   1.095
  189    HB2  CYS  20           1HB      CYS  20  -9.868   3.521   3.310
  190    HB3  CYS  20           2HB      CYS  20 -11.188   2.531   2.719
  191    H    TRP  21           H        TRP  21 -11.647   2.381   0.135
  192    HA   TRP  21           HA       TRP  21 -11.055   4.416  -1.729
  193    HD1  TRP  21           1HD      TRP  21 -15.564   4.043  -2.822
  194    HE1  TRP  21           HE1      TRP  21 -17.542   4.382  -1.109
  195    HE3  TRP  21           HE3      TRP  21 -12.772   3.275   1.358
  196    HZ2  TRP  21           HZ2      TRP  21 -17.713   4.294   1.739
  197    HZ3  TRP  21           HZ3      TRP  21 -13.922   3.419   3.565
  198    HH2  TRP  21           2HH      TRP  21 -16.306   3.909   3.795
  199    HB2  TRP  21           1HB      TRP  21 -12.945   3.775  -2.750
  200    HB3  TRP  21           2HB      TRP  21 -12.756   2.370  -1.720
  Start of MODEL    9
    1    HA   ARG   1           HA       ARG   1 -15.556   2.302   1.303
    2    HE   ARG   1           HE       ARG   1 -20.433   2.234   2.156
    3    H1   ARG   1           1H       ARG   1 -16.878   2.775  -0.524
    4    H2   ARG   1           2H       ARG   1 -15.487   2.005  -0.982
    5    H3   ARG   1           3H       ARG   1 -16.922   1.183  -0.977
    6    HB2  ARG   1           1HB      ARG   1 -17.279   1.053   2.658
    7    HB3  ARG   1           2HB      ARG   1 -17.980   2.318   1.668
    8    HG2  ARG   1           1HG      ARG   1 -17.903  -0.050   0.048
    9    HG3  ARG   1           2HG      ARG   1 -18.522  -0.532   1.615
   10    HD2  ARG   1           1HD      ARG   1 -19.602   1.822  -0.010
   11    HD3  ARG   1           2HD      ARG   1 -20.326   0.226   0.017
   12   HH11  ARG   1          1HH1      ARG   1 -20.800  -1.203   1.377
   13   HH12  ARG   1          2HH1      ARG   1 -21.797  -1.536   2.754
   14   HH21  ARG   1          1HH2      ARG   1 -21.712   1.802   3.921
   15   HH22  ARG   1          2HH2      ARG   1 -22.341   0.241   4.266
   16    H    TRP   2           H        TRP   2 -13.793   0.985  -0.073
   17    HA   TRP   2           HA       TRP   2 -13.613  -1.607   1.217
   18    HD1  TRP   2           HD1      TRP   2 -11.557  -3.260  -2.314
   19    HE1  TRP   2           HE1      TRP   2 -10.534  -2.040  -4.418
   20    HE3  TRP   2           HE3      TRP   2 -14.501   0.875  -2.004
   21    HZ2  TRP   2           HZ2      TRP   2 -11.059   0.461  -5.689
   22    HZ3  TRP   2           HZ3      TRP   2 -14.182   2.658  -3.715
   23    HH2  TRP   2           HH2      TRP   2 -12.532   2.501  -5.512
   24    HB2  TRP   2           1HB      TRP   2 -13.534  -2.923  -0.628
   25    HB3  TRP   2           2HB      TRP   2 -14.737  -1.757  -1.139
   26    H    CYS   3           H        CYS   3 -11.327  -2.422   1.087
   27    HA   CYS   3           HA       CYS   3  -9.470  -0.246   0.461
   28    HB2  CYS   3           1HB      CYS   3  -9.075  -2.112   2.792
   29    HB3  CYS   3           2HB      CYS   3  -8.202  -0.641   2.413
   30    H    VAL   4           H        VAL   4  -7.346  -1.008  -0.272
   31    HA   VAL   4           HA       VAL   4  -7.173  -3.876  -0.782
   32    HB   VAL   4           HB       VAL   4  -6.638  -3.549  -3.094
   33   HG11  VAL   4          1HG1      VAL   4  -9.075  -3.657  -2.287
   34   HG12  VAL   4          2HG1      VAL   4  -9.145  -1.917  -2.656
   35   HG13  VAL   4          3HG1      VAL   4  -8.784  -3.087  -3.948
   36   HG21  VAL   4          3HG2      VAL   4  -6.489  -1.481  -4.209
   37   HG22  VAL   4          1HG2      VAL   4  -7.268  -0.601  -2.872
   38   HG23  VAL   4          2HG2      VAL   4  -5.613  -1.229  -2.681
   39    H    TYR   5           H        TYR   5  -4.967  -4.611  -1.122
   40    HA   TYR   5           HA       TYR   5  -3.069  -2.788   0.148
   41    HD1  TYR   5           HD1      TYR   5  -4.833  -3.732   1.544
   42    HD2  TYR   5           HD2      TYR   5  -3.436  -7.627   0.457
   43    HE1  TYR   5           HE1      TYR   5  -6.742  -4.789   2.849
   44    HE2  TYR   5           HE2      TYR   5  -5.349  -8.670   1.766
   45    HH   TYR   5           HH       TYR   5  -8.010  -7.113   2.617
   46    HB2  TYR   5           1HB      TYR   5  -2.557  -5.681  -0.638
   47    HB3  TYR   5           2HB      TYR   5  -2.026  -4.846   0.808
   48    H    ALA   6           H        ALA   6  -1.138  -2.144  -0.814
   49    HA   ALA   6           HA       ALA   6  -0.433  -3.274  -3.383
   50    HB1  ALA   6           3HB      ALA   6  -0.265  -0.753  -4.188
   51    HB2  ALA   6           1HB      ALA   6  -1.795  -1.651  -4.330
   52    HB3  ALA   6           2HB      ALA   6  -1.554  -0.510  -2.985
   53    H    TYR   7           H        TYR   7   1.758  -2.527  -4.071
   54    HA   TYR   7           HA       TYR   7   3.337  -1.878  -1.686
   55    HD1  TYR   7           HD2      TYR   7   3.363  -4.347  -1.093
   56    HD2  TYR   7           HD1      TYR   7   3.432  -4.825  -5.344
   57    HE1  TYR   7           HE2      TYR   7   2.293  -6.641  -0.859
   58    HE2  TYR   7           HE1      TYR   7   2.362  -7.118  -5.096
   59    HH   TYR   7           HH       TYR   7   1.797  -8.507  -1.896
   60    HB2  TYR   7           1HB      TYR   7   4.266  -2.871  -4.435
   61    HB3  TYR   7           2HB      TYR   7   5.083  -3.091  -2.900
   62    H    VAL   8           H        VAL   8   5.007  -0.285  -1.776
   63    HA   VAL   8           HA       VAL   8   5.000   1.394  -4.167
   64    HB   VAL   8           HB       VAL   8   3.415   2.469  -2.769
   65   HG11  VAL   8          1HG1      VAL   8   4.984   3.047  -0.403
   66   HG12  VAL   8          2HG1      VAL   8   3.372   2.304  -0.543
   67   HG13  VAL   8          3HG1      VAL   8   4.832   1.290  -0.644
   68   HG21  VAL   8          3HG2      VAL   8   5.100   3.927  -3.846
   69   HG22  VAL   8          1HG2      VAL   8   4.475   4.619  -2.330
   70   HG23  VAL   8          2HG2      VAL   8   6.085   3.860  -2.365
   71    H    ARG   9           H        ARG   9   6.936   2.843  -4.241
   72    HA   ARG   9           HA       ARG   9   9.148   1.383  -3.127
   73    HE   ARG   9           HE       ARG   9  10.419   5.045  -6.623
   74    HB2  ARG   9           1HB      ARG   9   9.674   1.842  -5.348
   75    HB3  ARG   9           2HB      ARG   9   8.733   3.320  -5.380
   76    HG2  ARG   9           1HG      ARG   9  10.458   4.601  -4.368
   77    HG3  ARG   9           2HG      ARG   9  11.249   3.190  -3.694
   78    HD2  ARG   9           1HD      ARG   9  12.641   3.789  -5.527
   79    HD3  ARG   9           2HD      ARG   9  11.688   2.458  -6.153
   80   HH11  ARG   9          1HH1      ARG   9  12.828   2.770  -7.877
   81   HH12  ARG   9          2HH1      ARG   9  12.718   3.356  -9.503
   82   HH21  ARG   9          1HH2      ARG   9  10.281   5.794  -8.711
   83   HH22  ARG   9          2HH2      ARG   9  11.209   5.149 -10.004
   84    H    ILE  10           H        ILE  10   9.761   1.998  -1.067
   85    HA   ILE  10           HA       ILE  10  10.027   4.877  -0.596
   86    HB   ILE  10           HB       ILE  10   8.777   2.842   1.250
   87   HG12  ILE  10          1HG1      ILE  10   7.624   4.404  -0.738
   88   HG13  ILE  10          2HG1      ILE  10   6.796   3.610   0.587
   89   HG21  ILE  10          1HG2      ILE  10   9.476   5.736   1.819
   90   HG22  ILE  10          2HG2      ILE  10   8.600   4.624   2.899
   91   HG23  ILE  10          3HG2      ILE  10  10.304   4.311   2.490
   92   HD11  ILE  10          3HD1      ILE  10   7.948   6.438   0.663
   93   HD12  ILE  10          1HD1      ILE  10   6.225   6.015   0.516
   94   HD13  ILE  10          2HD1      ILE  10   7.111   5.632   2.011
   95    H    ARG  11           H        ARG  11  12.011   5.455   0.152
   96    HA   ARG  11           HA       ARG  11  14.043   5.307   0.868
   97    HE   ARG  11           HE       ARG  11  13.309   4.028   6.320
   98    HB2  ARG  11           1HB      ARG  11  12.754   3.074   2.428
   99    HB3  ARG  11           2HB      ARG  11  14.506   3.133   2.435
  100    HG2  ARG  11           1HG      ARG  11  13.924   5.783   2.898
  101    HG3  ARG  11           2HG      ARG  11  12.537   5.022   3.653
  102    HD2  ARG  11           1HD      ARG  11  14.691   3.439   4.526
  103    HD3  ARG  11           2HD      ARG  11  15.357   5.060   4.531
  104   HH11  ARG  11          1HH1      ARG  11  14.482   6.992   4.773
  105   HH12  ARG  11          2HH1      ARG  11  13.819   8.035   5.987
  106   HH21  ARG  11          1HH2      ARG  11  12.461   5.370   7.874
  107   HH22  ARG  11          2HH2      ARG  11  12.619   7.080   7.828
  108    H    GLY  12           H        GLY  12  13.387   4.154  -1.702
  109    HA3  GLY  12           2HA      GLY  12  15.766   2.784  -2.300
  110    H    VAL  13           H        VAL  13  12.773   1.691  -0.892
  111    HA   VAL  13           HA       VAL  13  13.402  -1.063  -1.699
  112    HB   VAL  13           HB       VAL  13  12.352  -0.365   1.023
  113   HG11  VAL  13          1HG1      VAL  13  13.522  -2.732  -0.353
  114   HG12  VAL  13          2HG1      VAL  13  13.958  -2.502   1.358
  115   HG13  VAL  13          3HG1      VAL  13  12.246  -2.634   0.885
  116   HG21  VAL  13          3HG2      VAL  13  15.011  -0.764   1.503
  117   HG22  VAL  13          1HG2      VAL  13  15.068   0.169  -0.012
  118   HG23  VAL  13          2HG2      VAL  13  14.226   0.831   1.410
  119    H    LEU  14           H        LEU  14  11.483  -2.556  -1.444
  120    HA   LEU  14           HA       LEU  14   9.083  -1.069  -2.213
  121    HG   LEU  14           HG       LEU  14   7.585  -3.857  -3.731
  122    HB2  LEU  14           1HB      LEU  14  10.276  -2.898  -3.644
  123    HB3  LEU  14           2HB      LEU  14   9.467  -4.020  -2.569
  124   HD11  LEU  14          1HD1      LEU  14   6.278  -1.858  -3.889
  125   HD12  LEU  14          2HD1      LEU  14   7.094  -1.863  -2.307
  126   HD13  LEU  14          3HD1      LEU  14   7.709  -0.834  -3.622
  127   HD21  LEU  14          3HD2      LEU  14   9.067  -3.687  -5.649
  128   HD22  LEU  14          1HD2      LEU  14   7.584  -2.740  -5.924
  129   HD23  LEU  14          2HD2      LEU  14   9.101  -1.913  -5.495
  130    H    VAL  15           H        VAL  15   7.639  -0.711  -0.622
  131    HA   VAL  15           HA       VAL  15   7.415  -2.797   1.438
  132    HB   VAL  15           HB       VAL  15   6.610   0.035   1.931
  133   HG11  VAL  15          1HG1      VAL  15   6.155  -1.019   3.868
  134   HG12  VAL  15          2HG1      VAL  15   7.205  -2.402   3.477
  135   HG13  VAL  15          3HG1      VAL  15   7.909  -0.915   4.156
  136   HG21  VAL  15          3HG2      VAL  15   9.478  -0.961   1.964
  137   HG22  VAL  15          1HG2      VAL  15   8.802   0.343   0.959
  138   HG23  VAL  15          2HG2      VAL  15   8.920   0.549   2.723
  139    H    ARG  16           H        ARG  16   5.286  -3.351   2.147
  140    HA   ARG  16           HA       ARG  16   3.336  -2.752   0.106
  141    HE   ARG  16           HE       ARG  16   5.436  -8.138   1.636
  142    HB2  ARG  16           1HB      ARG  16   2.788  -4.657   2.388
  143    HB3  ARG  16           2HB      ARG  16   2.265  -4.762   0.719
  144    HG2  ARG  16           1HG      ARG  16   4.754  -5.120   0.106
  145    HG3  ARG  16           2HG      ARG  16   5.052  -5.320   1.821
  146    HD2  ARG  16           1HD      ARG  16   2.772  -6.955   1.144
  147    HD3  ARG  16           2HD      ARG  16   4.015  -7.261  -0.053
  148   HH11  ARG  16          1HH1      ARG  16   2.497  -6.769   3.065
  149   HH12  ARG  16          2HH1      ARG  16   2.767  -7.489   4.617
  150   HH21  ARG  16          1HH2      ARG  16   5.778  -9.060   3.628
  151   HH22  ARG  16          2HH2      ARG  16   4.711  -8.849   4.958
  152    H    TYR  17           H        TYR  17   1.164  -1.992   0.661
  153    HA   TYR  17           HA       TYR  17   0.718  -1.171   3.406
  154    HD1  TYR  17           HD2      TYR  17  -1.334   1.568   0.967
  155    HD2  TYR  17           HD1      TYR  17   2.607   0.317  -0.134
  156    HE1  TYR  17           HE2      TYR  17  -1.799   2.203  -1.451
  157    HE2  TYR  17           HE1      TYR  17   2.128   0.956  -2.548
  158    HH   TYR  17           HH       TYR  17  -0.537   2.844  -3.416
  159    HB2  TYR  17           1HB      TYR  17   0.393   1.193   2.665
  160    HB3  TYR  17           2HB      TYR  17   2.007   0.680   2.214
  161    H    ARG  18           H        ARG  18  -1.545  -0.111   3.586
  162    HA   ARG  18           HA       ARG  18  -3.254  -1.270   1.537
  163    HE   ARG  18           HE       ARG  18  -4.859  -3.953   5.268
  164    HB2  ARG  18           1HB      ARG  18  -3.895  -1.182   4.526
  165    HB3  ARG  18           2HB      ARG  18  -4.864  -1.943   3.280
  166    HG2  ARG  18           1HG      ARG  18  -3.580  -3.830   3.277
  167    HG3  ARG  18           2HG      ARG  18  -2.085  -2.916   3.238
  168    HD2  ARG  18           1HD      ARG  18  -1.940  -3.951   5.344
  169    HD3  ARG  18           2HD      ARG  18  -2.616  -2.393   5.774
  170   HH11  ARG  18          1HH1      ARG  18  -2.052  -4.292   7.405
  171   HH12  ARG  18          2HH1      ARG  18  -2.913  -5.212   8.594
  172   HH21  ARG  18          1HH2      ARG  18  -5.958  -5.134   6.796
  173   HH22  ARG  18          2HH2      ARG  18  -5.229  -5.714   8.239
  174    H    ARG  19           H        ARG  19  -4.873   0.116   0.774
  175    HA   ARG  19           HA       ARG  19  -5.235   2.557   2.316
  176    HE   ARG  19           HE       ARG  19  -5.209   5.456   0.735
  177    HB2  ARG  19           1HB      ARG  19  -4.867   2.192  -0.686
  178    HB3  ARG  19           2HB      ARG  19  -5.668   3.615  -0.051
  179    HG2  ARG  19           1HG      ARG  19  -3.477   3.634   1.556
  180    HG3  ARG  19           2HG      ARG  19  -2.787   2.791   0.182
  181    HD2  ARG  19           1HD      ARG  19  -2.409   5.172  -0.149
  182    HD3  ARG  19           2HD      ARG  19  -3.605   4.659  -1.322
  183   HH11  ARG  19          1HH1      ARG  19  -2.425   7.039  -0.781
  184   HH12  ARG  19          2HH1      ARG  19  -2.996   8.640  -0.445
  185   HH21  ARG  19          1HH2      ARG  19  -5.936   7.511   1.164
  186   HH22  ARG  19          2HH2      ARG  19  -5.077   8.927   0.708
  187    H    CYS  20           H        CYS  20  -7.394   3.673   1.803
  188    HA   CYS  20           HA       CYS  20  -9.377   1.650   1.051
  189    HB2  CYS  20           1HB      CYS  20  -9.591   3.806   3.162
  190    HB3  CYS  20           2HB      CYS  20 -10.934   2.828   2.604
  191    H    TRP  21           H        TRP  21 -11.359   2.595   0.013
  192    HA   TRP  21           HA       TRP  21 -10.646   4.519  -1.925
  193    HD1  TRP  21           1HD      TRP  21 -15.148   4.291  -3.087
  194    HE1  TRP  21           HE1      TRP  21 -17.139   4.791  -1.429
  195    HE3  TRP  21           HE3      TRP  21 -12.466   3.590   1.175
  196    HZ2  TRP  21           HZ2      TRP  21 -17.363   4.836   1.416
  197    HZ3  TRP  21           HZ3      TRP  21 -13.647   3.881   3.351
  198    HH2  TRP  21           2HH      TRP  21 -16.010   4.482   3.514
  199    HB2  TRP  21           1HB      TRP  21 -12.545   3.915  -2.953
  200    HB3  TRP  21           2HB      TRP  21 -12.436   2.550  -1.860
  Start of MODEL   10
    1    HA   ARG   1           HA       ARG   1 -16.020   1.795   0.100
    2    HE   ARG   1           HE       ARG   1 -20.100   0.672   3.808
    3    H1   ARG   1           1H       ARG   1 -18.302   1.719  -0.214
    4    H2   ARG   1           2H       ARG   1 -17.523   0.727  -1.285
    5    H3   ARG   1           3H       ARG   1 -18.336   0.078   0.001
    6    HB2  ARG   1           1HB      ARG   1 -16.053   1.605   2.487
    7    HB3  ARG   1           2HB      ARG   1 -17.724   1.902   2.050
    8    HG2  ARG   1           1HG      ARG   1 -17.982  -0.697   1.997
    9    HG3  ARG   1           2HG      ARG   1 -16.441  -0.745   2.831
   10    HD2  ARG   1           1HD      ARG   1 -17.616  -0.489   4.765
   11    HD3  ARG   1           2HD      ARG   1 -17.868   1.178   4.286
   12   HH11  ARG   1          1HH1      ARG   1 -18.254  -2.351   3.897
   13   HH12  ARG   1          2HH1      ARG   1 -19.656  -3.356   3.743
   14   HH21  ARG   1          1HH2      ARG   1 -21.895  -0.621   3.609
   15   HH22  ARG   1          2HH2      ARG   1 -21.818  -2.337   3.572
   16    H    TRP   2           H        TRP   2 -14.103   0.707  -0.260
   17    HA   TRP   2           HA       TRP   2 -13.899  -2.072   0.528
   18    HD1  TRP   2           HD1      TRP   2 -11.470  -2.951  -3.033
   19    HE1  TRP   2           HE1      TRP   2 -10.371  -1.329  -4.801
   20    HE3  TRP   2           HE3      TRP   2 -14.707   0.899  -2.293
   21    HZ2  TRP   2           HZ2      TRP   2 -10.966   1.322  -5.672
   22    HZ3  TRP   2           HZ3      TRP   2 -14.378   2.969  -3.642
   23    HH2  TRP   2           HH2      TRP   2 -12.585   3.217  -5.285
   24    HB2  TRP   2           1HB      TRP   2 -13.604  -3.025  -1.510
   25    HB3  TRP   2           2HB      TRP   2 -14.830  -1.835  -1.902
   26    H    CYS   3           H        CYS   3 -11.573  -2.763   0.463
   27    HA   CYS   3           HA       CYS   3  -9.784  -0.447   0.378
   28    HB2  CYS   3           1HB      CYS   3  -9.670  -2.661   2.436
   29    HB3  CYS   3           2HB      CYS   3  -8.587  -1.289   2.314
   30    H    VAL   4           H        VAL   4  -7.559  -1.011  -0.253
   31    HA   VAL   4           HA       VAL   4  -7.144  -3.743  -1.142
   32    HB   VAL   4           HB       VAL   4  -6.603  -3.134  -3.386
   33   HG11  VAL   4          1HG1      VAL   4  -9.028  -3.531  -2.716
   34   HG12  VAL   4          2HG1      VAL   4  -9.243  -1.766  -2.808
   35   HG13  VAL   4          3HG1      VAL   4  -8.764  -2.682  -4.258
   36   HG21  VAL   4          3HG2      VAL   4  -7.445  -0.276  -2.862
   37   HG22  VAL   4          1HG2      VAL   4  -5.753  -0.810  -2.724
   38   HG23  VAL   4          2HG2      VAL   4  -6.605  -0.948  -4.280
   39    H    TYR   5           H        TYR   5  -4.878  -4.244  -1.441
   40    HA   TYR   5           HA       TYR   5  -3.191  -2.379   0.047
   41    HD1  TYR   5           HD2      TYR   5  -4.262  -3.828   2.042
   42    HD2  TYR   5           HD1      TYR   5  -3.773  -6.995  -0.793
   43    HE1  TYR   5           HE2      TYR   5  -6.108  -5.149   3.188
   44    HE2  TYR   5           HE1      TYR   5  -5.620  -8.305   0.363
   45    HH   TYR   5           HH       TYR   5  -6.589  -7.837   3.306
   46    HB2  TYR   5           1HB      TYR   5  -2.401  -5.141  -0.954
   47    HB3  TYR   5           2HB      TYR   5  -1.986  -4.388   0.573
   48    H    ALA   6           H        ALA   6  -1.122  -1.712  -0.728
   49    HA   ALA   6           HA       ALA   6  -0.416  -2.435  -3.440
   50    HB1  ALA   6           3HB      ALA   6  -1.795  -0.640  -4.056
   51    HB2  ALA   6           1HB      ALA   6  -1.389   0.301  -2.601
   52    HB3  ALA   6           2HB      ALA   6  -0.196   0.127  -3.910
   53    H    TYR   7           H        TYR   7   1.800  -1.640  -3.983
   54    HA   TYR   7           HA       TYR   7   3.333  -1.154  -1.517
   55    HD1  TYR   7           HD1      TYR   7   3.855  -3.871  -0.680
   56    HD2  TYR   7           HD2      TYR   7   2.628  -4.109  -4.772
   57    HE1  TYR   7           HE1      TYR   7   2.615  -6.036  -0.191
   58    HE2  TYR   7           HE2      TYR   7   1.393  -6.272  -4.269
   59    HH   TYR   7           HH       TYR   7   1.243  -7.534  -0.958
   60    HB2  TYR   7           1HB      TYR   7   4.236  -2.498  -4.127
   61    HB3  TYR   7           2HB      TYR   7   5.033  -2.596  -2.569
   62    H    VAL   8           H        VAL   8   5.093   0.312  -1.622
   63    HA   VAL   8           HA       VAL   8   5.280   1.809  -4.139
   64    HB   VAL   8           HB       VAL   8   4.085   3.344  -2.983
   65   HG11  VAL   8          1HG1      VAL   8   3.747   1.888  -1.007
   66   HG12  VAL   8          2HG1      VAL   8   5.317   2.425  -0.364
   67   HG13  VAL   8          3HG1      VAL   8   3.990   3.595  -0.564
   68   HG21  VAL   8          3HG2      VAL   8   6.836   3.843  -1.797
   69   HG22  VAL   8          1HG2      VAL   8   6.310   4.322  -3.428
   70   HG23  VAL   8          2HG2      VAL   8   5.534   5.040  -1.996
   71    H    ARG   9           H        ARG   9   7.379   2.833  -4.492
   72    HA   ARG   9           HA       ARG   9   9.430   1.231  -3.278
   73    HE   ARG   9           HE       ARG   9  11.028   1.229  -7.590
   74    HB2  ARG   9           1HB      ARG   9   9.835   1.343  -5.581
   75    HB3  ARG   9           2HB      ARG   9   9.184   2.964  -5.728
   76    HG2  ARG   9           1HG      ARG   9  11.185   3.954  -4.773
   77    HG3  ARG   9           2HG      ARG   9  11.795   2.393  -4.261
   78    HD2  ARG   9           1HD      ARG   9  11.566   3.469  -7.099
   79    HD3  ARG   9           2HD      ARG   9  13.011   2.937  -6.262
   80   HH11  ARG   9          1HH1      ARG   9  13.641   1.324  -5.199
   81   HH12  ARG   9          2HH1      ARG   9  13.976  -0.372  -5.315
   82   HH21  ARG   9          1HH2      ARG   9  11.462  -0.945  -7.736
   83   HH22  ARG   9          2HH2      ARG   9  12.688  -1.723  -6.817
   84    H    ILE  10           H        ILE  10  10.249   1.997  -1.345
   85    HA   ILE  10           HA       ILE  10  11.046   4.803  -1.283
   86    HB   ILE  10           HB       ILE  10   9.153   3.440   0.593
   87   HG12  ILE  10          1HG1      ILE  10   8.901   5.397  -1.382
   88   HG13  ILE  10          2HG1      ILE  10   7.705   4.936  -0.187
   89   HG21  ILE  10          1HG2      ILE  10   9.597   5.061   2.326
