*HEADER    VIRUS/VIRAL PROTEIN                     08-FEB-02   1KZS              
*TITLE     STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 VPR(34-51)           
*TITLE    2 PEPTIDE IN AQUEOUS TFE SOLUTION                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VPR PROTEIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 34-51;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED. IT           
*SOURCE   4 IS NATURALLY FOUND IN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1            
*SOURCE   5 (NEW YORK-5 ISOLATE) (HIV-1).                                        
*KEYWDS    HIV-1, VPR, PEPTIDE, SOLUTION STRUCTURE, TFE, NMR                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.ENGLER, T.STANGLER, D.WILLBOLD                                      
*REVDAT   1   28-AUG-02 1KZS    0                                                
assign (resid 37 and name HN) (resid 36 and name HN)  0.0 0.0 3.5
assign (resid 38 and name HN) (resid 37 and name HN)  0.0 0.0 2.7
assign (resid 48 and name HN) (resid 49 and name HN)  0.0 0.0 2.7
assign (resid 47 and name HN) (resid 49 and name HN)  0.0 0.0 5.0
assign (resid 50 and name HN) (resid 49 and name HN)  0.0 0.0 2.7
assign (resid 39 and name HN) (resid 37 and name HN)  0.0 0.0 5.0
assign (resid 48 and name HN) (resid 47 and name HD*)  0.0 0.0 5.0
assign (resid 44 and name HN) (resid 41 and name HA)  0.0 0.0 5.0
assign (resid 48 and name HN) (resid 45 and name HA)  0.0 0.0 5.0
assign (resid 46 and name HN) (resid 45 and name HA)  0.0 0.0 5.0
assign (resid 42 and name HN) (resid 41 and name HA)  0.0 0.0 5.0
assign (resid 48 and name HN) (resid 47 and name HA)  0.0 0.0 3.5
assign (resid 51 and name HN) (resid 47 and name HA)  0.0 0.0 5.0
assign (resid 46 and name HN) (resid 42 and name HA)  0.0 0.0 5.0
assign (resid 51 and name HN) (resid 48 and name HA)  0.0 0.0 5.0
assign (resid 40 and name HN) (resid 37 and name HA)  0.0 0.0 5.0
assign (resid 48 and name HN) (resid 47 and name HB*)  0.0 0.0 3.5 
assign (resid 49 and name HN) (resid 48 and name HB*)  0.0 0.0 3.5
assign (resid 51 and name HN) (resid 47 and name HD*)  0.0 0.0 5.0
assign (resid 37 and name HN) (resid 36 and name HA)  0.0 0.0 3.5
assign (resid 49 and name HN) (resid 47 and name HA)  0.0 0.0 5.0
assign (resid 49 and name HN) (resid 46 and name HA)  0.0 0.0 5.0
assign (resid 36 and name HN) (resid 35 and name HD*)  0.0 0.0 3.5
assign (resid 49 and name HN) (resid 48 and name HG*)  0.0 0.0 5.0
assign (resid 37 and name HN) (resid 36 and name HG*)  0.0 0.0 5.0
assign (resid 47 and name HN) (resid 46 and name HB)  0.0 0.0 5.0
assign (resid 43 and name HN) (resid 42 and name HG)  0.0 0.0 5.0
assign (resid 38 and name HN) (resid 37 and name HG11)  0.0 0.0 3.5
assign (resid 47 and name HN) (resid 46 and name HG1*)  0.0 0.0 3.5
assign (resid 42 and name HN) (resid 41 and name HB1)  0.0 0.0 3.5
assign (resid 42 and name HN) (resid 41 and name HB2)  0.0 0.0 3.5
assign (resid 39 and name HN) (resid 38 and name HA)  0.0 0.0 5.0
assign (resid 41 and name HN) (resid 40 and name HN)  0.0 0.0 2.7
assign (resid 47 and name HN) (resid 48 and name HN)  0.0 0.0 3.5
assign (resid 43 and name HN) (resid 42 and name HN)  0.0 0.0 3.5
assign (resid 51 and name HN) (resid 50 and name HN)  0.0 0.0 2.7
assign (resid 46 and name HN) (resid 45 and name HN)  0.0 0.0 2.7
assign (resid 50 and name HN) (resid 47 and name HA)  0.0 0.0 5.0
assign (resid 47 and name HN) (resid 46 and name HD*)  0.0 0.0 5.0
assign (resid 49 and name HN) (resid 45 and name HA)  0.0 0.0 5.0
assign (resid 38 and name HA) (resid 41 and name HB1)  0.0 0.0 5.0
assign (resid 45 and name HA) (resid 48 and name HB*)  0.0 0.0 3.5
assign (resid 41 and name HA) (resid 44 and name HB*)  0.0 0.0 5.0
assign (resid 42 and name HA) (resid 45 and name HB*)  0.0 0.0 3.5
assign (resid 47 and name HB*) (resid 48 and name HG*)  0.0 0.0 5.0
assign (resid 41 and name HN) (resid 40 and name HD1)  0.0 0.0 5.0
assign (resid 51 and name HN) (resid 50 and name HB2)  0.0 0.0 3.5
assign (resid 51 and name HN) (resid 50 and name HB1)  0.0 0.0 3.5
assign (resid 46 and name HN) (resid 45 and name HB2)  0.0 0.0 5.0
assign (resid 46 and name HN) (resid 45 and name HB1)  0.0 0.0 5.0
assign (resid 40 and name HN) (resid 37 and name HG12)  0.0 0.0 5.0
assign (resid 43 and name HN) (resid 42 and name HD*)  0.0 0.0 5.0
assign (resid 46 and name HN) (resid 47 and name HN)  0.0 0.0 2.7
assign (resid 48 and name HN) (resid 46 and name HN)  0.0 0.0 5.0
assign (resid 48 and name HB*) (resid 45 and name HA)  0.0 0.0 3.5
assign (resid 50 and name HB1) (resid 47 and name HA)  0.0 0.0 5.0
assign (resid 47 and name HB*) (resid 44 and name HA)  0.0 0.0 3.5
assign (resid 49 and name HB) (resid 46 and name HA)  0.0 0.0 3.5
assign (resid 47 and name HB*) (resid 46 and name HG1*)  0.0 0.0 5.0
assign (resid 48 and name HN) (resid 46 and name HA)  0.0 0.0 5.0
assign (resid 40 and name HN) (resid 39 and name HA)  0.0 0.0 3.5
assign (resid 46 and name HN) (resid 43 and name HA2)  0.0 0.0 5.0
assign (resid 49 and name HN) (resid 48 and name HB2)  0.0 0.0 5.0
assign (resid 50 and name HE*) (resid 49 and name HB)  0.0 0.0 5.0
assign (resid 47 and name HA) (resid 50 and name HB1)  0.0 0.0 5.0
assign (resid 51 and name HN) (resid 50 and name HD*)  0.0 0.0 5.0
assign (resid 49 and name HN) (resid 51 and name HN)  0.0 0.0 5.0
assign (resid 51 and name HN) (resid 48 and name HN)  0.0 0.0 5.0
assign (resid 36 and name HN) (resid 34 and name HN)  0.0 0.0 5.0
assign (resid 49 and name HN) (resid 47 and name HB*)  0.0 0.0 5.0
assign (resid 51 and name HN) (resid 52 and name HT*)  0.0 0.0 5.0
assign (resid 50 and name HN) (resid 50 and name HE*)  0.0 0.0 5.0
assign (resid 50 and name HN) (resid 50 and name HD*)  0.0 0.0 2.7
assign (resid 45 and name HN) (resid 45 and name HD1)  0.0 0.0 3.5
assign (resid 40 and name HN) (resid 40 and name HD1)  0.0 0.0 5.0
assign (resid 47 and name HN) (resid 46 and name HG2*)  0.0 0.0 5.0
assign (resid 42 and name HN) (resid 39 and name HD*)  0.0 0.0 5.0
assign (resid 44 and name HN) (resid 42 and name HB*)  0.0 0.0 5.0
assign (resid 36 and name HE) (resid 36 and name HA)  0.0 0.0 5.0
assign (resid 40 and name HD1) (resid 37 and name HA)  0.0 0.0 5.0
assign (resid 36 and name HN) (resid 35 and name HA)  0.0 0.0 3.5
assign (resid 37 and name HN) (resid 35 and name HD*)  0.0 0.0 5.0
assign (resid 36 and name HN) (resid 35 and name HB2)  0.0 0.0 5.0
assign (resid 36 and name HN) (resid 35 and name HB1)  0.0 0.0 5.0
assign (resid 45 and name HD1) (resid 46 and name HG2*)  0.0 0.0 5.0
assign (resid 50 and name HE*) (resid 50 and name HB2)  0.0 0.0 5.0
assign (resid 47 and name HE*) (resid 47 and name HB*)  0.0 0.0 5.0
assign (resid 47 and name HE*) (resid 47 and name HA)  0.0 0.0 5.0
assign (resid 52 and name HT*) (resid 51 and name HA*)  0.0 0.0 3.5
assign (resid 34 and name HA) (resid 37 and name HG11)  0.0 0.0 5.0
assign (resid 38 and name HB*) (resid 39 and name HD*)  0.0 0.0 5.0
assign (resid 44 and name HE22) (resid 44 and name HG1)  0.0 0.0 5.0
assign (resid 44 and name HE22) (resid 44 and name HG2)  0.0 0.0 5.0
assign (resid 44 and name HE21) (resid 44 and name HG2)  0.0 0.0 5.0
assign (resid 44 and name HE21) (resid 44 and name HG1)  0.0 0.0 5.0
assign (resid 45 and name HD1) (resid 44 and name HB*)  0.0 0.0 5.0
assign (resid 38 and name HE1) (resid 38 and name HZ2)  0.0 0.0 3.5
assign (resid 45 and name HN) (resid 44 and name HA)  0.0 0.0 3.5
assign (resid 45 and name HN) (resid 44 and name HB*)  0.0 0.0 3.5
assign (resid 38 and name HN) (resid 37 and name HA)  0.0 0.0 3.5
assign (resid 38 and name HN) (resid 35 and name HB2)  0.0 0.0 5.0
assign (resid 38 and name HN) (resid 37 and name HG2*)  0.0 0.0 5.0
assign (resid 38 and name HZ2) (resid 42 and name HD*)  0.0 0.0 5.0
assign (resid 41 and name HN) (resid 38 and name HA)  0.0 0.0 5.0
assign (resid 41 and name HN) (resid 40 and name HA)  0.0 0.0 5.0
assign (resid 39 and name HN) (resid 40 and name HN)  0.0 0.0 3.5
assign (resid 39 and name HN) (resid 38 and name HN)  0.0 0.0 3.5
assign (resid 40 and name HN) (resid 39 and name HB*)  0.0 0.0 5.0
assign (resid 41 and name HN) (resid 40 and name HB*)  0.0 0.0 3.5
assign (resid 43 and name HN) (resid 42 and name HB*)  0.0 0.0 3.5
assign (resid 43 and name HN) (resid 44 and name HN)  0.0 0.0 3.5
assign (resid 38 and name HE3) (resid 38 and name HB1)  0.0 0.0 5.0
assign (resid 38 and name HE3) (resid 38 and name HB2)  0.0 0.0 5.0
assign (resid 38 and name HE3) (resid 38 and name HA)  0.0 0.0 5.0
assign (resid 38 and name HE3) (resid 39 and name HA)  0.0 0.0 5.0
assign (resid 44 and name HN) (resid 43 and name HA2)  0.0 0.0 3.5
assign (resid 45 and name HN) (resid 42 and name HA)  0.0 0.0 5.0
assign (resid 39 and name HN) (resid 38 and name HB1)  0.0 0.0 5.0
assign (resid 38 and name HN) (resid 37 and name HB)  0.0 0.0 5.0
assign (resid 39 and name HN) (resid 38 and name HB2)  0.0 0.0 5.0
assign (resid 37 and name HA) (resid 40 and name HB*)  0.0 0.0 5.0
assign (resid 38 and name HA) (resid 41 and name HB2)  0.0 0.0 5.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE  33          1H        ACE  33  20.709  -0.745   5.515
    2   2H    ACE  33          2H        ACE  33  19.319   0.233   5.987
    3   3H    ACE  33          3H        ACE  33  19.753   0.081   4.285
    4    H    PHE  34           H        PHE  34  20.276  -2.761   4.353
    5    HA   PHE  34           HA       PHE  34  19.069  -4.769   4.021
    6   1HB   PHE  34          2HB       PHE  34  17.746  -3.508   6.434
    7   2HB   PHE  34          1HB       PHE  34  17.376  -5.144   5.889
    8    HD1  PHE  34           1HD      PHE  34  19.710  -3.045   7.685
    9    HD2  PHE  34           2HD      PHE  34  19.264  -6.838   5.718
   10    HE1  PHE  34           1HE      PHE  34  21.726  -3.890   8.857
   11    HE2  PHE  34           2HE      PHE  34  21.279  -7.683   6.891
   12    HZ   PHE  34           HZ       PHE  34  22.510  -6.210   8.460
   13    HA   PRO  35           HA       PRO  35  15.718  -2.174   1.985
   14   1HB   PRO  35          2HB       PRO  35  16.332  -2.874  -0.585
   15   2HB   PRO  35          1HB       PRO  35  17.036  -1.463   0.227
   16   1HG   PRO  35          2HG       PRO  35  18.192  -4.174  -0.219
   17   2HG   PRO  35          1HG       PRO  35  18.970  -2.588  -0.323
   18   1HD   PRO  35          2HD       PRO  35  19.235  -4.253   1.816
   19   2HD   PRO  35          1HD       PRO  35  19.342  -2.485   1.938
   20    H    ARG  36           H        ARG  36  16.828  -5.426   2.088
   21    HA   ARG  36           HA       ARG  36  14.901  -6.770   0.479
   22   1HB   ARG  36          2HB       ARG  36  16.958  -7.734   1.504
   23   2HB   ARG  36          1HB       ARG  36  16.193  -7.622   3.090
   24   1HG   ARG  36          2HG       ARG  36  14.371  -9.104   2.308
   25   2HG   ARG  36          1HG       ARG  36  15.156  -9.229   0.733
   26   1HD   ARG  36          2HD       ARG  36  16.445 -10.061   3.358
   27   2HD   ARG  36          1HD       ARG  36  15.703 -11.179   2.198
   28    HE   ARG  36           HE       ARG  36  17.385 -10.399   0.529
   29   1HH1  ARG  36          1HH2      ARG  36  18.363 -11.062   3.591
   30   2HH1  ARG  36          2HH2      ARG  36  19.821 -10.130   3.556
   31   1HH2  ARG  36          1HH1      ARG  36  19.046  -8.540   0.573
   32   2HH2  ARG  36          2HH1      ARG  36  20.208  -8.701   1.847
   33    H    ILE  37           H        ILE  37  14.739  -5.624   3.838
   34    HA   ILE  37           HA       ILE  37  12.218  -6.856   4.487
   35    HB   ILE  37           HB       ILE  37  12.365  -5.486   6.438
   36   1HG1  ILE  37          1HG1      ILE  37  14.221  -3.665   4.878
   37   2HG1  ILE  37          2HG1      ILE  37  12.521  -3.327   5.194
   38   1HG2  ILE  37          1HG2      ILE  37  14.640  -6.826   5.417
   39   2HG2  ILE  37          2HG2      ILE  37  14.280  -6.466   7.105
   40   3HG2  ILE  37          3HG2      ILE  37  15.231  -5.333   6.145
   41   1HD1  ILE  37          1HD1      ILE  37  14.291  -2.311   6.805
   42   2HD1  ILE  37          2HD1      ILE  37  14.417  -3.944   7.456
   43   3HD1  ILE  37          3HD1      ILE  37  12.875  -3.089   7.513
   44    H    TRP  38           H        TRP  38  12.976  -4.368   2.321
   45    HA   TRP  38           HA       TRP  38  10.870  -2.497   2.618
   46   1HB   TRP  38          2HB       TRP  38  12.847  -2.331   1.119
   47   2HB   TRP  38          1HB       TRP  38  12.163  -3.596   0.099
   48    HD1  TRP  38           HD       TRP  38  11.821   0.070   0.972
   49    HE1  TRP  38           1HE      TRP  38  10.144   1.176  -0.643
   50    HE3  TRP  38           3HE      TRP  38   9.997  -4.079  -1.381
   51    HZ2  TRP  38           2HZ      TRP  38   8.275   0.403  -2.667
   52    HZ3  TRP  38           3HZ      TRP  38   8.271  -3.865  -3.147
   53    HH2  TRP  38           HH       TRP  38   7.409  -1.633  -3.792
   54    H    LEU  39           H        LEU  39  10.863  -5.759   1.274
   55    HA   LEU  39           HA       LEU  39   8.433  -5.670  -0.202
   56   1HB   LEU  39          2HB       LEU  39  10.126  -7.488  -0.209
   57   2HB   LEU  39          1HB       LEU  39   9.648  -7.919   1.434
   58    HG   LEU  39           HG       LEU  39   7.270  -8.179   0.506
   59   1HD1  LEU  39          1HD1      LEU  39   8.884  -7.888  -2.029
   60   2HD1  LEU  39          2HD1      LEU  39   7.383  -7.075  -1.586
   61   3HD1  LEU  39          3HD1      LEU  39   7.369  -8.788  -2.005
   62   1HD2  LEU  39          1HD2      LEU  39   9.543  -9.989  -0.345
   63   2HD2  LEU  39          2HD2      LEU  39   7.846 -10.435  -0.521
   64   3HD2  LEU  39          3HD2      LEU  39   8.520 -10.147   1.084
   65    H    HIS  40           H        HIS  40   9.033  -6.065   3.261
   66    HA   HIS  40           HA       HIS  40   6.444  -6.924   4.080
   67   1HB   HIS  40          2HB       HIS  40   8.538  -5.183   5.422
   68   2HB   HIS  40          1HB       HIS  40   7.186  -5.939   6.265