   90   HG22  ILE  10          2HG2      ILE  10  11.090   4.167   1.955
   91   HG23  ILE  10          3HG2      ILE  10  10.868   5.823   1.342
   92   HD11  ILE  10          3HD1      ILE  10   8.692   6.600   1.417
   93   HD12  ILE  10          1HD1      ILE  10   9.831   7.103   0.145
   94   HD13  ILE  10          2HD1      ILE  10   8.083   7.358  -0.073
   95    H    ARG  11           H        ARG  11  13.045   5.114  -0.366
   96    HA   ARG  11           HA       ARG  11  14.970   4.652   0.498
   97    HE   ARG  11           HE       ARG  11  15.034   5.897   5.534
   98    HB2  ARG  11           1HB      ARG  11  13.243   2.748   2.100
   99    HB3  ARG  11           2HB      ARG  11  14.983   2.643   2.275
  100    HG2  ARG  11           1HG      ARG  11  14.346   5.428   2.385
  101    HG3  ARG  11           2HG      ARG  11  13.154   4.619   3.383
  102    HD2  ARG  11           1HD      ARG  11  15.387   3.298   4.230
  103    HD3  ARG  11           2HD      ARG  11  16.127   4.814   3.756
  104   HH11  ARG  11          1HH1      ARG  11  13.606   2.688   5.063
  105   HH12  ARG  11          2HH1      ARG  11  12.669   2.756   6.518
  106   HH21  ARG  11          1HH2      ARG  11  13.830   5.979   7.399
  107   HH22  ARG  11          2HH2      ARG  11  12.797   4.704   7.908
  108    H    GLY  12           H        GLY  12  14.218   3.415  -2.018
  109    HA3  GLY  12           2HA      GLY  12  16.334   1.615  -2.385
  110    H    VAL  13           H        VAL  13  13.154   1.164  -1.026
  111    HA   VAL  13           HA       VAL  13  13.302  -1.711  -1.593
  112    HB   VAL  13           HB       VAL  13  12.517  -0.593   1.088
  113   HG11  VAL  13          1HG1      VAL  13  11.800  -2.790   0.998
  114   HG12  VAL  13          2HG1      VAL  13  13.144  -3.302  -0.050
  115   HG13  VAL  13          3HG1      VAL  13  13.434  -2.986   1.677
  116   HG21  VAL  13          3HG2      VAL  13  15.208  -0.762  -0.067
  117   HG22  VAL  13          1HG2      VAL  13  14.638   0.072   1.399
  118   HG23  VAL  13          2HG2      VAL  13  15.040  -1.661   1.460
  119    H    LEU  14           H        LEU  14  11.160  -2.817  -1.230
  120    HA   LEU  14           HA       LEU  14   9.048  -0.992  -2.094
  121    HG   LEU  14           HG       LEU  14   7.027  -3.574  -3.328
  122    HB2  LEU  14           1HB      LEU  14   9.855  -3.149  -3.334
  123    HB3  LEU  14           2HB      LEU  14   8.863  -3.981  -2.152
  124   HD11  LEU  14          1HD1      LEU  14   6.960  -1.385  -2.119
  125   HD12  LEU  14          2HD1      LEU  14   7.734  -0.638  -3.537
  126   HD13  LEU  14          3HD1      LEU  14   6.127  -1.388  -3.692
  127   HD21  LEU  14          3HD2      LEU  14   8.486  -3.889  -5.248
  128   HD22  LEU  14          1HD2      LEU  14   7.203  -2.715  -5.625
  129   HD23  LEU  14          2HD2      LEU  14   8.855  -2.148  -5.281
  130    H    VAL  15           H        VAL  15   7.730  -0.221  -0.541
  131    HA   VAL  15           HA       VAL  15   7.405  -1.848   1.867
  132    HB   VAL  15           HB       VAL  15   6.370   0.936   1.619
  133   HG11  VAL  15          1HG1      VAL  15   5.968   0.073   3.731
  134   HG12  VAL  15          2HG1      VAL  15   7.491  -0.847   3.765
  135   HG13  VAL  15          3HG1      VAL  15   7.513   0.920   3.980
  136   HG21  VAL  15          3HG2      VAL  15   8.434   1.398   0.622
  137   HG22  VAL  15          1HG2      VAL  15   8.740   1.693   2.351
  138   HG23  VAL  15          2HG2      VAL  15   9.291   0.179   1.595
  139    H    ARG  16           H        ARG  16   5.351  -2.487   2.614
  140    HA   ARG  16           HA       ARG  16   3.348  -2.365   0.524
  141    HE   ARG  16           HE       ARG  16   5.580  -6.405  -0.098
  142    HB2  ARG  16           1HB      ARG  16   3.034  -4.095   2.982
  143    HB3  ARG  16           2HB      ARG  16   2.510  -4.412   1.340
  144    HG2  ARG  16           1HG      ARG  16   5.070  -4.490   0.760
  145    HG3  ARG  16           2HG      ARG  16   5.315  -4.635   2.489
  146    HD2  ARG  16           1HD      ARG  16   4.736  -6.834   2.452
  147    HD3  ARG  16           2HD      ARG  16   3.212  -6.473   1.667
  148   HH11  ARG  16          1HH1      ARG  16   2.867  -8.323   1.132
  149   HH12  ARG  16          2HH1      ARG  16   2.909  -9.453  -0.180
  150   HH21  ARG  16          1HH2      ARG  16   5.632  -7.857  -1.779
  151   HH22  ARG  16          2HH2      ARG  16   4.547  -9.182  -1.909
  152    H    TYR  17           H        TYR  17   1.212  -1.583   0.956
  153    HA   TYR  17           HA       TYR  17   0.597  -0.720   3.654
  154    HD1  TYR  17           HD2      TYR  17   2.638   0.748   0.203
  155    HD2  TYR  17           HD1      TYR  17  -1.402   1.894   1.024
  156    HE1  TYR  17           HE2      TYR  17   2.291   1.312  -2.251
  157    HE2  TYR  17           HE1      TYR  17  -1.735   2.454  -1.433
  158    HH   TYR  17           HH       TYR  17  -0.882   2.390  -3.422
  159    HB2  TYR  17           1HB      TYR  17   0.222   1.614   2.835
  160    HB3  TYR  17           2HB      TYR  17   1.879   1.153   2.500
  161    H    ARG  18           H        ARG  18  -1.691  -0.108   3.900
  162    HA   ARG  18           HA       ARG  18  -3.255  -1.269   1.736
  163    HE   ARG  18           HE       ARG  18  -5.457  -2.781   5.993
  164    HB2  ARG  18           1HB      ARG  18  -4.203  -1.026   4.620
  165    HB3  ARG  18           2HB      ARG  18  -4.827  -2.082   3.368
  166    HG2  ARG  18           1HG      ARG  18  -2.726  -3.396   3.379
  167    HG3  ARG  18           2HG      ARG  18  -2.018  -2.301   4.549
  168    HD2  ARG  18           1HD      ARG  18  -4.121  -4.410   4.950
  169    HD3  ARG  18           2HD      ARG  18  -2.780  -3.969   5.988
  170   HH11  ARG  18          1HH1      ARG  18  -2.067  -2.261   6.883
  171   HH12  ARG  18          2HH1      ARG  18  -2.438  -1.080   8.095
  172   HH21  ARG  18          1HH2      ARG  18  -5.927  -1.266   7.549
  173   HH22  ARG  18          2HH2      ARG  18  -4.725  -0.485   8.494
  174    H    ARG  19           H        ARG  19  -5.092  -0.103   0.979
  175    HA   ARG  19           HA       ARG  19  -5.456   2.487   2.257
  176    HE   ARG  19           HE       ARG  19  -5.710   5.172   0.326
  177    HB2  ARG  19           1HB      ARG  19  -5.316   1.768  -0.699
  178    HB3  ARG  19           2HB      ARG  19  -6.135   3.226  -0.174
  179    HG2  ARG  19           1HG      ARG  19  -3.827   3.536   1.223
  180    HG3  ARG  19           2HG      ARG  19  -3.206   2.554  -0.089
  181    HD2  ARG  19           1HD      ARG  19  -2.974   4.882  -0.748
  182    HD3  ARG  19           2HD      ARG  19  -4.239   4.182  -1.737
  183   HH11  ARG  19          1HH1      ARG  19  -3.102   6.658  -1.556
  184   HH12  ARG  19          2HH1      ARG  19  -3.708   8.269  -1.356
  185   HH21  ARG  19          1HH2      ARG  19  -6.484   7.239   0.580
  186   HH22  ARG  19          2HH2      ARG  19  -5.713   8.620  -0.091
  187    H    CYS  20           H        CYS  20  -7.701   3.451   1.798
  188    HA   CYS  20           HA       CYS  20  -9.654   1.345   1.259
  189    HB2  CYS  20           1HB      CYS  20  -9.572   3.198   3.634
  190    HB3  CYS  20           2HB      CYS  20 -11.073   2.489   3.072
  191    H    TRP  21           H        TRP  21 -11.785   2.281   0.544
  192    HA   TRP  21           HA       TRP  21 -11.371   4.397  -1.278
  193    HD1  TRP  21           1HD      TRP  21 -15.974   4.016  -1.947
  194    HE1  TRP  21           HE1      TRP  21 -17.774   4.272  -0.035
  195    HE3  TRP  21           HE3      TRP  21 -12.770   3.149   1.905
  196    HZ2  TRP  21           HZ2      TRP  21 -17.658   4.087   2.811
  197    HZ3  TRP  21           HZ3      TRP  21 -13.695   3.205   4.219
  198    HH2  TRP  21           2HH      TRP  21 -16.048   3.654   4.703
  199    HB2  TRP  21           1HB      TRP  21 -13.353   3.797  -2.141
  200    HB3  TRP  21           2HB      TRP  21 -13.061   2.346  -1.203
  Start of MODEL   11
    1    HA   ARG   1           HA       ARG   1 -15.536   2.332   1.322
    2    HE   ARG   1           HE       ARG   1 -18.288   0.631   5.903
    3    H1   ARG   1           1H       ARG   1 -16.857   2.814  -0.504
    4    H2   ARG   1           2H       ARG   1 -15.470   2.038  -0.963
    5    H3   ARG   1           3H       ARG   1 -16.909   1.222  -0.958
    6    HB2  ARG   1           1HB      ARG   1 -18.081   2.268   1.459
    7    HB3  ARG   1           2HB      ARG   1 -18.006   0.526   1.276
    8    HG2  ARG   1           1HG      ARG   1 -16.221   0.842   3.326
    9    HG3  ARG   1           2HG      ARG   1 -17.255   2.225   3.627
   10    HD2  ARG   1           1HD      ARG   1 -19.248   0.795   3.741
   11    HD3  ARG   1           2HD      ARG   1 -18.331  -0.606   3.223
   12   HH11  ARG   1          1HH1      ARG   1 -16.738  -1.660   3.688
   13   HH12  ARG   1          2HH1      ARG   1 -15.936  -2.531   4.952
   14   HH21  ARG   1          1HH2      ARG   1 -17.257  -0.490   7.521
   15   HH22  ARG   1          2HH2      ARG   1 -16.240  -1.842   7.227
   16    H    TRP   2           H        TRP   2 -13.763   1.020  -0.019
   17    HA   TRP   2           HA       TRP   2 -13.598  -1.575   1.258
   18    HD1  TRP   2           HD1      TRP   2 -11.558  -3.244  -2.272
   19    HE1  TRP   2           HE1      TRP   2 -10.542  -2.036  -4.387
   20    HE3  TRP   2           HE3      TRP   2 -14.497   0.894  -1.972
   21    HZ2  TRP   2           HZ2      TRP   2 -11.070   0.459  -5.668
   22    HZ3  TRP   2           HZ3      TRP   2 -14.182   2.669  -3.694
   23    HH2  TRP   2           HH2      TRP   2 -12.539   2.501  -5.496
   24    HB2  TRP   2           1HB      TRP   2 -13.530  -2.898  -0.582
   25    HB3  TRP   2           2HB      TRP   2 -14.732  -1.729  -1.092
   26    H    CYS   3           H        CYS   3 -11.314  -2.400   1.119
   27    HA   CYS   3           HA       CYS   3  -9.453  -0.233   0.479
   28    HB2  CYS   3           1HB      CYS   3  -9.058  -2.093   2.816
   29    HB3  CYS   3           2HB      CYS   3  -8.176  -0.630   2.426
   30    H    VAL   4           H        VAL   4  -7.335  -1.005  -0.263
   31    HA   VAL   4           HA       VAL   4  -7.176  -3.875  -0.764
   32    HB   VAL   4           HB       VAL   4  -6.646  -3.556  -3.079
   33   HG11  VAL   4          1HG1      VAL   4  -8.791  -3.252  -3.879
   34   HG12  VAL   4          2HG1      VAL   4  -9.112  -3.542  -2.152
   35   HG13  VAL   4          3HG1      VAL   4  -9.122  -1.881  -2.793
   36   HG21  VAL   4          3HG2      VAL   4  -5.618  -1.235  -2.676
   37   HG22  VAL   4          1HG2      VAL   4  -6.501  -1.490  -4.200
   38   HG23  VAL   4          2HG2      VAL   4  -7.273  -0.606  -2.862
   39    H    TYR   5           H        TYR   5  -4.973  -4.619  -1.116
   40    HA   TYR   5           HA       TYR   5  -3.062  -2.796   0.137
   41    HD1  TYR   5           HD2      TYR   5  -4.774  -3.717   1.614
   42    HD2  TYR   5           HD1      TYR   5  -3.498  -7.626   0.435
   43    HE1  TYR   5           HE2      TYR   5  -6.681  -4.748   2.943
   44    HE2  TYR   5           HE1      TYR   5  -5.409  -8.644   1.768
   45    HH   TYR   5           HH       TYR   5  -7.814  -7.671   2.494
   46    HB2  TYR   5           1HB      TYR   5  -2.571  -5.700  -0.626
   47    HB3  TYR   5           2HB      TYR   5  -2.024  -4.854   0.809
   48    H    ALA   6           H        ALA   6  -1.132  -2.170  -0.840
   49    HA   ALA   6           HA       ALA   6  -0.443  -3.328  -3.401
   50    HB1  ALA   6           3HB      ALA   6  -0.280  -0.584  -3.920
   51    HB2  ALA   6           1HB      ALA   6  -1.485  -1.715  -4.581
   52    HB3  ALA   6           2HB      ALA   6  -1.854  -0.779  -3.112
   53    H    TYR   7           H        TYR   7   1.748  -2.590  -4.107
   54    HA   TYR   7           HA       TYR   7   3.342  -1.941  -1.734
   55    HD1  TYR   7           HD2      TYR   7   3.350  -4.371  -1.133
   56    HD2  TYR   7           HD1      TYR   7   3.455  -4.922  -5.374
   57    HE1  TYR   7           HE2      TYR   7   2.298  -6.670  -0.867
   58    HE2  TYR   7           HE1      TYR   7   2.403  -7.220  -5.094
   59    HH   TYR   7           HH       TYR   7   2.464  -8.953  -2.744
   60    HB2  TYR   7           1HB      TYR   7   4.238  -2.933  -4.495
   61    HB3  TYR   7           2HB      TYR   7   5.085  -3.141  -2.975
   62    H    VAL   8           H        VAL   8   5.014  -0.349  -1.831
   63    HA   VAL   8           HA       VAL   8   5.013   1.327  -4.221
   64    HB   VAL   8           HB       VAL   8   3.401   2.399  -2.852
   65   HG11  VAL   8          1HG1      VAL   8   4.729   1.215  -0.705
   66   HG12  VAL   8          2HG1      VAL   8   4.989   2.960  -0.470
   67   HG13  VAL   8          3HG1      VAL   8   3.335   2.317  -0.617
   68   HG21  VAL   8          3HG2      VAL   8   4.382   4.559  -2.510
   69   HG22  VAL   8          1HG2      VAL   8   6.008   3.857  -2.324
   70   HG23  VAL   8          2HG2      VAL   8   5.196   3.816  -3.908
   71    H    ARG   9           H        ARG   9   6.937   2.806  -4.256
   72    HA   ARG   9           HA       ARG   9   9.145   1.360  -3.114
   73    HE   ARG   9           HE       ARG   9  10.617   4.893  -6.668
   74    HB2  ARG   9           1HB      ARG   9   9.675   1.826  -5.339
   75    HB3  ARG   9           2HB      ARG   9   8.757   3.318  -5.360
   76    HG2  ARG   9           1HG      ARG   9  10.501   4.577  -4.413
   77    HG3  ARG   9           2HG      ARG   9  11.208   3.193  -3.603
   78    HD2  ARG   9           1HD      ARG   9  12.741   3.424  -5.336
   79    HD3  ARG   9           2HD      ARG   9  11.609   2.337  -6.116
   80   HH11  ARG   9          1HH1      ARG   9  13.673   3.199  -7.253
   81   HH12  ARG   9          2HH1      ARG   9  14.037   4.093  -8.691
   82   HH21  ARG   9          1HH2      ARG   9  11.087   6.038  -8.513
   83   HH22  ARG   9          2HH2      ARG   9  12.508   5.778  -9.444
   84    H    ILE  10           H        ILE  10   9.713   1.978  -1.041
   85    HA   ILE  10           HA       ILE  10   9.933   4.862  -0.562
   86    HB   ILE  10           HB       ILE  10   8.612   2.779   1.161
   87   HG12  ILE  10          1HG1      ILE  10   7.604   4.631  -0.645
   88   HG13  ILE  10          2HG1      ILE  10   6.705   3.776   0.592
   89   HG21  ILE  10          1HG2      ILE  10   8.593   4.334   3.008
   90   HG22  ILE  10          2HG2      ILE  10  10.274   4.011   2.522
   91   HG23  ILE  10          3HG2      ILE  10   9.490   5.539   2.053
   92   HD11  ILE  10          3HD1      ILE  10   7.190   5.606   2.220
   93   HD12  ILE  10          1HD1      ILE  10   8.082   6.478   0.950
   94   HD13  ILE  10          2HD1      ILE  10   6.330   6.208   0.783
   95    H    ARG  11           H        ARG  11  11.902   5.478   0.194
   96    HA   ARG  11           HA       ARG  11  13.934   5.371   0.917
   97    HE   ARG  11           HE       ARG  11  11.948   5.049   5.422
   98    HB2  ARG  11           1HB      ARG  11  12.664   3.138   2.478
   99    HB3  ARG  11           2HB      ARG  11  14.416   3.170   2.467
  100    HG2  ARG  11           1HG      ARG  11  14.226   5.677   3.106
  101    HG3  ARG  11           2HG      ARG  11  12.528   5.367   3.413
  102    HD2  ARG  11           1HD      ARG  11  14.224   3.329   4.685
  103    HD3  ARG  11           2HD      ARG  11  14.671   4.940   5.209
  104   HH11  ARG  11          1HH1      ARG  11  14.282   2.629   6.540
  105   HH12  ARG  11          2HH1      ARG  11  13.315   2.140   7.891
  106   HH21  ARG  11          1HH2      ARG  11  10.711   4.418   7.156
  107   HH22  ARG  11          2HH2      ARG  11  11.196   3.197   8.263
  108    H    GLY  12           H        GLY  12  13.304   4.202  -1.658
  109    HA3  GLY  12           2HA      GLY  12  15.717   2.885  -2.249
  110    H    VAL  13           H        VAL  13  12.729   1.731  -0.870
  111    HA   VAL  13           HA       VAL  13  13.418  -1.007  -1.680
  112    HB   VAL  13           HB       VAL  13  12.348  -0.337   1.042
  113   HG11  VAL  13          1HG1      VAL  13  13.986  -2.451   1.372
  114   HG12  VAL  13          2HG1      VAL  13  12.276  -2.606   0.901
  115   HG13  VAL  13          3HG1      VAL  13  13.552  -2.682  -0.339
  116   HG21  VAL  13          3HG2      VAL  13  15.070   0.218   0.016
  117   HG22  VAL  13          1HG2      VAL  13  14.205   0.898   1.416
  118   HG23  VAL  13          2HG2      VAL  13  15.000  -0.690   1.546
  119    H    LEU  14           H        LEU  14  11.527  -2.537  -1.439
  120    HA   LEU  14           HA       LEU  14   9.103  -1.094  -2.214
  121    HG   LEU  14           HG       LEU  14   7.660  -3.900  -3.744
  122    HB2  LEU  14           1HB      LEU  14  10.338  -2.906  -3.637
  123    HB3  LEU  14           2HB      LEU  14   9.535  -4.038  -2.567
  124   HD11  LEU  14          1HD1      LEU  14   6.329  -1.919  -3.916
  125   HD12  LEU  14          2HD1      LEU  14   7.132  -1.910  -2.327
  126   HD13  LEU  14          3HD1      LEU  14   7.745  -0.876  -3.640
  127   HD21  LEU  14          3HD2      LEU  14   9.182  -1.951  -5.496
  128   HD22  LEU  14          1HD2      LEU  14   9.138  -3.723  -5.655
  129   HD23  LEU  14          2HD2      LEU  14   7.663  -2.767  -5.937
  130    H    VAL  15           H        VAL  15   7.632  -0.771  -0.641
  131    HA   VAL  15           HA       VAL  15   7.416  -2.875   1.401
  132    HB   VAL  15           HB       VAL  15   6.662  -0.031   1.934
  133   HG11  VAL  15          1HG1      VAL  15   7.234  -2.502   3.467
  134   HG12  VAL  15          2HG1      VAL  15   7.847  -0.991   4.182
  135   HG13  VAL  15          3HG1      VAL  15   6.113  -1.164   3.816
  136   HG21  VAL  15          3HG2      VAL  15   8.913   0.130   0.961
  137   HG22  VAL  15          1HG2      VAL  15   8.935   0.481   2.706
  138   HG23  VAL  15          2HG2      VAL  15   9.501  -1.097   2.109
  139    H    ARG  16           H        ARG  16   5.279  -3.411   2.110
  140    HA   ARG  16           HA       ARG  16   3.339  -2.781   0.074
  141    HE   ARG  16           HE       ARG  16   4.079  -7.789   2.929
  142    HB2  ARG  16           1HB      ARG  16   2.754  -4.657   2.370
  143    HB3  ARG  16           2HB      ARG  16   2.234  -4.767   0.700
  144    HG2  ARG  16           1HG      ARG  16   4.700  -5.190   0.083
  145    HG3  ARG  16           2HG      ARG  16   5.021  -5.340   1.799
  146    HD2  ARG  16           1HD      ARG  16   2.709  -6.967   1.171
  147    HD3  ARG  16           2HD      ARG  16   3.969  -7.337   0.010
  148   HH11  ARG  16          1HH1      ARG  16   5.877  -7.718  -0.124
  149   HH12  ARG  16          2HH1      ARG  16   7.178  -8.691   0.477
  150   HH21  ARG  16          1HH2      ARG  16   5.750  -9.037   3.695
  151   HH22  ARG  16          2HH2      ARG  16   7.110  -9.476   2.740
  152    H    TYR  17           H        TYR  17   1.165  -2.004   0.629
  153    HA   TYR  17           HA       TYR  17   0.743  -1.135   3.363
  154    HD1  TYR  17           HD2      TYR  17  -1.312   1.578   0.910
  155    HD2  TYR  17           HD1      TYR  17   2.606   0.288  -0.224
  156    HE1  TYR  17           HE2      TYR  17  -1.806   2.182  -1.509
  157    HE2  TYR  17           HE1      TYR  17   2.099   0.896  -2.640
  158    HH   TYR  17           HH       TYR  17  -0.091   2.877  -3.576
  159    HB2  TYR  17           1HB      TYR  17   0.438   1.218   2.590
  160    HB3  TYR  17           2HB      TYR  17   2.040   0.683   2.124
  161    H    ARG  18           H        ARG  18  -1.510  -0.119   3.583
  162    HA   ARG  18           HA       ARG  18  -3.241  -1.274   1.549
  163    HE   ARG  18           HE       ARG  18  -4.873  -3.190   5.504
  164    HB2  ARG  18           1HB      ARG  18  -3.840  -1.149   4.546
  165    HB3  ARG  18           2HB      ARG  18  -4.843  -1.903   3.323
  166    HG2  ARG  18           1HG      ARG  18  -3.600  -3.813   3.331
  167    HG3  ARG  18           2HG      ARG  18  -2.091  -2.928   3.216
  168    HD2  ARG  18           1HD      ARG  18  -2.152  -4.180   5.336
  169    HD3  ARG  18           2HD      ARG  18  -2.171  -2.461   5.673
  170   HH11  ARG  18          1HH1      ARG  18  -2.106  -4.150   7.498
  171   HH12  ARG  18          2HH1      ARG  18  -3.080  -4.564   8.870
  172   HH21  ARG  18          1HH2      ARG  18  -6.118  -3.724   7.265
  173   HH22  ARG  18          2HH2      ARG  18  -5.460  -4.314   8.738
  174    H    ARG  19           H        ARG  19  -4.854   0.111   0.775
  175    HA   ARG  19           HA       ARG  19  -5.200   2.572   2.291
  176    HE   ARG  19           HE       ARG  19  -5.171   5.452   0.680
  177    HB2  ARG  19           1HB      ARG  19  -4.847   2.171  -0.708
  178    HB3  ARG  19           2HB      ARG  19  -5.640   3.604  -0.085
  179    HG2  ARG  19           1HG      ARG  19  -3.440   3.632   1.510
  180    HG3  ARG  19           2HG      ARG  19  -2.761   2.772   0.142
  181    HD2  ARG  19           1HD      ARG  19  -2.376   5.148  -0.216
  182    HD3  ARG  19           2HD      ARG  19  -3.581   4.628  -1.377
  183   HH11  ARG  19          1HH1      ARG  19  -2.387   7.009  -0.864
  184   HH12  ARG  19          2HH1      ARG  19  -2.949   8.615  -0.540
  185   HH21  ARG  19          1HH2      ARG  19  -5.887   7.514   1.093
  186   HH22  ARG  19          2HH2      ARG  19  -5.024   8.921   0.620
  187    H    CYS  20           H        CYS  20  -7.357   3.689   1.777
  188    HA   CYS  20           HA       CYS  20  -9.351   1.667   1.049
  189    HB2  CYS  20           1HB      CYS  20  -9.550   3.833   3.152
  190    HB3  CYS  20           2HB      CYS  20 -10.896   2.853   2.607
  191    H    TRP  21           H        TRP  21 -11.335   2.615   0.018
  192    HA   TRP  21           HA       TRP  21 -10.627   4.531  -1.930
  193    HD1  TRP  21           1HD      TRP  21 -15.136   4.310  -3.067
  194    HE1  TRP  21           HE1      TRP  21 -17.116   4.821  -1.399
  195    HE3  TRP  21           HE3      TRP  21 -12.431   3.619   1.183
  196    HZ2  TRP  21           HZ2      TRP  21 -17.325   4.877   1.446
  197    HZ3  TRP  21           HZ3      TRP  21 -13.599   3.922   3.364
  198    HH2  TRP  21           2HH      TRP  21 -15.960   4.529   3.538
  199    HB2  TRP  21           1HB      TRP  21 -12.533   3.930  -2.946
  200    HB3  TRP  21           2HB      TRP  21 -12.421   2.567  -1.849
  Start of MODEL   12
    1    HA   ARG   1           HA       ARG   1 -15.628   2.153   1.412
    2    HE   ARG   1           HE       ARG   1 -17.223  -1.120   5.603
    3    H1   ARG   1           1H       ARG   1 -17.029   2.550  -0.375
    4    H2   ARG   1           2H       ARG   1 -15.643   1.793  -0.866
    5    H3   ARG   1           3H       ARG   1 -17.062   0.946  -0.781
    6    HB2  ARG   1           1HB      ARG   1 -18.145   2.057   1.684
    7    HB3  ARG   1           2HB      ARG   1 -18.076   0.317   1.483
    8    HG2  ARG   1           1HG      ARG   1 -16.159   0.767   3.465
    9    HG3  ARG   1           2HG      ARG   1 -17.379   1.968   3.842
   10    HD2  ARG   1           1HD      ARG   1 -19.137   0.222   3.892
   11    HD3  ARG   1           2HD      ARG   1 -17.980  -0.997   3.397
   12   HH11  ARG   1          1HH1      ARG   1 -18.899   1.971   5.168
   13   HH12  ARG   1          2HH1      ARG   1 -18.795   2.404   6.842
   14   HH21  ARG   1          1HH2      ARG   1 -17.092  -0.560   7.749
   15   HH22  ARG   1          2HH2      ARG   1 -17.725   0.908   8.378
   16    H    TRP   2           H        TRP   2 -13.853   0.859   0.094
   17    HA   TRP   2           HA       TRP   2 -13.605  -1.710   1.408
   18    HD1  TRP   2           HD1      TRP   2 -11.561  -3.372  -2.112
   19    HE1  TRP   2           HE1      TRP   2 -10.620  -2.180  -4.270
   20    HE3  TRP   2           HE3      TRP   2 -14.650   0.660  -1.871
   21    HZ2  TRP   2           HZ2      TRP   2 -11.259   0.260  -5.604
   22    HZ3  TRP   2           HZ3      TRP   2 -14.426   2.401  -3.641
   23    HH2  TRP   2           HH2      TRP   2 -12.803   2.249  -5.461
   24    HB2  TRP   2           1HB      TRP   2 -13.534  -3.062  -0.411
   25    HB3  TRP   2           2HB      TRP   2 -14.774  -1.933  -0.920
   26    H    CYS   3           H        CYS   3 -11.307  -2.478   1.259
   27    HA   CYS   3           HA       CYS   3  -9.506  -0.288   0.531
   28    HB2  CYS   3           1HB      CYS   3  -9.025  -2.057   2.920
   29    HB3  CYS   3           2HB      CYS   3  -8.204  -0.574   2.476
   30    H    VAL   4           H        VAL   4  -7.416  -1.021  -0.271
   31    HA   VAL   4           HA       VAL   4  -7.160  -3.905  -0.634
   32    HB   VAL   4           HB       VAL   4  -6.717  -3.679  -2.981
   33   HG11  VAL   4          1HG1      VAL   4  -9.111  -3.862  -2.093
   34   HG12  VAL   4          2HG1      VAL   4  -9.277  -2.138  -2.502
   35   HG13  VAL   4          3HG1      VAL   4  -8.914  -3.325  -3.778
   36   HG21  VAL   4          3HG2      VAL   4  -7.458  -0.750  -2.873
   37   HG22  VAL   4          1HG2      VAL   4  -5.773  -1.307  -2.733
   38   HG23  VAL   4          2HG2      VAL   4  -6.709  -1.664  -4.204
   39    H    TYR   5           H        TYR   5  -4.940  -4.579  -1.046
   40    HA   TYR   5           HA       TYR   5  -3.070  -2.690   0.140
   41    HD1  TYR   5           HD2      TYR   5  -4.737  -3.782   1.539
   42    HD2  TYR   5           HD1      TYR   5  -3.141  -7.551   0.294
   43    HE1  TYR   5           HE2      TYR   5  -6.521  -4.991   2.888
   44    HE2  TYR   5           HE1      TYR   5  -4.930  -8.747   1.646
   45    HH   TYR   5           HH       TYR   5  -7.074  -6.965   3.775
   46    HB2  TYR   5           1HB      TYR   5  -2.447  -5.517  -0.795
   47    HB3  TYR   5           2HB      TYR   5  -1.889  -4.714   0.660
   48    H    ALA   6           H        ALA   6  -1.073  -2.096  -0.832
   49    HA   ALA   6           HA       ALA   6  -0.588  -2.974  -3.546
   50    HB1  ALA   6           3HB      ALA   6  -1.860  -1.205  -4.286
   51    HB2  ALA   6           1HB      ALA   6  -1.613  -0.262  -2.797
   52    HB3  ALA   6           2HB      ALA   6  -0.324  -0.344  -4.022
   53    H    TYR   7           H        TYR   7   1.590  -2.227  -4.303
   54    HA   TYR   7           HA       TYR   7   3.350  -1.948  -1.976
   55    HD1  TYR   7           HD1      TYR   7   4.331  -4.737  -1.863
   56    HD2  TYR   7           HD2      TYR   7   2.239  -4.193  -5.555
   57    HE1  TYR   7           HE1      TYR   7   3.322  -7.061  -1.642
   58    HE2  TYR   7           HE2      TYR   7   1.238  -6.518  -5.322
   59    HH   TYR   7           HH       TYR   7   2.018  -8.699  -4.102
   60    HB2  TYR   7           1HB      TYR   7   3.946  -2.650  -4.911
   61    HB3  TYR   7           2HB      TYR   7   4.989  -2.967  -3.539
   62    H    VAL   8           H        VAL   8   5.071  -0.412  -1.967
   63    HA   VAL   8           HA       VAL   8   5.059   1.533  -4.136
   64    HB   VAL   8           HB       VAL   8   3.491   2.503  -2.657
   65   HG11  VAL   8          1HG1      VAL   8   3.570   2.547  -0.342
   66   HG12  VAL   8          2HG1      VAL   8   4.333   0.978  -0.695
   67   HG13  VAL   8          3HG1      VAL   8   5.342   2.388  -0.290
   68   HG21  VAL   8          3HG2      VAL   8   6.207   3.745  -2.098
   69   HG22  VAL   8          1HG2      VAL   8   5.189   4.047  -3.527
   70   HG23  VAL   8          2HG2      VAL   8   4.630   4.550  -1.913
   71    H    ARG   9           H        ARG   9   7.038   2.854  -4.161
   72    HA   ARG   9           HA       ARG   9   9.192   1.312  -3.020
   73    HE   ARG   9           HE       ARG   9  10.828   2.855  -7.595
   74    HB2  ARG   9           1HB      ARG   9   9.737   1.681  -5.258
   75    HB3  ARG   9           2HB      ARG   9   8.876   3.206  -5.331
   76    HG2  ARG   9           1HG      ARG   9  10.664   4.422  -4.369
   77    HG3  ARG   9           2HG      ARG   9  11.357   3.004  -3.608
   78    HD2  ARG   9           1HD      ARG   9  12.700   3.766  -5.581
   79    HD3  ARG   9           2HD      ARG   9  12.108   2.129  -5.782
   80   HH11  ARG   9          1HH1      ARG   9  11.648   5.671  -5.607
   81   HH12  ARG   9          2HH1      ARG   9  10.966   6.810  -6.720
   82   HH21  ARG   9          1HH2      ARG   9   9.955   4.319  -9.019
   83   HH22  ARG   9          2HH2      ARG   9   9.961   6.015  -8.745
   84    H    ILE  10           H        ILE  10   9.939   1.977  -1.029
   85    HA   ILE  10           HA       ILE  10  10.276   4.853  -0.635
   86    HB   ILE  10           HB       ILE  10   8.645   2.974   1.011
   87   HG12  ILE  10          1HG1      ILE  10   8.107   5.175  -0.601
   88   HG13  ILE  10          2HG1      ILE  10   7.010   4.402   0.525
   89   HG21  ILE  10          1HG2      ILE  10  10.310   5.246   2.112
   90   HG22  ILE  10          2HG2      ILE  10   8.876   4.588   2.937
   91   HG23  ILE  10          3HG2      ILE  10  10.284   3.543   2.630
   92   HD11  ILE  10          3HD1      ILE  10   7.335   6.932   0.825
   93   HD12  ILE  10          1HD1      ILE  10   7.556   5.945   2.289
   94   HD13  ILE  10          2HD1      ILE  10   8.975   6.556   1.406
   95    H    ARG  11           H        ARG  11  12.244   5.379   0.220
   96    HA   ARG  11           HA       ARG  11  14.248   5.157   0.995
   97    HE   ARG  11           HE       ARG  11  14.763   3.386   5.318
   98    HB2  ARG  11           1HB      ARG  11  12.855   2.932   2.484
   99    HB3  ARG  11           2HB      ARG  11  14.605   2.972   2.559
  100    HG2  ARG  11           1HG      ARG  11  13.196   5.583   3.014
  101    HG3  ARG  11           2HG      ARG  11  13.011   4.372   4.268
  102    HD2  ARG  11           1HD      ARG  11  15.784   4.910   3.187
  103    HD3  ARG  11           2HD      ARG  11  15.079   6.073   4.291
  104   HH11  ARG  11          1HH1      ARG  11  17.165   5.962   4.935
  105   HH12  ARG  11          2HH1      ARG  11  18.124   5.438   6.279
  106   HH21  ARG  11          1HH2      ARG  11  15.996   2.717   7.041
  107   HH22  ARG  11          2HH2      ARG  11  17.436   3.514   7.532
  108    H    GLY  12           H        GLY  12  13.624   4.048  -1.605
  109    HA3  GLY  12           2HA      GLY  12  15.975   2.616  -2.157
  110    H    VAL  13           H        VAL  13  12.940   1.591  -0.802
  111    HA   VAL  13           HA       VAL  13  13.505  -1.171  -1.627
  112    HB   VAL  13           HB       VAL  13  12.431  -0.471   1.085
  113   HG11  VAL  13          1HG1      VAL  13  13.314  -2.861  -0.334
  114   HG12  VAL  13          2HG1      VAL  13  14.144  -2.666   1.228
  115   HG13  VAL  13          3HG1      VAL  13  12.366  -2.706   1.164
  116   HG21  VAL  13          3HG2      VAL  13  15.077  -0.938   1.595
  117   HG22  VAL  13          1HG2      VAL  13  15.170   0.018   0.097
  118   HG23  VAL  13          2HG2      VAL  13  14.325   0.674   1.520
  119    H    LEU  14           H        LEU  14  11.538  -2.615  -1.393
  120    HA   LEU  14           HA       LEU  14   9.193  -1.060  -2.198
  121    HG   LEU  14           HG       LEU  14   7.635  -3.762  -3.771
  122    HB2  LEU  14           1HB      LEU  14  10.370  -2.942  -3.597
  123    HB3  LEU  14           2HB      LEU  14   9.469  -4.020  -2.549
  124   HD11  LEU  14          1HD1      LEU  14   6.443  -1.700  -3.982
  125   HD12  LEU  14          2HD1      LEU  14   7.207  -1.732  -2.374
  126   HD13  LEU  14          3HD1      LEU  14   7.917  -0.749  -3.678
  127   HD21  LEU  14          3HD2      LEU  14   9.298  -1.906  -5.496
  128   HD22  LEU  14          1HD2      LEU  14   9.202  -3.678  -5.633
  129   HD23  LEU  14          2HD2      LEU  14   7.767  -2.680  -5.970
  130    H    VAL  15           H        VAL  15   7.669  -0.710  -0.685
  131    HA   VAL  15           HA       VAL  15   7.386  -2.769   1.394
  132    HB   VAL  15           HB       VAL  15   6.733   0.143   1.769
  133   HG11  VAL  15          1HG1      VAL  15   5.859  -1.568   3.368
  134   HG12  VAL  15          2HG1      VAL  15   7.540  -2.004   3.758
  135   HG13  VAL  15          3HG1      VAL  15   6.938  -0.368   4.120
  136   HG21  VAL  15          3HG2      VAL  15   8.969   0.434   1.264
  137   HG22  VAL  15          1HG2      VAL  15   9.052   0.112   3.013
  138   HG23  VAL  15          2HG2      VAL  15   9.427  -1.183   1.851
  139    H    ARG  16           H        ARG  16   5.213  -3.216   2.113
  140    HA   ARG  16           HA       ARG  16   3.324  -2.616   0.010
  141    HE   ARG  16           HE       ARG  16   5.601  -7.099  -0.128
  142    HB2  ARG  16           1HB      ARG  16   2.693  -4.494   2.293
  143    HB3  ARG  16           2HB      ARG  16   2.197  -4.598   0.615
  144    HG2  ARG  16           1HG      ARG  16   4.721  -4.981   0.077
  145    HG3  ARG  16           2HG      ARG  16   4.926  -5.249   1.797
  146    HD2  ARG  16           1HD      ARG  16   3.510  -7.178   1.793
  147    HD3  ARG  16           2HD      ARG  16   2.778  -6.753   0.258
  148   HH11  ARG  16          1HH1      ARG  16   2.689  -9.009   0.527
  149   HH12  ARG  16          2HH1      ARG  16   3.313 -10.444  -0.214
  150   HH21  ARG  16          1HH2      ARG  16   6.397  -8.943  -1.078
  151   HH22  ARG  16          2HH2      ARG  16   5.512 -10.412  -1.168
  152    H    TYR  17           H        TYR  17   1.096  -1.918   0.572
  153    HA   TYR  17           HA       TYR  17   0.689  -0.985   3.287
  154    HD1  TYR  17           HD2      TYR  17  -1.479   1.603   0.799
  155    HD2  TYR  17           HD1      TYR  17   2.451   0.385  -0.372
  156    HE1  TYR  17           HE2      TYR  17  -2.032   2.126  -1.626
  157    HE2  TYR  17           HE1      TYR  17   1.885   0.913  -2.794
  158    HH   TYR  17           HH       TYR  17   0.447   1.884  -4.133
  159    HB2  TYR  17           1HB      TYR  17   0.308   1.336   2.456
  160    HB3  TYR  17           2HB      TYR  17   1.916   0.831   1.975
  161    H    ARG  18           H        ARG  18  -1.593   0.117   3.409
  162    HA   ARG  18           HA       ARG  18  -3.319  -1.172   1.460
  163    HE   ARG  18           HE       ARG  18  -4.960  -3.455   5.286
  164    HB2  ARG  18           1HB      ARG  18  -3.882  -1.040   4.464
  165    HB3  ARG  18           2HB      ARG  18  -4.884  -1.824   3.259
  166    HG2  ARG  18           1HG      ARG  18  -3.558  -3.690   3.187
  167    HG3  ARG  18           2HG      ARG  18  -2.076  -2.756   3.193
  168    HD2  ARG  18           1HD      ARG  18  -2.062  -3.957   5.267
  169    HD3  ARG  18           2HD      ARG  18  -2.498  -2.316   5.698
  170   HH11  ARG  18          1HH1      ARG  18  -2.164  -4.494   7.199
  171   HH12  ARG  18          2HH1      ARG  18  -3.121  -5.343   8.366
  172   HH21  ARG  18          1HH2      ARG  18  -6.184  -4.546   6.785
  173   HH22  ARG  18          2HH2      ARG  18  -5.506  -5.378   8.127
  174    H    ARG  19           H        ARG  19  -4.951   0.181   0.681
  175    HA   ARG  19           HA       ARG  19  -5.335   2.644   2.183
  176    HE   ARG  19           HE       ARG  19  -5.399   5.506   0.552
  177    HB2  ARG  19           1HB      ARG  19  -5.034   2.209  -0.816
  178    HB3  ARG  19           2HB      ARG  19  -5.850   3.632  -0.200
  179    HG2  ARG  19           1HG      ARG  19  -3.622   3.737   1.353
  180    HG3  ARG  19           2HG      ARG  19  -2.948   2.875  -0.016
  181    HD2  ARG  19           1HD      ARG  19  -2.628   5.251  -0.420
  182    HD3  ARG  19           2HD      ARG  19  -3.849   4.688  -1.544
  183   HH11  ARG  19          1HH1      ARG  19  -2.717   7.101  -1.128
  184   HH12  ARG  19          2HH1      ARG  19  -3.314   8.698  -0.824
  185   HH21  ARG  19          1HH2      ARG  19  -6.159   7.557   0.940
  186   HH22  ARG  19          2HH2      ARG  19  -5.354   8.976   0.401
  187    H    CYS  20           H        CYS  20  -7.527   3.709   1.701
  188    HA   CYS  20           HA       CYS  20  -9.492   1.631   1.055
  189    HB2  CYS  20           1HB      CYS  20  -9.700   3.848   3.102
  190    HB3  CYS  20           2HB      CYS  20 -11.030   2.815   2.615
  191    H    TRP  21           H        TRP  21 -11.511   2.506   0.034
  192    HA   TRP  21           HA       TRP  21 -10.882   4.392  -1.970
  193    HD1  TRP  21           1HD      TRP  21 -15.403   4.031  -3.026
  194    HE1  TRP  21           HE1      TRP  21 -17.368   4.533  -1.337
  195    HE3  TRP  21           HE3      TRP  21 -12.611   3.513   1.193
  196    HZ2  TRP  21           HZ2      TRP  21 -17.530   4.654   1.510
  197    HZ3  TRP  21           HZ3      TRP  21 -13.750   3.840   3.386
  198    HH2  TRP  21           2HH      TRP  21 -16.122   4.392   3.586
  199    HB2  TRP  21           1HB      TRP  21 -12.789   3.720  -2.940
  200    HB3  TRP  21           2HB      TRP  21 -12.626   2.387  -1.814
  Start of MODEL   13
    1    HA   ARG   1           HA       ARG   1 -15.825   1.963  -0.070
    2    HE   ARG   1           HE       ARG   1 -18.792  -0.930   4.923
    3    H1   ARG   1           1H       ARG   1 -18.108   1.911  -0.383
    4    H2   ARG   1           2H       ARG   1 -17.349   0.818  -1.366
    5    H3   ARG   1           3H       ARG   1 -18.177   0.294  -0.033
    6    HB2  ARG   1           1HB      ARG   1 -15.873   1.996   2.316
    7    HB3  ARG   1           2HB      ARG   1 -17.546   2.245   1.861
    8    HG2  ARG   1           1HG      ARG   1 -17.885  -0.287   2.088
    9    HG3  ARG   1           2HG      ARG   1 -16.270  -0.377   2.762
   10    HD2  ARG   1           1HD      ARG   1 -17.002   1.349   4.512
   11    HD3  ARG   1           2HD      ARG   1 -18.636   1.181   3.903
   12   HH11  ARG   1          1HH1      ARG   1 -15.403   0.101   4.886
   13   HH12  ARG   1          2HH1      ARG   1 -14.870  -1.186   5.915
   14   HH21  ARG   1          1HH2      ARG   1 -18.105  -2.580   6.242
   15   HH22  ARG   1          2HH2      ARG   1 -16.467  -2.780   6.723
   16    H    TRP   2           H        TRP   2 -13.920   0.816  -0.298
   17    HA   TRP   2           HA       TRP   2 -13.792  -1.903   0.691
   18    HD1  TRP   2           HD1      TRP   2 -11.310  -3.021  -2.783
   19    HE1  TRP   2           HE1      TRP   2 -10.211  -1.521  -4.656
   20    HE3  TRP   2           HE3      TRP   2 -14.577   0.849  -2.336
   21    HZ2  TRP   2           HZ2      TRP   2 -10.819   1.058  -5.716
   22    HZ3  TRP   2           HZ3      TRP   2 -14.254   2.820  -3.828
   23    HH2  TRP   2           HH2      TRP   2 -12.453   2.963  -5.474
   24    HB2  TRP   2           1HB      TRP   2 -13.455  -3.002  -1.273
   25    HB3  TRP   2           2HB      TRP   2 -14.684  -1.848  -1.751
   26    H    CYS   3           H        CYS   3 -11.482  -2.646   0.721
   27    HA   CYS   3           HA       CYS   3  -9.637  -0.386   0.491
   28    HB2  CYS   3           1HB      CYS   3  -9.612  -2.420   2.728
   29    HB3  CYS   3           2HB      CYS   3  -8.501  -1.082   2.516
   30    H    VAL   4           H        VAL   4  -7.472  -1.009  -0.169
   31    HA   VAL   4           HA       VAL   4  -7.036  -3.825  -0.718
   32    HB   VAL   4           HB       VAL   4  -6.567  -3.503  -3.035
   33   HG11  VAL   4          1HG1      VAL   4  -8.802  -2.916  -3.908
   34   HG12  VAL   4          2HG1      VAL   4  -8.898  -3.976  -2.481
   35   HG13  VAL   4          3HG1      VAL   4  -9.234  -2.235  -2.322
   36   HG21  VAL   4          3HG2      VAL   4  -6.556  -1.469  -4.193
   37   HG22  VAL   4          1HG2      VAL   4  -7.468  -0.625  -2.918
   38   HG23  VAL   4          2HG2      VAL   4  -5.766  -1.072  -2.648
   39    H    TYR   5           H        TYR   5  -4.770  -4.329  -1.021
   40    HA   TYR   5           HA       TYR   5  -3.078  -2.280   0.190
   41    HD1  TYR   5           HD1      TYR   5  -4.488  -3.378   1.918
   42    HD2  TYR   5           HD2      TYR   5  -3.152  -7.113   0.315
   43    HE1  TYR   5           HE1      TYR   5  -6.267  -4.600   3.263
   44    HE2  TYR   5           HE2      TYR   5  -4.935  -8.322   1.665
   45    HH   TYR   5           HH       TYR   5  -6.195  -7.863   3.798
   46    HB2  TYR   5           1HB      TYR   5  -2.260  -5.119  -0.535
   47    HB3  TYR   5           2HB      TYR   5  -1.813  -4.198   0.887
   48    H    ALA   6           H        ALA   6  -0.976  -1.762  -0.690
   49    HA   ALA   6           HA       ALA   6  -0.410  -2.703  -3.367
   50    HB1  ALA   6           3HB      ALA   6  -0.114  -0.134  -3.958
   51    HB2  ALA   6           1HB      ALA   6  -1.698  -0.929  -4.130
   52    HB3  ALA   6           2HB      ALA   6  -1.356   0.074  -2.700
   53    H    TYR   7           H        TYR   7   1.800  -1.990  -4.066
   54    HA   TYR   7           HA       TYR   7   3.469  -1.567  -1.684
   55    HD1  TYR   7           HD2      TYR   7   3.396  -3.966  -1.043
   56    HD2  TYR   7           HD1      TYR   7   3.282  -4.581  -5.276
   57    HE1  TYR   7           HE2      TYR   7   2.221  -6.193  -0.695
   58    HE2  TYR   7           HE1      TYR   7   2.107  -6.807  -4.913
   59    HH   TYR   7           HH       TYR   7   1.149  -7.831  -1.664
   60    HB2  TYR   7           1HB      TYR   7   4.223  -2.633  -4.464
   61    HB3  TYR   7           2HB      TYR   7   5.117  -2.867  -2.975
   62    H    VAL   8           H        VAL   8   4.970   0.093  -1.632
   63    HA   VAL   8           HA       VAL   8   5.120   1.738  -4.061
   64    HB   VAL   8           HB       VAL   8   3.685   2.904  -2.601
   65   HG11  VAL   8          1HG1      VAL   8   3.639   2.331  -0.441
   66   HG12  VAL   8          2HG1      VAL   8   5.285   1.658  -0.514
   67   HG13  VAL   8          3HG1      VAL   8   5.047   3.395  -0.209
   68   HG21  VAL   8          3HG2      VAL   8   5.434   4.287  -3.627
   69   HG22  VAL   8          1HG2      VAL   8   4.965   4.923  -2.032
   70   HG23  VAL   8          2HG2      VAL   8   6.485   4.016  -2.216
   71    H    ARG   9           H        ARG   9   7.157   2.891  -4.343
   72    HA   ARG   9           HA       ARG   9   9.295   1.331  -3.235
   73    HE   ARG   9           HE       ARG   9  10.193   4.026  -7.149
   74    HB2  ARG   9           1HB      ARG   9   9.733   1.646  -5.504
   75    HB3  ARG   9           2HB      ARG   9   8.935   3.206  -5.554
   76    HG2  ARG   9           1HG      ARG   9  10.824   4.352  -4.680
   77    HG3  ARG   9           2HG      ARG   9  11.512   2.897  -3.986
   78    HD2  ARG   9           1HD      ARG   9  12.750   3.619  -6.032
   79    HD3  ARG   9           2HD      ARG   9  12.057   2.021  -6.226
   80   HH11  ARG   9          1HH1      ARG   9  13.187   2.380  -8.088
   81   HH12  ARG   9          2HH1      ARG   9  12.920   2.597  -9.786
   82   HH21  ARG   9          1HH2      ARG   9   9.855   4.303  -9.327
   83   HH22  ARG   9          2HH2      ARG   9  10.946   3.736 -10.527
   84    H    ILE  10           H        ILE  10  10.036   1.987  -1.229
   85    HA   ILE  10           HA       ILE  10  10.654   4.828  -0.937
   86    HB   ILE  10           HB       ILE  10   8.993   3.148   0.927
   87   HG12  ILE  10          1HG1      ILE  10   8.348   5.034  -1.041
   88   HG13  ILE  10          2HG1      ILE  10   7.287   4.356   0.177
   89   HG21  ILE  10          1HG2      ILE  10   9.236   4.806   2.646
   90   HG22  ILE  10          2HG2      ILE  10  10.855   4.229   2.183
   91   HG23  ILE  10          3HG2      ILE  10  10.274   5.808   1.603
   92   HD11  ILE  10          3HD1      ILE  10   8.004   6.157   1.778