   69    HD1  HIS  40           1HD      HIS  40  10.357  -6.794   4.403
   70    HD2  HIS  40           2HD      HIS  40   7.490  -8.700   6.751
   71    HE1  HIS  40           1HE      HIS  40  11.258  -9.111   4.892
   72    H    ASN  41           H        ASN  41   7.720  -3.701   3.348
   73    HA   ASN  41           HA       ASN  41   5.674  -2.073   4.416
   74   1HB   ASN  41          2HB       ASN  41   7.325  -1.864   1.878
   75   2HB   ASN  41          1HB       ASN  41   6.409  -0.526   2.572
   76   1HD2  ASN  41          1HD2      ASN  41   6.932  -1.054   5.356
   77   2HD2  ASN  41          2HD2      ASN  41   8.586  -0.797   5.641
   78    H    LEU  42           H        LEU  42   5.834  -3.742   1.272
   79    HA   LEU  42           HA       LEU  42   3.524  -2.768   0.022
   80   1HB   LEU  42          2HB       LEU  42   4.621  -5.597   0.122
   81   2HB   LEU  42          1HB       LEU  42   3.556  -4.964  -1.133
   82    HG   LEU  42           HG       LEU  42   6.370  -4.040  -0.486
   83   1HD1  LEU  42          1HD1      LEU  42   7.014  -5.256  -2.284
   84   2HD1  LEU  42          2HD1      LEU  42   5.633  -4.721  -3.241
   85   3HD1  LEU  42          3HD1      LEU  42   5.462  -6.077  -2.125
   86   1HD2  LEU  42          1HD2      LEU  42   5.825  -2.609  -2.633
   87   2HD2  LEU  42          2HD2      LEU  42   5.346  -2.021  -1.041
   88   3HD2  LEU  42          3HD2      LEU  42   4.158  -2.797  -2.089
   89    H    GLY  43           H        GLY  43   3.794  -5.246   2.555
   90   1HA   GLY  43          1HA       GLY  43   1.141  -6.229   2.490
   91   2HA   GLY  43          2HA       GLY  43   2.154  -6.204   3.932
   92    H    GLN  44           H        GLN  44   2.379  -3.178   3.647
   93    HA   GLN  44           HA       GLN  44   0.156  -2.509   5.374
   94   1HB   GLN  44          2HB       GLN  44   2.422  -1.481   5.423
   95   2HB   GLN  44          1HB       GLN  44   2.108  -0.757   3.845
   96   1HG   GLN  44          2HG       GLN  44   0.075   0.353   4.870
   97   2HG   GLN  44          1HG       GLN  44   0.643  -0.212   6.440
   98   1HE2  GLN  44          1HE2      GLN  44   1.915   1.302   7.516
   99   2HE2  GLN  44          2HE2      GLN  44   2.864   2.492   6.765
  100    H    HIS  45           H        HIS  45   0.676  -2.349   1.909
  101    HA   HIS  45           HA       HIS  45  -1.445  -0.433   1.361
  102   1HB   HIS  45          2HB       HIS  45   0.109  -2.456  -0.277
  103   2HB   HIS  45          1HB       HIS  45  -1.061  -1.343  -0.988
  104    HD1  HIS  45           1HD      HIS  45   2.328  -1.460   0.612
  105    HD2  HIS  45           2HD      HIS  45  -0.239   1.393  -1.014
  106    HE1  HIS  45           1HE      HIS  45   3.683   0.665   0.366
  107    H    ILE  46           H        ILE  46  -1.182  -3.997   1.118
  108    HA   ILE  46           HA       ILE  46  -3.904  -4.403   0.253
  109    HB   ILE  46           HB       ILE  46  -3.362  -6.721   0.611
  110   1HG1  ILE  46          2HG1      ILE  46  -1.011  -5.834   2.304
  111   2HG1  ILE  46          1HG1      ILE  46  -2.563  -6.315   2.991
  112   1HG2  ILE  46          1HG2      ILE  46  -0.580  -5.884   0.142
  113   2HG2  ILE  46          2HG2      ILE  46  -1.756  -5.019  -0.847
  114   3HG2  ILE  46          3HG2      ILE  46  -1.677  -6.780  -0.909
  115   1HD1  ILE  46          1HD1      ILE  46  -1.917  -8.331   1.139
  116   2HD1  ILE  46          2HD1      ILE  46  -1.855  -8.451   2.897
  117   3HD1  ILE  46          3HD1      ILE  46  -0.413  -7.985   1.995
  118    H    TYR  47           H        TYR  47  -2.391  -3.969   3.388
  119    HA   TYR  47           HA       TYR  47  -4.464  -5.089   5.029
  120   1HB   TYR  47          2HB       TYR  47  -2.149  -4.548   5.740
  121   2HB   TYR  47          1HB       TYR  47  -2.501  -2.831   5.543
  122    HD1  TYR  47           1HD      TYR  47  -3.950  -1.651   7.107
  123    HD2  TYR  47           2HD      TYR  47  -3.185  -5.856   7.542
  124    HE1  TYR  47           1HE      TYR  47  -4.912  -1.590   9.392
  125    HE2  TYR  47           2HE      TYR  47  -4.146  -5.794   9.828
  126    HH   TYR  47           HH       TYR  47  -5.978  -4.097  11.004
  127    H    GLU  48           H        GLU  48  -4.009  -1.900   3.567
  128    HA   GLU  48           HA       GLU  48  -6.144  -0.570   4.988
  129   1HB   GLU  48          2HB       GLU  48  -4.794  -0.077   2.312
  130   2HB   GLU  48          1HB       GLU  48  -5.845   1.083   3.123
  131   1HG   GLU  48          2HG       GLU  48  -4.325   1.105   5.067
  132   2HG   GLU  48          1HG       GLU  48  -3.276  -0.062   4.263
  133    H    THR  49           H        THR  49  -5.959  -2.520   2.052
  134    HA   THR  49           HA       THR  49  -8.474  -1.910   0.881
  135    HB   THR  49           HB       THR  49  -7.000  -4.562   1.033
  136    HG1  THR  49           1HG      THR  49  -6.717  -2.830  -1.112
  137   1HG2  THR  49          1HG2      THR  49  -9.436  -4.228   0.006
  138   2HG2  THR  49          2HG2      THR  49  -8.241  -5.254  -0.787
  139   3HG2  THR  49          3HG2      THR  49  -8.510  -3.609  -1.362
  140    H    TYR  50           H        TYR  50  -7.598  -4.113   3.520
  141    HA   TYR  50           HA       TYR  50 -10.179  -5.380   3.783
  142   1HB   TYR  50          1HB       TYR  50  -7.843  -4.924   5.665
  143   2HB   TYR  50          2HB       TYR  50  -9.204  -5.981   6.038
  144    HD1  TYR  50           1HD      TYR  50  -9.692  -7.946   4.514
  145    HD2  TYR  50           2HD      TYR  50  -6.078  -5.642   4.245
  146    HE1  TYR  50           1HE      TYR  50  -8.615  -9.784   3.242
  147    HE2  TYR  50           2HE      TYR  50  -5.001  -7.477   2.974
  148    HH   TYR  50           HH       TYR  50  -6.814 -10.216   1.806
  149    H    GLY  51           H        GLY  51  -8.646  -2.580   5.378
  150   1HA   GLY  51          1HA       GLY  51 -11.068  -2.057   6.966
  151   2HA   GLY  51          2HA       GLY  51  -9.584  -1.104   6.997
  152   1HN   NH2  52          1H        GLY  51 -12.536  -1.703   5.061
  153   2HN   NH2  52          2H        GLY  51 -12.501  -0.213   4.250
  Start of MODEL    2
    1   1H    ACE  33          1H        ACE  33  21.019  -0.200   7.108
    2   2H    ACE  33          2H        ACE  33  19.600  -0.222   8.156
    3   3H    ACE  33          3H        ACE  33  19.461   0.354   6.495
    4    H    PHE  34           H        PHE  34  17.677  -1.487   6.882
    5    HA   PHE  34           HA       PHE  34  18.861  -4.028   5.813
    6   1HB   PHE  34          2HB       PHE  34  16.714  -3.559   7.900
    7   2HB   PHE  34          1HB       PHE  34  17.006  -5.132   7.160
    8    HD1  PHE  34           1HD      PHE  34  18.799  -2.359   8.935
    9    HD2  PHE  34           2HD      PHE  34  18.619  -6.564   8.076
   10    HE1  PHE  34           1HE      PHE  34  20.659  -2.764  10.525
   11    HE2  PHE  34           2HE      PHE  34  20.477  -6.969   9.666
   12    HZ   PHE  34           HZ       PHE  34  21.498  -5.069  10.891
   13    HA   PRO  35           HA       PRO  35  15.671  -1.977   2.999
   14   1HB   PRO  35          2HB       PRO  35  16.771  -3.087   0.754
   15   2HB   PRO  35          1HB       PRO  35  17.290  -1.527   1.417
   16   1HG   PRO  35          2HG       PRO  35  18.542  -4.218   1.683
   17   2HG   PRO  35          1HG       PRO  35  19.306  -2.639   1.449
   18   1HD   PRO  35          2HD       PRO  35  19.175  -3.901   3.860
   19   2HD   PRO  35          1HD       PRO  35  19.236  -2.135   3.683
   20    H    ARG  36           H        ARG  36  16.925  -5.191   3.590
   21    HA   ARG  36           HA       ARG  36  15.234  -6.800   2.013
   22   1HB   ARG  36          2HB       ARG  36  16.289  -7.164   4.834
   23   2HB   ARG  36          1HB       ARG  36  15.642  -8.467   3.837
   24   1HG   ARG  36          2HG       ARG  36  17.366  -7.924   2.102
   25   2HG   ARG  36          1HG       ARG  36  18.055  -6.740   3.213
   26   1HD   ARG  36          2HD       ARG  36  17.778  -9.721   3.754
   27   2HD   ARG  36          1HD       ARG  36  19.289  -8.860   3.407
   28    HE   ARG  36           HE       ARG  36  17.639  -8.536   5.871
   29   1HH1  ARG  36          1HH2      ARG  36  19.053  -6.033   4.740
   30   2HH1  ARG  36          2HH2      ARG  36  20.506  -6.043   5.682
   31   1HH2  ARG  36          1HH1      ARG  36  20.098  -9.312   6.762
   32   2HH2  ARG  36          2HH1      ARG  36  21.100  -7.900   6.825
   33    H    ILE  37           H        ILE  37  14.522  -5.074   5.018
   34    HA   ILE  37           HA       ILE  37  11.957  -6.406   5.443
   35    HB   ILE  37           HB       ILE  37  11.819  -4.942   7.320
   36   1HG1  ILE  37          1HG1      ILE  37  13.924  -3.183   6.032
   37   2HG1  ILE  37          2HG1      ILE  37  12.195  -2.855   5.940
   38   1HG2  ILE  37          1HG2      ILE  37  13.885  -5.312   8.398
   39   2HG2  ILE  37          2HG2      ILE  37  14.801  -5.106   6.906
   40   3HG2  ILE  37          3HG2      ILE  37  13.838  -6.562   7.154
   41   1HD1  ILE  37          1HD1      ILE  37  12.727  -1.619   7.822
   42   2HD1  ILE  37          2HD1      ILE  37  14.033  -2.706   8.294
   43   3HD1  ILE  37          3HD1      ILE  37  12.355  -3.168   8.578
   44    H    TRP  38           H        TRP  38  12.961  -4.172   3.167
   45    HA   TRP  38           HA       TRP  38  10.839  -2.253   3.121
   46   1HB   TRP  38          2HB       TRP  38  13.029  -2.167   1.913
   47   2HB   TRP  38          1HB       TRP  38  12.451  -3.442   0.842
   48    HD1  TRP  38           HD       TRP  38  12.269   0.250   1.440
   49    HE1  TRP  38           1HE      TRP  38  10.772   1.352  -0.346
   50    HE3  TRP  38           3HE      TRP  38  10.228  -3.918  -0.691
   51    HZ2  TRP  38           2HZ      TRP  38   8.952   0.567  -2.409
   52    HZ3  TRP  38           3HZ      TRP  38   8.617  -3.712  -2.564
   53    HH2  TRP  38           HH       TRP  38   7.977  -1.477  -3.424
   54    H    LEU  39           H        LEU  39  11.092  -5.540   1.824
   55    HA   LEU  39           HA       LEU  39   8.852  -5.530   0.076
   56   1HB   LEU  39          2HB       LEU  39  10.607  -7.282   0.284
   57   2HB   LEU  39          1HB       LEU  39   9.933  -7.746   1.845
   58    HG   LEU  39           HG       LEU  39   7.713  -8.098   0.620
   59   1HD1  LEU  39          1HD1      LEU  39   7.965  -6.991  -1.433
   60   2HD1  LEU  39          2HD1      LEU  39   8.217  -8.678  -1.881
   61   3HD1  LEU  39          3HD1      LEU  39   9.601  -7.604  -1.672
   62   1HD2  LEU  39          1HD2      LEU  39   8.482 -10.192   1.015
   63   2HD2  LEU  39          2HD2      LEU  39  10.141  -9.738   0.625
   64   3HD2  LEU  39          3HD2      LEU  39   9.021 -10.180  -0.664
   65    H    HIS  40           H        HIS  40   9.037  -5.850   3.586
   66    HA   HIS  40           HA       HIS  40   6.405  -6.845   4.079
   67   1HB   HIS  40          2HB       HIS  40   8.270  -5.054   5.666
   68   2HB   HIS  40          1HB       HIS  40   6.839  -5.834   6.342
   69    HD1  HIS  40           1HD      HIS  40  10.212  -6.648   4.842
   70    HD2  HIS  40           2HD      HIS  40   7.142  -8.575   6.899
   71    HE1  HIS  40           1HE      HIS  40  11.091  -8.944   5.453
   72    H    ASN  41           H        ASN  41   7.587  -3.610   3.343
   73    HA   ASN  41           HA       ASN  41   5.452  -2.010   4.268
   74   1HB   ASN  41          2HB       ASN  41   7.203  -1.859   1.797
   75   2HB   ASN  41          1HB       ASN  41   6.198  -0.527   2.365
   76   1HD2  ASN  41          1HD2      ASN  41   6.571  -0.740   5.164
   77   2HD2  ASN  41          2HD2      ASN  41   8.203  -0.452   5.533
   78    H    LEU  42           H        LEU  42   5.763  -3.808   1.204
   79    HA   LEU  42           HA       LEU  42   3.457  -2.942  -0.143
   80   1HB   LEU  42          1HB       LEU  42   4.644  -5.729   0.055
   81   2HB   LEU  42          2HB       LEU  42   3.611  -5.148  -1.251
   82    HG   LEU  42           HG       LEU  42   6.374  -4.140  -0.517
   83   1HD1  LEU  42          1HD1      LEU  42   5.669  -6.247  -2.094
   84   2HD1  LEU  42          2HD1      LEU  42   7.114  -5.270  -2.357
   85   3HD1  LEU  42          3HD1      LEU  42   5.645  -4.937  -3.273
   86   1HD2  LEU  42          1HD2      LEU  42   5.226  -2.170  -1.108
   87   2HD2  LEU  42          2HD2      LEU  42   4.223  -3.003  -2.296
   88   3HD2  LEU  42          3HD2      LEU  42   5.927  -2.702  -2.636
   89    H    GLY  43           H        GLY  43   3.750  -5.317   2.479
   90   1HA   GLY  43          1HA       GLY  43   1.105  -6.368   2.350
   91   2HA   GLY  43          2HA       GLY  43   2.111  -6.354   3.798
   92    H    GLN  44           H        GLN  44   2.286  -3.299   3.462
   93    HA   GLN  44           HA       GLN  44   0.033  -2.682   5.199
   94   1HB   GLN  44          2HB       GLN  44   2.283  -1.659   5.369
   95   2HB   GLN  44          1HB       GLN  44   2.059  -0.922   3.782
   96   1HG   GLN  44          2HG       GLN  44   0.045   0.264   4.661
   97   2HG   GLN  44          1HG       GLN  44   0.381  -0.408   6.257
   98   1HE2  GLN  44          1HE2      GLN  44   0.395   2.330   6.151
   99   2HE2  GLN  44          2HE2      GLN  44   1.980   2.938   6.191
  100    H    HIS  45           H        HIS  45   0.680  -2.418   1.762
  101    HA   HIS  45           HA       HIS  45  -1.372  -0.469   1.153
  102   1HB   HIS  45          2HB       HIS  45   0.077  -2.605  -0.441
  103   2HB   HIS  45          1HB       HIS  45  -0.990  -1.405  -1.171
  104    HD1  HIS  45           1HD      HIS  45   2.291  -1.716   0.672
  105    HD2  HIS  45           2HD      HIS  45   0.106   1.191  -1.367
  106    HE1  HIS  45           1HE      HIS  45   3.831   0.276   0.397
  107    H    ILE  46           H        ILE  46  -1.270  -4.045   1.014
  108    HA   ILE  46           HA       ILE  46  -4.039  -4.293   0.159