   93   HD12  ILE  10          1HD1      ILE  10   8.996   6.868   0.481
   94   HD13  ILE  10          2HD1      ILE  10   7.225   6.804   0.314
   95    H    ARG  11           H        ARG  11  12.648   5.200  -0.042
   96    HA   ARG  11           HA       ARG  11  14.616   4.810   0.758
   97    HE   ARG  11           HE       ARG  11  14.431   4.361   5.495
   98    HB2  ARG  11           1HB      ARG  11  13.243   2.469   2.168
   99    HB3  ARG  11           2HB      ARG  11  14.905   2.925   2.484
  100    HG2  ARG  11           1HG      ARG  11  12.671   4.977   2.684
  101    HG3  ARG  11           2HG      ARG  11  13.020   3.902   4.024
  102    HD2  ARG  11           1HD      ARG  11  15.455   5.161   2.898
  103    HD3  ARG  11           2HD      ARG  11  14.305   6.333   3.510
  104   HH11  ARG  11          1HH1      ARG  11  16.760   6.526   3.931
  105   HH12  ARG  11          2HH1      ARG  11  17.798   6.612   5.316
  106   HH21  ARG  11          1HH2      ARG  11  15.766   4.473   7.268
  107   HH22  ARG  11          2HH2      ARG  11  17.214   5.397   7.297
  108    H    GLY  12           H        GLY  12  13.901   3.714  -1.834
  109    HA3  GLY  12           2HA      GLY  12  16.128   2.089  -2.357
  110    H    VAL  13           H        VAL  13  12.999   1.336  -1.015
  111    HA   VAL  13           HA       VAL  13  13.320  -1.471  -1.807
  112    HB   VAL  13           HB       VAL  13  12.444  -0.652   0.947
  113   HG11  VAL  13          1HG1      VAL  13  13.513  -3.173  -0.336
  114   HG12  VAL  13          2HG1      VAL  13  13.485  -2.948   1.430
  115   HG13  VAL  13          3HG1      VAL  13  11.965  -2.917   0.504
  116   HG21  VAL  13          3HG2      VAL  13  14.479   0.231   1.317
  117   HG22  VAL  13          1HG2      VAL  13  15.055  -1.453   1.292
  118   HG23  VAL  13          2HG2      VAL  13  15.155  -0.457  -0.180
  119    H    LEU  14           H        LEU  14  11.238  -2.736  -1.454
  120    HA   LEU  14           HA       LEU  14   9.013  -0.985  -2.193
  121    HG   LEU  14           HG       LEU  14   7.156  -3.558  -3.660
  122    HB2  LEU  14           1HB      LEU  14   9.954  -2.981  -3.609
  123    HB3  LEU  14           2HB      LEU  14   9.007  -3.961  -2.508
  124   HD11  LEU  14          1HD1      LEU  14   7.695  -0.580  -3.617
  125   HD12  LEU  14          2HD1      LEU  14   6.133  -1.405  -3.839
  126   HD13  LEU  14          3HD1      LEU  14   6.968  -1.486  -2.268
  127   HD21  LEU  14          3HD2      LEU  14   8.624  -3.630  -5.592
  128   HD22  LEU  14          1HD2      LEU  14   7.290  -2.485  -5.873
  129   HD23  LEU  14          2HD2      LEU  14   8.914  -1.878  -5.469
  130    H    VAL  15           H        VAL  15   7.625  -0.458  -0.601
  131    HA   VAL  15           HA       VAL  15   7.323  -2.405   1.579
  132    HB   VAL  15           HB       VAL  15   6.518   0.451   1.855
  133   HG11  VAL  15          1HG1      VAL  15   7.371  -1.817   3.598
  134   HG12  VAL  15          2HG1      VAL  15   7.773  -0.168   4.137
  135   HG13  VAL  15          3HG1      VAL  15   6.078  -0.615   3.827
  136   HG21  VAL  15          3HG2      VAL  15   8.694   0.663   0.780
  137   HG22  VAL  15          1HG2      VAL  15   8.818   1.096   2.502
  138   HG23  VAL  15          2HG2      VAL  15   9.405  -0.487   1.937
  139    H    ARG  16           H        ARG  16   5.225  -2.995   2.250
  140    HA   ARG  16           HA       ARG  16   3.247  -2.435   0.223
  141    HE   ARG  16           HE       ARG  16   4.273  -7.533   2.908
  142    HB2  ARG  16           1HB      ARG  16   2.748  -4.341   2.515
  143    HB3  ARG  16           2HB      ARG  16   2.210  -4.456   0.851
  144    HG2  ARG  16           1HG      ARG  16   4.703  -4.778   0.218
  145    HG3  ARG  16           2HG      ARG  16   5.011  -4.983   1.931
  146    HD2  ARG  16           1HD      ARG  16   2.758  -6.646   1.308
  147    HD3  ARG  16           2HD      ARG  16   3.936  -6.911   0.038
  148   HH11  ARG  16          1HH1      ARG  16   5.835  -7.234  -0.258
  149   HH12  ARG  16          2HH1      ARG  16   7.199  -8.205   0.185
  150   HH21  ARG  16          1HH2      ARG  16   6.024  -8.779   3.472
  151   HH22  ARG  16          2HH2      ARG  16   7.317  -9.125   2.395
  152    H    TYR  17           H        TYR  17   1.108  -1.634   0.773
  153    HA   TYR  17           HA       TYR  17   0.686  -0.818   3.533
  154    HD1  TYR  17           HD1      TYR  17  -1.393   1.742   0.844
  155    HD2  TYR  17           HD2      TYR  17   2.676   0.649   0.102
  156    HE1  TYR  17           HE1      TYR  17  -1.698   2.257  -1.627
  157    HE2  TYR  17           HE2      TYR  17   2.358   1.167  -2.367
  158    HH   TYR  17           HH       TYR  17  -0.566   2.693  -3.525
  159    HB2  TYR  17           1HB      TYR  17   0.214   1.523   2.683
  160    HB3  TYR  17           2HB      TYR  17   1.879   1.070   2.378
  161    H    ARG  18           H        ARG  18  -1.577  -0.077   3.908
  162    HA   ARG  18           HA       ARG  18  -3.307  -1.336   1.937
  163    HE   ARG  18           HE       ARG  18  -4.940  -2.390   6.660
  164    HB2  ARG  18           1HB      ARG  18  -3.855  -0.836   4.907
  165    HB3  ARG  18           2HB      ARG  18  -4.901  -1.713   3.809
  166    HG2  ARG  18           1HG      ARG  18  -3.537  -3.595   3.774
  167    HG3  ARG  18           2HG      ARG  18  -2.062  -2.669   3.971
  168    HD2  ARG  18           1HD      ARG  18  -2.546  -3.997   6.012
  169    HD3  ARG  18           2HD      ARG  18  -2.586  -2.282   6.366
  170   HH11  ARG  18          1HH1      ARG  18  -3.687  -5.488   5.483
  171   HH12  ARG  18          2HH1      ARG  18  -5.149  -6.351   5.824
  172   HH21  ARG  18          1HH2      ARG  18  -6.814  -3.501   7.096
  173   HH22  ARG  18          2HH2      ARG  18  -7.008  -5.179   6.781
  174    H    ARG  19           H        ARG  19  -5.011  -0.123   1.047
  175    HA   ARG  19           HA       ARG  19  -5.312   2.550   2.163
  176    HE   ARG  19           HE       ARG  19  -5.467   5.114   0.064
  177    HB2  ARG  19           1HB      ARG  19  -5.167   1.639  -0.740
  178    HB3  ARG  19           2HB      ARG  19  -5.947   3.151  -0.319
  179    HG2  ARG  19           1HG      ARG  19  -3.644   3.482   1.083
  180    HG3  ARG  19           2HG      ARG  19  -3.041   2.400  -0.156
  181    HD2  ARG  19           1HD      ARG  19  -2.731   4.672  -0.961
  182    HD3  ARG  19           2HD      ARG  19  -4.010   3.949  -1.916
  183   HH11  ARG  19          1HH1      ARG  19  -2.797   6.396  -1.882
  184   HH12  ARG  19          2HH1      ARG  19  -3.354   8.034  -1.791
  185   HH21  ARG  19          1HH2      ARG  19  -6.177   7.216   0.177
  186   HH22  ARG  19          2HH2      ARG  19  -5.358   8.527  -0.572
  187    H    CYS  20           H        CYS  20  -7.520   3.554   1.625
  188    HA   CYS  20           HA       CYS  20  -9.535   1.475   1.215
  189    HB2  CYS  20           1HB      CYS  20  -9.426   3.516   3.431
  190    HB3  CYS  20           2HB      CYS  20 -10.936   2.794   2.913
  191    H    TRP  21           H        TRP  21 -11.617   2.406   0.382
  192    HA   TRP  21           HA       TRP  21 -11.115   4.369  -1.584
  193    HD1  TRP  21           1HD      TRP  21 -15.718   4.023  -2.319
  194    HE1  TRP  21           HE1      TRP  21 -17.546   4.466  -0.468
  195    HE3  TRP  21           HE3      TRP  21 -12.599   3.420   1.651
  196    HZ2  TRP  21           HZ2      TRP  21 -17.484   4.513   2.384
  197    HZ3  TRP  21           HZ3      TRP  21 -13.563   3.681   3.935
  198    HH2  TRP  21           2HH      TRP  21 -15.915   4.209   4.336
  199    HB2  TRP  21           1HB      TRP  21 -13.095   3.753  -2.442
  200    HB3  TRP  21           2HB      TRP  21 -12.856   2.369  -1.395
  Start of MODEL   14
    1    HA   ARG   1           HA       ARG   1 -15.452   2.658   0.060
    2    HE   ARG   1           HE       ARG   1 -19.304   1.113   4.643
    3    H1   ARG   1           1H       ARG   1 -17.743   2.852  -0.097
    4    H2   ARG   1           2H       ARG   1 -17.180   1.654  -1.090
    5    H3   ARG   1           3H       ARG   1 -17.964   1.263   0.314
    6    HB2  ARG   1           1HB      ARG   1 -15.331   2.780   2.435
    7    HB3  ARG   1           2HB      ARG   1 -17.005   3.171   2.093
    8    HG2  ARG   1           1HG      ARG   1 -17.475   0.620   2.388
    9    HG3  ARG   1           2HG      ARG   1 -15.875   0.530   3.098
   10    HD2  ARG   1           1HD      ARG   1 -16.488   1.730   4.998
   11    HD3  ARG   1           2HD      ARG   1 -17.666   2.704   4.140
   12   HH11  ARG   1          1HH1      ARG   1 -16.118  -0.389   5.029
   13   HH12  ARG   1          2HH1      ARG   1 -16.754  -1.859   5.688
   14   HH21  ARG   1          1HH2      ARG   1 -20.114  -0.774   5.489
   15   HH22  ARG   1          2HH2      ARG   1 -19.123  -2.094   5.964
   16    H    TRP   2           H        TRP   2 -13.680   1.309  -0.192
   17    HA   TRP   2           HA       TRP   2 -13.814  -1.393   0.842
   18    HD1  TRP   2           HD1      TRP   2 -11.566  -2.857  -2.601
   19    HE1  TRP   2           HE1      TRP   2 -10.348  -1.572  -4.557
   20    HE3  TRP   2           HE3      TRP   2 -14.414   1.346  -2.319
   21    HZ2  TRP   2           HZ2      TRP   2 -10.703   1.000  -5.740
   22    HZ3  TRP   2           HZ3      TRP   2 -13.912   3.197  -3.911
   23    HH2  TRP   2           HH2      TRP   2 -12.130   3.073  -5.580
   24    HB2  TRP   2           1HB      TRP   2 -13.712  -2.552  -1.105
   25    HB3  TRP   2           2HB      TRP   2 -14.783  -1.249  -1.580
   26    H    CYS   3           H        CYS   3 -11.598  -2.393   0.777
   27    HA   CYS   3           HA       CYS   3  -9.526  -0.354   0.440
   28    HB2  CYS   3           1HB      CYS   3  -9.707  -2.326   2.727
   29    HB3  CYS   3           2HB      CYS   3  -8.379  -1.224   2.426
   30    H    VAL   4           H        VAL   4  -7.382  -1.308  -0.088
   31    HA   VAL   4           HA       VAL   4  -7.352  -4.132  -0.702
   32    HB   VAL   4           HB       VAL   4  -6.784  -3.822  -3.028
   33   HG11  VAL   4          1HG1      VAL   4  -9.369  -2.386  -2.332
   34   HG12  VAL   4          2HG1      VAL   4  -8.973  -3.133  -3.898
   35   HG13  VAL   4          3HG1      VAL   4  -9.150  -4.148  -2.447
   36   HG21  VAL   4          3HG2      VAL   4  -5.811  -1.484  -2.651
   37   HG22  VAL   4          1HG2      VAL   4  -6.719  -1.748  -4.158
   38   HG23  VAL   4          2HG2      VAL   4  -7.481  -0.886  -2.799
   39    H    TYR   5           H        TYR   5  -5.146  -4.898  -1.156
   40    HA   TYR   5           HA       TYR   5  -3.227  -3.244   0.259
   41    HD1  TYR   5           HD1      TYR   5  -4.679  -4.589   1.832
   42    HD2  TYR   5           HD2      TYR   5  -3.785  -7.951  -0.659
   43    HE1  TYR   5           HE1      TYR   5  -6.553  -5.910   2.930
   44    HE2  TYR   5           HE2      TYR   5  -5.662  -9.261   0.448
   45    HH   TYR   5           HH       TYR   5  -7.301  -9.213   1.853
   46    HB2  TYR   5           1HB      TYR   5  -2.667  -5.938  -1.031
   47    HB3  TYR   5           2HB      TYR   5  -2.146  -5.363   0.540
   48    H    ALA   6           H        ALA   6  -1.317  -2.416  -0.610
   49    HA   ALA   6           HA       ALA   6  -0.658  -3.058  -3.352
   50    HB1  ALA   6           3HB      ALA   6  -2.071  -0.607  -2.546
   51    HB2  ALA   6           1HB      ALA   6  -0.545  -0.283  -3.404
   52    HB3  ALA   6           2HB      ALA   6  -1.800  -1.287  -4.169
   53    H    TYR   7           H        TYR   7   1.487  -2.024  -3.953
   54    HA   TYR   7           HA       TYR   7   3.092  -1.689  -1.509
   55    HD1  TYR   7           HD2      TYR   7   3.536  -4.211  -0.950
   56    HD2  TYR   7           HD1      TYR   7   2.849  -4.463  -5.165
   57    HE1  TYR   7           HE2      TYR   7   2.541  -6.532  -0.656
   58    HE2  TYR   7           HE1      TYR   7   1.857  -6.784  -4.857
   59    HH   TYR   7           HH       TYR   7   0.726  -8.025  -3.005
   60    HB2  TYR   7           1HB      TYR   7   3.937  -2.598  -4.321
   61    HB3  TYR   7           2HB      TYR   7   4.856  -2.800  -2.843
   62    H    VAL   8           H        VAL   8   4.953  -0.228  -1.657
   63    HA   VAL   8           HA       VAL   8   4.849   1.632  -3.899
   64    HB   VAL   8           HB       VAL   8   3.525   2.902  -2.561
   65   HG11  VAL   8          1HG1      VAL   8   3.418   1.231  -0.728
   66   HG12  VAL   8          2HG1      VAL   8   4.943   1.879  -0.077
   67   HG13  VAL   8          3HG1      VAL   8   3.490   2.906  -0.130
   68   HG21  VAL   8          3HG2      VAL   8   6.320   3.525  -1.552
   69   HG22  VAL   8          1HG2      VAL   8   5.498   4.235  -2.962
   70   HG23  VAL   8          2HG2      VAL   8   4.903   4.577  -1.320
   71    H    ARG   9           H        ARG   9   6.844   2.926  -4.082
   72    HA   ARG   9           HA       ARG   9   9.039   1.381  -3.021
   73    HE   ARG   9           HE       ARG   9  10.657   3.720  -7.762
   74    HB2  ARG   9           1HB      ARG   9   9.414   1.643  -5.317
   75    HB3  ARG   9           2HB      ARG   9   8.629   3.209  -5.378
   76    HG2  ARG   9           1HG      ARG   9  10.539   4.358  -4.598
   77    HG3  ARG   9           2HG      ARG   9  11.203   2.939  -3.813
   78    HD2  ARG   9           1HD      ARG   9  12.579   3.006  -5.688
   79    HD3  ARG   9           2HD      ARG   9  11.299   1.989  -6.318
   80   HH11  ARG   9          1HH1      ARG   9  12.748   5.054  -5.232
   81   HH12  ARG   9          2HH1      ARG   9  12.867   6.612  -5.979
   82   HH21  ARG   9          1HH2      ARG   9  10.812   5.720  -8.716
   83   HH22  ARG   9          2HH2      ARG   9  11.722   7.013  -8.045
   84    H    ILE  10           H        ILE  10   9.843   2.116  -1.073
   85    HA   ILE  10           HA       ILE  10  10.292   4.997  -0.845
   86    HB   ILE  10           HB       ILE  10   8.817   3.221   1.075
   87   HG12  ILE  10          1HG1      ILE  10   7.971   5.056  -0.810
   88   HG13  ILE  10          2HG1      ILE  10   7.033   4.445   0.538
   89   HG21  ILE  10          1HG2      ILE  10  10.085   5.884   1.768
   90   HG22  ILE  10          2HG2      ILE  10   9.074   4.869   2.823
   91   HG23  ILE  10          3HG2      ILE  10  10.677   4.294   2.306
   92   HD11  ILE  10          3HD1      ILE  10   7.005   6.906   0.543
   93   HD12  ILE  10          1HD1      ILE  10   7.886   6.314   1.972
   94   HD13  ILE  10          2HD1      ILE  10   8.784   6.947   0.572
   95    H    ARG  11           H        ARG  11  12.293   5.527  -0.043
   96    HA   ARG  11           HA       ARG  11  14.328   5.287   0.639
   97    HE   ARG  11           HE       ARG  11  13.855   5.198   5.640
   98    HB2  ARG  11           1HB      ARG  11  12.931   3.180   2.267
   99    HB3  ARG  11           2HB      ARG  11  14.680   3.089   2.227
  100    HG2  ARG  11           1HG      ARG  11  13.946   5.857   2.609
  101    HG3  ARG  11           2HG      ARG  11  13.023   4.894   3.746
  102    HD2  ARG  11           1HD      ARG  11  15.560   3.738   3.916
  103    HD3  ARG  11           2HD      ARG  11  15.940   5.431   3.666
  104   HH11  ARG  11          1HH1      ARG  11  17.337   4.674   5.243
  105   HH12  ARG  11          2HH1      ARG  11  17.690   4.914   6.922
  106   HH21  ARG  11          1HH2      ARG  11  14.313   5.504   7.793
  107   HH22  ARG  11          2HH2      ARG  11  15.902   5.407   8.439
  108    H    GLY  12           H        GLY  12  13.586   4.130  -1.903
  109    HA3  GLY  12           2HA      GLY  12  15.882   2.649  -2.522
  110    H    VAL  13           H        VAL  13  12.842   1.698  -1.070
  111    HA   VAL  13           HA       VAL  13  13.362  -1.094  -1.809
  112    HB   VAL  13           HB       VAL  13  12.491  -0.258   0.945
  113   HG11  VAL  13          1HG1      VAL  13  13.706  -2.756  -0.265
  114   HG12  VAL  13          2HG1      VAL  13  13.605  -2.479   1.491
  115   HG13  VAL  13          3HG1      VAL  13  12.118  -2.566   0.517
  116   HG21  VAL  13          3HG2      VAL  13  14.487   0.722   1.259
  117   HG22  VAL  13          1HG2      VAL  13  15.156  -0.927   1.224
  118   HG23  VAL  13          2HG2      VAL  13  15.151   0.062  -0.256
  119    H    LEU  14           H        LEU  14  11.410  -2.503  -1.510
  120    HA   LEU  14           HA       LEU  14   9.039  -0.939  -2.195
  121    HG   LEU  14           HG       LEU  14   7.369  -3.686  -3.589
  122    HB2  LEU  14           1HB      LEU  14  10.107  -2.867  -3.606
  123    HB3  LEU  14           2HB      LEU  14   9.272  -3.912  -2.473
  124   HD11  LEU  14          1HD1      LEU  14   7.027  -1.624  -2.214
  125   HD12  LEU  14          2HD1      LEU  14   7.649  -0.671  -3.583
  126   HD13  LEU  14          3HD1      LEU  14   6.161  -1.630  -3.769
  127   HD21  LEU  14          3HD2      LEU  14   8.938  -1.883  -5.452
  128   HD22  LEU  14          1HD2      LEU  14   8.793  -3.654  -5.553
  129   HD23  LEU  14          2HD2      LEU  14   7.363  -2.627  -5.815
  130    H    VAL  15           H        VAL  15   7.644  -0.493  -0.584
  131    HA   VAL  15           HA       VAL  15   7.501  -2.444   1.609
  132    HB   VAL  15           HB       VAL  15   6.539   0.361   1.901
  133   HG11  VAL  15          1HG1      VAL  15   6.599  -0.120   4.092
  134   HG12  VAL  15          2HG1      VAL  15   6.802  -1.814   3.587
  135   HG13  VAL  15          3HG1      VAL  15   8.229  -0.827   3.983
  136   HG21  VAL  15          3HG2      VAL  15   9.395  -0.428   1.471
  137   HG22  VAL  15          1HG2      VAL  15   8.540   1.068   1.026
  138   HG23  VAL  15          2HG2      VAL  15   9.030   0.792   2.715
  139    H    ARG  16           H        ARG  16   5.461  -3.177   2.291
  140    HA   ARG  16           HA       ARG  16   3.406  -2.679   0.320
  141    HE   ARG  16           HE       ARG  16   5.639  -7.093   2.595
  142    HB2  ARG  16           1HB      ARG  16   3.083  -4.706   2.536
  143    HB3  ARG  16           2HB      ARG  16   2.520  -4.789   0.879
  144    HG2  ARG  16           1HG      ARG  16   5.009  -4.927   0.184
  145    HG3  ARG  16           2HG      ARG  16   5.373  -5.168   1.882
  146    HD2  ARG  16           1HD      ARG  16   3.208  -6.950   1.204
  147    HD3  ARG  16           2HD      ARG  16   4.431  -7.112  -0.041
  148   HH11  ARG  16          1HH1      ARG  16   3.888  -9.175   0.325
  149   HH12  ARG  16          2HH1      ARG  16   4.543 -10.642   0.972
  150   HH21  ARG  16          1HH2      ARG  16   6.476  -8.978   3.423
  151   HH22  ARG  16          2HH2      ARG  16   6.078 -10.532   2.810
  152    H    TYR  17           H        TYR  17   1.287  -1.934   0.915
  153    HA   TYR  17           HA       TYR  17   0.781  -1.388   3.718
  154    HD1  TYR  17           HD2      TYR  17   2.067  -0.325   0.109
  155    HD2  TYR  17           HD1      TYR  17  -0.775   2.372   1.828
  156    HE1  TYR  17           HE2      TYR  17   1.509   0.572  -2.203
  157    HE2  TYR  17           HE1      TYR  17  -1.324   3.260  -0.491
  158    HH   TYR  17           HH       TYR  17   0.397   3.174  -2.904
  159    HB2  TYR  17           1HB      TYR  17   0.475   1.026   3.237
  160    HB3  TYR  17           2HB      TYR  17   2.075   0.576   2.681
  161    H    ARG  18           H        ARG  18  -1.499  -0.418   3.976
  162    HA   ARG  18           HA       ARG  18  -3.158  -1.724   1.985
  163    HE   ARG  18           HE       ARG  18  -5.660  -2.247   6.202
  164    HB2  ARG  18           1HB      ARG  18  -4.049  -0.775   4.744
  165    HB3  ARG  18           2HB      ARG  18  -4.848  -1.942   3.710
  166    HG2  ARG  18           1HG      ARG  18  -3.062  -3.572   4.030
  167    HG3  ARG  18           2HG      ARG  18  -2.047  -2.389   4.833
  168    HD2  ARG  18           1HD      ARG  18  -3.350  -4.073   6.334
  169    HD3  ARG  18           2HD      ARG  18  -3.375  -2.385   6.803
  170   HH11  ARG  18          1HH1      ARG  18  -4.311  -5.355   5.164
  171   HH12  ARG  18          2HH1      ARG  18  -5.858  -6.047   4.805
  172   HH21  ARG  18          1HH2      ARG  18  -7.642  -3.138   5.739
  173   HH22  ARG  18          2HH2      ARG  18  -7.837  -4.738   5.143
  174    H    ARG  19           H        ARG  19  -4.811  -0.560   0.902
  175    HA   ARG  19           HA       ARG  19  -4.833   2.286   1.521
  176    HE   ARG  19           HE       ARG  19  -5.450   4.570  -1.435
  177    HB2  ARG  19           1HB      ARG  19  -4.935   0.782  -1.113
  178    HB3  ARG  19           2HB      ARG  19  -5.671   2.369  -1.010
  179    HG2  ARG  19           1HG      ARG  19  -3.178   2.723   0.243
  180    HG3  ARG  19           2HG      ARG  19  -2.816   1.634  -1.081
  181    HD2  ARG  19           1HD      ARG  19  -2.589   3.951  -1.862
  182    HD3  ARG  19           2HD      ARG  19  -3.949   3.206  -2.677
  183   HH11  ARG  19          1HH1      ARG  19  -2.118   5.030  -0.321
  184   HH12  ARG  19          2HH1      ARG  19  -2.487   6.457   0.589
  185   HH21  ARG  19          1HH2      ARG  19  -5.919   6.401  -0.266
  186   HH22  ARG  19          2HH2      ARG  19  -4.740   7.275   0.625
  187    H    CYS  20           H        CYS  20  -6.976   3.398   0.895
  188    HA   CYS  20           HA       CYS  20  -9.226   1.561   0.886
  189    HB2  CYS  20           1HB      CYS  20  -8.736   3.650   3.008
  190    HB3  CYS  20           2HB      CYS  20 -10.334   3.026   2.651
  191    H    TRP  21           H        TRP  21 -11.238   2.693   0.164
  192    HA   TRP  21           HA       TRP  21 -10.669   4.562  -1.876
  193    HD1  TRP  21           1HD      TRP  21 -15.337   4.646  -2.289
  194    HE1  TRP  21           HE1      TRP  21 -16.973   5.312  -0.329
  195    HE3  TRP  21           HE3      TRP  21 -11.997   3.869   1.465
  196    HZ2  TRP  21           HZ2      TRP  21 -16.693   5.436   2.508
  197    HZ3  TRP  21           HZ3      TRP  21 -12.759   4.286   3.802
  198    HH2  TRP  21           2HH      TRP  21 -15.017   5.043   4.351
  199    HB2  TRP  21           1HB      TRP  21 -12.757   4.147  -2.587
  200    HB3  TRP  21           2HB      TRP  21 -12.589   2.757  -1.533
  Start of MODEL   15
    1    HA   ARG   1           HA       ARG   1 -15.951   1.993   0.065
    2    HE   ARG   1           HE       ARG   1 -16.235   0.881   5.384
    3    H1   ARG   1           1H       ARG   1 -18.235   1.964  -0.240
    4    H2   ARG   1           2H       ARG   1 -17.483   0.936  -1.296
    5    H3   ARG   1           3H       ARG   1 -18.305   0.327   0.003
    6    HB2  ARG   1           1HB      ARG   1 -15.982   1.856   2.452
    7    HB3  ARG   1           2HB      ARG   1 -17.653   2.161   2.018
    8    HG2  ARG   1           1HG      ARG   1 -18.013  -0.387   2.061
    9    HG3  ARG   1           2HG      ARG   1 -16.410  -0.525   2.757
   10    HD2  ARG   1           1HD      ARG   1 -18.144   1.485   4.107
   11    HD3  ARG   1           2HD      ARG   1 -18.742  -0.158   4.214
   12   HH11  ARG   1          1HH1      ARG   1 -18.175  -1.982   4.609
   13   HH12  ARG   1          2HH1      ARG   1 -17.349  -3.000   5.741
   14   HH21  ARG   1          1HH2      ARG   1 -15.179  -0.430   6.834
   15   HH22  ARG   1          2HH2      ARG   1 -15.572  -2.086   7.064
   16    H    TRP   2           H        TRP   2 -14.056   0.857  -0.271
   17    HA   TRP   2           HA       TRP   2 -13.917  -1.915   0.555
   18    HD1  TRP   2           HD1      TRP   2 -11.500  -2.895  -2.985
   19    HE1  TRP   2           HE1      TRP   2 -10.363  -1.323  -4.774
   20    HE3  TRP   2           HE3      TRP   2 -14.659   1.033  -2.313
   21    HZ2  TRP   2           HZ2      TRP   2 -10.900   1.327  -5.687
   22    HZ3  TRP   2           HZ3      TRP   2 -14.283   3.075  -3.693
   23    HH2  TRP   2           HH2      TRP   2 -12.481   3.260  -5.334
   24    HB2  TRP   2           1HB      TRP   2 -13.641  -2.902  -1.469
   25    HB3  TRP   2           2HB      TRP   2 -14.838  -1.690  -1.880
   26    H    CYS   3           H        CYS   3 -11.611  -2.659   0.515
   27    HA   CYS   3           HA       CYS   3  -9.766  -0.389   0.392
   28    HB2  CYS   3           1HB      CYS   3  -9.700  -2.563   2.492
   29    HB3  CYS   3           2HB      CYS   3  -8.601  -1.205   2.351
   30    H    VAL   4           H        VAL   4  -7.531  -1.042  -0.170
   31    HA   VAL   4           HA       VAL   4  -7.161  -3.793  -0.985
   32    HB   VAL   4           HB       VAL   4  -6.651  -3.292  -3.262
   33   HG11  VAL   4          1HG1      VAL   4  -9.044  -3.694  -2.612
   34   HG12  VAL   4          2HG1      VAL   4  -9.289  -1.931  -2.635
   35   HG13  VAL   4          3HG1      VAL   4  -8.834  -2.786  -4.129
   36   HG21  VAL   4          3HG2      VAL   4  -7.477  -0.410  -2.864
   37   HG22  VAL   4          1HG2      VAL   4  -5.784  -0.943  -2.721
   38   HG23  VAL   4          2HG2      VAL   4  -6.656  -1.152  -4.259
   39    H    TYR   5           H        TYR   5  -4.902  -4.317  -1.293
   40    HA   TYR   5           HA       TYR   5  -3.185  -2.383   0.071
   41    HD1  TYR   5           HD2      TYR   5  -4.366  -3.621   2.037
   42    HD2  TYR   5           HD1      TYR   5  -3.679  -7.109  -0.343
   43    HE1  TYR   5           HE2      TYR   5  -6.201  -4.851   3.296
   44    HE2  TYR   5           HE1      TYR   5  -5.517  -8.326   0.923
   45    HH   TYR   5           HH       TYR   5  -7.789  -7.137   2.382
   46    HB2  TYR   5           1HB      TYR   5  -2.433  -5.208  -0.773
   47    HB3  TYR   5           2HB      TYR   5  -1.983  -4.367   0.696
   48    H    ALA   6           H        ALA   6  -1.101  -1.811  -0.762
   49    HA   ALA   6           HA       ALA   6  -0.458  -2.682  -3.445
   50    HB1  ALA   6           3HB      ALA   6  -1.448   0.069  -2.736
   51    HB2  ALA   6           1HB      ALA   6  -0.168  -0.095  -3.962
   52    HB3  ALA   6           2HB      ALA   6  -1.737  -0.901  -4.200
   53    H    TYR   7           H        TYR   7   1.762  -1.919  -4.071
   54    HA   TYR   7           HA       TYR   7   3.365  -1.533  -1.636
   55    HD1  TYR   7           HD2      TYR   7   3.357  -3.953  -1.011
   56    HD2  TYR   7           HD1      TYR   7   3.240  -4.497  -5.253
   57    HE1  TYR   7           HE2      TYR   7   2.199  -6.194  -0.698
   58    HE2  TYR   7           HE1      TYR   7   2.082  -6.737  -4.926
   59    HH   TYR   7           HH       TYR   7   0.741  -7.655  -1.961
   60    HB2  TYR   7           1HB      TYR   7   4.191  -2.567  -4.409
   61    HB3  TYR   7           2HB      TYR   7   5.059  -2.801  -2.905
   62    H    VAL   8           H        VAL   8   5.078  -0.012  -1.639
   63    HA   VAL   8           HA       VAL   8   5.200   1.713  -4.004
   64    HB   VAL   8           HB       VAL   8   3.775   2.926  -2.608
   65   HG11  VAL   8          1HG1      VAL   8   3.552   2.273  -0.481
   66   HG12  VAL   8          2HG1      VAL   8   5.173   1.538  -0.463
   67   HG13  VAL   8          3HG1      VAL   8   4.979   3.271  -0.110
   68   HG21  VAL   8          3HG2      VAL   8   6.045   4.024  -3.378
   69   HG22  VAL   8          1HG2      VAL   8   4.928   4.903  -2.307
   70   HG23  VAL   8          2HG2      VAL   8   6.361   4.095  -1.628
   71    H    ARG   9           H        ARG   9   7.263   2.598  -4.428
   72    HA   ARG   9           HA       ARG   9   9.345   1.150  -3.086
   73    HE   ARG   9           HE       ARG   9  12.320   1.362  -4.967
   74    HB2  ARG   9           1HB      ARG   9   9.067   2.699  -5.647
   75    HB3  ARG   9           2HB      ARG   9  10.668   2.667  -4.938
   76    HG2  ARG   9           1HG      ARG   9  10.175   0.047  -4.713
   77    HG3  ARG   9           2HG      ARG   9   9.009   0.365  -5.981
   78    HD2  ARG   9           1HD      ARG   9  11.155  -0.288  -6.993
   79    HD3  ARG   9           2HD      ARG   9  10.814   1.385  -7.388
   80   HH11  ARG   9          1HH1      ARG   9  12.766   0.583  -8.395
   81   HH12  ARG   9          2HH1      ARG   9  14.465   0.919  -8.378
   82   HH21  ARG   9          1HH2      ARG   9  14.499   1.792  -4.950
   83   HH22  ARG   9          2HH2      ARG   9  15.499   1.637  -6.339
   84    H    ILE  10           H        ILE  10  10.229   2.047  -1.248
   85    HA   ILE  10           HA       ILE  10  10.869   4.890  -1.333
   86    HB   ILE  10           HB       ILE  10   9.053   3.535   0.612
   87   HG12  ILE  10          1HG1      ILE  10   8.720   5.423  -1.393
   88   HG13  ILE  10          2HG1      ILE  10   7.572   5.021  -0.131
   89   HG21  ILE  10          1HG2      ILE  10   9.475   5.284   2.279
   90   HG22  ILE  10          2HG2      ILE  10  10.911   4.269   2.008
   91   HG23  ILE  10          3HG2      ILE  10  10.825   5.898   1.295
   92   HD11  ILE  10          3HD1      ILE  10   9.753   7.144   0.122
   93   HD12  ILE  10          1HD1      ILE  10   8.039   7.472  -0.230
   94   HD13  ILE  10          2HD1      ILE  10   8.508   6.772   1.338
   95    H    ARG  11           H        ARG  11  12.862   5.353  -0.460
   96    HA   ARG  11           HA       ARG  11  14.824   5.032   0.384
   97    HE   ARG  11           HE       ARG  11  11.091   5.128   4.496
   98    HB2  ARG  11           1HB      ARG  11  13.364   2.938   2.058
   99    HB3  ARG  11           2HB      ARG  11  15.067   3.280   2.292
  100    HG2  ARG  11           1HG      ARG  11  14.663   5.488   3.047
  101    HG3  ARG  11           2HG      ARG  11  13.095   5.578   2.269
  102    HD2  ARG  11           1HD      ARG  11  12.657   3.481   3.995
  103    HD3  ARG  11           2HD      ARG  11  13.835   4.395   4.915
  104   HH11  ARG  11          1HH1      ARG  11  14.312   6.597   4.645
  105   HH12  ARG  11          2HH1      ARG  11  13.719   8.142   5.159
  106   HH21  ARG  11          1HH2      ARG  11  10.336   7.111   5.156
  107   HH22  ARG  11          2HH2      ARG  11  11.363   8.453   5.464
  108    H    GLY  12           H        GLY  12  14.104   3.662  -2.070
  109    HA3  GLY  12           2HA      GLY  12  16.308   1.953  -2.392
  110    H    VAL  13           H        VAL  13  13.184   1.407  -0.967
  111    HA   VAL  13           HA       VAL  13  13.479  -1.480  -1.423
  112    HB   VAL  13           HB       VAL  13  12.462  -0.357   1.162
  113   HG11  VAL  13          1HG1      VAL  13  12.177  -2.578   1.406
  114   HG12  VAL  13          2HG1      VAL  13  13.296  -2.968   0.077
  115   HG13  VAL  13          3HG1      VAL  13  13.932  -2.611   1.701
  116   HG21  VAL  13          3HG2      VAL  13  14.436   0.691   1.479
  117   HG22  VAL  13          1HG2      VAL  13  15.059  -0.950   1.773
  118   HG23  VAL  13          2HG2      VAL  13  15.240  -0.205   0.167
  119    H    LEU  14           H        LEU  14  11.387  -2.689  -1.056
  120    HA   LEU  14           HA       LEU  14   9.176  -0.992  -1.971
  121    HG   LEU  14           HG       LEU  14   7.475  -3.611  -3.602
  122    HB2  LEU  14           1HB      LEU  14  10.221  -3.006  -3.315
  123    HB3  LEU  14           2HB      LEU  14   9.202  -3.965  -2.260
  124   HD11  LEU  14          1HD1      LEU  14   7.838  -0.617  -3.364
  125   HD12  LEU  14          2HD1      LEU  14   6.342  -1.523  -3.696
  126   HD13  LEU  14          3HD1      LEU  14   7.109  -1.628  -2.093
  127   HD21  LEU  14          3HD2      LEU  14   7.740  -2.752  -5.759
  128   HD22  LEU  14          1HD2      LEU  14   8.958  -1.562  -5.241
  129   HD23  LEU  14          2HD2      LEU  14   9.373  -3.292  -5.302
  130    H    VAL  15           H        VAL  15   7.699  -0.497  -0.451
  131    HA   VAL  15           HA       VAL  15   7.330  -2.457   1.709
  132    HB   VAL  15           HB       VAL  15   6.579   0.410   2.024
  133   HG11  VAL  15          1HG1      VAL  15   7.448  -0.081   4.352
  134   HG12  VAL  15          2HG1      VAL  15   6.036  -1.037   3.842
  135   HG13  VAL  15          3HG1      VAL  15   7.658  -1.770   3.833
  136   HG21  VAL  15          3HG2      VAL  15   9.427  -0.619   1.980
  137   HG22  VAL  15          1HG2      VAL  15   8.734   0.764   1.099
  138   HG23  VAL  15          2HG2      VAL  15   8.946   0.848   2.865
  139    H    ARG  16           H        ARG  16   5.203  -3.023   2.293
  140    HA   ARG  16           HA       ARG  16   3.304  -2.382   0.218
  141    HE   ARG  16           HE       ARG  16   4.151  -7.467   2.975
  142    HB2  ARG  16           1HB      ARG  16   2.679  -4.296   2.472
  143    HB3  ARG  16           2HB      ARG  16   2.199  -4.385   0.789
  144    HG2  ARG  16           1HG      ARG  16   4.680  -4.786   0.223
  145    HG3  ARG  16           2HG      ARG  16   4.964  -4.958   1.944
  146    HD2  ARG  16           1HD      ARG  16   2.689  -6.597   1.317
  147    HD3  ARG  16           2HD      ARG  16   3.893  -6.913   0.083
  148   HH11  ARG  16          1HH1      ARG  16   5.792  -7.276  -0.159
  149   HH12  ARG  16          2HH1      ARG  16   7.128  -8.259   0.340
  150   HH21  ARG  16          1HH2      ARG  16   5.866  -8.727   3.612
  151   HH22  ARG  16          2HH2      ARG  16   7.178  -9.122   2.575
  152    H    TYR  17           H        TYR  17   1.080  -1.689   0.772
  153    HA   TYR  17           HA       TYR  17   0.641  -0.817   3.502
  154    HD1  TYR  17           HD1      TYR  17   2.554   0.606  -0.016
  155    HD2  TYR  17           HD2      TYR  17  -1.443   1.811   0.920
  156    HE1  TYR  17           HE1      TYR  17   2.138   1.154  -2.463
  157    HE2  TYR  17           HE2      TYR  17  -1.846   2.354  -1.531
  158    HH   TYR  17           HH       TYR  17  -1.070   2.122  -3.574
  159    HB2  TYR  17           1HB      TYR  17   0.227   1.522   2.682
  160    HB3  TYR  17           2HB      TYR  17   1.870   1.046   2.301
  161    H    ARG  18           H        ARG  18  -1.620  -0.165   3.882
  162    HA   ARG  18           HA       ARG  18  -3.326  -1.340   1.838
  163    HE   ARG  18           HE       ARG  18  -4.343  -2.243   6.297
  164    HB2  ARG  18           1HB      ARG  18  -3.928  -1.018   4.820
  165    HB3  ARG  18           2HB      ARG  18  -4.904  -1.893   3.657
  166    HG2  ARG  18           1HG      ARG  18  -2.780  -3.341   3.222
  167    HG3  ARG  18           2HG      ARG  18  -2.131  -2.618   4.681
  168    HD2  ARG  18           1HD      ARG  18  -4.511  -4.466   4.382
  169    HD3  ARG  18           2HD      ARG  18  -3.160  -4.588   5.492
  170   HH11  ARG  18          1HH1      ARG  18  -5.651  -5.481   5.700
  171   HH12  ARG  18          2HH1      ARG  18  -6.928  -5.314   6.859
  172   HH21  ARG  18          1HH2      ARG  18  -5.981  -2.034   7.783
  173   HH22  ARG  18          2HH2      ARG  18  -7.129  -3.273   8.098
  174    H    ARG  19           H        ARG  19  -5.061  -0.106   1.033
  175    HA   ARG  19           HA       ARG  19  -5.400   2.488   2.310
  176    HE   ARG  19           HE       ARG  19  -5.577   5.180   0.388
  177    HB2  ARG  19           1HB      ARG  19  -5.228   1.771  -0.645
  178    HB3  ARG  19           2HB      ARG  19  -6.032   3.241  -0.130
  179    HG2  ARG  19           1HG      ARG  19  -3.740   3.513   1.302
  180    HG3  ARG  19           2HG      ARG  19  -3.115   2.522  -0.001
  181    HD2  ARG  19           1HD      ARG  19  -2.836   4.848  -0.653
  182    HD3  ARG  19           2HD      ARG  19  -4.096   4.167  -1.664
  183   HH11  ARG  19          1HH1      ARG  19  -2.949   6.621  -1.500
  184   HH12  ARG  19          2HH1      ARG  19  -3.541   8.239  -1.321
  185   HH21  ARG  19          1HH2      ARG  19  -6.333   7.256   0.616
  186   HH22  ARG  19          2HH2      ARG  19  -5.547   8.623  -0.068
  187    H    CYS  20           H        CYS  20  -7.622   3.491   1.821
  188    HA   CYS  20           HA       CYS  20  -9.602   1.413   1.266
  189    HB2  CYS  20           1HB      CYS  20  -9.529   3.300   3.614
  190    HB3  CYS  20           2HB      CYS  20 -11.031   2.603   3.039
  191    H    TRP  21           H        TRP  21 -11.714   2.384   0.522
  192    HA   TRP  21           HA       TRP  21 -11.237   4.453  -1.338
  193    HD1  TRP  21           1HD      TRP  21 -15.842   4.184  -2.028
  194    HE1  TRP  21           HE1      TRP  21 -17.647   4.520  -0.133
  195    HE3  TRP  21           HE3      TRP  21 -12.689   3.291   1.861
  196    HZ2  TRP  21           HZ2      TRP  21 -17.556   4.378   2.716
  197    HZ3  TRP  21           HZ3      TRP  21 -13.628   3.410   4.167
  198    HH2  TRP  21           2HH      TRP  21 -15.971   3.931   4.626
  199    HB2  TRP  21           1HB      TRP  21 -13.229   3.885  -2.201
  200    HB3  TRP  21           2HB      TRP  21 -12.979   2.446  -1.232
  Start of MODEL   16
    1    HA   ARG   1           HA       ARG   1 -15.652   1.880   1.059
    2    HE   ARG   1           HE       ARG   1 -19.458  -3.081   0.699
    3    H1   ARG   1           1H       ARG   1 -16.957   2.409  -0.765
    4    H2   ARG   1           2H       ARG   1 -15.531   1.716  -1.237
    5    H3   ARG   1           3H       ARG   1 -16.935   0.844  -1.308
    6    HB2  ARG   1           1HB      ARG   1 -17.354   0.545   2.321
    7    HB3  ARG   1           2HB      ARG   1 -18.104   1.779   1.330
    8    HG2  ARG   1           1HG      ARG   1 -19.149   0.246  -0.015
    9    HG3  ARG   1           2HG      ARG   1 -17.732  -0.780  -0.111
   10    HD2  ARG   1           1HD      ARG   1 -18.216  -1.704   2.148
   11    HD3  ARG   1           2HD      ARG   1 -19.595  -0.635   2.309
   12   HH11  ARG   1          1HH1      ARG   1 -21.168  -0.012   1.161
   13   HH12  ARG   1          2HH1      ARG   1 -22.614  -0.559   0.380
   14   HH21  ARG   1          1HH2      ARG   1 -21.316  -3.778  -0.301
   15   HH22  ARG   1          2HH2      ARG   1 -22.709  -2.790  -0.489
   16    H    TRP   2           H        TRP   2 -13.795   0.720  -0.298
   17    HA   TRP   2           HA       TRP   2 -13.576  -1.952   0.811
   18    HD1  TRP   2           HD1      TRP   2 -11.274  -3.244  -2.706
   19    HE1  TRP   2           HE1      TRP   2 -10.217  -1.838  -4.674
   20    HE3  TRP   2           HE3      TRP   2 -14.449   0.706  -2.291
   21    HZ2  TRP   2           HZ2      TRP   2 -10.814   0.711  -5.810
   22    HZ3  TRP   2           HZ3      TRP   2 -14.144   2.612  -3.868
   23    HH2  TRP   2           HH2      TRP   2 -12.402   2.657  -5.583
   24    HB2  TRP   2           1HB      TRP   2 -13.358  -3.124  -1.119
   25    HB3  TRP   2           2HB      TRP   2 -14.584  -1.968  -1.600
   26    H    CYS   3           H        CYS   3 -11.257  -2.675   0.740
   27    HA   CYS   3           HA       CYS   3  -9.454  -0.403   0.346
   28    HB2  CYS   3           1HB      CYS   3  -9.088  -2.384   2.583
   29    HB3  CYS   3           2HB      CYS   3  -8.284  -0.847   2.340
   30    H    VAL   4           H        VAL   4  -7.282  -1.042  -0.341
   31    HA   VAL   4           HA       VAL   4  -6.934  -3.870  -0.942
   32    HB   VAL   4           HB       VAL   4  -6.398  -3.464  -3.239
   33   HG11  VAL   4          1HG1      VAL   4  -8.773  -3.867  -2.648
   34   HG12  VAL   4          2HG1      VAL   4  -9.039  -2.108  -2.599
   35   HG13  VAL   4          3HG1      VAL   4  -8.588  -2.898  -4.129
   36   HG21  VAL   4          3HG2      VAL   4  -5.532  -1.088  -2.767
   37   HG22  VAL   4          1HG2      VAL   4  -6.367  -1.370  -4.313
   38   HG23  VAL   4          2HG2      VAL   4  -7.221  -0.568  -2.973
   39    H    TYR   5           H        TYR   5  -4.669  -4.434  -1.322
   40    HA   TYR   5           HA       TYR   5  -2.922  -2.573   0.087
   41    HD1  TYR   5           HD2      TYR   5  -4.569  -3.794   1.411
   42    HD2  TYR   5           HD1      TYR   5  -2.901  -7.430  -0.106
   43    HE1  TYR   5           HE2      TYR   5  -6.377  -5.128   2.600
   44    HE2  TYR   5           HE1      TYR   5  -4.716  -8.752   1.088
   45    HH   TYR   5           HH       TYR   5  -7.428  -7.168   2.556
   46    HB2  TYR   5           1HB      TYR   5  -2.169  -5.323  -0.972
   47    HB3  TYR   5           2HB      TYR   5  -1.705  -4.590   0.550
   48    H    ALA   6           H        ALA   6  -0.885  -1.890  -0.747
   49    HA   ALA   6           HA       ALA   6  -0.260  -2.585  -3.486
   50    HB1  ALA   6           3HB      ALA   6  -0.026   0.107  -3.719
   51    HB2  ALA   6           1HB      ALA   6  -1.478  -0.794  -4.218
   52    HB3  ALA   6           2HB      ALA   6  -1.434   0.019  -2.635
   53    H    TYR   7           H        TYR   7   1.921  -1.636  -4.104
   54    HA   TYR   7           HA       TYR   7   3.593  -1.614  -1.702
   55    HD1  TYR   7           HD2      TYR   7   5.234  -3.559  -1.503
   56    HD2  TYR   7           HD1      TYR   7   3.132  -4.220  -5.171
   57    HE1  TYR   7           HE2      TYR   7   5.063  -6.038  -0.967
   58    HE2  TYR   7           HE1      TYR   7   2.969  -6.697  -4.622
   59    HH   TYR   7           HH       TYR   7   3.451  -8.264  -3.224
   60    HB2  TYR   7           1HB      TYR   7   3.953  -2.096  -4.717
   61    HB3  TYR   7           2HB      TYR   7   5.340  -1.957  -3.656
   62    H    VAL   8           H        VAL   8   5.164   0.007  -1.330
   63    HA   VAL   8           HA       VAL   8   4.937   2.342  -3.096
   64    HB   VAL   8           HB       VAL   8   3.650   2.872  -1.190
   65   HG11  VAL   8          1HG1      VAL   8   3.911   1.693   0.687
   66   HG12  VAL   8          2HG1      VAL   8   5.535   1.157   0.194
   67   HG13  VAL   8          3HG1      VAL   8   5.331   2.702   1.054
   68   HG21  VAL   8          3HG2      VAL   8   4.961   4.742  -1.782
   69   HG22  VAL   8          1HG2      VAL   8   5.125   4.611  -0.014
   70   HG23  VAL   8          2HG2      VAL   8   6.437   4.042  -1.074
   71    H    ARG   9           H        ARG   9   6.857   2.622  -4.100
   72    HA   ARG   9           HA       ARG   9   9.158   1.356  -3.152
   73    HE   ARG   9           HE       ARG   9  10.503   2.781  -7.646
   74    HB2  ARG   9           1HB      ARG   9   8.433   2.226  -5.579
   75    HB3  ARG   9           2HB      ARG   9   9.277   3.682  -5.091
   76    HG2  ARG   9           1HG      ARG   9  10.954   1.465  -4.365
   77    HG3  ARG   9           2HG      ARG   9  10.392   1.163  -5.997
   78    HD2  ARG   9           1HD      ARG   9  11.496   3.886  -5.196
   79    HD3  ARG   9           2HD      ARG   9  12.563   2.588  -5.693
   80   HH11  ARG   9          1HH1      ARG   9  13.216   4.722  -6.452
   81   HH12  ARG   9          2HH1      ARG   9  13.458   5.538  -7.960
   82   HH21  ARG   9          1HH2      ARG   9  10.817   3.830  -9.579
   83   HH22  ARG   9          2HH2      ARG   9  12.040   5.013  -9.819
   84    H    ILE  10           H        ILE  10   9.827   2.068  -1.089
   85    HA   ILE  10           HA       ILE  10  10.618   4.891  -0.972
   86    HB   ILE  10           HB       ILE  10   9.081   3.262   1.024
   87   HG12  ILE  10          1HG1      ILE  10   8.331   5.178  -0.809
   88   HG13  ILE  10          2HG1      ILE  10   7.414   4.683   0.600
   89   HG21  ILE  10          1HG2      ILE  10  10.732   5.729   1.642
   90   HG22  ILE  10          2HG2      ILE  10   9.570   4.944   2.739
   91   HG23  ILE  10          3HG2      ILE  10  11.039   4.077   2.230
   92   HD11  ILE  10          3HD1      ILE  10   7.721   7.164   0.484
   93   HD12  ILE  10          1HD1      ILE  10   8.439   6.467   1.956
   94   HD13  ILE  10          2HD1      ILE  10   9.482   6.930   0.590
   95    H    ARG  11           H        ARG  11  12.727   5.217  -0.439