  109    HB   ILE  46           HB       ILE  46  -3.580  -6.641   0.374
  110   1HG1  ILE  46          2HG1      ILE  46  -1.160  -5.922   2.052
  111   2HG1  ILE  46          1HG1      ILE  46  -2.704  -6.423   2.739
  112   1HG2  ILE  46          1HG2      ILE  46  -1.803  -6.785  -1.088
  113   2HG2  ILE  46          2HG2      ILE  46  -0.796  -5.695  -0.136
  114   3HG2  ILE  46          3HG2      ILE  46  -2.072  -5.044  -1.163
  115   1HD1  ILE  46          1HD1      ILE  46  -0.603  -8.071   1.678
  116   2HD1  ILE  46          2HD1      ILE  46  -2.053  -8.294   0.698
  117   3HD1  ILE  46          3HD1      ILE  46  -2.113  -8.573   2.439
  118    H    TYR  47           H        TYR  47  -2.386  -4.050   3.235
  119    HA   TYR  47           HA       TYR  47  -4.382  -5.190   4.941
  120   1HB   TYR  47          2HB       TYR  47  -1.999  -4.626   5.489
  121   2HB   TYR  47          1HB       TYR  47  -2.442  -2.918   5.465
  122    HD1  TYR  47           1HD      TYR  47  -2.923  -6.145   7.208
  123    HD2  TYR  47           2HD      TYR  47  -3.747  -1.930   7.251
  124    HE1  TYR  47           1HE      TYR  47  -3.720  -6.324   9.549
  125    HE2  TYR  47           2HE      TYR  47  -4.541  -2.109   9.594
  126    HH   TYR  47           HH       TYR  47  -3.874  -4.189  11.606
  127    H    GLU  48           H        GLU  48  -3.839  -1.847   3.848
  128    HA   GLU  48           HA       GLU  48  -5.954  -0.601   5.294
  129   1HB   GLU  48          2HB       GLU  48  -3.939   0.254   3.793
  130   2HB   GLU  48          1HB       GLU  48  -5.168   0.253   2.528
  131   1HG   GLU  48          2HG       GLU  48  -6.634   1.599   4.107
  132   2HG   GLU  48          1HG       GLU  48  -5.223   1.768   5.149
  133    H    THR  49           H        THR  49  -5.912  -2.335   2.206
  134    HA   THR  49           HA       THR  49  -8.452  -1.603   1.188
  135    HB   THR  49           HB       THR  49  -7.073  -4.308   1.093
  136    HG1  THR  49           1HG      THR  49  -6.323  -3.187  -0.963
  137   1HG2  THR  49          1HG2      THR  49  -9.389  -4.207   0.175
  138   2HG2  THR  49          2HG2      THR  49  -8.181  -4.527  -1.069
  139   3HG2  THR  49          3HG2      THR  49  -8.874  -2.913  -0.907
  140    H    TYR  50           H        TYR  50  -7.544  -3.976   3.661
  141    HA   TYR  50           HA       TYR  50 -10.154  -5.202   3.907
  142   1HB   TYR  50          1HB       TYR  50  -7.773  -4.945   5.771
  143   2HB   TYR  50          2HB       TYR  50  -9.144  -6.012   6.067
  144    HD1  TYR  50           1HD      TYR  50  -9.650  -7.868   4.444
  145    HD2  TYR  50           2HD      TYR  50  -6.061  -5.523   4.216
  146    HE1  TYR  50           1HE      TYR  50  -8.609  -9.601   3.005
  147    HE2  TYR  50           2HE      TYR  50  -5.019  -7.253   2.778
  148    HH   TYR  50           HH       TYR  50  -5.641  -9.055   1.331
  149    H    GLY  51           H        GLY  51  -8.478  -2.599   5.692
  150   1HA   GLY  51          2HA       GLY  51 -10.944  -2.077   7.253
  151   2HA   GLY  51          1HA       GLY  51  -9.373  -1.324   7.527
  152   1HN   NH2  52          1H        GLY  51  -8.728   0.433   6.016
  153   2HN   NH2  52          2H        GLY  51  -9.911   1.286   5.150
  Start of MODEL    3
    1   1H    ACE  33          1H        ACE  33  16.785  -2.773   8.145
    2   2H    ACE  33          2H        ACE  33  18.446  -2.332   8.541
    3   3H    ACE  33          3H        ACE  33  17.849  -3.948   8.916
    4    H    PHE  34           H        PHE  34  16.673  -4.801   6.645
    5    HA   PHE  34           HA       PHE  34  18.799  -4.534   4.542
    6   1HB   PHE  34          2HB       PHE  34  17.166  -7.004   5.179
    7   2HB   PHE  34          1HB       PHE  34  18.648  -6.906   4.228
    8    HD1  PHE  34           1HD      PHE  34  17.251  -7.371   7.507
    9    HD2  PHE  34           2HD      PHE  34  20.794  -6.135   5.417
   10    HE1  PHE  34           1HE      PHE  34  18.592  -7.742   9.560
   11    HE2  PHE  34           2HE      PHE  34  22.135  -6.506   7.470
   12    HZ   PHE  34           HZ       PHE  34  21.033  -7.309   9.542
   13    HA   PRO  35           HA       PRO  35  15.707  -3.430   1.650
   14   1HB   PRO  35          2HB       PRO  35  16.204  -5.093  -0.464
   15   2HB   PRO  35          1HB       PRO  35  17.200  -3.671  -0.099
   16   1HG   PRO  35          2HG       PRO  35  17.691  -6.547   0.520
   17   2HG   PRO  35          1HG       PRO  35  18.822  -5.308  -0.045
   18   1HD   PRO  35          2HD       PRO  35  18.668  -6.107   2.547
   19   2HD   PRO  35          1HD       PRO  35  19.150  -4.467   2.068
   20    H    ARG  36           H        ARG  36  16.100  -6.708   2.752
   21    HA   ARG  36           HA       ARG  36  13.901  -8.027   1.569
   22   1HB   ARG  36          2HB       ARG  36  15.092  -8.197   4.354
   23   2HB   ARG  36          1HB       ARG  36  14.018  -9.410   3.659
   24   1HG   ARG  36          2HG       ARG  36  15.636  -9.703   1.778
   25   2HG   ARG  36          1HG       ARG  36  16.729  -8.578   2.584
   26   1HD   ARG  36          2HD       ARG  36  16.679 -10.108   4.604
   27   2HD   ARG  36          1HD       ARG  36  15.789 -11.278   3.611
   28    HE   ARG  36           HE       ARG  36  17.990 -10.518   2.055
   29   1HH1  ARG  36          1HH2      ARG  36  17.483 -13.316   3.128
   30   2HH1  ARG  36          2HH2      ARG  36  18.930 -13.598   4.037
   31   1HH2  ARG  36          1HH1      ARG  36  19.853 -10.257   4.110
   32   2HH2  ARG  36          2HH1      ARG  36  20.273 -11.866   4.593
   33    H    ILE  37           H        ILE  37  13.994  -5.740   4.267
   34    HA   ILE  37           HA       ILE  37  11.297  -6.153   5.185
   35    HB   ILE  37           HB       ILE  37  11.730  -4.187   6.475
   36   1HG1  ILE  37          1HG1      ILE  37  13.905  -3.483   4.483
   37   2HG1  ILE  37          2HG1      ILE  37  12.300  -2.755   4.500
   38   1HG2  ILE  37          1HG2      ILE  37  14.568  -4.993   6.043
   39   2HG2  ILE  37          2HG2      ILE  37  13.435  -6.260   6.510
   40   3HG2  ILE  37          3HG2      ILE  37  13.657  -4.850   7.546
   41   1HD1  ILE  37          1HD1      ILE  37  14.324  -2.669   6.759
   42   2HD1  ILE  37          2HD1      ILE  37  12.696  -1.995   6.834
   43   3HD1  ILE  37          3HD1      ILE  37  13.879  -1.321   5.712
   44    H    TRP  38           H        TRP  38  12.613  -4.514   2.421
   45    HA   TRP  38           HA       TRP  38  10.701  -2.501   1.909
   46   1HB   TRP  38          1HB       TRP  38  12.844  -3.099   0.673
   47   2HB   TRP  38          2HB       TRP  38  11.935  -4.387  -0.118
   48    HD1  TRP  38           HD       TRP  38  12.362  -0.624  -0.036
   49    HE1  TRP  38           1HE      TRP  38  11.036   0.423  -1.983
   50    HE3  TRP  38           3HE      TRP  38   9.791  -4.727  -1.662
   51    HZ2  TRP  38           2HZ      TRP  38   9.137  -0.374  -3.969
   52    HZ3  TRP  38           3HZ      TRP  38   8.232  -4.555  -3.581
   53    HH2  TRP  38           HH       TRP  38   7.902  -2.386  -4.735
   54    H    LEU  39           H        LEU  39  10.573  -5.987   1.131
   55    HA   LEU  39           HA       LEU  39   8.075  -5.953  -0.262
   56   1HB   LEU  39          2HB       LEU  39   9.358  -8.100   1.462
   57   2HB   LEU  39          1HB       LEU  39   8.136  -8.374   0.221
   58    HG   LEU  39           HG       LEU  39  10.898  -7.204  -0.247
   59   1HD1  LEU  39          1HD1      LEU  39  10.970  -9.609   0.225
   60   2HD1  LEU  39          2HD1      LEU  39  11.267  -9.328  -1.491
   61   3HD1  LEU  39          3HD1      LEU  39   9.687  -9.896  -0.951
   62   1HD2  LEU  39          1HD2      LEU  39  10.105  -6.485  -2.227
   63   2HD2  LEU  39          2HD2      LEU  39   8.488  -7.003  -1.754
   64   3HD2  LEU  39          3HD2      LEU  39   9.555  -8.115  -2.612
   65    H    HIS  40           H        HIS  40   8.888  -6.103   3.170
   66    HA   HIS  40           HA       HIS  40   6.329  -6.828   4.210
   67   1HB   HIS  40          2HB       HIS  40   8.457  -6.807   5.465
   68   2HB   HIS  40          1HB       HIS  40   8.530  -5.051   5.320
   69    HD1  HIS  40           1HD      HIS  40   7.353  -3.728   7.094
   70    HD2  HIS  40           2HD      HIS  40   6.082  -7.698   7.022
   71    HE1  HIS  40           1HE      HIS  40   5.804  -4.020   9.077
   72    H    ASN  41           H        ASN  41   7.746  -3.661   3.404
   73    HA   ASN  41           HA       ASN  41   5.750  -1.932   4.384
   74   1HB   ASN  41          2HB       ASN  41   8.035  -1.566   3.167
   75   2HB   ASN  41          1HB       ASN  41   7.068  -1.585   1.695
   76   1HD2  ASN  41          1HD2      ASN  41   8.155   0.817   1.967
   77   2HD2  ASN  41          2HD2      ASN  41   7.103   1.959   2.653
   78    H    LEU  42           H        LEU  42   5.889  -3.658   1.268
   79    HA   LEU  42           HA       LEU  42   3.566  -2.601   0.052
   80   1HB   LEU  42          2HB       LEU  42   4.691  -5.421  -0.026
   81   2HB   LEU  42          1HB       LEU  42   3.634  -4.706  -1.241
   82    HG   LEU  42           HG       LEU  42   6.431  -3.793  -0.512
   83   1HD1  LEU  42          1HD1      LEU  42   5.381  -5.656  -2.424
   84   2HD1  LEU  42          2HD1      LEU  42   7.058  -5.171  -2.175
   85   3HD1  LEU  42          3HD1      LEU  42   6.035  -4.266  -3.291
   86   1HD2  LEU  42          1HD2      LEU  42   5.996  -2.221  -2.505
   87   2HD2  LEU  42          2HD2      LEU  42   5.226  -1.799  -0.976
   88   3HD2  LEU  42          3HD2      LEU  42   4.286  -2.571  -2.254
   89    H    GLY  43           H        GLY  43   3.903  -5.090   2.541
   90   1HA   GLY  43          1HA       GLY  43   1.276  -6.176   2.418
   91   2HA   GLY  43          2HA       GLY  43   2.292  -6.170   3.859
   92    H    GLN  44           H        GLN  44   2.465  -3.162   3.748
   93    HA   GLN  44           HA       GLN  44   0.224  -2.588   5.466
   94   1HB   GLN  44          2HB       GLN  44   2.481  -1.512   5.510
   95   2HB   GLN  44          1HB       GLN  44   2.100  -0.722   3.978
   96   1HG   GLN  44          2HG       GLN  44   0.135   0.357   5.050
   97   2HG   GLN  44          1HG       GLN  44   0.579  -0.392   6.583
   98   1HE2  GLN  44          1HE2      GLN  44   0.521   2.344   6.651
   99   2HE2  GLN  44          2HE2      GLN  44   2.088   2.995   6.627
  100    H    HIS  45           H        HIS  45   0.763  -2.258   2.009
  101    HA   HIS  45           HA       HIS  45  -1.411  -0.405   1.504
  102   1HB   HIS  45          2HB       HIS  45   0.109  -2.397  -0.213
  103   2HB   HIS  45          1HB       HIS  45  -0.999  -1.184  -0.856
  104    HD1  HIS  45           1HD      HIS  45   2.312  -1.517   0.928
  105    HD2  HIS  45           2HD      HIS  45   0.024   1.449  -0.902
  106    HE1  HIS  45           1HE      HIS  45   3.792   0.534   0.767
  107    H    ILE  46           H        ILE  46  -1.087  -3.962   1.237
  108    HA   ILE  46           HA       ILE  46  -3.755  -4.449   0.308
  109    HB   ILE  46           HB       ILE  46  -1.980  -6.088   0.110
  110   1HG1  ILE  46          2HG1      ILE  46  -3.798  -7.217   2.234
  111   2HG1  ILE  46          1HG1      ILE  46  -4.415  -6.800   0.635
  112   1HG2  ILE  46          1HG2      ILE  46  -0.560  -5.591   1.956
  113   2HG2  ILE  46          2HG2      ILE  46  -1.177  -7.210   2.279
  114   3HG2  ILE  46          3HG2      ILE  46  -1.865  -5.822   3.119
  115   1HD1  ILE  46          1HD1      ILE  46  -2.873  -9.115   1.445
  116   2HD1  ILE  46          2HD1      ILE  46  -2.028  -8.229   0.177
  117   3HD1  ILE  46          3HD1      ILE  46  -3.674  -8.803  -0.094
  118    H    TYR  47           H        TYR  47  -2.380  -4.090   3.555
  119    HA   TYR  47           HA       TYR  47  -4.541  -5.079   5.100
  120   1HB   TYR  47          2HB       TYR  47  -2.277  -4.440   5.907
  121   2HB   TYR  47          1HB       TYR  47  -2.677  -2.744   5.633
  122    HD1  TYR  47           1HD      TYR  47  -3.422  -5.738   7.671
  123    HD2  TYR  47           2HD      TYR  47  -4.194  -1.552   7.095
  124    HE1  TYR  47           1HE      TYR  47  -4.514  -5.633   9.895
  125    HE2  TYR  47           2HE      TYR  47  -5.285  -1.447   9.320
  126    HH   TYR  47           HH       TYR  47  -6.231  -2.771  10.963
  127    H    GLU  48           H        GLU  48  -4.001  -1.857   3.704
  128    HA   GLU  48           HA       GLU  48  -6.249  -0.538   4.870
  129   1HB   GLU  48          2HB       GLU  48  -4.770  -0.178   2.243
  130   2HB   GLU  48          1HB       GLU  48  -5.899   1.002   2.909
  131   1HG   GLU  48          2HG       GLU  48  -4.500   1.142   4.962
  132   2HG   GLU  48          1HG       GLU  48  -3.349   0.022   4.231
  133    H    THR  49           H        THR  49  -5.916  -2.554   1.968
  134    HA   THR  49           HA       THR  49  -8.429  -2.045   0.748
  135    HB   THR  49           HB       THR  49  -6.865  -4.642   0.947
  136    HG1  THR  49           1HG      THR  49  -6.533  -2.277  -0.521
  137   1HG2  THR  49          1HG2      THR  49  -8.635  -5.373  -0.270
  138   2HG2  THR  49          2HG2      THR  49  -7.900  -4.459  -1.587
  139   3HG2  THR  49          3HG2      THR  49  -9.186  -3.735  -0.621
  140    H    TYR  50           H        TYR  50  -7.527  -4.202   3.417
  141    HA   TYR  50           HA       TYR  50 -10.036  -5.587   3.648
  142   1HB   TYR  50          1HB       TYR  50  -7.831  -4.900   5.618
  143   2HB   TYR  50          2HB       TYR  50  -9.130  -6.038   5.962
  144    HD1  TYR  50           1HD      TYR  50  -6.530  -7.139   6.211
  145    HD2  TYR  50           2HD      TYR  50  -8.789  -6.503   2.610
  146    HE1  TYR  50           1HE      TYR  50  -5.247  -8.938   5.087
  147    HE2  TYR  50           2HE      TYR  50  -7.505  -8.304   1.489
  148    HH   TYR  50           HH       TYR  50  -4.648  -9.609   2.795