   96    HA   ARG  11           HA       ARG  11  14.770   4.819   0.137
   97    HE   ARG  11           HE       ARG  11  15.402   5.390   4.926
   98    HB2  ARG  11           1HB      ARG  11  13.303   2.964   1.992
   99    HB3  ARG  11           2HB      ARG  11  15.027   2.696   1.839
  100    HG2  ARG  11           1HG      ARG  11  15.576   4.682   2.881
  101    HG3  ARG  11           2HG      ARG  11  14.230   5.553   2.173
  102    HD2  ARG  11           1HD      ARG  11  12.730   4.899   3.856
  103    HD3  ARG  11           2HD      ARG  11  13.591   3.412   4.200
  104   HH11  ARG  11          1HH1      ARG  11  12.051   4.666   5.823
  105   HH12  ARG  11          2HH1      ARG  11  12.199   5.344   7.410
  106   HH21  ARG  11          1HH2      ARG  11  15.586   6.260   6.961
  107   HH22  ARG  11          2HH2      ARG  11  14.292   6.292   8.091
  108    H    GLY  12           H        GLY  12  13.637   3.529  -2.238
  109    HA3  GLY  12           2HA      GLY  12  15.758   1.777  -2.898
  110    H    VAL  13           H        VAL  13  12.761   1.301  -1.190
  111    HA   VAL  13           HA       VAL  13  12.919  -1.579  -1.760
  112    HB   VAL  13           HB       VAL  13  11.987  -0.563   0.884
  113   HG11  VAL  13          1HG1      VAL  13  11.850  -2.803   1.058
  114   HG12  VAL  13          2HG1      VAL  13  12.942  -3.076  -0.321
  115   HG13  VAL  13          3HG1      VAL  13  13.614  -2.739   1.292
  116   HG21  VAL  13          3HG2      VAL  13  13.914   0.656   1.047
  117   HG22  VAL  13          1HG2      VAL  13  14.558  -0.935   1.517
  118   HG23  VAL  13          2HG2      VAL  13  14.781  -0.340  -0.146
  119    H    LEU  14           H        LEU  14  10.818  -2.741  -1.369
  120    HA   LEU  14           HA       LEU  14   8.620  -0.969  -2.157
  121    HG   LEU  14           HG       LEU  14   9.348  -3.009  -4.944
  122    HB2  LEU  14           1HB      LEU  14   9.415  -3.746  -2.853
  123    HB3  LEU  14           2HB      LEU  14   7.698  -3.413  -2.737
  124   HD11  LEU  14          1HD1      LEU  14   6.812  -1.495  -4.921
  125   HD12  LEU  14          2HD1      LEU  14   7.385  -2.778  -6.016
  126   HD13  LEU  14          3HD1      LEU  14   6.689  -3.203  -4.433
  127   HD21  LEU  14          3HD2      LEU  14   8.464  -0.267  -4.059
  128   HD22  LEU  14          1HD2      LEU  14  10.084  -0.897  -3.676
  129   HD23  LEU  14          2HD2      LEU  14   9.574  -0.725  -5.372
  130    H    VAL  15           H        VAL  15   7.665  -0.276  -0.281
  131    HA   VAL  15           HA       VAL  15   7.296  -2.202   1.859
  132    HB   VAL  15           HB       VAL  15   6.251   0.585   1.962
  133   HG11  VAL  15          1HG1      VAL  15   5.932  -0.500   3.980
  134   HG12  VAL  15          2HG1      VAL  15   7.447  -1.425   3.849
  135   HG13  VAL  15          3HG1      VAL  15   7.494   0.306   4.260
  136   HG21  VAL  15          3HG2      VAL  15   9.152  -0.148   1.664
  137   HG22  VAL  15          1HG2      VAL  15   8.252   1.233   0.991
  138   HG23  VAL  15          2HG2      VAL  15   8.686   1.210   2.717
  139    H    ARG  16           H        ARG  16   5.276  -2.946   2.587
  140    HA   ARG  16           HA       ARG  16   3.237  -2.715   0.566
  141    HE   ARG  16           HE       ARG  16   6.166  -7.030   2.000
  142    HB2  ARG  16           1HB      ARG  16   2.909  -4.424   3.038
  143    HB3  ARG  16           2HB      ARG  16   2.370  -4.743   1.401
  144    HG2  ARG  16           1HG      ARG  16   4.970  -4.807   0.850
  145    HG3  ARG  16           2HG      ARG  16   5.145  -5.065   2.575
  146    HD2  ARG  16           1HD      ARG  16   3.302  -6.936   2.229
  147    HD3  ARG  16           2HD      ARG  16   3.747  -6.829   0.538
  148   HH11  ARG  16          1HH1      ARG  16   3.304  -9.024   1.380
  149   HH12  ARG  16          2HH1      ARG  16   4.153 -10.521   1.566
  150   HH21  ARG  16          1HH2      ARG  16   7.252  -8.954   2.239
  151   HH22  ARG  16          2HH2      ARG  16   6.495 -10.487   2.076
  152    H    TYR  17           H        TYR  17   1.136  -1.859   0.976
  153    HA   TYR  17           HA       TYR  17   0.508  -1.002   3.674
  154    HD1  TYR  17           HD2      TYR  17  -1.488   1.733   1.308
  155    HD2  TYR  17           HD1      TYR  17   2.423   0.502   0.083
  156    HE1  TYR  17           HE2      TYR  17  -2.018   2.405  -1.086
  157    HE2  TYR  17           HE1      TYR  17   1.879   1.178  -2.307
  158    HH   TYR  17           HH       TYR  17  -1.339   2.435  -3.137
  159    HB2  TYR  17           1HB      TYR  17   0.299   1.345   2.953
  160    HB3  TYR  17           2HB      TYR  17   1.889   0.810   2.445
  161    H    ARG  18           H        ARG  18  -1.766  -0.286   3.876
  162    HA   ARG  18           HA       ARG  18  -3.336  -1.280   1.633
  163    HE   ARG  18           HE       ARG  18  -5.791  -4.262   4.535
  164    HB2  ARG  18           1HB      ARG  18  -4.160  -1.429   4.572
  165    HB3  ARG  18           2HB      ARG  18  -4.966  -2.191   3.215
  166    HG2  ARG  18           1HG      ARG  18  -3.032  -3.667   2.826
  167    HG3  ARG  18           2HG      ARG  18  -2.101  -2.834   4.055
  168    HD2  ARG  18           1HD      ARG  18  -3.573  -5.109   4.526
  169    HD3  ARG  18           2HD      ARG  18  -3.124  -3.961   5.772
  170   HH11  ARG  18          1HH1      ARG  18  -3.698  -2.298   6.613
  171   HH12  ARG  18          2HH1      ARG  18  -5.017  -1.469   7.369
  172   HH21  ARG  18          1HH2      ARG  18  -7.481  -3.195   5.508
  173   HH22  ARG  18          2HH2      ARG  18  -7.263  -1.996   6.718
  174    H    ARG  19           H        ARG  19  -4.922   0.130   0.871
  175    HA   ARG  19           HA       ARG  19  -5.477   2.415   2.586
  176    HE   ARG  19           HE       ARG  19  -5.504   5.430   1.234
  177    HB2  ARG  19           1HB      ARG  19  -4.945   2.299  -0.410
  178    HB3  ARG  19           2HB      ARG  19  -5.841   3.635   0.284
  179    HG2  ARG  19           1HG      ARG  19  -3.737   3.619   2.004
  180    HG3  ARG  19           2HG      ARG  19  -2.941   2.915   0.611
  181    HD2  ARG  19           1HD      ARG  19  -2.653   5.326   0.477
  182    HD3  ARG  19           2HD      ARG  19  -3.771   4.860  -0.790
  183   HH11  ARG  19          1HH1      ARG  19  -2.711   7.233   0.009
  184   HH12  ARG  19          2HH1      ARG  19  -3.361   8.779   0.443
  185   HH21  ARG  19          1HH2      ARG  19  -6.334   7.415   1.790
  186   HH22  ARG  19          2HH2      ARG  19  -5.509   8.893   1.499
  187    H    CYS  20           H        CYS  20  -7.653   3.486   2.057
  188    HA   CYS  20           HA       CYS  20  -9.515   1.454   1.059
  189    HB2  CYS  20           1HB      CYS  20  -9.927   3.456   3.289
  190    HB3  CYS  20           2HB      CYS  20 -11.191   2.452   2.606
  191    H    TRP  21           H        TRP  21 -11.483   2.401  -0.009
  192    HA   TRP  21           HA       TRP  21 -10.752   4.476  -1.777
  193    HD1  TRP  21           1HD      TRP  21 -15.184   4.169  -3.172
  194    HE1  TRP  21           HE1      TRP  21 -17.267   4.483  -1.583
  195    HE3  TRP  21           HE3      TRP  21 -12.675   3.278   1.160
  196    HZ2  TRP  21           HZ2      TRP  21 -17.624   4.328   1.244
  197    HZ3  TRP  21           HZ3      TRP  21 -13.965   3.380   3.291
  198    HH2  TRP  21           2HH      TRP  21 -16.355   3.883   3.378
  199    HB2  TRP  21           1HB      TRP  21 -12.577   3.880  -2.936
  200    HB3  TRP  21           2HB      TRP  21 -12.466   2.447  -1.934
  Start of MODEL   17
    1    HA   ARG   1           HA       ARG   1 -15.804   1.887   1.593
    2    HE   ARG   1           HE       ARG   1 -16.859  -0.699   5.664
    3    H1   ARG   1           1H       ARG   1 -17.251   2.372  -0.134
    4    H2   ARG   1           2H       ARG   1 -15.862   1.677  -0.702
    5    H3   ARG   1           3H       ARG   1 -17.261   0.797  -0.645
    6    HB2  ARG   1           1HB      ARG   1 -18.274   1.752   1.975
    7    HB3  ARG   1           2HB      ARG   1 -18.255   0.053   1.545
    8    HG2  ARG   1           1HG      ARG   1 -16.237   0.407   3.551
    9    HG3  ARG   1           2HG      ARG   1 -17.649   1.286   4.105
   10    HD2  ARG   1           1HD      ARG   1 -19.048  -0.678   3.999
   11    HD3  ARG   1           2HD      ARG   1 -17.873  -1.562   3.046
   12   HH11  ARG   1          1HH1      ARG   1 -18.539  -3.273   3.900
   13   HH12  ARG   1          2HH1      ARG   1 -18.141  -4.497   5.058
   14   HH21  ARG   1          1HH2      ARG   1 -16.351  -2.273   7.148
   15   HH22  ARG   1          2HH2      ARG   1 -16.844  -3.911   6.987
   16    H    TRP   2           H        TRP   2 -14.024   0.723   0.175
   17    HA   TRP   2           HA       TRP   2 -13.712  -1.928   1.297
   18    HD1  TRP   2           HD1      TRP   2 -11.665  -3.281  -2.344
   19    HE1  TRP   2           HE1      TRP   2 -10.774  -1.919  -4.422
   20    HE3  TRP   2           HE3      TRP   2 -14.853   0.642  -1.803
   21    HZ2  TRP   2           HZ2      TRP   2 -11.488   0.590  -5.579
   22    HZ3  TRP   2           HZ3      TRP   2 -14.690   2.507  -3.449
   23    HH2  TRP   2           HH2      TRP   2 -13.080   2.523  -5.288
   24    HB2  TRP   2           1HB      TRP   2 -13.635  -3.143  -0.616
   25    HB3  TRP   2           2HB      TRP   2 -14.902  -2.004  -1.029
   26    H    CYS   3           H        CYS   3 -11.401  -2.637   1.070
   27    HA   CYS   3           HA       CYS   3  -9.651  -0.364   0.488
   28    HB2  CYS   3           1HB      CYS   3  -9.122  -2.296   2.738
   29    HB3  CYS   3           2HB      CYS   3  -8.315  -0.780   2.392
   30    H    VAL   4           H        VAL   4  -7.557  -0.992  -0.389
   31    HA   VAL   4           HA       VAL   4  -7.292  -3.838  -1.011
   32    HB   VAL   4           HB       VAL   4  -6.737  -3.327  -3.311
   33   HG11  VAL   4          1HG1      VAL   4  -9.390  -2.003  -2.690
   34   HG12  VAL   4          2HG1      VAL   4  -8.933  -2.929  -4.139
   35   HG13  VAL   4          3HG1      VAL   4  -9.127  -3.759  -2.576
   36   HG21  VAL   4          3HG2      VAL   4  -7.623  -0.468  -2.869
   37   HG22  VAL   4          1HG2      VAL   4  -5.917  -0.964  -2.762
   38   HG23  VAL   4          2HG2      VAL   4  -6.811  -1.176  -4.286
   39    H    TYR   5           H        TYR   5  -5.046  -4.447  -1.556
   40    HA   TYR   5           HA       TYR   5  -3.200  -2.771  -0.052
   41    HD1  TYR   5           HD1      TYR   5  -4.782  -4.092   1.267
   42    HD2  TYR   5           HD2      TYR   5  -3.367  -7.568  -0.786
   43    HE1  TYR   5           HE1      TYR   5  -6.585  -5.494   2.385
   44    HE2  TYR   5           HE2      TYR   5  -5.174  -8.959   0.338
   45    HH   TYR   5           HH       TYR   5  -6.532  -8.495   2.798
   46    HB2  TYR   5           1HB      TYR   5  -2.558  -5.419  -1.404
   47    HB3  TYR   5           2HB      TYR   5  -2.022  -4.851   0.165
   48    H    ALA   6           H        ALA   6  -1.153  -2.089  -0.887
   49    HA   ALA   6           HA       ALA   6  -0.662  -2.502  -3.708
   50    HB1  ALA   6           3HB      ALA   6  -1.540   0.110  -2.494
   51    HB2  ALA   6           1HB      ALA   6  -0.350   0.123  -3.817
   52    HB3  ALA   6           2HB      ALA   6  -1.954  -0.604  -4.071
   53    H    TYR   7           H        TYR   7   1.539  -1.664  -4.313
   54    HA   TYR   7           HA       TYR   7   3.262  -1.646  -1.928
   55    HD1  TYR   7           HD1      TYR   7   1.524  -3.906  -3.038
   56    HD2  TYR   7           HD2      TYR   7   5.758  -4.513  -3.137
   57    HE1  TYR   7           HE1      TYR   7   1.227  -6.202  -1.986
   58    HE2  TYR   7           HE2      TYR   7   5.447  -6.806  -2.086
   59    HH   TYR   7           HH       TYR   7   2.552  -8.370  -1.998
   60    HB2  TYR   7           1HB      TYR   7   3.448  -2.720  -4.797
   61    HB3  TYR   7           2HB      TYR   7   4.907  -2.482  -3.857
   62    H    VAL   8           H        VAL   8   5.103  -0.241  -1.919
   63    HA   VAL   8           HA       VAL   8   5.246   1.679  -4.103
   64    HB   VAL   8           HB       VAL   8   3.909   3.007  -2.851
   65   HG11  VAL   8          1HG1      VAL   8   3.507   1.294  -1.105
   66   HG12  VAL   8          2HG1      VAL   8   5.003   1.804  -0.286
   67   HG13  VAL   8          3HG1      VAL   8   3.638   2.937  -0.434
   68   HG21  VAL   8          3HG2      VAL   8   5.209   4.617  -1.571
   69   HG22  VAL   8          1HG2      VAL   8   6.541   3.449  -1.401
   70   HG23  VAL   8          2HG2      VAL   8   6.127   4.101  -3.005
   71    H    ARG   9           H        ARG   9   7.335   2.563  -4.383
   72    HA   ARG   9           HA       ARG   9   9.331   1.071  -2.930
   73    HE   ARG   9           HE       ARG   9  11.446   2.961  -7.830
   74    HB2  ARG   9           1HB      ARG   9   9.859   0.923  -5.205
   75    HB3  ARG   9           2HB      ARG   9   9.206   2.507  -5.573
   76    HG2  ARG   9           1HG      ARG   9  11.148   3.637  -4.762
   77    HG3  ARG   9           2HG      ARG   9  11.693   2.243  -3.849
   78    HD2  ARG   9           1HD      ARG   9  13.087   1.927  -5.652
   79    HD3  ARG   9           2HD      ARG   9  11.682   1.152  -6.358
   80   HH11  ARG   9          1HH1      ARG   9  13.598   3.913  -5.181
   81   HH12  ARG   9          2HH1      ARG   9  14.040   5.418  -5.916
   82   HH21  ARG   9          1HH2      ARG   9  12.015   4.892  -8.769
   83   HH22  ARG   9          2HH2      ARG   9  13.105   6.005  -8.043
   84    H    ILE  10           H        ILE  10  10.200   2.044  -1.124
   85    HA   ILE  10           HA       ILE  10  10.871   4.872  -1.321
   86    HB   ILE  10           HB       ILE  10   8.941   3.646   0.588
   87   HG12  ILE  10          1HG1      ILE  10   8.732   5.452  -1.472
   88   HG13  ILE  10          2HG1      ILE  10   7.560   5.219  -0.190
   89   HG21  ILE  10          1HG2      ILE  10  10.811   4.351   2.024
   90   HG22  ILE  10          2HG2      ILE  10  10.725   5.984   1.321
   91   HG23  ILE  10          3HG2      ILE  10   9.358   5.350   2.268
   92   HD11  ILE  10          3HD1      ILE  10   9.869   7.217  -0.142
   93   HD12  ILE  10          1HD1      ILE  10   8.150   7.607  -0.391
   94   HD13  ILE  10          2HD1      ILE  10   8.700   6.971   1.178
   95    H    ARG  11           H        ARG  11  12.786   5.405  -0.268
   96    HA   ARG  11           HA       ARG  11  14.701   5.108   0.685
   97    HE   ARG  11           HE       ARG  11  16.326   5.666   3.290
   98    HB2  ARG  11           1HB      ARG  11  13.020   3.172   2.282
   99    HB3  ARG  11           2HB      ARG  11  14.758   3.105   2.500
  100    HG2  ARG  11           1HG      ARG  11  14.220   5.856   2.578
  101    HG3  ARG  11           2HG      ARG  11  12.833   5.162   3.394
  102    HD2  ARG  11           1HD      ARG  11  14.195   5.159   5.239
  103    HD3  ARG  11           2HD      ARG  11  14.858   3.693   4.544
  104   HH11  ARG  11          1HH1      ARG  11  15.622   4.979   6.694
  105   HH12  ARG  11          2HH1      ARG  11  17.108   5.660   7.268
  106   HH21  ARG  11          1HH2      ARG  11  18.231   6.538   4.030
  107   HH22  ARG  11          2HH2      ARG  11  18.659   6.586   5.693
  108    H    GLY  12           H        GLY  12  14.131   3.744  -1.821
  109    HA3  GLY  12           2HA      GLY  12  16.389   2.092  -2.048
  110    H    VAL  13           H        VAL  13  13.179   1.458  -0.832
  111    HA   VAL  13           HA       VAL  13  13.553  -1.414  -1.306
  112    HB   VAL  13           HB       VAL  13  12.531  -0.311   1.297
  113   HG11  VAL  13          1HG1      VAL  13  13.797  -2.632   1.877
  114   HG12  VAL  13          2HG1      VAL  13  12.081  -2.532   1.412
  115   HG13  VAL  13          3HG1      VAL  13  13.310  -2.957   0.196
  116   HG21  VAL  13          3HG2      VAL  13  14.556   0.591   1.678
  117   HG22  VAL  13          1HG2      VAL  13  15.107  -1.091   1.867
  118   HG23  VAL  13          2HG2      VAL  13  15.301  -0.262   0.304
  119    H    LEU  14           H        LEU  14  11.470  -2.656  -1.001
  120    HA   LEU  14           HA       LEU  14   9.265  -0.975  -1.949
  121    HG   LEU  14           HG       LEU  14   7.542  -3.583  -3.477
  122    HB2  LEU  14           1HB      LEU  14  10.334  -3.015  -3.232
  123    HB3  LEU  14           2HB      LEU  14   9.299  -3.954  -2.175
  124   HD11  LEU  14          1HD1      LEU  14   8.106  -0.608  -3.485
  125   HD12  LEU  14          2HD1      LEU  14   6.561  -1.426  -3.822
  126   HD13  LEU  14          3HD1      LEU  14   7.251  -1.468  -2.182
  127   HD21  LEU  14          3HD2      LEU  14   9.154  -3.733  -5.286
  128   HD22  LEU  14          1HD2      LEU  14   7.853  -2.594  -5.710
  129   HD23  LEU  14          2HD2      LEU  14   9.445  -1.978  -5.206
  130    H    VAL  15           H        VAL  15   7.674  -0.510  -0.537
  131    HA   VAL  15           HA       VAL  15   7.316  -2.385   1.698
  132    HB   VAL  15           HB       VAL  15   6.475   0.467   1.884
  133   HG11  VAL  15          1HG1      VAL  15   5.910  -0.752   3.788
  134   HG12  VAL  15          2HG1      VAL  15   7.415  -1.702   3.753
  135   HG13  VAL  15          3HG1      VAL  15   7.453   0.006   4.252
  136   HG21  VAL  15          3HG2      VAL  15   8.768   1.073   2.718
  137   HG22  VAL  15          1HG2      VAL  15   9.358  -0.466   2.045
  138   HG23  VAL  15          2HG2      VAL  15   8.673   0.773   0.966
  139    H    ARG  16           H        ARG  16   5.193  -2.998   2.240
  140    HA   ARG  16           HA       ARG  16   3.318  -2.420   0.114
  141    HE   ARG  16           HE       ARG  16   4.601  -6.933   2.772
  142    HB2  ARG  16           1HB      ARG  16   2.741  -4.429   2.296
  143    HB3  ARG  16           2HB      ARG  16   2.294  -4.486   0.603
  144    HG2  ARG  16           1HG      ARG  16   4.838  -4.719   0.107
  145    HG3  ARG  16           2HG      ARG  16   5.032  -5.026   1.821
  146    HD2  ARG  16           1HD      ARG  16   2.911  -6.607   0.380
  147    HD3  ARG  16           2HD      ARG  16   4.580  -7.016   0.039
  148   HH11  ARG  16          1HH1      ARG  16   2.397  -8.522   0.498
  149   HH12  ARG  16          2HH1      ARG  16   2.001  -9.809   1.588
  150   HH21  ARG  16          1HH2      ARG  16   4.090  -8.585   4.167
  151   HH22  ARG  16          2HH2      ARG  16   3.002  -9.852   3.765
  152    H    TYR  17           H        TYR  17   1.093  -1.769   0.620
  153    HA   TYR  17           HA       TYR  17   0.528  -1.059   3.373
  154    HD1  TYR  17           HD2      TYR  17   2.209   0.100  -0.166
  155    HD2  TYR  17           HD1      TYR  17  -1.300   2.207   1.080
  156    HE1  TYR  17           HE2      TYR  17   1.773   0.808  -2.568
  157    HE2  TYR  17           HE1      TYR  17  -1.725   2.908  -1.327
  158    HH   TYR  17           HH       TYR  17   0.546   1.985  -3.900
  159    HB2  TYR  17           1HB      TYR  17   0.141   1.315   2.704
  160    HB3  TYR  17           2HB      TYR  17   1.784   0.876   2.282
  161    H    ARG  18           H        ARG  18  -1.778   0.011   3.447
  162    HA   ARG  18           HA       ARG  18  -3.375  -1.144   1.314
  163    HE   ARG  18           HE       ARG  18  -5.937  -3.527   4.600
  164    HB2  ARG  18           1HB      ARG  18  -4.044  -1.301   4.297
  165    HB3  ARG  18           2HB      ARG  18  -5.037  -1.930   2.997
  166    HG2  ARG  18           1HG      ARG  18  -3.163  -3.469   2.332
  167    HG3  ARG  18           2HG      ARG  18  -2.203  -2.859   3.665
  168    HD2  ARG  18           1HD      ARG  18  -4.244  -4.917   3.709
  169    HD3  ARG  18           2HD      ARG  18  -3.161  -4.429   4.997
  170   HH11  ARG  18          1HH1      ARG  18  -2.867  -2.918   6.261
  171   HH12  ARG  18          2HH1      ARG  18  -3.594  -1.980   7.523
  172   HH21  ARG  18          1HH2      ARG  18  -6.864  -2.323   6.221
  173   HH22  ARG  18          2HH2      ARG  18  -5.963  -1.623   7.505
  174    H    ARG  19           H        ARG  19  -5.107   0.175   0.642
  175    HA   ARG  19           HA       ARG  19  -5.520   2.553   2.270
  176    HE   ARG  19           HE       ARG  19  -5.663   5.489   0.777
  177    HB2  ARG  19           1HB      ARG  19  -5.247   2.275  -0.751
  178    HB3  ARG  19           2HB      ARG  19  -6.082   3.649  -0.054
  179    HG2  ARG  19           1HG      ARG  19  -3.837   3.719   1.476
  180    HG3  ARG  19           2HG      ARG  19  -3.164   2.940   0.058
  181    HD2  ARG  19           1HD      ARG  19  -2.894   5.341  -0.227
  182    HD3  ARG  19           2HD      ARG  19  -4.115   4.810  -1.367
  183   HH11  ARG  19          1HH1      ARG  19  -3.018   7.221  -0.824
  184   HH12  ARG  19          2HH1      ARG  19  -3.640   8.789  -0.429
  185   HH21  ARG  19          1HH2      ARG  19  -6.457   7.502   1.281
  186   HH22  ARG  19          2HH2      ARG  19  -5.679   8.962   0.819
  187    H    CYS  20           H        CYS  20  -7.737   3.595   1.868
  188    HA   CYS  20           HA       CYS  20  -9.669   1.521   1.119
  189    HB2  CYS  20           1HB      CYS  20  -9.896   3.585   3.319
  190    HB3  CYS  20           2HB      CYS  20 -11.207   2.556   2.780
  191    H    TRP  21           H        TRP  21 -11.719   2.422   0.187
  192    HA   TRP  21           HA       TRP  21 -11.157   4.460  -1.684
  193    HD1  TRP  21           1HD      TRP  21 -15.683   4.075  -2.709
  194    HE1  TRP  21           HE1      TRP  21 -17.635   4.412  -0.966
  195    HE3  TRP  21           HE3      TRP  21 -12.825   3.320   1.428
  196    HZ2  TRP  21           HZ2      TRP  21 -17.762   4.327   1.884
  197    HZ3  TRP  21           HZ3      TRP  21 -13.941   3.465   3.652
  198    HH2  TRP  21           2HH      TRP  21 -16.322   3.948   3.919
  199    HB2  TRP  21           1HB      TRP  21 -13.062   3.816  -2.677
  200    HB3  TRP  21           2HB      TRP  21 -12.856   2.410  -1.651
  Start of MODEL   18
    1    HA   ARG   1           HA       ARG   1 -15.870   1.737   1.344
    2    HE   ARG   1           HE       ARG   1 -19.647   1.705  -1.164
    3    H1   ARG   1           1H       ARG   1 -17.070   2.315  -0.536
    4    H2   ARG   1           2H       ARG   1 -15.612   1.650  -0.945
    5    H3   ARG   1           3H       ARG   1 -17.001   0.770  -1.127
    6    HB2  ARG   1           1HB      ARG   1 -17.633   0.411   2.479
    7    HB3  ARG   1           2HB      ARG   1 -18.358   1.591   1.405
    8    HG2  ARG   1           1HG      ARG   1 -17.882  -0.794  -0.138
    9    HG3  ARG   1           2HG      ARG   1 -18.639  -1.287   1.364
   10    HD2  ARG   1           1HD      ARG   1 -20.530  -0.801   0.073
   11    HD3  ARG   1           2HD      ARG   1 -20.294   0.737   0.880
   12   HH11  ARG   1          1HH1      ARG   1 -19.696  -1.822  -1.499
   13   HH12  ARG   1          2HH1      ARG   1 -19.491  -1.786  -3.219
   14   HH21  ARG   1          1HH2      ARG   1 -19.384   1.747  -3.370
   15   HH22  ARG   1          2HH2      ARG   1 -19.306   0.327  -4.334
   16    H    TRP   2           H        TRP   2 -13.968   0.610  -0.060
   17    HA   TRP   2           HA       TRP   2 -13.720  -2.052   1.060
   18    HD1  TRP   2           HD1      TRP   2 -11.411  -3.313  -2.467
   19    HE1  TRP   2           HE1      TRP   2 -10.418  -1.902  -4.463
   20    HE3  TRP   2           HE3      TRP   2 -14.697   0.546  -2.065
   21    HZ2  TRP   2           HZ2      TRP   2 -11.103   0.613  -5.624
   22    HZ3  TRP   2           HZ3      TRP   2 -14.466   2.440  -3.669
   23    HH2  TRP   2           HH2      TRP   2 -12.745   2.514  -5.403
   24    HB2  TRP   2           1HB      TRP   2 -13.488  -3.237  -0.864
   25    HB3  TRP   2           2HB      TRP   2 -14.746  -2.112  -1.336
   26    H    CYS   3           H        CYS   3 -11.397  -2.750   0.992
   27    HA   CYS   3           HA       CYS   3  -9.613  -0.474   0.543
   28    HB2  CYS   3           1HB      CYS   3  -9.265  -2.387   2.845
   29    HB3  CYS   3           2HB      CYS   3  -8.422  -0.880   2.545
   30    H    VAL   4           H        VAL   4  -7.482  -1.096  -0.209
   31    HA   VAL   4           HA       VAL   4  -7.052  -3.939  -0.652
   32    HB   VAL   4           HB       VAL   4  -6.619  -3.659  -2.996
   33   HG11  VAL   4          1HG1      VAL   4  -9.298  -2.372  -2.380
   34   HG12  VAL   4          2HG1      VAL   4  -8.859  -3.324  -3.818
   35   HG13  VAL   4          3HG1      VAL   4  -8.959  -4.112  -2.225
   36   HG21  VAL   4          3HG2      VAL   4  -6.130  -1.700  -3.942
   37   HG22  VAL   4          1HG2      VAL   4  -7.718  -1.037  -3.486
   38   HG23  VAL   4          2HG2      VAL   4  -6.346  -0.918  -2.357
   39    H    TYR   5           H        TYR   5  -4.756  -4.370  -1.322
   40    HA   TYR   5           HA       TYR   5  -3.035  -2.520   0.106
   41    HD1  TYR   5           HD2      TYR   5  -4.506  -3.967   1.315
   42    HD2  TYR   5           HD1      TYR   5  -2.572  -7.314  -0.518
   43    HE1  TYR   5           HE2      TYR   5  -6.065  -5.553   2.549
   44    HE2  TYR   5           HE1      TYR   5  -4.136  -8.888   0.722
   45    HH   TYR   5           HH       TYR   5  -6.937  -7.809   2.252
   46    HB2  TYR   5           1HB      TYR   5  -2.208  -5.065  -1.354
   47    HB3  TYR   5           2HB      TYR   5  -1.606  -4.461   0.177
   48    H    ALA   6           H        ALA   6  -0.907  -1.886  -0.813
   49    HA   ALA   6           HA       ALA   6  -0.727  -1.983  -3.702
   50    HB1  ALA   6           3HB      ALA   6  -0.265   0.651  -3.438
   51    HB2  ALA   6           1HB      ALA   6  -1.888   0.002  -3.776
   52    HB3  ALA   6           2HB      ALA   6  -1.438   0.453  -2.114
   53    H    TYR   7           H        TYR   7   1.438  -1.230  -4.450
   54    HA   TYR   7           HA       TYR   7   3.401  -1.589  -2.290
   55    HD1  TYR   7           HD2      TYR   7   5.147  -3.972  -2.694
   56    HD2  TYR   7           HD1      TYR   7   1.676  -3.899  -5.195
   57    HE1  TYR   7           HE2      TYR   7   4.657  -6.395  -2.098
   58    HE2  TYR   7           HE1      TYR   7   1.199  -6.322  -4.591
   59    HH   TYR   7           HH       TYR   7   3.467  -8.301  -3.152
   60    HB2  TYR   7           1HB      TYR   7   3.299  -2.125  -5.318
   61    HB3  TYR   7           2HB      TYR   7   4.808  -2.207  -4.431
   62    H    VAL   8           H        VAL   8   5.094  -0.125  -2.044
   63    HA   VAL   8           HA       VAL   8   5.260   2.032  -4.004
   64    HB   VAL   8           HB       VAL   8   3.810   3.005  -2.450
   65   HG11  VAL   8          1HG1      VAL   8   4.152   1.180  -0.715
   66   HG12  VAL   8          2HG1      VAL   8   5.548   2.118  -0.132
   67   HG13  VAL   8          3HG1      VAL   8   3.916   2.826  -0.080
   68   HG21  VAL   8          3HG2      VAL   8   6.086   4.195  -2.979
   69   HG22  VAL   8          1HG2      VAL   8   4.990   4.872  -1.751
   70   HG23  VAL   8          2HG2      VAL   8   6.410   3.923  -1.250
   71    H    ARG   9           H        ARG   9   7.355   2.641  -4.427
   72    HA   ARG   9           HA       ARG   9   9.342   1.106  -3.026
   73    HE   ARG   9           HE       ARG   9  12.412   1.063  -5.241
   74    HB2  ARG   9           1HB      ARG   9   9.186   2.593  -5.637
   75    HB3  ARG   9           2HB      ARG   9  10.773   2.474  -4.903
   76    HG2  ARG   9           1HG      ARG   9  10.266  -0.075  -4.648
   77    HG3  ARG   9           2HG      ARG   9   8.939   0.202  -5.760
   78    HD2  ARG   9           1HD      ARG   9  10.960  -0.532  -6.990
   79    HD3  ARG   9           2HD      ARG   9  10.516   1.096  -7.462
   80   HH11  ARG   9          1HH1      ARG   9  12.133   0.906  -8.770
   81   HH12  ARG   9          2HH1      ARG   9  13.744   1.478  -9.047
   82   HH21  ARG   9          1HH2      ARG   9  14.478   1.796  -5.601
   83   HH22  ARG   9          2HH2      ARG   9  15.140   2.007  -7.172
   84    H    ILE  10           H        ILE  10  10.241   2.020  -1.203
   85    HA   ILE  10           HA       ILE  10  11.051   4.813  -1.378
   86    HB   ILE  10           HB       ILE  10   9.059   3.674   0.520
   87   HG12  ILE  10          1HG1      ILE  10   8.940   5.503  -1.517
   88   HG13  ILE  10          2HG1      ILE  10   7.770   5.344  -0.223
   89   HG21  ILE  10          1HG2      ILE  10  10.977   5.894   1.282
   90   HG22  ILE  10          2HG2      ILE  10   9.570   5.337   2.219
   91   HG23  ILE  10          3HG2      ILE  10  10.958   4.252   1.969
   92   HD11  ILE  10          3HD1      ILE  10   9.024   7.019   1.133
   93   HD12  ILE  10          1HD1      ILE  10  10.208   7.183  -0.186
   94   HD13  ILE  10          2HD1      ILE  10   8.521   7.690  -0.437
   95    H    ARG  11           H        ARG  11  13.002   5.230  -0.350
   96    HA   ARG  11           HA       ARG  11  14.905   4.826   0.589
   97    HE   ARG  11           HE       ARG  11  14.190   6.422   4.943
   98    HB2  ARG  11           1HB      ARG  11  13.113   3.023   2.214
   99    HB3  ARG  11           2HB      ARG  11  14.842   2.815   2.410
  100    HG2  ARG  11           1HG      ARG  11  14.951   5.393   2.742
  101    HG3  ARG  11           2HG      ARG  11  13.207   5.336   2.902
  102    HD2  ARG  11           1HD      ARG  11  13.402   3.745   4.799
  103    HD3  ARG  11           2HD      ARG  11  15.143   3.696   4.609
  104   HH11  ARG  11          1HH1      ARG  11  14.991   3.469   6.729
  105   HH12  ARG  11          2HH1      ARG  11  15.332   4.307   8.207
  106   HH21  ARG  11          1HH2      ARG  11  14.628   7.493   6.840
  107   HH22  ARG  11          2HH2      ARG  11  15.118   6.693   8.279
  108    H    GLY  12           H        GLY  12  14.275   3.507  -1.909
  109    HA3  GLY  12           2HA      GLY  12  16.417   1.711  -2.130
  110    H    VAL  13           H        VAL  13  13.195   1.278  -0.880
  111    HA   VAL  13           HA       VAL  13  13.388  -1.612  -1.355
  112    HB   VAL  13           HB       VAL  13  12.385  -0.471   1.232
  113   HG11  VAL  13          1HG1      VAL  13  13.416  -3.137   0.263
  114   HG12  VAL  13          2HG1      VAL  13  13.373  -2.738   1.997
  115   HG13  VAL  13          3HG1      VAL  13  11.867  -2.746   1.049
  116   HG21  VAL  13          3HG2      VAL  13  14.415   0.396   1.655
  117   HG22  VAL  13          1HG2      VAL  13  14.948  -1.294   1.827
  118   HG23  VAL  13          2HG2      VAL  13  15.165  -0.445   0.277
  119    H    LEU  14           H        LEU  14  11.213  -2.717  -0.976
  120    HA   LEU  14           HA       LEU  14   9.118  -0.913  -1.958
  121    HG   LEU  14           HG       LEU  14   7.259  -3.404  -3.524
  122    HB2  LEU  14           1HB      LEU  14  10.075  -2.994  -3.263
  123    HB3  LEU  14           2HB      LEU  14   8.986  -3.886  -2.219
  124   HD11  LEU  14          1HD1      LEU  14   7.971  -0.462  -3.507
  125   HD12  LEU  14          2HD1      LEU  14   6.384  -1.203  -3.821
  126   HD13  LEU  14          3HD1      LEU  14   7.098  -1.286  -2.193
  127   HD21  LEU  14          3HD2      LEU  14   9.069  -1.736  -5.282
  128   HD22  LEU  14          1HD2      LEU  14   9.075  -3.516  -5.265
  129   HD23  LEU  14          2HD2      LEU  14   7.605  -2.635  -5.747
  130    H    VAL  15           H        VAL  15   7.575  -0.362  -0.523
  131    HA   VAL  15           HA       VAL  15   7.149  -2.212   1.719
  132    HB   VAL  15           HB       VAL  15   6.317   0.647   1.824
  133   HG11  VAL  15          1HG1      VAL  15   6.533   0.397   4.126
  134   HG12  VAL  15          2HG1      VAL  15   6.003  -1.224   3.617
  135   HG13  VAL  15          3HG1      VAL  15   7.719  -0.921   3.979
  136   HG21  VAL  15          3HG2      VAL  15   8.396   1.293   1.175
  137   HG22  VAL  15          1HG2      VAL  15   8.799   0.886   2.860
  138   HG23  VAL  15          2HG2      VAL  15   9.129  -0.283   1.560
  139    H    ARG  16           H        ARG  16   5.021  -2.804   2.265
  140    HA   ARG  16           HA       ARG  16   3.133  -2.173   0.152
  141    HE   ARG  16           HE       ARG  16   5.888  -6.611  -0.056
  142    HB2  ARG  16           1HB      ARG  16   2.629  -4.356   2.181
  143    HB3  ARG  16           2HB      ARG  16   2.152  -4.290   0.496
  144    HG2  ARG  16           1HG      ARG  16   4.759  -4.368   0.023
  145    HG3  ARG  16           2HG      ARG  16   4.866  -4.972   1.664
  146    HD2  ARG  16           1HD      ARG  16   3.180  -6.772   1.062
  147    HD3  ARG  16           2HD      ARG  16   3.216  -6.203  -0.596
  148   HH11  ARG  16          1HH1      ARG  16   3.023  -8.662   0.316
  149   HH12  ARG  16          2HH1      ARG  16   3.897 -10.139   0.084
  150   HH21  ARG  16          1HH2      ARG  16   7.005  -8.508  -0.353
  151   HH22  ARG  16          2HH2      ARG  16   6.259 -10.055  -0.313
  152    H    TYR  17           H        TYR  17   1.007  -1.402   0.682
  153    HA   TYR  17           HA       TYR  17   0.415  -0.997   3.505
  154    HD1  TYR  17           HD1      TYR  17   2.481   0.912   0.341
  155    HD2  TYR  17           HD2      TYR  17  -1.589   1.935   1.172
  156    HE1  TYR  17           HE1      TYR  17   2.205   1.776  -2.034
  157    HE2  TYR  17           HE2      TYR  17  -1.851   2.796  -1.206
  158    HH   TYR  17           HH       TYR  17  -0.056   3.775  -2.972
  159    HB2  TYR  17           1HB      TYR  17  -0.028   1.430   2.982
  160    HB3  TYR  17           2HB      TYR  17   1.647   1.034   2.649
  161    H    ARG  18           H        ARG  18  -1.873  -0.379   3.869
  162    HA   ARG  18           HA       ARG  18  -3.481  -1.308   1.627
  163    HE   ARG  18           HE       ARG  18  -5.518  -3.466   5.759
  164    HB2  ARG  18           1HB      ARG  18  -4.252  -1.355   4.585
  165    HB3  ARG  18           2HB      ARG  18  -5.106  -2.137   3.269
  166    HG2  ARG  18           1HG      ARG  18  -3.497  -3.832   3.037
  167    HG3  ARG  18           2HG      ARG  18  -2.201  -2.844   3.683
  168    HD2  ARG  18           1HD      ARG  18  -2.821  -4.585   5.318
  169    HD3  ARG  18           2HD      ARG  18  -3.201  -3.002   5.966
  170   HH11  ARG  18          1HH1      ARG  18  -3.601  -6.047   4.271
  171   HH12  ARG  18          2HH1      ARG  18  -4.943  -7.133   4.132
  172   HH21  ARG  18          1HH2      ARG  18  -7.237  -4.862   5.579
  173   HH22  ARG  18          2HH2      ARG  18  -7.101  -6.437   4.906
  174    H    ARG  19           H        ARG  19  -5.121   0.050   0.863
  175    HA   ARG  19           HA       ARG  19  -5.586   2.434   2.468
  176    HE   ARG  19           HE       ARG  19  -5.691   5.306   1.061
  177    HB2  ARG  19           1HB      ARG  19  -5.219   2.124  -0.539
  178    HB3  ARG  19           2HB      ARG  19  -6.081   3.504   0.113
  179    HG2  ARG  19           1HG      ARG  19  -3.870   3.562   1.719
  180    HG3  ARG  19           2HG      ARG  19  -3.167   2.822   0.295
  181    HD2  ARG  19           1HD      ARG  19  -2.928   5.248   0.102
  182    HD3  ARG  19           2HD      ARG  19  -4.075   4.710  -1.108
  183   HH11  ARG  19          1HH1      ARG  19  -3.227   7.126  -0.719
  184   HH12  ARG  19          2HH1      ARG  19  -3.958   8.665  -0.403
  185   HH21  ARG  19          1HH2      ARG  19  -6.625   7.281   1.463
  186   HH22  ARG  19          2HH2      ARG  19  -5.973   8.764   0.890
  187    H    CYS  20           H        CYS  20  -7.785   3.489   1.979
  188    HA   CYS  20           HA       CYS  20  -9.706   1.413   1.209
  189    HB2  CYS  20           1HB      CYS  20  -9.946   3.498   3.385
  190    HB3  CYS  20           2HB      CYS  20 -11.288   2.536   2.798
  191    H    TRP  21           H        TRP  21 -11.723   2.309   0.201
  192    HA   TRP  21           HA       TRP  21 -11.092   4.310  -1.689
  193    HD1  TRP  21           1HD      TRP  21 -15.594   3.895  -2.844
  194    HE1  TRP  21           HE1      TRP  21 -17.594   4.273  -1.164
  195    HE3  TRP  21           HE3      TRP  21 -12.847   3.265   1.389
  196    HZ2  TRP  21           HZ2      TRP  21 -17.798   4.266   1.683
  197    HZ3  TRP  21           HZ3      TRP  21 -14.023   3.467   3.577
  198    HH2  TRP  21           2HH      TRP  21 -16.412   3.949   3.766
  199    HB2  TRP  21           1HB      TRP  21 -12.970   3.661  -2.729
  200    HB3  TRP  21           2HB      TRP  21 -12.798   2.269  -1.678
  Start of MODEL   19
    1    HA   ARG   1           HA       ARG   1 -15.836   1.926   0.680
    2    HE   ARG   1           HE       ARG   1 -20.044   2.176   1.661
    3    H1   ARG   1           1H       ARG   1 -17.777   2.105  -0.550
    4    H2   ARG   1           2H       ARG   1 -16.611   1.293  -1.397
    5    H3   ARG   1           3H       ARG   1 -17.880   0.462  -0.735
    6    HB2  ARG   1           1HB      ARG   1 -18.384   0.588   1.546
    7    HB3  ARG   1           2HB      ARG   1 -17.001   0.356   2.597
    8    HG2  ARG   1           1HG      ARG   1 -16.726   2.734   2.933
    9    HG3  ARG   1           2HG      ARG   1 -17.810   3.123   1.612
   10    HD2  ARG   1           1HD      ARG   1 -18.738   1.588   4.081
   11    HD3  ARG   1           2HD      ARG   1 -18.784   3.338   3.994
   12   HH11  ARG   1          1HH1      ARG   1 -20.603   2.835   5.097
   13   HH12  ARG   1          2HH1      ARG   1 -22.326   2.895   4.932
   14   HH21  ARG   1          1HH2      ARG   1 -22.254   2.253   1.454
   15   HH22  ARG   1          2HH2      ARG   1 -23.312   2.551   2.775
   16    H    TRP   2           H        TRP   2 -14.031   0.771  -0.134
   17    HA   TRP   2           HA       TRP   2 -13.830  -1.960   0.801
   18    HD1  TRP   2           HD1      TRP   2 -11.355  -3.008  -2.610
   19    HE1  TRP   2           HE1      TRP   2 -10.280  -1.532  -4.515
   20    HE3  TRP   2           HE3      TRP   2 -14.754   0.764  -2.331
   21    HZ2  TRP   2           HZ2      TRP   2 -10.956   0.991  -5.665
   22    HZ3  TRP   2           HZ3      TRP   2 -14.474   2.696  -3.880
   23    HH2  TRP   2           HH2      TRP   2 -12.655   2.848  -5.506
   24    HB2  TRP   2           1HB      TRP   2 -13.571  -3.030  -1.179
   25    HB3  TRP   2           2HB      TRP   2 -14.784  -1.849  -1.634
   26    H    CYS   3           H        CYS   3 -11.495  -2.674   0.691
   27    HA   CYS   3           HA       CYS   3  -9.688  -0.396   0.416
   28    HB2  CYS   3           1HB      CYS   3  -9.552  -2.358   2.710
   29    HB3  CYS   3           2HB      CYS   3  -8.520  -0.968   2.441
   30    H    VAL   4           H        VAL   4  -7.445  -1.087  -0.078
   31    HA   VAL   4           HA       VAL   4  -7.056  -3.899  -0.626
   32    HB   VAL   4           HB       VAL   4  -6.464  -3.531  -2.959
   33   HG11  VAL   4          1HG1      VAL   4  -8.710  -3.306  -3.867
   34   HG12  VAL   4          2HG1      VAL   4  -8.760  -4.243  -2.354
   35   HG13  VAL   4          3HG1      VAL   4  -9.272  -2.537  -2.363
   36   HG21  VAL   4          3HG2      VAL   4  -5.929  -1.050  -2.596
   37   HG22  VAL   4          1HG2      VAL   4  -6.744  -1.493  -4.116
   38   HG23  VAL   4          2HG2      VAL   4  -7.676  -0.765  -2.785
   39    H    TYR   5           H        TYR   5  -4.754  -4.371  -1.118
   40    HA   TYR   5           HA       TYR   5  -3.070  -2.406   0.235
   41    HD1  TYR   5           HD1      TYR   5  -4.515  -3.665   1.787
   42    HD2  TYR   5           HD2      TYR   5  -2.979  -7.249   0.026
   43    HE1  TYR   5           HE1      TYR   5  -6.249  -5.035   3.045
   44    HE2  TYR   5           HE2      TYR   5  -4.718  -8.606   1.290
   45    HH   TYR   5           HH       TYR   5  -7.183  -7.918   2.257
   46    HB2  TYR   5           1HB      TYR   5  -2.219  -5.155  -0.752
   47    HB3  TYR   5           2HB      TYR   5  -1.763  -4.356   0.740
   48    H    ALA   6           H        ALA   6  -0.977  -1.803  -0.632
   49    HA   ALA   6           HA       ALA   6  -0.469  -2.480  -3.399
   50    HB1  ALA   6           3HB      ALA   6  -1.811  -0.645  -3.923
   51    HB2  ALA   6           1HB      ALA   6  -1.365   0.236  -2.443
   52    HB3  ALA   6           2HB      ALA   6  -0.206   0.112  -3.787
   53    H    TYR   7           H        TYR   7   1.726  -1.750  -4.068
   54    HA   TYR   7           HA       TYR   7   3.437  -1.435  -1.695
   55    HD1  TYR   7           HD2      TYR   7   3.402  -3.888  -1.075
   56    HD2  TYR   7           HD1      TYR   7   3.059  -4.364  -5.313
   57    HE1  TYR   7           HE2      TYR   7   2.183  -6.093  -0.736
   58    HE2  TYR   7           HE1      TYR   7   1.841  -6.567  -4.960
   59    HH   TYR   7           HH       TYR   7   0.328  -7.445  -2.708
   60    HB2  TYR   7           1HB      TYR   7   4.138  -2.492  -4.492
   61    HB3  TYR   7           2HB      TYR   7   5.041  -2.759  -3.014
   62    H    VAL   8           H        VAL   8   4.963   0.201  -1.647
   63    HA   VAL   8           HA       VAL   8   5.128   1.853  -4.070
   64    HB   VAL   8           HB       VAL   8   3.766   3.126  -2.702
   65   HG11  VAL   8          1HG1      VAL   8   5.478   2.500  -0.276
   66   HG12  VAL   8          2HG1      VAL   8   3.912   3.345  -0.315
   67   HG13  VAL   8          3HG1      VAL   8   3.998   1.611  -0.708
   68   HG21  VAL   8          3HG2      VAL   8   6.614   3.949  -2.040
   69   HG22  VAL   8          1HG2      VAL   8   5.654   4.453  -3.452
   70   HG23  VAL   8          2HG2      VAL   8   5.176   4.975  -1.819
   71    H    ARG   9           H        ARG   9   7.182   2.974  -4.353
   72    HA   ARG   9           HA       ARG   9   9.298   1.379  -3.255
   73    HE   ARG   9           HE       ARG   9  10.751   4.684  -6.998
   74    HB2  ARG   9           1HB      ARG   9   9.696   1.704  -5.539
   75    HB3  ARG   9           2HB      ARG   9   8.984   3.305  -5.548
   76    HG2  ARG   9           1HG      ARG   9  10.940   4.326  -4.656
   77    HG3  ARG   9           2HG      ARG   9  11.557   2.814  -4.020
   78    HD2  ARG   9           1HD      ARG   9  12.895   2.968  -5.910
   79    HD3  ARG   9           2HD      ARG   9  11.541   2.111  -6.620
   80   HH11  ARG   9          1HH1      ARG   9  13.885   3.140  -7.584
   81   HH12  ARG   9          2HH1      ARG   9  14.308   4.206  -8.882
   82   HH21  ARG   9          1HH2      ARG   9  11.297   6.050  -8.664
   83   HH22  ARG   9          2HH2      ARG   9  12.777   5.933  -9.528
   84    H    ILE  10           H        ILE  10  10.051   2.014  -1.247
   85    HA   ILE  10           HA       ILE  10  10.722   4.841  -0.944
   86    HB   ILE  10           HB       ILE  10   8.918   3.213   0.803
   87   HG12  ILE  10          1HG1      ILE  10   8.522   5.296  -0.987
   88   HG13  ILE  10          2HG1      ILE  10   7.388   4.721   0.218
   89   HG21  ILE  10          1HG2      ILE  10  10.717   3.837   2.300
   90   HG22  ILE  10          2HG2      ILE  10  10.642   5.524   1.737
   91   HG23  ILE  10          3HG2      ILE  10   9.276   4.826   2.638
   92   HD11  ILE  10          3HD1      ILE  10   9.506   6.854   0.749
   93   HD12  ILE  10          1HD1      ILE  10   7.804   7.196   0.358
   94   HD13  ILE  10          2HD1      ILE  10   8.217   6.340   1.863
   95    H    ARG  11           H        ARG  11  12.717   5.172  -0.033
   96    HA   ARG  11           HA       ARG  11  14.671   4.740   0.778
   97    HE   ARG  11           HE       ARG  11  11.749   5.561   4.459
   98    HB2  ARG  11           1HB      ARG  11  13.202   2.455   2.172