  149    H    GLY  51           H        GLY  51  -8.757  -2.630   5.177
  150   1HA   GLY  51          1HA       GLY  51 -11.501  -1.672   5.624
  151   2HA   GLY  51          2HA       GLY  51 -10.578  -1.982   7.094
  152   1HN   NH2  52          1H        GLY  51 -11.524   0.629   5.685
  153   2HN   NH2  52          2H        GLY  51 -10.117   1.578   5.628
  Start of MODEL    4
    1   1H    ACE  33          1H        ACE  33  18.623  -2.661   7.357
    2   2H    ACE  33          2H        ACE  33  17.059  -3.470   7.457
    3   3H    ACE  33          3H        ACE  33  17.161  -1.822   6.839
    4    H    PHE  34           H        PHE  34  17.848  -5.203   6.104
    5    HA   PHE  34           HA       PHE  34  18.955  -4.762   3.473
    6   1HB   PHE  34          2HB       PHE  34  18.095  -6.941   5.225
    7   2HB   PHE  34          1HB       PHE  34  17.752  -7.277   3.529
    8    HD1  PHE  34           1HD      PHE  34  19.434  -8.378   2.360
    9    HD2  PHE  34           2HD      PHE  34  20.507  -5.688   5.534
   10    HE1  PHE  34           1HE      PHE  34  21.832  -8.881   1.977
   11    HE2  PHE  34           2HE      PHE  34  22.904  -6.192   5.150
   12    HZ   PHE  34           HZ       PHE  34  23.567  -7.789   3.372
   13    HA   PRO  35           HA       PRO  35  15.412  -3.568   1.168
   14   1HB   PRO  35          2HB       PRO  35  15.789  -5.010  -1.124
   15   2HB   PRO  35          1HB       PRO  35  16.696  -3.531  -0.751
   16   1HG   PRO  35          2HG       PRO  35  17.510  -6.384  -0.467
   17   2HG   PRO  35          1HG       PRO  35  18.454  -4.993  -1.020
   18   1HD   PRO  35          2HD       PRO  35  18.650  -6.045   1.486
   19   2HD   PRO  35          1HD       PRO  35  18.972  -4.339   1.114
   20    H    ARG  36           H        ARG  36  16.227  -6.885   1.887
   21    HA   ARG  36           HA       ARG  36  14.021  -8.303   0.863
   22   1HB   ARG  36          2HB       ARG  36  15.564  -8.580   3.460
   23   2HB   ARG  36          1HB       ARG  36  14.509  -9.830   2.799
   24   1HG   ARG  36          2HG       ARG  36  15.890  -9.792   0.700
   25   2HG   ARG  36          1HG       ARG  36  16.999  -8.680   1.504
   26   1HD   ARG  36          2HD       ARG  36  16.315 -11.497   2.427
   27   2HD   ARG  36          1HD       ARG  36  17.860 -10.962   1.740
   28    HE   ARG  36           HE       ARG  36  17.561  -9.202   3.792
   29   1HH1  ARG  36          1HH2      ARG  36  15.922 -12.038   4.250
   30   2HH1  ARG  36          2HH2      ARG  36  16.847 -12.586   5.608
   31   1HH2  ARG  36          1HH1      ARG  36  19.288 -10.146   5.270
   32   2HH2  ARG  36          2HH1      ARG  36  18.752 -11.516   6.185
   33    H    ILE  37           H        ILE  37  14.244  -6.317   3.798
   34    HA   ILE  37           HA       ILE  37  11.627  -7.050   4.816
   35    HB   ILE  37           HB       ILE  37  12.110  -5.402   6.466
   36   1HG1  ILE  37          1HG1      ILE  37  14.110  -4.168   4.550
   37   2HG1  ILE  37          2HG1      ILE  37  12.475  -3.557   4.799
   38   1HG2  ILE  37          1HG2      ILE  37  13.921  -6.499   7.223
   39   2HG2  ILE  37          2HG2      ILE  37  14.943  -5.723   6.013
   40   3HG2  ILE  37          3HG2      ILE  37  14.099  -7.223   5.624
   41   1HD1  ILE  37          1HD1      ILE  37  14.590  -2.669   6.223
   42   2HD1  ILE  37          2HD1      ILE  37  14.102  -4.021   7.245
   43   3HD1  ILE  37          3HD1      ILE  37  12.956  -2.730   6.884
   44    H    TRP  38           H        TRP  38  12.657  -5.054   2.245
   45    HA   TRP  38           HA       TRP  38  10.783  -2.922   2.275
   46   1HB   TRP  38          2HB       TRP  38  12.744  -3.174   0.777
   47   2HB   TRP  38          1HB       TRP  38  11.931  -4.502  -0.049
   48    HD1  TRP  38           HD       TRP  38  11.886  -0.721   0.335
   49    HE1  TRP  38           1HE      TRP  38  10.343   0.287  -1.467
   50    HE3  TRP  38           3HE      TRP  38   9.817  -4.994  -1.547
   51    HZ2  TRP  38           2HZ      TRP  38   8.479  -0.600  -3.447
   52    HZ3  TRP  38           3HZ      TRP  38   8.162  -4.884  -3.387
   53    HH2  TRP  38           HH       TRP  38   7.492  -2.695  -4.340
   54    H    LEU  39           H        LEU  39  10.445  -6.288   1.198
   55    HA   LEU  39           HA       LEU  39   7.984  -6.112  -0.189
   56   1HB   LEU  39          2HB       LEU  39   9.512  -8.076  -0.033
   57   2HB   LEU  39          1HB       LEU  39   9.008  -8.306   1.642
   58    HG   LEU  39           HG       LEU  39   6.616  -8.448   0.764
   59   1HD1  LEU  39          1HD1      LEU  39   7.644  -9.261  -1.885
   60   2HD1  LEU  39          2HD1      LEU  39   7.721  -7.528  -1.563
   61   3HD1  LEU  39          3HD1      LEU  39   6.177  -8.374  -1.471
   62   1HD2  LEU  39          1HD2      LEU  39   7.134 -10.606   1.199
   63   2HD2  LEU  39          2HD2      LEU  39   8.785 -10.396   0.616
   64   3HD2  LEU  39          3HD2      LEU  39   7.490 -10.766  -0.522
   65    H    HIS  40           H        HIS  40   8.640  -6.339   3.288
   66    HA   HIS  40           HA       HIS  40   5.982  -6.783   4.205
   67   1HB   HIS  40          2HB       HIS  40   8.401  -5.364   5.349
   68   2HB   HIS  40          1HB       HIS  40   6.939  -5.657   6.291
   69    HD1  HIS  40           1HD      HIS  40   9.810  -7.445   4.641
   70    HD2  HIS  40           2HD      HIS  40   6.524  -8.361   7.036
   71    HE1  HIS  40           1HE      HIS  40  10.121  -9.843   5.395
   72    H    ASN  41           H        ASN  41   7.715  -3.787   3.382
   73    HA   ASN  41           HA       ASN  41   5.897  -1.850   4.314
   74   1HB   ASN  41          2HB       ASN  41   7.584  -2.007   1.794
   75   2HB   ASN  41          1HB       ASN  41   6.824  -0.524   2.368
   76   1HD2  ASN  41          1HD2      ASN  41   9.692  -0.814   2.178
   77   2HD2  ASN  41          2HD2      ASN  41  10.327  -0.768   3.751
   78    H    LEU  42           H        LEU  42   5.827  -3.716   1.280
   79    HA   LEU  42           HA       LEU  42   3.543  -2.458   0.106
   80   1HB   LEU  42          2HB       LEU  42   5.214  -3.944  -1.006
   81   2HB   LEU  42          1HB       LEU  42   4.548  -5.314  -0.118
   82    HG   LEU  42           HG       LEU  42   2.279  -4.654  -1.135
   83   1HD1  LEU  42          1HD1      LEU  42   2.183  -2.860  -2.494
   84   2HD1  LEU  42          2HD1      LEU  42   3.482  -3.507  -3.497
   85   3HD1  LEU  42          3HD1      LEU  42   3.866  -2.515  -2.090
   86   1HD2  LEU  42          1HD2      LEU  42   3.032  -5.645  -3.429
   87   2HD2  LEU  42          2HD2      LEU  42   3.241  -6.628  -1.980
   88   3HD2  LEU  42          3HD2      LEU  42   4.619  -5.771  -2.671
   89    H    GLY  43           H        GLY  43   3.859  -4.924   2.592
   90   1HA   GLY  43          1HA       GLY  43   1.235  -6.035   2.450
   91   2HA   GLY  43          2HA       GLY  43   2.238  -6.003   3.902
   92    H    GLN  44           H        GLN  44   2.442  -3.025   3.769
   93    HA   GLN  44           HA       GLN  44   0.202  -2.368   5.445
   94   1HB   GLN  44          2HB       GLN  44   2.250  -0.723   3.928
   95   2HB   GLN  44          1HB       GLN  44   1.152  -0.047   5.131
   96   1HG   GLN  44          2HG       GLN  44   2.061  -1.597   6.828
   97   2HG   GLN  44          1HG       GLN  44   3.162  -2.267   5.625
   98   1HE2  GLN  44          1HE2      GLN  44   4.164  -1.006   7.991
   99   2HE2  GLN  44          2HE2      GLN  44   4.947   0.432   7.545
  100    H    HIS  45           H        HIS  45   0.722  -2.201   1.982
  101    HA   HIS  45           HA       HIS  45  -1.466  -0.343   1.445
  102   1HB   HIS  45          2HB       HIS  45   0.172  -2.266  -0.236
  103   2HB   HIS  45          1HB       HIS  45  -0.985  -1.120  -0.913
  104    HD1  HIS  45           1HD      HIS  45   2.310  -1.262   0.924
  105    HD2  HIS  45           2HD      HIS  45  -0.109   1.565  -0.956
  106    HE1  HIS  45           1HE      HIS  45   3.681   0.862   0.766
  107    H    ILE  46           H        ILE  46  -1.029  -3.887   1.155
  108    HA   ILE  46           HA       ILE  46  -3.709  -4.393   0.210
  109    HB   ILE  46           HB       ILE  46  -3.071  -6.688   0.500
  110   1HG1  ILE  46          2HG1      ILE  46  -0.819  -5.775   2.309
  111   2HG1  ILE  46          1HG1      ILE  46  -2.373  -6.337   2.923
  112   1HG2  ILE  46          1HG2      ILE  46  -1.516  -4.904  -0.872
  113   2HG2  ILE  46          2HG2      ILE  46  -1.295  -6.653  -0.923
  114   3HG2  ILE  46          3HG2      ILE  46  -0.317  -5.672   0.169
  115   1HD1  ILE  46          1HD1      ILE  46  -1.532  -8.242   0.998
  116   2HD1  ILE  46          2HD1      ILE  46  -1.640  -8.455   2.745
  117   3HD1  ILE  46          3HD1      ILE  46  -0.133  -7.902   2.016
  118    H    TYR  47           H        TYR  47  -2.269  -4.043   3.406
  119    HA   TYR  47           HA       TYR  47  -4.357  -5.262   4.947
  120   1HB   TYR  47          1HB       TYR  47  -2.069  -4.669   5.732
  121   2HB   TYR  47          2HB       TYR  47  -2.491  -2.962   5.611
  122    HD1  TYR  47           1HD      TYR  47  -3.988  -1.914   7.210
  123    HD2  TYR  47           2HD      TYR  47  -3.128  -6.117   7.423
  124    HE1  TYR  47           1HE      TYR  47  -5.004  -2.007   9.470
  125    HE2  TYR  47           2HE      TYR  47  -4.143  -6.210   9.684
  126    HH   TYR  47           HH       TYR  47  -6.119  -4.432  10.886
  127    H    GLU  48           H        GLU  48  -3.930  -1.998   3.649
  128    HA   GLU  48           HA       GLU  48  -6.144  -0.775   5.029
  129   1HB   GLU  48          2HB       GLU  48  -4.708  -0.172   2.422
  130   2HB   GLU  48          1HB       GLU  48  -5.835   0.935   3.206
  131   1HG   GLU  48          2HG       GLU  48  -4.410   0.942   5.229
  132   2HG   GLU  48          1HG       GLU  48  -3.277  -0.147   4.428
  133    H    THR  49           H        THR  49  -5.841  -2.707   2.109
  134    HA   THR  49           HA       THR  49  -8.297  -2.108   0.815
  135    HB   THR  49           HB       THR  49  -6.839  -4.760   1.085
  136    HG1  THR  49           1HG      THR  49  -5.736  -4.015  -0.772
  137   1HG2  THR  49          1HG2      THR  49  -8.298  -5.554  -0.425
  138   2HG2  THR  49          2HG2      THR  49  -7.967  -4.199  -1.504
  139   3HG2  THR  49          3HG2      THR  49  -9.219  -4.056  -0.270
  140    H    TYR  50           H        TYR  50  -7.545  -4.266   3.525
  141    HA   TYR  50           HA       TYR  50 -10.144  -5.514   3.705
  142   1HB   TYR  50          1HB       TYR  50  -7.890  -5.032   5.682
  143   2HB   TYR  50          2HB       TYR  50  -9.262  -6.092   5.999
  144    HD1  TYR  50           1HD      TYR  50  -9.660  -8.084   4.490
  145    HD2  TYR  50           2HD      TYR  50  -6.062  -5.744   4.334
  146    HE1  TYR  50           1HE      TYR  50  -8.515  -9.925   3.285
  147    HE2  TYR  50           2HE      TYR  50  -4.917  -7.584   3.128
  148    HH   TYR  50           HH       TYR  50  -5.483  -9.509   1.752
  149    H    GLY  51           H        GLY  51  -8.639  -2.706   5.311
  150   1HA   GLY  51          2HA       GLY  51 -11.159  -1.343   5.624
  151   2HA   GLY  51          1HA       GLY  51 -10.661  -2.068   7.152
  152   1HN   NH2  52          1H        GLY  51 -10.782   0.710   7.066
  153   2HN   NH2  52          2H        GLY  51  -9.217   1.367   7.045
  Start of MODEL    5
    1   1H    ACE  33          1H        ACE  33  15.053  -0.099   7.434
    2   2H    ACE  33          2H        ACE  33  16.606   0.692   7.699
    3   3H    ACE  33          3H        ACE  33  16.297  -0.898   8.396
    4    H    PHE  34           H        PHE  34  16.915  -2.657   7.208
    5    HA   PHE  34           HA       PHE  34  18.423  -2.350   4.781
    6   1HB   PHE  34          2HB       PHE  34  17.351  -4.536   6.507
    7   2HB   PHE  34          1HB       PHE  34  17.856  -4.980   4.877
    8    HD1  PHE  34           1HD      PHE  34  19.098  -2.713   7.609
    9    HD2  PHE  34           2HD      PHE  34  20.048  -5.726   4.700
   10    HE1  PHE  34           1HE      PHE  34  21.471  -2.657   8.327
   11    HE2  PHE  34           2HE      PHE  34  22.422  -5.671   5.418
   12    HZ   PHE  34           HZ       PHE  34  23.133  -4.136   7.232
   13    HA   PRO  35           HA       PRO  35  15.312  -2.053   1.694
   14   1HB   PRO  35          2HB       PRO  35  16.348  -3.700  -0.228
   15   2HB   PRO  35          1HB       PRO  35  16.951  -2.058   0.064
   16   1HG   PRO  35          2HG       PRO  35  18.058  -4.677   0.959
   17   2HG   PRO  35          1HG       PRO  35  18.905  -3.241   0.363
   18   1HD   PRO  35          2HD       PRO  35  18.729  -3.883   3.000
   19   2HD   PRO  35          1HD       PRO  35  18.865  -2.213   2.415
   20    H    ARG  36           H        ARG  36  16.404  -5.084   3.050
   21    HA   ARG  36           HA       ARG  36  14.614  -6.927   1.866
   22   1HB   ARG  36          2HB       ARG  36  15.761  -6.704   4.663
   23   2HB   ARG  36          1HB       ARG  36  14.974  -8.153   4.038
   24   1HG   ARG  36          2HG       ARG  36  16.634  -8.153   2.146
   25   2HG   ARG  36          1HG       ARG  36  17.475  -6.828   2.951
   26   1HD   ARG  36          2HD       ARG  36  16.988  -9.600   4.108
   27   2HD   ARG  36          1HD       ARG  36  18.547  -8.941   3.579
   28    HE   ARG  36           HE       ARG  36  17.784  -7.032   5.338
   29   1HH1  ARG  36          1HH2      ARG  36  18.956 -10.133   5.616
   30   2HH1  ARG  36          2HH2      ARG  36  18.529 -10.351   7.280
   31   1HH2  ARG  36          1HH1      ARG  36  16.647  -7.445   7.454
   32   2HH2  ARG  36          2HH1      ARG  36  17.223  -8.829   8.320
   33    H    ILE  37           H        ILE  37  14.079  -4.593   4.481
   34    HA   ILE  37           HA       ILE  37  11.494  -5.626   5.275