   99    HB3  ARG  11           2HB      ARG  11  14.899   2.779   2.464
  100    HG2  ARG  11           1HG      ARG  11  14.474   4.853   3.502
  101    HG3  ARG  11           2HG      ARG  11  12.936   5.067   2.689
  102    HD2  ARG  11           1HD      ARG  11  12.268   2.865   4.072
  103    HD3  ARG  11           2HD      ARG  11  13.582   3.380   5.112
  104   HH11  ARG  11          1HH1      ARG  11  12.299   2.835   6.654
  105   HH12  ARG  11          2HH1      ARG  11  11.315   3.494   7.918
  106   HH21  ARG  11          1HH2      ARG  11  10.488   6.403   6.083
  107   HH22  ARG  11          2HH2      ARG  11  10.238   5.609   7.586
  108    H    GLY  12           H        GLY  12  13.940   3.671  -1.827
  109    HA3  GLY  12           2HA      GLY  12  16.145   2.017  -2.356
  110    H    VAL  13           H        VAL  13  13.000   1.303  -1.028
  111    HA   VAL  13           HA       VAL  13  13.274  -1.502  -1.842
  112    HB   VAL  13           HB       VAL  13  12.444  -0.678   0.927
  113   HG11  VAL  13          1HG1      VAL  13  13.528  -3.043   1.301
  114   HG12  VAL  13          2HG1      VAL  13  11.886  -2.904   0.630
  115   HG13  VAL  13          3HG1      VAL  13  13.265  -3.220  -0.451
  116   HG21  VAL  13          3HG2      VAL  13  15.146  -0.577  -0.231
  117   HG22  VAL  13          1HG2      VAL  13  14.515   0.123   1.279
  118   HG23  VAL  13          2HG2      VAL  13  15.028  -1.581   1.234
  119    H    LEU  14           H        LEU  14  11.178  -2.735  -1.512
  120    HA   LEU  14           HA       LEU  14   8.979  -0.940  -2.218
  121    HG   LEU  14           HG       LEU  14   7.067  -3.474  -3.684
  122    HB2  LEU  14           1HB      LEU  14   9.876  -2.946  -3.647
  123    HB3  LEU  14           2HB      LEU  14   8.918  -3.914  -2.545
  124   HD11  LEU  14          1HD1      LEU  14   6.925  -1.402  -2.286
  125   HD12  LEU  14          2HD1      LEU  14   7.662  -0.506  -3.636
  126   HD13  LEU  14          3HD1      LEU  14   6.084  -1.301  -3.852
  127   HD21  LEU  14          3HD2      LEU  14   7.207  -2.405  -5.895
  128   HD22  LEU  14          1HD2      LEU  14   8.840  -1.817  -5.499
  129   HD23  LEU  14          2HD2      LEU  14   8.529  -3.565  -5.622
  130    H    VAL  15           H        VAL  15   7.608  -0.394  -0.617
  131    HA   VAL  15           HA       VAL  15   7.309  -2.323   1.577
  132    HB   VAL  15           HB       VAL  15   6.461   0.525   1.807
  133   HG11  VAL  15          1HG1      VAL  15   7.285  -1.717   3.573
  134   HG12  VAL  15          2HG1      VAL  15   7.782  -0.087   4.086
  135   HG13  VAL  15          3HG1      VAL  15   6.060  -0.449   3.817
  136   HG21  VAL  15          3HG2      VAL  15   9.350  -0.394   1.763
  137   HG22  VAL  15          1HG2      VAL  15   8.587   0.874   0.774
  138   HG23  VAL  15          2HG2      VAL  15   8.811   1.122   2.522
  139    H    ARG  16           H        ARG  16   5.226  -2.949   2.244
  140    HA   ARG  16           HA       ARG  16   3.226  -2.393   0.230
  141    HE   ARG  16           HE       ARG  16   5.586  -7.044   2.085
  142    HB2  ARG  16           1HB      ARG  16   2.790  -4.389   2.456
  143    HB3  ARG  16           2HB      ARG  16   2.243  -4.460   0.793
  144    HG2  ARG  16           1HG      ARG  16   4.754  -4.685   0.148
  145    HG3  ARG  16           2HG      ARG  16   5.053  -4.976   1.850
  146    HD2  ARG  16           1HD      ARG  16   2.832  -6.641   1.102
  147    HD3  ARG  16           2HD      ARG  16   4.045  -6.823  -0.149
  148   HH11  ARG  16          1HH1      ARG  16   2.497  -8.568   1.254
  149   HH12  ARG  16          2HH1      ARG  16   2.804  -9.989   2.196
  150   HH21  ARG  16          1HH2      ARG  16   5.975  -8.869   3.292
  151   HH22  ARG  16          2HH2      ARG  16   4.864 -10.174   3.407
  152    H    TYR  17           H        TYR  17   1.049  -1.711   0.845
  153    HA   TYR  17           HA       TYR  17   0.619  -1.013   3.626
  154    HD1  TYR  17           HD1      TYR  17   2.663   0.565   0.343
  155    HD2  TYR  17           HD2      TYR  17  -1.390   1.757   1.015
  156    HE1  TYR  17           HE1      TYR  17   2.438   1.205  -2.107
  157    HE2  TYR  17           HE2      TYR  17  -1.602   2.394  -1.438
  158    HH   TYR  17           HH       TYR  17   0.024   3.123  -3.253
  159    HB2  TYR  17           1HB      TYR  17   0.113   1.370   2.883
  160    HB3  TYR  17           2HB      TYR  17   1.796   0.955   2.625
  161    H    ARG  18           H        ARG  18  -1.661  -0.215   3.978
  162    HA   ARG  18           HA       ARG  18  -3.362  -1.393   1.930
  163    HE   ARG  18           HE       ARG  18  -4.996  -2.471   5.970
  164    HB2  ARG  18           1HB      ARG  18  -4.114  -1.045   4.865
  165    HB3  ARG  18           2HB      ARG  18  -4.903  -2.062   3.676
  166    HG2  ARG  18           1HG      ARG  18  -2.490  -3.207   3.512
  167    HG3  ARG  18           2HG      ARG  18  -2.273  -2.501   5.101
  168    HD2  ARG  18           1HD      ARG  18  -4.365  -4.531   4.228
  169    HD3  ARG  18           2HD      ARG  18  -3.162  -4.699   5.491
  170   HH11  ARG  18          1HH1      ARG  18  -4.547  -5.962   6.377
  171   HH12  ARG  18          2HH1      ARG  18  -5.651  -6.075   7.706
  172   HH21  ARG  18          1HH2      ARG  18  -6.413  -2.621   7.675
  173   HH22  ARG  18          2HH2      ARG  18  -6.761  -4.097   8.481
  174    H    ARG  19           H        ARG  19  -4.906  -0.052   0.996
  175    HA   ARG  19           HA       ARG  19  -5.329   2.488   2.357
  176    HE   ARG  19           HE       ARG  19  -5.758   5.566   0.294
  177    HB2  ARG  19           1HB      ARG  19  -4.937   1.846  -0.587
  178    HB3  ARG  19           2HB      ARG  19  -5.841   3.275  -0.127
  179    HG2  ARG  19           1HG      ARG  19  -3.559   3.381   1.518
  180    HG3  ARG  19           2HG      ARG  19  -2.937   2.784  -0.008
  181    HD2  ARG  19           1HD      ARG  19  -2.845   5.212  -0.082
  182    HD3  ARG  19           2HD      ARG  19  -4.108   4.702  -1.184
  183   HH11  ARG  19          1HH1      ARG  19  -2.534   5.778   1.749
  184   HH12  ARG  19          2HH1      ARG  19  -3.041   6.842   3.018
  185   HH21  ARG  19          1HH2      ARG  19  -6.404   6.929   1.924
  186   HH22  ARG  19          2HH2      ARG  19  -5.335   7.528   3.128
  187    H    CYS  20           H        CYS  20  -7.506   3.546   1.711
  188    HA   CYS  20           HA       CYS  20  -9.476   1.455   1.136
  189    HB2  CYS  20           1HB      CYS  20  -9.548   3.584   3.269
  190    HB3  CYS  20           2HB      CYS  20 -11.009   2.826   2.667
  191    H    TRP  21           H        TRP  21 -11.579   2.458   0.263
  192    HA   TRP  21           HA       TRP  21 -10.946   4.210  -1.852
  193    HD1  TRP  21           1HD      TRP  21 -15.556   4.205  -2.550
  194    HE1  TRP  21           HE1      TRP  21 -17.334   4.924  -0.737
  195    HE3  TRP  21           HE3      TRP  21 -12.489   3.594   1.459
  196    HZ2  TRP  21           HZ2      TRP  21 -17.259   5.151   2.107
  197    HZ3  TRP  21           HZ3      TRP  21 -13.420   4.086   3.719
  198    HH2  TRP  21           2HH      TRP  21 -15.717   4.840   4.078
  199    HB2  TRP  21           1HB      TRP  21 -12.976   3.683  -2.652
  200    HB3  TRP  21           2HB      TRP  21 -12.835   2.375  -1.494
  Start of MODEL   20
    1    HA   ARG   1           HA       ARG   1 -14.241   2.794  -1.621
    2    HE   ARG   1           HE       ARG   1 -16.675   5.249   2.226
    3    H1   ARG   1           1H       ARG   1 -16.217   3.113  -2.765
    4    H2   ARG   1           2H       ARG   1 -15.635   1.582  -3.002
    5    H3   ARG   1           3H       ARG   1 -16.931   1.827  -2.004
    6    HB2  ARG   1           1HB      ARG   1 -14.976   3.653   0.543
    7    HB3  ARG   1           2HB      ARG   1 -16.072   4.270  -0.677
    8    HG2  ARG   1           1HG      ARG   1 -17.493   2.098  -0.111
    9    HG3  ARG   1           2HG      ARG   1 -16.556   2.087   1.369
   10    HD2  ARG   1           1HD      ARG   1 -18.039   4.575   0.412
   11    HD3  ARG   1           2HD      ARG   1 -18.803   3.370   1.429
   12   HH11  ARG   1          1HH1      ARG   1 -18.472   2.314   3.070
   13   HH12  ARG   1          2HH1      ARG   1 -18.085   2.413   4.756
   14   HH21  ARG   1          1HH2      ARG   1 -16.181   5.372   4.389
   15   HH22  ARG   1          2HH2      ARG   1 -16.726   4.223   5.544
   16    H    TRP   2           H        TRP   2 -12.935   1.055  -1.139
   17    HA   TRP   2           HA       TRP   2 -13.851  -0.821   0.865
   18    HD1  TRP   2           HD1      TRP   2 -11.444  -3.585  -1.851
   19    HE1  TRP   2           HE1      TRP   2 -10.409  -3.095  -4.228
   20    HE3  TRP   2           HE3      TRP   2 -14.462   0.362  -2.929
   21    HZ2  TRP   2           HZ2      TRP   2 -10.957  -1.154  -6.248
   22    HZ3  TRP   2           HZ3      TRP   2 -14.147   1.499  -5.125
   23    HH2  TRP   2           HH2      TRP   2 -12.467   0.800  -6.758
   24    HB2  TRP   2           1HB      TRP   2 -13.503  -2.789  -0.417
   25    HB3  TRP   2           2HB      TRP   2 -14.663  -1.781  -1.259
   26    H    CYS   3           H        CYS   3 -11.866  -2.410   1.287
   27    HA   CYS   3           HA       CYS   3  -9.527  -0.677   1.328
   28    HB2  CYS   3           1HB      CYS   3 -10.192  -3.163   2.919
   29    HB3  CYS   3           2HB      CYS   3  -8.685  -2.276   3.041
   30    H    VAL   4           H        VAL   4  -7.476  -1.453   0.529
   31    HA   VAL   4           HA       VAL   4  -7.398  -4.069  -0.689
   32    HB   VAL   4           HB       VAL   4  -7.150  -3.429  -2.886
   33   HG11  VAL   4          1HG1      VAL   4  -9.041  -1.914  -3.443
   34   HG12  VAL   4          2HG1      VAL   4  -9.473  -3.155  -2.242
   35   HG13  VAL   4          3HG1      VAL   4  -9.167  -1.481  -1.722
   36   HG21  VAL   4          3HG2      VAL   4  -6.605  -0.616  -1.892
   37   HG22  VAL   4          1HG2      VAL   4  -5.472  -1.733  -2.691
   38   HG23  VAL   4          2HG2      VAL   4  -6.828  -1.034  -3.608
   39    H    TYR   5           H        TYR   5  -5.181  -4.685  -1.273
   40    HA   TYR   5           HA       TYR   5  -3.267  -3.169   0.338
   41    HD1  TYR   5           HD2      TYR   5  -4.528  -4.249   1.914
   42    HD2  TYR   5           HD1      TYR   5  -3.877  -7.915  -0.194
   43    HE1  TYR   5           HE2      TYR   5  -6.237  -5.412   3.394
   44    HE2  TYR   5           HE1      TYR   5  -5.589  -9.066   1.294
   45    HH   TYR   5           HH       TYR   5  -7.787  -7.890   2.750
   46    HB2  TYR   5           1HB      TYR   5  -2.963  -5.893  -1.038
   47    HB3  TYR   5           2HB      TYR   5  -2.109  -5.330   0.385
   48    H    ALA   6           H        ALA   6  -1.392  -2.284  -0.514
   49    HA   ALA   6           HA       ALA   6  -0.683  -2.905  -3.248
   50    HB1  ALA   6           3HB      ALA   6  -1.915  -0.313  -2.360
   51    HB2  ALA   6           1HB      ALA   6  -0.603  -0.261  -3.561
   52    HB3  ALA   6           2HB      ALA   6  -2.085  -1.185  -3.902
   53    H    TYR   7           H        TYR   7   1.460  -1.876  -3.811
   54    HA   TYR   7           HA       TYR   7   3.015  -1.477  -1.343
   55    HD1  TYR   7           HD2      TYR   7   3.770  -4.236  -0.849
   56    HD2  TYR   7           HD1      TYR   7   2.480  -4.075  -4.925
   57    HE1  TYR   7           HE2      TYR   7   2.725  -6.542  -0.616
   58    HE2  TYR   7           HE1      TYR   7   1.439  -6.382  -4.679
   59    HH   TYR   7           HH       TYR   7   2.145  -8.411  -2.105
   60    HB2  TYR   7           1HB      TYR   7   3.966  -2.426  -4.103
   61    HB3  TYR   7           2HB      TYR   7   4.796  -2.643  -2.575
   62    H    VAL   8           H        VAL   8   4.969  -0.084  -1.584
   63    HA   VAL   8           HA       VAL   8   4.806   1.773  -3.826
   64    HB   VAL   8           HB       VAL   8   3.526   3.023  -2.398
   65   HG11  VAL   8          1HG1      VAL   8   4.600   3.086   0.168
   66   HG12  VAL   8          2HG1      VAL   8   3.169   2.169  -0.358
   67   HG13  VAL   8          3HG1      VAL   8   4.765   1.383  -0.322
   68   HG21  VAL   8          3HG2      VAL   8   4.932   4.795  -1.417
   69   HG22  VAL   8          1HG2      VAL   8   6.364   3.752  -1.597
   70   HG23  VAL   8          2HG2      VAL   8   5.493   4.325  -3.039
   71    H    ARG   9           H        ARG   9   6.815   3.091  -4.025
   72    HA   ARG   9           HA       ARG   9   9.024   1.468  -3.126
   73    HE   ARG   9           HE       ARG   9  11.302   5.304  -6.372
   74    HB2  ARG   9           1HB      ARG   9   9.296   1.851  -5.424
   75    HB3  ARG   9           2HB      ARG   9   8.562   3.441  -5.358
   76    HG2  ARG   9           1HG      ARG   9  10.541   4.477  -4.576
   77    HG3  ARG   9           2HG      ARG   9  11.195   2.982  -3.936
   78    HD2  ARG   9           1HD      ARG   9  12.289   2.574  -5.884
   79    HD3  ARG   9           2HD      ARG   9  10.788   2.646  -6.785
   80   HH11  ARG   9          1HH1      ARG   9  13.350   2.673  -7.572
   81   HH12  ARG   9          2HH1      ARG   9  14.320   3.713  -8.561
   82   HH21  ARG   9          1HH2      ARG   9  12.550   6.634  -7.641
   83   HH22  ARG   9          2HH2      ARG   9  13.852   6.062  -8.606
   84    H    ILE  10           H        ILE  10   9.922   2.086  -1.179
   85    HA   ILE  10           HA       ILE  10  10.419   4.946  -0.814
   86    HB   ILE  10           HB       ILE  10   9.149   3.083   1.193
   87   HG12  ILE  10          1HG1      ILE  10   7.993   4.712  -0.749
   88   HG13  ILE  10          2HG1      ILE  10   7.199   4.001   0.642
   89   HG21  ILE  10          1HG2      ILE  10  10.159   5.910   1.608
   90   HG22  ILE  10          2HG2      ILE  10   9.259   4.925   2.787
   91   HG23  ILE  10          3HG2      ILE  10  10.889   4.429   2.272
   92   HD11  ILE  10          3HD1      ILE  10   6.845   6.461   0.549
   93   HD12  ILE  10          1HD1      ILE  10   7.746   5.995   2.011
   94   HD13  ILE  10          2HD1      ILE  10   8.605   6.713   0.627
   95    H    ARG  11           H        ARG  11  12.480   5.391  -0.163
   96    HA   ARG  11           HA       ARG  11  14.541   5.090   0.408
   97    HE   ARG  11           HE       ARG  11  16.351   6.356   2.091
   98    HB2  ARG  11           1HB      ARG  11  13.314   2.799   1.991
   99    HB3  ARG  11           2HB      ARG  11  15.048   3.055   2.013
  100    HG2  ARG  11           1HG      ARG  11  13.388   5.500   2.477
  101    HG3  ARG  11           2HG      ARG  11  13.299   4.284   3.735
  102    HD2  ARG  11           1HD      ARG  11  15.214   5.243   4.538
  103    HD3  ARG  11           2HD      ARG  11  16.026   4.352   3.266
  104   HH11  ARG  11          1HH1      ARG  11  13.908   6.879   4.603
  105   HH12  ARG  11          2HH1      ARG  11  13.852   8.593   4.366
  106   HH21  ARG  11          1HH2      ARG  11  16.276   8.556   1.790
  107   HH22  ARG  11          2HH2      ARG  11  15.253   9.594   2.699
  108    H    GLY  12           H        GLY  12  13.642   4.004  -2.110
  109    HA3  GLY  12           2HA      GLY  12  15.860   2.468  -2.869
  110    H    VAL  13           H        VAL  13  12.906   1.579  -1.245
  111    HA   VAL  13           HA       VAL  13  13.299  -1.213  -2.069
  112    HB   VAL  13           HB       VAL  13  12.503  -0.421   0.715
  113   HG11  VAL  13          1HG1      VAL  13  14.147  -2.738   0.602
  114   HG12  VAL  13          2HG1      VAL  13  12.409  -2.633   0.972
  115   HG13  VAL  13          3HG1      VAL  13  12.949  -2.875  -0.707
  116   HG21  VAL  13          3HG2      VAL  13  15.153  -0.090  -0.528
  117   HG22  VAL  13          1HG2      VAL  13  14.495   0.594   0.978
  118   HG23  VAL  13          2HG2      VAL  13  15.163  -1.056   0.966
  119    H    LEU  14           H        LEU  14  11.320  -2.574  -1.735
  120    HA   LEU  14           HA       LEU  14   8.974  -0.943  -2.341
  121    HG   LEU  14           HG       LEU  14   7.198  -3.679  -3.665
  122    HB2  LEU  14           1HB      LEU  14   9.934  -2.864  -3.811
  123    HB3  LEU  14           2HB      LEU  14   9.155  -3.921  -2.650
  124   HD11  LEU  14          1HD1      LEU  14   6.919  -1.639  -2.254
  125   HD12  LEU  14          2HD1      LEU  14   7.493  -0.665  -3.629
  126   HD13  LEU  14          3HD1      LEU  14   5.992  -1.611  -3.773
  127   HD21  LEU  14          3HD2      LEU  14   7.083  -2.583  -5.875
  128   HD22  LEU  14          1HD2      LEU  14   8.687  -1.868  -5.584
  129   HD23  LEU  14          2HD2      LEU  14   8.508  -3.635  -5.700
  130    H    VAL  15           H        VAL  15   7.695  -0.437  -0.651
  131    HA   VAL  15           HA       VAL  15   7.576  -2.378   1.546
  132    HB   VAL  15           HB       VAL  15   6.586   0.428   1.777
  133   HG11  VAL  15          1HG1      VAL  15   6.268  -0.524   3.809
  134   HG12  VAL  15          2HG1      VAL  15   7.520  -1.763   3.547
  135   HG13  VAL  15          3HG1      VAL  15   7.986  -0.115   4.035
  136   HG21  VAL  15          3HG2      VAL  15   8.956   1.080   2.482
  137   HG22  VAL  15          1HG2      VAL  15   9.499  -0.377   1.615
  138   HG23  VAL  15          2HG2      VAL  15   8.652   0.918   0.735
  139    H    ARG  16           H        ARG  16   5.528  -3.020   2.382
  140    HA   ARG  16           HA       ARG  16   3.450  -2.714   0.397
  141    HE   ARG  16           HE       ARG  16   5.436  -6.764  -0.451
  142    HB2  ARG  16           1HB      ARG  16   3.162  -4.523   2.800
  143    HB3  ARG  16           2HB      ARG  16   2.573  -4.762   1.167
  144    HG2  ARG  16           1HG      ARG  16   5.078  -4.930   0.470
  145    HG3  ARG  16           2HG      ARG  16   5.426  -5.077   2.181
  146    HD2  ARG  16           1HD      ARG  16   4.709  -7.243   2.245
  147    HD3  ARG  16           2HD      ARG  16   3.228  -6.863   1.390
  148   HH11  ARG  16          1HH1      ARG  16   3.478  -9.098   1.358
  149   HH12  ARG  16          2HH1      ARG  16   3.734 -10.380   0.222
  150   HH21  ARG  16          1HH2      ARG  16   5.761  -8.411  -1.905
  151   HH22  ARG  16          2HH2      ARG  16   5.086  -9.980  -1.715
  152    H    TYR  17           H        TYR  17   1.283  -2.025   0.989
  153    HA   TYR  17           HA       TYR  17   0.876  -1.128   3.719
  154    HD1  TYR  17           HD1      TYR  17  -1.517   1.407   1.549
  155    HD2  TYR  17           HD2      TYR  17   2.293   0.391  -0.114
  156    HE1  TYR  17           HE1      TYR  17  -2.368   1.987  -0.776
  157    HE2  TYR  17           HE2      TYR  17   1.428   0.974  -2.432
  158    HH   TYR  17           HH       TYR  17  -1.838   2.285  -2.861
  159    HB2  TYR  17           1HB      TYR  17   0.486   1.181   2.973
  160    HB3  TYR  17           2HB      TYR  17   2.026   0.707   2.285
  161    H    ARG  18           H        ARG  18  -1.447  -0.102   3.865
  162    HA   ARG  18           HA       ARG  18  -3.150  -1.444   1.934
  163    HE   ARG  18           HE       ARG  18  -4.868  -3.554   6.238
  164    HB2  ARG  18           1HB      ARG  18  -3.639  -1.400   4.955
  165    HB3  ARG  18           2HB      ARG  18  -4.666  -2.170   3.762
  166    HG2  ARG  18           1HG      ARG  18  -3.138  -3.911   3.354
  167    HG3  ARG  18           2HG      ARG  18  -1.753  -2.959   3.850
  168    HD2  ARG  18           1HD      ARG  18  -2.208  -4.650   5.567
  169    HD3  ARG  18           2HD      ARG  18  -2.546  -3.064   6.233
  170   HH11  ARG  18          1HH1      ARG  18  -3.060  -6.133   4.614
  171   HH12  ARG  18          2HH1      ARG  18  -4.396  -7.235   4.609
  172   HH21  ARG  18          1HH2      ARG  18  -6.578  -4.972   6.229
  173   HH22  ARG  18          2HH2      ARG  18  -6.485  -6.553   5.565
  174    H    ARG  19           H        ARG  19  -4.872  -0.161   1.224
  175    HA   ARG  19           HA       ARG  19  -5.464   2.173   2.841
  176    HE   ARG  19           HE       ARG  19  -5.535   5.185   1.502
  177    HB2  ARG  19           1HB      ARG  19  -4.775   2.095  -0.124
  178    HB3  ARG  19           2HB      ARG  19  -5.749   3.397   0.530
  179    HG2  ARG  19           1HG      ARG  19  -3.734   3.431   2.357
  180    HG3  ARG  19           2HG      ARG  19  -2.848   2.774   0.995
  181    HD2  ARG  19           1HD      ARG  19  -2.642   5.198   0.909
  182    HD3  ARG  19           2HD      ARG  19  -3.671   4.706  -0.422
  183   HH11  ARG  19          1HH1      ARG  19  -2.739   7.106   0.480
  184   HH12  ARG  19          2HH1      ARG  19  -3.469   8.620   0.901
  185   HH21  ARG  19          1HH2      ARG  19  -6.467   7.129   2.041
  186   HH22  ARG  19          2HH2      ARG  19  -5.679   8.640   1.827
  187    H    CYS  20           H        CYS  20  -7.648   3.164   2.230
  188    HA   CYS  20           HA       CYS  20  -9.355   1.347   0.746
  189    HB2  CYS  20           1HB      CYS  20 -10.414   2.291   3.368
  190    HB3  CYS  20           2HB      CYS  20 -10.859   0.891   2.412
  191    H    TRP  21           H        TRP  21 -10.928   2.508  -0.407
  192    HA   TRP  21           HA       TRP  21 -11.087   5.379   0.218
  193    HD1  TRP  21           1HD      TRP  21 -12.173   3.170  -3.784
  194    HE1  TRP  21           HE1      TRP  21 -10.744   1.198  -4.802
  195    HE3  TRP  21           HE3      TRP  21  -7.932   4.196  -1.173
  196    HZ2  TRP  21           HZ2      TRP  21  -8.061   0.309  -4.410
  197    HZ3  TRP  21           HZ3      TRP  21  -5.953   2.727  -1.549
  198    HH2  TRP  21           2HH      TRP  21  -5.971   0.840  -3.102
  199    HB2  TRP  21           1HB      TRP  21 -11.650   5.403  -2.375
  200    HB3  TRP  21           2HB      TRP  21 -10.022   5.576  -1.749