   35    HB   ILE  37           HB       ILE  37  11.439  -3.680   6.646
   36   1HG1  ILE  37          1HG1      ILE  37  13.441  -2.411   4.754
   37   2HG1  ILE  37          2HG1      ILE  37  11.714  -2.062   4.766
   38   1HG2  ILE  37          1HG2      ILE  37  14.392  -3.726   6.362
   39   2HG2  ILE  37          2HG2      ILE  37  13.620  -5.289   6.633
   40   3HG2  ILE  37          3HG2      ILE  37  13.394  -3.980   7.794
   41   1HD1  ILE  37          1HD1      ILE  37  11.825  -1.148   6.978
   42   2HD1  ILE  37          2HD1      ILE  37  13.170  -0.438   6.085
   43   3HD1  ILE  37          3HD1      ILE  37  13.462  -1.758   7.218
   44    H    TRP  38           H        TRP  38  12.531  -3.953   2.500
   45    HA   TRP  38           HA       TRP  38  10.405  -2.188   1.899
   46   1HB   TRP  38          2HB       TRP  38  12.589  -2.571   0.684
   47   2HB   TRP  38          1HB       TRP  38  11.882  -4.036   0.001
   48    HD1  TRP  38           HD       TRP  38  11.906  -0.293  -0.337
   49    HE1  TRP  38           1HE      TRP  38  10.415   0.406  -2.319
   50    HE3  TRP  38           3HE      TRP  38   9.634  -4.753  -1.347
   51    HZ2  TRP  38           2HZ      TRP  38   8.509  -0.771  -4.099
   52    HZ3  TRP  38           3HZ      TRP  38   7.988  -4.937  -3.190
   53    HH2  TRP  38           HH       TRP  38   7.422  -2.953  -4.567
   54    H    LEU  39           H        LEU  39  10.656  -5.708   1.429
   55    HA   LEU  39           HA       LEU  39   8.233  -6.082  -0.037
   56   1HB   LEU  39          2HB       LEU  39   9.661  -7.889   1.938
   57   2HB   LEU  39          1HB       LEU  39   8.528  -8.420   0.695
   58    HG   LEU  39           HG       LEU  39  11.188  -7.039   0.225
   59   1HD1  LEU  39          1HD1      LEU  39  10.581  -9.677  -0.962
   60   2HD1  LEU  39          2HD1      LEU  39  10.731  -9.673   0.796
   61   3HD1  LEU  39          3HD1      LEU  39  12.065  -9.099  -0.205
   62   1HD2  LEU  39          1HD2      LEU  39  10.338  -6.427  -1.768
   63   2HD2  LEU  39          2HD2      LEU  39   8.810  -7.227  -1.401
   64   3HD2  LEU  39          3HD2      LEU  39  10.121  -8.134  -2.155
   65    H    HIS  40           H        HIS  40   8.881  -5.780   3.420
   66    HA   HIS  40           HA       HIS  40   6.320  -6.694   4.362
   67   1HB   HIS  40          2HB       HIS  40   8.251  -6.563   5.807
   68   2HB   HIS  40          1HB       HIS  40   8.454  -4.844   5.467
   69    HD1  HIS  40           1HD      HIS  40   7.513  -3.373   7.234
   70    HD2  HIS  40           2HD      HIS  40   5.463  -6.997   7.029
   71    HE1  HIS  40           1HE      HIS  40   5.749  -3.302   9.051
   72    H    ASN  41           H        ASN  41   7.544  -3.520   3.345
   73    HA   ASN  41           HA       ASN  41   5.422  -1.874   4.244
   74   1HB   ASN  41          2HB       ASN  41   7.202  -1.801   1.790
   75   2HB   ASN  41          1HB       ASN  41   6.176  -0.454   2.280
   76   1HD2  ASN  41          1HD2      ASN  41   9.028  -0.188   2.220
   77   2HD2  ASN  41          2HD2      ASN  41   9.586  -0.016   3.814
   78    H    LEU  42           H        LEU  42   5.742  -3.714   1.195
   79    HA   LEU  42           HA       LEU  42   3.416  -2.875  -0.138
   80   1HB   LEU  42          2HB       LEU  42   5.214  -4.369  -0.993
   81   2HB   LEU  42          1HB       LEU  42   4.607  -5.660   0.045
   82    HG   LEU  42           HG       LEU  42   2.342  -5.299  -1.126
   83   1HD1  LEU  42          1HD1      LEU  42   2.809  -3.147  -2.158
   84   2HD1  LEU  42          2HD1      LEU  42   2.573  -4.340  -3.435
   85   3HD1  LEU  42          3HD1      LEU  42   4.201  -3.815  -3.007
   86   1HD2  LEU  42          1HD2      LEU  42   4.786  -6.632  -2.082
   87   2HD2  LEU  42          2HD2      LEU  42   3.585  -6.362  -3.344
   88   3HD2  LEU  42          3HD2      LEU  42   3.154  -7.275  -1.897
   89    H    GLY  43           H        GLY  43   3.758  -5.227   2.495
   90   1HA   GLY  43          1HA       GLY  43   1.126  -6.319   2.381
   91   2HA   GLY  43          2HA       GLY  43   2.140  -6.285   3.823
   92    H    GLN  44           H        GLN  44   2.357  -3.311   3.719
   93    HA   GLN  44           HA       GLN  44   0.072  -2.680   5.360
   94   1HB   GLN  44          2HB       GLN  44   2.376  -1.681   5.464
   95   2HB   GLN  44          1HB       GLN  44   2.030  -0.839   3.953
   96   1HG   GLN  44          2HG       GLN  44   0.057   0.231   5.045
   97   2HG   GLN  44          1HG       GLN  44   0.507  -0.548   6.562
   98   1HE2  GLN  44          1HE2      GLN  44   1.698   0.808   7.895
   99   2HE2  GLN  44          2HE2      GLN  44   2.753   2.027   7.364
  100    H    HIS  45           H        HIS  45   0.810  -2.212   1.938
  101    HA   HIS  45           HA       HIS  45  -1.301  -0.336   1.364
  102   1HB   HIS  45          2HB       HIS  45   0.223  -2.371  -0.292
  103   2HB   HIS  45          1HB       HIS  45  -0.852  -1.159  -0.988
  104    HD1  HIS  45           1HD      HIS  45   2.458  -1.542   0.743
  105    HD2  HIS  45           2HD      HIS  45   0.139   1.516  -0.883
  106    HE1  HIS  45           1HE      HIS  45   3.946   0.504   0.632
  107    H    ILE  46           H        ILE  46  -1.099  -3.895   0.978
  108    HA   ILE  46           HA       ILE  46  -3.857  -4.178   0.135
  109    HB   ILE  46           HB       ILE  46  -3.365  -6.537   0.341
  110   1HG1  ILE  46          2HG1      ILE  46  -0.912  -5.771   1.948
  111   2HG1  ILE  46          1HG1      ILE  46  -2.425  -6.305   2.681
  112   1HG2  ILE  46          1HG2      ILE  46  -0.713  -5.225  -0.286
  113   2HG2  ILE  46          2HG2      ILE  46  -2.095  -5.128  -1.377
  114   3HG2  ILE  46          3HG2      ILE  46  -1.387  -6.695  -0.988
  115   1HD1  ILE  46          1HD1      ILE  46  -0.649  -8.115   2.282
  116   2HD1  ILE  46          2HD1      ILE  46  -1.005  -7.932   0.564
  117   3HD1  ILE  46          3HD1      ILE  46  -2.269  -8.459   1.676
  118    H    TYR  47           H        TYR  47  -2.226  -3.954   3.213
  119    HA   TYR  47           HA       TYR  47  -4.154  -5.170   4.928
  120   1HB   TYR  47          2HB       TYR  47  -1.812  -4.443   5.467
  121   2HB   TYR  47          1HB       TYR  47  -2.364  -2.770   5.418
  122    HD1  TYR  47           1HD      TYR  47  -3.765  -1.850   7.173
  123    HD2  TYR  47           2HD      TYR  47  -2.590  -5.981   7.229
  124    HE1  TYR  47           1HE      TYR  47  -4.537  -2.038   9.523
  125    HE2  TYR  47           2HE      TYR  47  -3.363  -6.170   9.578
  126    HH   TYR  47           HH       TYR  47  -3.664  -4.401  11.560
  127    H    GLU  48           H        GLU  48  -3.824  -1.822   3.775
  128    HA   GLU  48           HA       GLU  48  -6.023  -0.688   5.200
  129   1HB   GLU  48          2HB       GLU  48  -4.042   0.271   3.720
  130   2HB   GLU  48          1HB       GLU  48  -5.241   0.172   2.431
  131   1HG   GLU  48          2HG       GLU  48  -6.821   1.446   3.975
  132   2HG   GLU  48          1HG       GLU  48  -5.424   1.743   5.012
  133    H    THR  49           H        THR  49  -5.823  -2.421   2.114
  134    HA   THR  49           HA       THR  49  -8.408  -1.871   1.079
  135    HB   THR  49           HB       THR  49  -6.792  -4.439   0.956
  136    HG1  THR  49           1HG      THR  49  -5.460  -2.846   0.302
  137   1HG2  THR  49          1HG2      THR  49  -8.568  -3.267  -1.182
  138   2HG2  THR  49          2HG2      THR  49  -9.211  -4.345   0.058
  139   3HG2  THR  49          3HG2      THR  49  -7.958  -4.916  -1.043
  140    H    TYR  50           H        TYR  50  -7.337  -4.218   3.514
  141    HA   TYR  50           HA       TYR  50  -9.856  -5.638   3.703
  142   1HB   TYR  50          1HB       TYR  50  -7.494  -5.275   5.572
  143   2HB   TYR  50          2HB       TYR  50  -8.795  -6.433   5.848
  144    HD1  TYR  50           1HD      TYR  50  -5.710  -5.774   4.109
  145    HD2  TYR  50           2HD      TYR  50  -9.247  -8.207   4.067
  146    HE1  TYR  50           1HE      TYR  50  -4.573  -7.397   2.620
  147    HE2  TYR  50           2HE      TYR  50  -8.111  -9.833   2.577
  148    HH   TYR  50           HH       TYR  50  -4.799  -9.237   1.398
  149    H    GLY  51           H        GLY  51  -8.366  -3.002   5.604
  150   1HA   GLY  51          1HA       GLY  51  -9.340  -1.446   7.068
  151   2HA   GLY  51          2HA       GLY  51 -10.837  -1.701   6.170
  152   1HN   NH2  52          1H        GLY  51  -8.886  -3.886   8.283
  153   2HN   NH2  52          2H        GLY  51 -10.180  -4.302   9.299
  Start of MODEL    6
    1   1H    ACE  33          1H        ACE  33  17.393  -1.644   7.901
    2   2H    ACE  33          2H        ACE  33  18.359  -3.064   8.307
    3   3H    ACE  33          3H        ACE  33  16.636  -3.236   7.971
    4    H    PHE  34           H        PHE  34  18.051  -4.869   6.474
    5    HA   PHE  34           HA       PHE  34  19.217  -3.797   4.067
    6   1HB   PHE  34          2HB       PHE  34  18.072  -6.456   4.939
    7   2HB   PHE  34          1HB       PHE  34  18.755  -6.229   3.329
    8    HD1  PHE  34           1HD      PHE  34  19.500  -6.103   6.966
    9    HD2  PHE  34           2HD      PHE  34  21.123  -6.051   2.990
   10    HE1  PHE  34           1HE      PHE  34  21.781  -6.392   7.894
   11    HE2  PHE  34           2HE      PHE  34  23.405  -6.341   3.917
   12    HZ   PHE  34           HZ       PHE  34  23.734  -6.512   6.369
   13    HA   PRO  35           HA       PRO  35  15.731  -2.480   1.752
   14   1HB   PRO  35          2HB       PRO  35  16.301  -3.512  -0.715
   15   2HB   PRO  35          1HB       PRO  35  17.098  -2.066  -0.065
   16   1HG   PRO  35          2HG       PRO  35  18.067  -4.883  -0.179
   17   2HG   PRO  35          1HG       PRO  35  18.950  -3.377  -0.467
   18   1HD   PRO  35          2HD       PRO  35  19.109  -4.784   1.857
   19   2HD   PRO  35          1HD       PRO  35  19.322  -3.023   1.769
   20    H    ARG  36           H        ARG  36  16.721  -5.821   1.965
   21    HA   ARG  36           HA       ARG  36  14.639  -7.162   0.615
   22   1HB   ARG  36          2HB       ARG  36  16.113  -7.798   3.189
   23   2HB   ARG  36          1HB       ARG  36  15.160  -8.971   2.280
   24   1HG   ARG  36          2HG       ARG  36  16.602  -8.514   0.282
   25   2HG   ARG  36          1HG       ARG  36  17.604  -7.471   1.292
   26   1HD   ARG  36          2HD       ARG  36  17.100 -10.437   1.745
   27   2HD   ARG  36          1HD       ARG  36  18.619  -9.703   1.199
   28    HE   ARG  36           HE       ARG  36  18.246  -8.307   3.462
   29   1HH1  ARG  36          1HH2      ARG  36  16.522 -11.141   3.442
   30   2HH1  ARG  36          2HH2      ARG  36  17.338 -11.875   4.783
   31   1HH2  ARG  36          1HH1      ARG  36  19.826  -9.466   4.933
   32   2HH2  ARG  36          2HH1      ARG  36  19.206 -10.928   5.626
   33    H    ILE  37           H        ILE  37  14.630  -5.599   3.789
   34    HA   ILE  37           HA       ILE  37  12.095  -6.685   4.670
   35    HB   ILE  37           HB       ILE  37  12.379  -5.146   6.472
   36   1HG1  ILE  37          1HG1      ILE  37  14.265  -3.561   4.703
   37   2HG1  ILE  37          2HG1      ILE  37  12.580  -3.131   4.991
   38   1HG2  ILE  37          1HG2      ILE  37  15.236  -5.444   5.583
   39   2HG2  ILE  37          2HG2      ILE  37  14.279  -6.877   5.958
   40   3HG2  ILE  37          3HG2      ILE  37  14.547  -5.648   7.194
   41   1HD1  ILE  37          1HD1      ILE  37  14.658  -3.472   7.174
   42   2HD1  ILE  37          2HD1      ILE  37  13.001  -2.904   7.379
   43   3HD1  ILE  37          3HD1      ILE  37  14.168  -1.918   6.499
   44    H    TRP  38           H        TRP  38  12.884  -4.417   2.268
   45    HA   TRP  38           HA       TRP  38  10.817  -2.475   2.486
   46   1HB   TRP  38          2HB       TRP  38  12.823  -2.476   0.976
   47   2HB   TRP  38          1HB       TRP  38  12.033  -3.712  -0.002
   48    HD1  TRP  38           HD       TRP  38  11.851  -0.021   0.901
   49    HE1  TRP  38           1HE      TRP  38  10.249   1.164  -0.735
   50    HE3  TRP  38           3HE      TRP  38   9.945  -4.072  -1.556
   51    HZ2  TRP  38           2HZ      TRP  38   8.404   0.484  -2.812
   52    HZ3  TRP  38           3HZ      TRP  38   8.268  -3.775  -3.357
   53    HH2  TRP  38           HH       TRP  38   7.496  -1.505  -3.988
   54    H    LEU  39           H        LEU  39  10.783  -5.777   1.207
   55    HA   LEU  39           HA       LEU  39   8.331  -5.716  -0.221
   56   1HB   LEU  39          2HB       LEU  39  10.026  -7.541  -0.186
   57   2HB   LEU  39          1HB       LEU  39   9.537  -7.934   1.463
   58    HG   LEU  39           HG       LEU  39   7.173  -8.233   0.559
   59   1HD1  LEU  39          1HD1      LEU  39   8.079  -8.847  -2.128
   60   2HD1  LEU  39          2HD1      LEU  39   8.366  -7.149  -1.746
   61   3HD1  LEU  39          3HD1      LEU  39   6.740  -7.821  -1.614
   62   1HD2  LEU  39          1HD2      LEU  39   7.664 -10.486  -0.349
   63   2HD2  LEU  39          2HD2      LEU  39   8.633 -10.146   1.085
   64   3HD2  LEU  39          3HD2      LEU  39   9.362 -10.040  -0.518
   65    H    HIS  40           H        HIS  40   8.974  -6.086   3.243
   66    HA   HIS  40           HA       HIS  40   6.385  -6.875   4.110
   67   1HB   HIS  40          2HB       HIS  40   8.557  -5.176   5.377
   68   2HB   HIS  40          1HB       HIS  40   7.182  -5.834   6.266
   69    HD1  HIS  40           1HD      HIS  40  10.264  -6.921   4.364
   70    HD2  HIS  40           2HD      HIS  40   7.367  -8.578   6.862
   71    HE1  HIS  40           1HE      HIS  40  11.050  -9.265   4.918
   72    H    ASN  41           H        ASN  41   7.708  -3.688   3.316
   73    HA   ASN  41           HA       ASN  41   5.680  -2.023   4.388
   74   1HB   ASN  41          2HB       ASN  41   7.406  -1.854   1.902
   75   2HB   ASN  41          1HB       ASN  41   6.451  -0.502   2.510
   76   1HD2  ASN  41          1HD2      ASN  41   9.350  -0.450   2.390
   77   2HD2  ASN  41          2HD2      ASN  41   9.932  -0.382   3.983
   78    H    LEU  42           H        LEU  42   5.831  -3.742   1.278
   79    HA   LEU  42           HA       LEU  42   3.521  -2.691   0.031
   80   1HB   LEU  42          2HB       LEU  42   4.648  -5.511   0.004
   81   2HB   LEU  42          1HB       LEU  42   3.601  -4.816  -1.232
   82    HG   LEU  42           HG       LEU  42   6.389  -3.885  -0.485
   83   1HD1  LEU  42          1HD1      LEU  42   5.352  -5.759  -2.405
   84   2HD1  LEU  42          2HD1      LEU  42   7.029  -5.296  -2.115
   85   3HD1  LEU  42          3HD1      LEU  42   6.047  -4.381  -3.259
   86   1HD2  LEU  42          1HD2      LEU  42   5.174  -1.903  -0.978
   87   2HD2  LEU  42          2HD2      LEU  42   4.260  -2.691  -2.264
   88   3HD2  LEU  42          3HD2      LEU  42   5.970  -2.330  -2.493
   89    H    GLY  43           H        GLY  43   3.840  -5.195   2.520
   90   1HA   GLY  43          1HA       GLY  43   1.199  -6.242   2.405
   91   2HA   GLY  43          2HA       GLY  43   2.217  -6.252   3.843
   92    H    GLN  44           H        GLN  44   2.428  -3.239   3.707
   93    HA   GLN  44           HA       GLN  44   0.209  -2.633   5.444
   94   1HB   GLN  44          2HB       GLN  44   2.501  -1.589   5.422
   95   2HB   GLN  44          1HB       GLN  44   2.055  -0.762   3.929
   96   1HG   GLN  44          2HG       GLN  44   0.062   0.191   5.176
   97   2HG   GLN  44          1HG       GLN  44   0.768  -0.459   6.655
   98   1HE2  GLN  44          1HE2      GLN  44   3.536   0.161   5.217
   99   2HE2  GLN  44          2HE2      GLN  44   3.753   1.810   5.552
  100    H    HIS  45           H        HIS  45   0.738  -2.308   1.981
  101    HA   HIS  45           HA       HIS  45  -1.430  -0.455   1.474
  102   1HB   HIS  45          2HB       HIS  45   0.061  -2.471  -0.238
  103   2HB   HIS  45          1HB       HIS  45  -1.037  -1.250  -0.882
  104    HD1  HIS  45           1HD      HIS  45   2.273  -1.600   0.910
  105    HD2  HIS  45           2HD      HIS  45   0.023   1.364  -0.970
  106    HE1  HIS  45           1HE      HIS  45   3.773   0.434   0.731
  107    H    ILE  46           H        ILE  46  -1.131  -4.014   1.154
  108    HA   ILE  46           HA       ILE  46  -3.806  -4.509   0.289
  109    HB   ILE  46           HB       ILE  46  -2.020  -6.157   0.141
  110   1HG1  ILE  46          2HG1      ILE  46  -3.825  -7.291   2.259
  111   2HG1  ILE  46          1HG1      ILE  46  -4.500  -6.805   0.703
  112   1HG2  ILE  46          1HG2      ILE  46  -1.987  -5.897   3.158
  113   2HG2  ILE  46          2HG2      ILE  46  -0.664  -5.577   2.040
  114   3HG2  ILE  46          3HG2      ILE  46  -1.214  -7.230   2.302
  115   1HD1  ILE  46          1HD1      ILE  46  -3.497  -9.270   1.136
  116   2HD1  ILE  46          2HD1      ILE  46  -2.019  -8.451   0.633
  117   3HD1  ILE  46          3HD1      ILE  46  -3.418  -8.483  -0.440
  118    H    TYR  47           H        TYR  47  -2.404  -4.120   3.518
  119    HA   TYR  47           HA       TYR  47  -4.569  -5.038   5.101
  120   1HB   TYR  47          2HB       TYR  47  -2.244  -4.393   5.813
  121   2HB   TYR  47          1HB       TYR  47  -2.702  -2.702   5.606
  122    HD1  TYR  47           1HD      TYR  47  -4.172  -1.594   7.168
  123    HD2  TYR  47           2HD      TYR  47  -3.316  -5.783   7.560
  124    HE1  TYR  47           1HE      TYR  47  -5.188  -1.588   9.431
  125    HE2  TYR  47           2HE      TYR  47  -4.331  -5.780   9.824
  126    HH   TYR  47           HH       TYR  47  -5.313  -4.569  11.393
  127    H    GLU  48           H        GLU  48  -3.945  -1.839   3.694
  128    HA   GLU  48           HA       GLU  48  -6.135  -0.433   4.837
  129   1HB   GLU  48          2HB       GLU  48  -4.042   0.250   3.382
  130   2HB   GLU  48          1HB       GLU  48  -5.158   0.033   2.034
  131   1HG   GLU  48          2HG       GLU  48  -6.770   1.561   3.261
  132   2HG   GLU  48          1HG       GLU  48  -5.460   1.911   4.388
  133    H    THR  49           H        THR  49  -5.931  -2.598   2.052
  134    HA   THR  49           HA       THR  49  -8.384  -2.017   0.763
  135    HB   THR  49           HB       THR  49  -7.043  -4.707   1.196
  136    HG1  THR  49           1HG      THR  49  -5.743  -4.143  -0.484
  137   1HG2  THR  49          1HG2      THR  49  -8.043  -5.319  -0.913
  138   2HG2  THR  49          2HG2      THR  49  -8.644  -3.680  -1.160
  139   3HG2  THR  49          3HG2      THR  49  -9.322  -4.685   0.121
  140    H    TYR  50           H        TYR  50  -7.689  -4.018   3.614
  141    HA   TYR  50           HA       TYR  50 -10.343  -5.137   3.878
  142   1HB   TYR  50          1HB       TYR  50  -8.059  -4.657   5.817
  143   2HB   TYR  50          2HB       TYR  50  -9.486  -5.614   6.205
  144    HD1  TYR  50           1HD      TYR  50 -10.011  -7.667   4.813
  145    HD2  TYR  50           2HD      TYR  50  -6.272  -5.569   4.539
  146    HE1  TYR  50           1HE      TYR  50  -8.977  -9.649   3.742
  147    HE2  TYR  50           2HE      TYR  50  -5.239  -7.551   3.465
  148    HH   TYR  50           HH       TYR  50  -5.970 -10.307   3.608
  149    H    GLY  51           H        GLY  51  -8.712  -2.306   5.319
  150   1HA   GLY  51          1HA       GLY  51 -11.410  -1.349   6.205
  151   2HA   GLY  51          2HA       GLY  51  -9.955  -1.087   7.168
  152   1HN   NH2  52          1H        GLY  51  -8.206   0.276   6.065
  153   2HN   NH2  52          2H        GLY  51  -8.704   1.504   5.004
  Start of MODEL    7
    1   1H    ACE  33          1H        ACE  33  18.684  -3.859   7.849
    2   2H    ACE  33          2H        ACE  33  16.939  -3.737   7.627
    3   3H    ACE  33          3H        ACE  33  17.941  -2.289   7.541
    4    H    PHE  34           H        PHE  34  18.291  -5.516   6.038
    5    HA   PHE  34           HA       PHE  34  19.237  -4.440   3.536
    6   1HB   PHE  34          2HB       PHE  34  18.225  -7.092   4.556
    7   2HB   PHE  34          1HB       PHE  34  18.639  -6.889   2.854
    8    HD1  PHE  34           1HD      PHE  34  19.995  -6.394   6.305
    9    HD2  PHE  34           2HD      PHE  34  20.882  -7.022   2.149
   10    HE1  PHE  34           1HE      PHE  34  22.398  -6.662   6.858
   11    HE2  PHE  34           2HE      PHE  34  23.284  -7.291   2.702
   12    HZ   PHE  34           HZ       PHE  34  24.043  -7.111   5.057
   13    HA   PRO  35           HA       PRO  35  15.580  -3.169   1.489
   14   1HB   PRO  35          2HB       PRO  35  15.883  -4.313  -0.977
   15   2HB   PRO  35          1HB       PRO  35  16.767  -2.860  -0.469
   16   1HG   PRO  35          2HG       PRO  35  17.668  -5.700  -0.561
   17   2HG   PRO  35          1HG       PRO  35  18.545  -4.226  -0.995
   18   1HD   PRO  35          2HD       PRO  35  18.910  -5.542   1.358
   19   2HD   PRO  35          1HD       PRO  35  19.142  -3.791   1.177
   20    H    ARG  36           H        ARG  36  16.522  -6.520   1.746
   21    HA   ARG  36           HA       ARG  36  14.363  -7.924   0.664
   22   1HB   ARG  36          2HB       ARG  36  16.421  -8.837   1.750
   23   2HB   ARG  36          1HB       ARG  36  15.744  -8.407   3.321
   24   1HG   ARG  36          2HG       ARG  36  15.198 -10.708   3.003
   25   2HG   ARG  36          1HG       ARG  36  13.711  -9.821   2.663
   26   1HD   ARG  36          2HD       ARG  36  14.213  -9.921   0.233
   27   2HD   ARG  36          1HD       ARG  36  15.688 -10.841   0.587
   28    HE   ARG  36           HE       ARG  36  13.973 -12.414   1.848
   29   1HH1  ARG  36          1HH2      ARG  36  11.527 -11.119   0.845
   30   2HH1  ARG  36          2HH2      ARG  36  11.188 -11.993  -0.611
   31   1HH2  ARG  36          1HH1      ARG  36  14.372 -13.346  -0.855
   32   2HH2  ARG  36          2HH1      ARG  36  12.798 -13.255  -1.573
   33    H    ILE  37           H        ILE  37  14.501  -6.165   3.742
   34    HA   ILE  37           HA       ILE  37  11.898  -7.054   4.674
   35    HB   ILE  37           HB       ILE  37  12.322  -5.508   6.451
   36   1HG1  ILE  37          1HG1      ILE  37  14.377  -4.158   4.677
   37   2HG1  ILE  37          2HG1      ILE  37  12.734  -3.560   4.905
   38   1HG2  ILE  37          1HG2      ILE  37  14.107  -6.680   7.157
   39   2HG2  ILE  37          2HG2      ILE  37  15.160  -5.810   6.041
   40   3HG2  ILE  37          3HG2      ILE  37  14.326  -7.270   5.510
   41   1HD1  ILE  37          1HD1      ILE  37  15.047  -3.416   6.714
   42   2HD1  ILE  37          2HD1      ILE  37  13.570  -3.976   7.499
   43   3HD1  ILE  37          3HD1      ILE  37  13.591  -2.420   6.669
   44    H    TRP  38           H        TRP  38  12.835  -4.927   2.217
   45    HA   TRP  38           HA       TRP  38  10.930  -2.807   2.451
   46   1HB   TRP  38          2HB       TRP  38  12.924  -2.879   0.968
   47   2HB   TRP  38          1HB       TRP  38  12.140  -4.126  -0.001
   48    HD1  TRP  38           HD       TRP  38  12.115  -0.408   0.699
   49    HE1  TRP  38           1HE      TRP  38  10.543   0.763  -0.975
   50    HE3  TRP  38           3HE      TRP  38   9.934  -4.488  -1.462
   51    HZ2  TRP  38           2HZ      TRP  38   8.615   0.061  -2.968
   52    HZ3  TRP  38           3HZ      TRP  38   8.234  -4.210  -3.243
   53    HH2  TRP  38           HH       TRP  38   7.572  -1.942  -3.998
   54    H    LEU  39           H        LEU  39  10.622  -6.131   1.351
   55    HA   LEU  39           HA       LEU  39   8.195  -5.850  -0.162
   56   1HB   LEU  39          2HB       LEU  39   9.750  -7.787  -0.207
   57   2HB   LEU  39          1HB       LEU  39   9.281  -8.184   1.447
   58    HG   LEU  39           HG       LEU  39   6.865  -8.258   0.563
   59   1HD1  LEU  39          1HD1      LEU  39   6.495  -7.809  -1.612
   60   2HD1  LEU  39          2HD1      LEU  39   7.673  -9.030  -2.098
   61   3HD1  LEU  39          3HD1      LEU  39   8.198  -7.377  -1.773
   62   1HD2  LEU  39          1HD2      LEU  39   7.149 -10.500   0.564
   63   2HD2  LEU  39          2HD2      LEU  39   8.877 -10.186   0.717
   64   3HD2  LEU  39          3HD2      LEU  39   8.165 -10.438  -0.877
   65    H    HIS  40           H        HIS  40   8.853  -6.182   3.283
   66    HA   HIS  40           HA       HIS  40   6.239  -6.900   4.181
   67   1HB   HIS  40          2HB       HIS  40   8.496  -5.292   5.414
   68   2HB   HIS  40          1HB       HIS  40   7.100  -5.873   6.323
   69    HD1  HIS  40           1HD      HIS  40  10.066  -7.158   4.345
   70    HD2  HIS  40           2HD      HIS  40   7.200  -8.586   7.014
   71    HE1  HIS  40           1HE      HIS  40  10.762  -9.518   4.947
   72    H    ASN  41           H        ASN  41   7.692  -3.764   3.388
   73    HA   ASN  41           HA       ASN  41   5.720  -2.031   4.462
   74   1HB   ASN  41          1HB       ASN  41   7.526  -1.925   2.033
   75   2HB   ASN  41          2HB       ASN  41   6.560  -0.544   2.552
   76   1HD2  ASN  41          1HD2      ASN  41   7.507  -2.424   5.258
   77   2HD2  ASN  41          2HD2      ASN  41   8.845  -1.493   5.727
   78    H    LEU  42           H        LEU  42   5.835  -3.743   1.344
   79    HA   LEU  42           HA       LEU  42   3.565  -2.573   0.104
   80   1HB   LEU  42          2HB       LEU  42   4.620  -5.419  -0.009
   81   2HB   LEU  42          1HB       LEU  42   3.607  -4.651  -1.231
   82    HG   LEU  42           HG       LEU  42   6.410  -3.821  -0.422
   83   1HD1  LEU  42          1HD1      LEU  42   6.983  -5.295  -2.028
   84   2HD1  LEU  42          2HD1      LEU  42   6.199  -4.223  -3.188
   85   3HD1  LEU  42          3HD1      LEU  42   5.296  -5.557  -2.470
   86   1HD2  LEU  42          1HD2      LEU  42   5.692  -2.414  -2.701
   87   2HD2  LEU  42          2HD2      LEU  42   5.745  -1.753  -1.066
   88   3HD2  LEU  42          3HD2      LEU  42   4.225  -2.362  -1.722
   89    H    GLY  43           H        GLY  43   3.816  -5.011   2.629
   90   1HA   GLY  43          1HA       GLY  43   1.205  -6.127   2.449
   91   2HA   GLY  43          2HA       GLY  43   2.167  -6.058   3.925
   92    H    GLN  44           H        GLN  44   2.322  -3.057   3.700
   93    HA   GLN  44           HA       GLN  44   0.014  -2.434   5.312
   94   1HB   GLN  44          2HB       GLN  44   2.280  -1.356   5.385
   95   2HB   GLN  44          1HB       GLN  44   1.922  -0.597   3.834
   96   1HG   GLN  44          2HG       GLN  44  -0.113   0.439   4.878
   97   2HG   GLN  44          1HG       GLN  44   0.406  -0.213   6.432
   98   1HE2  GLN  44          1HE2      GLN  44   1.333   1.467   7.612
   99   2HE2  GLN  44          2HE2      GLN  44   2.413   2.618   6.986
  100    H    HIS  45           H        HIS  45   0.727  -2.140   1.872
  101    HA   HIS  45           HA       HIS  45  -1.428  -0.343   1.202
  102   1HB   HIS  45          2HB       HIS  45   0.152  -2.421  -0.344
  103   2HB   HIS  45          1HB       HIS  45  -0.953  -1.275  -1.103
  104    HD1  HIS  45           1HD      HIS  45   2.282  -1.397   0.858
  105    HD2  HIS  45           2HD      HIS  45   0.049   1.342  -1.354
  106    HE1  HIS  45           1HE      HIS  45   3.733   0.663   0.593
  107    H    ILE  46           H        ILE  46  -1.132  -3.912   1.010
  108    HA   ILE  46           HA       ILE  46  -3.873  -4.314   0.164
  109    HB   ILE  46           HB       ILE  46  -3.310  -6.640   0.465
  110   1HG1  ILE  46          2HG1      ILE  46  -0.906  -5.773   2.090
  111   2HG1  ILE  46          1HG1      ILE  46  -2.431  -6.268   2.825
  112   1HG2  ILE  46          1HG2      ILE  46  -1.338  -6.792  -0.839
  113   2HG2  ILE  46          2HG2      ILE  46  -0.651  -5.334  -0.122
  114   3HG2  ILE  46          3HG2      ILE  46  -2.006  -5.210  -1.245
  115   1HD1  ILE  46          1HD1      ILE  46  -0.442  -8.013   2.293
  116   2HD1  ILE  46          2HD1      ILE  46  -1.305  -8.086   0.757
  117   3HD1  ILE  46          3HD1      ILE  46  -2.144  -8.473   2.258
  118    H    TYR  47           H        TYR  47  -2.261  -3.969   3.257
  119    HA   TYR  47           HA       TYR  47  -4.189  -5.123   4.997
  120   1HB   TYR  47          1HB       TYR  47  -1.866  -4.318   5.522
  121   2HB   TYR  47          2HB       TYR  47  -2.463  -2.662   5.406
  122    HD1  TYR  47           1HD      TYR  47  -2.665  -5.825   7.317
  123    HD2  TYR  47           2HD      TYR  47  -3.857  -1.702   7.132
  124    HE1  TYR  47           1HE      TYR  47  -3.452  -5.947   9.665
  125    HE2  TYR  47           2HE      TYR  47  -4.644  -1.825   9.482
  126    HH   TYR  47           HH       TYR  47  -4.222  -4.790  11.407
  127    H    GLU  48           H        GLU  48  -3.888  -1.784   3.792
  128    HA   GLU  48           HA       GLU  48  -6.139  -0.659   5.108
  129   1HB   GLU  48          1HB       GLU  48  -4.173   0.293   3.608
  130   2HB   GLU  48          2HB       GLU  48  -5.348   0.095   2.309
  131   1HG   GLU  48          2HG       GLU  48  -6.992   1.390   3.757
  132   2HG   GLU  48          1HG       GLU  48  -5.633   1.768   4.816
  133    H    THR  49           H        THR  49  -5.858  -2.543   2.125
  134    HA   THR  49           HA       THR  49  -8.428  -2.123   1.009
  135    HB   THR  49           HB       THR  49  -6.773  -4.667   1.115
  136    HG1  THR  49           1HG      THR  49  -6.681  -2.562  -0.775
  137   1HG2  THR  49          1HG2      THR  49  -8.250  -5.504  -0.356
  138   2HG2  THR  49          2HG2      THR  49  -8.061  -4.092  -1.396
  139   3HG2  THR  49          3HG2      THR  49  -9.258  -4.079  -0.101
  140    H    TYR  50           H        TYR  50  -7.366  -4.244   3.643
  141    HA   TYR  50           HA       TYR  50  -9.841  -5.716   3.905
  142   1HB   TYR  50          1HB       TYR  50  -7.539  -5.094   5.780
  143   2HB   TYR  50          2HB       TYR  50  -8.823  -6.239   6.163
  144    HD1  TYR  50           1HD      TYR  50  -5.794  -5.641   4.229
  145    HD2  TYR  50           2HD      TYR  50  -9.124  -8.295   4.777
  146    HE1  TYR  50           1HE      TYR  50  -4.594  -7.405   2.964
  147    HE2  TYR  50           2HE      TYR  50  -7.927 -10.059   3.509
  148    HH   TYR  50           HH       TYR  50  -4.706 -10.031   2.923
  149    H    GLY  51           H        GLY  51  -8.513  -2.828   5.534
  150   1HA   GLY  51          2HA       GLY  51 -11.098  -1.658   5.957
  151   2HA   GLY  51          1HA       GLY  51 -10.559  -2.443   7.441
  152   1HN   NH2  52          1H        GLY  51  -7.846  -1.896   7.511
  153   2HN   NH2  52          2H        GLY  51  -7.576  -0.220   7.540
  Start of MODEL    8
    1   1H    ACE  33          1H        ACE  33  16.930  -0.776   5.780
    2   2H    ACE  33          2H        ACE  33  17.130   0.839   5.101
    3   3H    ACE  33          3H        ACE  33  18.539  -0.064   5.655
    4    H    PHE  34           H        PHE  34  18.081  -2.558   4.530
    5    HA   PHE  34           HA       PHE  34  18.864  -2.117   1.778
    6   1HB   PHE  34          2HB       PHE  34  18.324  -4.410   3.626
    7   2HB   PHE  34          1HB       PHE  34  18.411  -4.747   1.897
    8    HD1  PHE  34           1HD      PHE  34  20.252  -2.612   4.383
    9    HD2  PHE  34           2HD      PHE  34  20.505  -5.385   1.113
   10    HE1  PHE  34           1HE      PHE  34  22.727  -2.507   4.488
   11    HE2  PHE  34           2HE      PHE  34  22.980  -5.282   1.217
   12    HZ   PHE  34           HZ       PHE  34  24.092  -3.843   2.905
   13    HA   PRO  35           HA       PRO  35  14.957  -1.705  -0.189
   14   1HB   PRO  35          2HB       PRO  35  15.389  -3.212  -2.432
   15   2HB   PRO  35          1HB       PRO  35  16.020  -1.568  -2.234
   16   1HG   PRO  35          2HG       PRO  35  17.398  -4.186  -1.897
   17   2HG   PRO  35          1HG       PRO  35  17.997  -2.681  -2.607
   18   1HD   PRO  35          2HD       PRO  35  18.621  -3.513  -0.086
   19   2HD   PRO  35          1HD       PRO  35  18.576  -1.806  -0.572
   20    H    ARG  36           H        ARG  36  16.459  -4.783   0.545
   21    HA   ARG  36           HA       ARG  36  14.461  -6.635  -0.134
   22   1HB   ARG  36          2HB       ARG  36  16.324  -6.429   2.246
   23   2HB   ARG  36          1HB       ARG  36  15.402  -7.884   1.864
   24   1HG   ARG  36          2HG       ARG  36  16.450  -7.810  -0.448
   25   2HG   ARG  36          1HG       ARG  36  17.517  -6.543   0.161
   26   1HD   ARG  36          2HD       ARG  36  17.279  -9.366   1.269
   27   2HD   ARG  36          1HD       ARG  36  18.660  -8.695   0.380
   28    HE   ARG  36           HE       ARG  36  18.227  -6.896   2.465
   29   1HH1  ARG  36          1HH1      ARG  36  20.639  -8.762   2.111
   30   2HH1  ARG  36          2HH1      ARG  36  20.647  -9.575   3.641
   31   1HH2  ARG  36          1HH2      ARG  36  17.428  -8.592   4.478
   32   2HH2  ARG  36          2HH2      ARG  36  18.828  -9.478   4.981
   33    H    ILE  37           H        ILE  37  14.600  -4.454   2.665
   34    HA   ILE  37           HA       ILE  37  12.293  -5.582   4.006
   35    HB   ILE  37           HB       ILE  37  12.594  -3.736   5.487
   36   1HG1  ILE  37          1HG1      ILE  37  14.132  -2.319   3.291
   37   2HG1  ILE  37          2HG1      ILE  37  12.438  -2.005   3.668
   38   1HG2  ILE  37          1HG2      ILE  37  14.653  -4.402   6.109
   39   2HG2  ILE  37          2HG2      ILE  37  15.380  -3.566   4.737
   40   3HG2  ILE  37          3HG2      ILE  37  14.805  -5.224   4.556
   41   1HD1  ILE  37          1HD1      ILE  37  12.950  -1.136   5.801
   42   2HD1  ILE  37          2HD1      ILE  37  14.225  -0.483   4.772
   43   3HD1  ILE  37          3HD1      ILE  37  14.554  -1.869   5.812
   44    H    TRP  38           H        TRP  38  12.632  -3.677   1.204
   45    HA   TRP  38           HA       TRP  38  10.377  -1.941   1.323
   46   1HB   TRP  38          2HB       TRP  38  12.243  -1.967  -0.354
   47   2HB   TRP  38          1HB       TRP  38  11.539  -3.425  -1.055
   48    HD1  TRP  38           HD       TRP  38  10.915   0.315  -0.644
   49    HE1  TRP  38           1HE      TRP  38   9.092   1.042  -2.317
   50    HE3  TRP  38           3HE      TRP  38   9.485  -4.249  -2.431
   51    HZ2  TRP  38           2HZ      TRP  38   7.270  -0.154  -4.167
   52    HZ3  TRP  38           3HZ      TRP  38   7.705  -4.427  -4.145
   53    HH2  TRP  38           HH       TRP  38   6.596  -2.387  -5.015
   54    H    LEU  39           H        LEU  39  10.618  -5.397   0.755
   55    HA   LEU  39           HA       LEU  39   8.023  -5.774  -0.447
   56   1HB   LEU  39          2HB       LEU  39  10.067  -7.470   0.973
   57   2HB   LEU  39          1HB       LEU  39   8.524  -8.165   0.475
   58    HG   LEU  39           HG       LEU  39   8.982  -7.274  -1.849
   59   1HD1  LEU  39          1HD2      LEU  39  11.462  -6.816  -2.262
   60   2HD1  LEU  39          2HD2      LEU  39  11.626  -6.655  -0.513
   61   3HD1  LEU  39          3HD2      LEU  39  10.579  -5.551  -1.408
   62   1HD2  LEU  39          1HD1      LEU  39   9.377  -9.623  -1.345
   63   2HD2  LEU  39          2HD1      LEU  39  10.945  -9.241  -0.633
   64   3HD2  LEU  39          3HD1      LEU  39  10.690  -9.034  -2.366
   65    H    HIS  40           H        HIS  40   9.197  -5.746   2.895
   66    HA   HIS  40           HA       HIS  40   6.850  -6.757   4.168
   67   1HB   HIS  40          2HB       HIS  40   9.003  -4.793   5.017
   68   2HB   HIS  40          1HB       HIS  40   7.825  -5.488   6.131
   69    HD1  HIS  40           1HD      HIS  40  10.642  -6.532   3.810
   70    HD2  HIS  40           2HD      HIS  40   8.402  -8.098   6.958
   71    HE1  HIS  40           1HE      HIS  40  11.729  -8.732   4.438
   72    H    ASN  41           H        ASN  41   7.749  -3.496   3.097
   73    HA   ASN  41           HA       ASN  41   5.618  -2.041   4.315
   74   1HB   ASN  41          1HB       ASN  41   7.208  -1.688   1.758
   75   2HB   ASN  41          2HB       ASN  41   6.135  -0.449   2.408
   76   1HD2  ASN  41          1HD2      ASN  41   9.012  -0.109   2.147
   77   2HD2  ASN  41          2HD2      ASN  41   9.649   0.057   3.711
   78    H    LEU  42           H        LEU  42   5.847  -3.732   1.190
   79    HA   LEU  42           HA       LEU  42   3.424  -2.964  -0.004
   80   1HB   LEU  42          2HB       LEU  42   5.253  -4.393  -0.951
   81   2HB   LEU  42          1HB       LEU  42   4.687  -5.725   0.058
   82    HG   LEU  42           HG       LEU  42   2.377  -5.290  -1.037
   83   1HD1  LEU  42          1HD1      LEU  42   2.996  -4.467  -3.515
   84   2HD1  LEU  42          2HD1      LEU  42   4.222  -3.565  -2.625
   85   3HD1  LEU  42          3HD1      LEU  42   2.513  -3.336  -2.251
   86   1HD2  LEU  42          1HD2      LEU  42   4.271  -6.271  -3.111
   87   2HD2  LEU  42          2HD2      LEU  42   2.817  -7.031  -2.465
   88   3HD2  LEU  42          3HD2      LEU  42   4.322  -7.085  -1.547
   89    H    GLY  43           H        GLY  43   3.993  -5.374   2.543
   90   1HA   GLY  43          1HA       GLY  43   1.312  -6.436   2.537
   91   2HA   GLY  43          2HA       GLY  43   2.485  -6.622   3.840
   92    H    GLN  44           H        GLN  44   2.479  -3.414   3.428
   93    HA   GLN  44           HA       GLN  44   0.572  -2.999   5.652
   94   1HB   GLN  44          2HB       GLN  44   2.589  -1.249   4.213
   95   2HB   GLN  44          1HB       GLN  44   1.633  -0.713   5.592
   96   1HG   GLN  44          2HG       GLN  44   2.597  -2.485   6.983
   97   2HG   GLN  44          1HG       GLN  44   3.507  -3.098   5.603
   98   1HE2  GLN  44          1HE2      GLN  44   4.830  -2.190   7.984
   99   2HE2  GLN  44          2HE2      GLN  44   5.702  -0.783   7.607
  100    H    HIS  45           H        HIS  45   0.707  -2.574   2.205
  101    HA   HIS  45           HA       HIS  45  -1.390  -0.500   2.179
  102   1HB   HIS  45          2HB       HIS  45  -0.849  -0.331  -0.090
  103   2HB   HIS  45          1HB       HIS  45   0.671  -0.908   0.586
  104    HD1  HIS  45           1HD      HIS  45   1.625  -2.856  -0.633
  105    HD2  HIS  45           2HD      HIS  45  -2.531  -2.748  -0.949
  106    HE1  HIS  45           1HE      HIS  45   0.965  -4.794  -2.128
  107    H    ILE  46           H        ILE  46  -1.125  -3.999   1.796
  108    HA   ILE  46           HA       ILE  46  -3.677  -4.452   0.548
  109    HB   ILE  46           HB       ILE  46  -3.234  -6.734   1.074
  110   1HG1  ILE  46          2HG1      ILE  46  -1.314  -5.864   3.247
  111   2HG1  ILE  46          1HG1      ILE  46  -3.004  -6.253   3.569
  112   1HG2  ILE  46          1HG2      ILE  46  -1.141  -5.036   0.178
  113   2HG2  ILE  46          2HG2      ILE  46  -1.358  -6.753  -0.158
  114   3HG2  ILE  46          3HG2      ILE  46  -0.411  -6.241   1.238
  115   1HD1  ILE  46          1HD1      ILE  46  -1.052  -8.129   2.208
  116   2HD1  ILE  46          2HD1      ILE  46  -2.707  -8.500   2.689
  117   3HD1  ILE  46          3HD1      ILE  46  -1.478  -8.203   3.917
  118    H    TYR  47           H        TYR  47  -2.700  -3.786   3.843
  119    HA   TYR  47           HA       TYR  47  -5.000  -4.757   5.240
  120   1HB   TYR  47          2HB       TYR  47  -2.829  -4.067   6.233
  121   2HB   TYR  47          1HB       TYR  47  -3.176  -2.394   5.797
  122    HD1  TYR  47           1HD      TYR  47  -4.868  -1.104   6.983
  123    HD2  TYR  47           2HD      TYR  47  -4.102  -5.207   7.995
  124    HE1  TYR  47           1HE      TYR  47  -6.159  -0.827   9.081
  125    HE2  TYR  47           2HE      TYR  47  -5.395  -4.931  10.094
  126    HH   TYR  47           HH       TYR  47  -6.177  -1.993  11.392
  127    H    GLU  48           H        GLU  48  -4.304  -1.642   3.685
  128    HA   GLU  48           HA       GLU  48  -6.685  -0.277   4.517
  129   1HB   GLU  48          2HB       GLU  48  -4.876  -0.003   2.092
  130   2HB   GLU  48          1HB       GLU  48  -6.074   1.198   2.578
  131   1HG   GLU  48          2HG       GLU  48  -4.939   1.426   4.769
  132   2HG   GLU  48          1HG       GLU  48  -3.728   0.251   4.255
  133    H    THR  49           H        THR  49  -5.961  -2.489   1.863
  134    HA   THR  49           HA       THR  49  -8.226  -2.062   0.210
  135    HB   THR  49           HB       THR  49  -6.780  -4.643   0.906
  136    HG1  THR  49           1HG      THR  49  -5.698  -3.895  -1.164
  137   1HG2  THR  49          1HG2      THR  49  -7.745  -4.141  -1.836
  138   2HG2  THR  49          2HG2      THR  49  -9.021  -4.341  -0.634
  139   3HG2  THR  49          3HG2      THR  49  -7.820  -5.612  -0.867
  140    H    TYR  50           H        TYR  50  -7.833  -3.934   3.192
  141    HA   TYR  50           HA       TYR  50 -10.400  -5.246   3.137
  142   1HB   TYR  50          1HB       TYR  50  -8.465  -4.466   5.340
  143   2HB   TYR  50          2HB       TYR  50  -9.864  -5.505   5.601
  144    HD1  TYR  50           1HD      TYR  50 -10.024  -7.708   4.439
  145    HD2  TYR  50           2HD      TYR  50  -6.491  -5.273   4.235
  146    HE1  TYR  50           1HE      TYR  50  -8.720  -9.664   3.646
  147    HE2  TYR  50           2HE      TYR  50  -5.189  -7.228   3.441
  148    HH   TYR  50           HH       TYR  50  -5.338  -9.708   3.570
  149    H    GLY  51           H        GLY  51  -9.233  -2.204   4.585
  150   1HA   GLY  51          2HA       GLY  51 -10.423  -0.328   5.343
  151   2HA   GLY  51          1HA       GLY  51 -11.767  -0.894   4.351
  152   1HN   NH2  52          1H        GLY  51 -10.303  -2.762   7.013
  153   2HN   NH2  52          2H        GLY  51 -11.675  -2.732   8.012
  Start of MODEL    9
    1   1H    ACE  33          1H        ACE  33  18.743  -7.955   2.729
    2   2H    ACE  33          2H        ACE  33  20.024  -7.353   3.781
    3   3H    ACE  33          3H        ACE  33  19.925  -6.804   2.108
    4    H    PHE  34           H        PHE  34  19.972  -4.665   3.418
    5    HA   PHE  34           HA       PHE  34  17.943  -3.677   5.041
    6   1HB   PHE  34          2HB       PHE  34  19.838  -2.632   3.024
    7   2HB   PHE  34          1HB       PHE  34  18.484  -1.563   3.397
    8    HD1  PHE  34           1HD      PHE  34  21.748  -2.188   4.271
    9    HD2  PHE  34           2HD      PHE  34  17.895  -1.719   6.110
   10    HE1  PHE  34           1HE      PHE  34  22.843  -1.544   6.400
   11    HE2  PHE  34           2HE      PHE  34  18.990  -1.075   8.241
   12    HZ   PHE  34           HZ       PHE  34  21.464  -0.988   8.385
   13    HA   PRO  35           HA       PRO  35  15.349  -2.520   1.178
   14   1HB   PRO  35          2HB       PRO  35  15.776  -3.974  -1.099
   15   2HB   PRO  35          1HB       PRO  35  16.564  -2.418  -0.778
   16   1HG   PRO  35          2HG       PRO  35  17.624  -5.183  -0.477
   17   2HG   PRO  35          1HG       PRO  35  18.432  -3.724  -1.069
   18   1HD   PRO  35          2HD       PRO  35  18.778  -4.726   1.436
   19   2HD   PRO  35          1HD       PRO  35  18.951  -3.005   1.042
   20    H    ARG  36           H        ARG  36  16.293  -5.596   2.313
   21    HA   ARG  36           HA       ARG  36  14.279  -7.309   1.247
   22   1HB   ARG  36          2HB       ARG  36  16.278  -7.992   2.556
   23   2HB   ARG  36          1HB       ARG  36  15.569  -7.259   3.995
   24   1HG   ARG  36          2HG       ARG  36  13.596  -8.784   3.731
   25   2HG   ARG  36          1HG       ARG  36  14.441  -9.583   2.406
   26   1HD   ARG  36          2HD       ARG  36  15.475  -9.356   5.257
   27   2HD   ARG  36          1HD       ARG  36  14.797 -10.820   4.519
   28    HE   ARG  36           HE       ARG  36  17.249  -9.436   3.475
   29   1HH1  ARG  36          1HH1      ARG  36  17.402 -11.902   5.278
   30   2HH1  ARG  36          2HH1      ARG  36  17.619 -13.156   4.103
   31   1HH2  ARG  36          1HH2      ARG  36  16.622 -11.187   1.428
   32   2HH2  ARG  36          2HH2      ARG  36  17.177 -12.752   1.924
   33    H    ILE  37           H        ILE  37  14.201  -4.920   3.838
   34    HA   ILE  37           HA       ILE  37  11.656  -5.719   4.963
   35    HB   ILE  37           HB       ILE  37  11.909  -3.694   6.219
   36   1HG1  ILE  37          1HG1      ILE  37  13.865  -2.764   4.095
   37   2HG1  ILE  37          2HG1      ILE  37  12.190  -2.223   4.215
   38   1HG2  ILE  37          1HG2      ILE  37  14.024  -4.020   7.142
   39   2HG2  ILE  37          2HG2      ILE  37  14.784  -4.258   5.568
   40   3HG2  ILE  37          3HG2      ILE  37  13.798  -5.538   6.272
   41   1HD1  ILE  37          1HD1      ILE  37  14.302  -1.905   6.371
   42   2HD1  ILE  37          2HD1      ILE  37  12.629  -1.360   6.486
   43   3HD1  ILE  37          3HD1      ILE  37  13.719  -0.621   5.312
   44    H    TRP  38           H        TRP  38  12.538  -4.090   2.068
   45    HA   TRP  38           HA       TRP  38  10.391  -2.269   1.711
   46   1HB   TRP  38          2HB       TRP  38  12.301  -2.265   0.263
   47   2HB   TRP  38          1HB       TRP  38  12.058  -3.957  -0.166
   48    HD1  TRP  38           HD       TRP  38  11.754  -3.524  -2.727
   49    HE1  TRP  38           1HE      TRP  38   9.860  -2.472  -4.123
   50    HE3  TRP  38           3HE      TRP  38   9.055  -1.266   0.986
   51    HZ2  TRP  38           2HZ      TRP  38   7.518  -0.887  -3.722
   52    HZ3  TRP  38           3HZ      TRP  38   7.004   0.007   0.445
   53    HH2  TRP  38           HH       TRP  38   6.230   0.199  -1.902
   54    H    LEU  39           H        LEU  39  10.502  -5.774   1.443
   55    HA   LEU  39           HA       LEU  39   8.040  -6.065  -0.060
   56   1HB   LEU  39          2HB       LEU  39   9.873  -7.752   0.122
   57   2HB   LEU  39          1HB       LEU  39   9.473  -7.966   1.827
   58    HG   LEU  39           HG       LEU  39   7.290  -8.820   1.288
   59   1HD1  LEU  39          1HD2      LEU  39   7.955  -7.843  -1.494
   60   2HD1  LEU  39          2HD2      LEU  39   6.579  -7.400  -0.484
   61   3HD1  LEU  39          3HD2      LEU  39   6.666  -9.011  -1.199
   62   1HD2  LEU  39          1HD1      LEU  39   7.857 -10.747  -0.207
   63   2HD2  LEU  39          2HD1      LEU  39   9.059 -10.479   1.055
   64   3HD2  LEU  39          3HD1      LEU  39   9.382  -9.950  -0.597
   65    H    HIS  40           H        HIS  40   8.854  -5.706   3.340
   66    HA   HIS  40           HA       HIS  40   6.366  -6.610   4.465
   67   1HB   HIS  40          2HB       HIS  40   8.452  -4.609   5.400
   68   2HB   HIS  40          1HB       HIS  40   7.205  -5.310   6.432
   69    HD1  HIS  40           1HD      HIS  40   7.532  -8.180   4.860
   70    HD2  HIS  40           2HD      HIS  40  10.470  -6.033   6.896
   71    HE1  HIS  40           1HE      HIS  40   9.325  -9.849   5.501
   72    H    ASN  41           H        ASN  41   7.502  -3.432   3.327
   73    HA   ASN  41           HA       ASN  41   5.335  -1.834   4.232
   74   1HB   ASN  41          2HB       ASN  41   7.126  -1.705   1.787
   75   2HB   ASN  41          1HB       ASN  41   6.070  -0.385   2.289
   76   1HD2  ASN  41          1HD2      ASN  41   8.798   0.158   2.269
   77   2HD2  ASN  41          2HD2      ASN  41   9.397   0.230   3.855
   78    H    LEU  42           H        LEU  42   5.726  -3.672   1.194
   79    HA   LEU  42           HA       LEU  42   3.389  -2.889  -0.159
   80   1HB   LEU  42          2HB       LEU  42   5.245  -4.341  -0.983
   81   2HB   LEU  42          1HB       LEU  42   4.637  -5.649   0.032
   82    HG   LEU  42           HG       LEU  42   2.405  -5.368  -1.176
   83   1HD1  LEU  42          1HD1      LEU  42   2.406  -4.202  -3.292
   84   2HD1  LEU  42          2HD1      LEU  42   4.136  -3.882  -3.172
   85   3HD1  LEU  42          3HD1      LEU  42   3.013  -3.084  -2.070
   86   1HD2  LEU  42          1HD2      LEU  42   4.917  -6.545  -2.137
   87   2HD2  LEU  42          2HD2      LEU  42   3.747  -6.259  -3.425
   88   3HD2  LEU  42          3HD2      LEU  42   3.307  -7.260  -2.041
   89    H    GLY  43           H        GLY  43   3.777  -5.270   2.454
   90   1HA   GLY  43          1HA       GLY  43   1.133  -6.358   2.323
   91   2HA   GLY  43          2HA       GLY  43   2.173  -6.395   3.747
   92    H    GLN  44           H        GLN  44   2.422  -3.410   3.705
   93    HA   GLN  44           HA       GLN  44   0.182  -2.806   5.426
   94   1HB   GLN  44          2HB       GLN  44   2.335  -1.138   4.094
   95   2HB   GLN  44          1HB       GLN  44   1.236  -0.517   5.327
   96   1HG   GLN  44          2HG       GLN  44   3.202  -2.805   5.647
   97   2HG   GLN  44          1HG       GLN  44   3.315  -1.213   6.396
   98   1HE2  GLN  44          1HE2      GLN  44   2.594  -4.272   7.248
   99   2HE2  GLN  44          2HE2      GLN  44   1.382  -4.003   8.405
  100    H    HIS  45           H        HIS  45   0.848  -2.304   2.003
  101    HA   HIS  45           HA       HIS  45  -1.226  -0.344   1.529
  102   1HB   HIS  45          2HB       HIS  45   0.213  -2.357  -0.231
  103   2HB   HIS  45          1HB       HIS  45  -0.832  -1.078  -0.852
  104    HD1  HIS  45           1HD      HIS  45   2.469  -1.630   0.875
  105    HD2  HIS  45           2HD      HIS  45   0.283   1.530  -0.742
  106    HE1  HIS  45           1HE      HIS  45   4.033   0.361   0.807
  107    H    ILE  46           H        ILE  46  -1.085  -3.883   0.939
  108    HA   ILE  46           HA       ILE  46  -3.837  -4.132   0.148
  109    HB   ILE  46           HB       ILE  46  -3.388  -6.496   0.379
  110   1HG1  ILE  46          2HG1      ILE  46  -0.940  -5.787   2.015
  111   2HG1  ILE  46          1HG1      ILE  46  -2.484  -6.233   2.743
  112   1HG2  ILE  46          1HG2      ILE  46  -0.653  -6.128  -0.240
  113   2HG2  ILE  46          2HG2      ILE  46  -1.483  -4.678  -0.807
  114   3HG2  ILE  46          3HG2      ILE  46  -1.996  -6.268  -1.375
  115   1HD1  ILE  46          1HD1      ILE  46  -1.601  -8.074   0.625
  116   2HD1  ILE  46          2HD1      ILE  46  -2.218  -8.430   2.238
  117   3HD1  ILE  46          3HD1      ILE  46  -0.517  -8.020   2.015
  118    H    TYR  47           H        TYR  47  -2.217  -3.953   3.246
  119    HA   TYR  47           HA       TYR  47  -4.156  -5.087   4.972
  120   1HB   TYR  47          2HB       TYR  47  -1.821  -4.272   5.486
  121   2HB   TYR  47          1HB       TYR  47  -2.443  -2.623   5.417
  122    HD1  TYR  47           1HD      TYR  47  -3.850  -1.730   7.171
  123    HD2  TYR  47           2HD      TYR  47  -2.567  -5.829   7.253
  124    HE1  TYR  47           1HE      TYR  47  -4.611  -1.921   9.524
  125    HE2  TYR  47           2HE      TYR  47  -3.328  -6.020   9.606
  126    HH   TYR  47           HH       TYR  47  -5.395  -3.971  11.041
  127    H    GLU  48           H        GLU  48  -3.836  -1.739   3.805
  128    HA   GLU  48           HA       GLU  48  -6.102  -0.623   5.107
  129   1HB   GLU  48          2HB       GLU  48  -4.116   0.364   3.682
  130   2HB   GLU  48          1HB       GLU  48  -5.230   0.151   2.331
  131   1HG   GLU  48          1HG       GLU  48  -6.952   1.416   3.740
  132   2HG   GLU  48          2HG       GLU  48  -5.615   1.842   4.809
  133    H    THR  49           H        THR  49  -5.779  -2.447   2.090
  134    HA   THR  49           HA       THR  49  -8.337  -2.006   0.954
  135    HB   THR  49           HB       THR  49  -6.672  -4.546   1.027
  136    HG1  THR  49           1HG      THR  49  -5.526  -3.655  -0.594
  137   1HG2  THR  49          1HG2      THR  49  -7.687  -4.933  -1.201
  138   2HG2  THR  49          2HG2      THR  49  -8.677  -3.490  -0.984
  139   3HG2  THR  49          3HG2      THR  49  -8.902  -4.883   0.076
  140    H    TYR  50           H        TYR  50  -7.308  -4.155   3.573
  141    HA   TYR  50           HA       TYR  50  -9.780  -5.646   3.783
  142   1HB   TYR  50          1HB       TYR  50  -7.502  -5.030   5.689
  143   2HB   TYR  50          2HB       TYR  50  -8.786  -6.182   6.053
  144    HD1  TYR  50           1HD      TYR  50  -9.067  -8.233   4.658
  145    HD2  TYR  50           2HD      TYR  50  -5.754  -5.552   4.137
  146    HE1  TYR  50           1HE      TYR  50  -7.857  -9.977   3.374
  147    HE2  TYR  50           2HE      TYR  50  -4.543  -7.294   2.852
  148    HH   TYR  50           HH       TYR  50  -5.905 -10.553   2.446
  149    H    GLY  51           H        GLY  51  -8.473  -2.803   5.515
  150   1HA   GLY  51          1HA       GLY  51 -10.370  -1.063   5.886
  151   2HA   GLY  51          2HA       GLY  51 -11.178  -2.393   6.714
  152   1HN   NH2  52          1H        GLY  51 -11.075  -1.018   8.714
  153   2HN   NH2  52          2H        GLY  51  -9.626  -0.941   9.596
  Start of MODEL   10
    1   1H    ACE  33          1H        ACE  33  21.495  -2.242   4.778
    2   2H    ACE  33          2H        ACE  33  20.005  -1.320   4.570
    3   3H    ACE  33          3H        ACE  33  20.831  -1.992   3.164
    4    H    PHE  34           H        PHE  34  18.071  -2.432   4.524
    5    HA   PHE  34           HA       PHE  34  18.217  -5.429   4.493
    6   1HB   PHE  34          2HB       PHE  34  16.553  -3.565   6.216
    7   2HB   PHE  34          1HB       PHE  34  16.433  -5.324   6.234
    8    HD1  PHE  34           1HD      PHE  34  18.971  -2.581   6.569
    9    HD2  PHE  34           2HD      PHE  34  17.772  -6.546   7.711
   10    HE1  PHE  34           1HE      PHE  34  20.869  -2.696   8.163
   11    HE2  PHE  34           2HE      PHE  34  19.669  -6.660   9.305
   12    HZ   PHE  34           HZ       PHE  34  21.217  -4.735   9.530
   13    HA   PRO  35           HA       PRO  35  15.308  -3.592   1.284
   14   1HB   PRO  35          2HB       PRO  35  15.914  -5.453  -0.629
   15   2HB   PRO  35          1HB       PRO  35  16.798  -3.925  -0.448
   16   1HG   PRO  35          2HG       PRO  35  17.525  -6.664   0.475
   17   2HG   PRO  35          1HG       PRO  35  18.549  -5.401  -0.224
   18   1HD   PRO  35          2HD       PRO  35  18.446  -5.944   2.443
   19   2HD   PRO  35          1HD       PRO  35  18.828  -4.339   1.787
   20    H    ARG  36           H        ARG  36  15.891  -6.614   2.862
   21    HA   ARG  36           HA       ARG  36  13.773  -8.213   1.818
   22   1HB   ARG  36          2HB       ARG  36  15.051  -8.056   4.564
   23   2HB   ARG  36          1HB       ARG  36  14.051  -9.397   4.004
   24   1HG   ARG  36          2HG       ARG  36  15.638  -9.750   2.116
   25   2HG   ARG  36          1HG       ARG  36  16.658  -8.465   2.765
   26   1HD   ARG  36          2HD       ARG  36  15.918 -11.038   4.210
   27   2HD   ARG  36          1HD       ARG  36  17.508 -10.642   3.529
   28    HE   ARG  36           HE       ARG  36  16.900  -8.471   5.161
   29   1HH1  ARG  36          1HH2      ARG  36  15.510 -11.016   6.467
   30   2HH1  ARG  36          2HH2      ARG  36  16.662 -11.333   7.721
   31   1HH2  ARG  36          1HH1      ARG  36  19.087  -9.247   6.381
   32   2HH2  ARG  36          2HH1      ARG  36  18.688 -10.332   7.672
   33    H    ILE  37           H        ILE  37  13.800  -5.706   4.325
   34    HA   ILE  37           HA       ILE  37  11.108  -6.234   5.268
   35    HB   ILE  37           HB       ILE  37  11.478  -4.294   6.593
   36   1HG1  ILE  37          1HG1      ILE  37  13.604  -3.430   4.612
   37   2HG1  ILE  37          2HG1      ILE  37  11.958  -2.801   4.632
   38   1HG2  ILE  37          1HG2      ILE  37  13.201  -6.245   6.753
   39   2HG2  ILE  37          2HG2      ILE  37  13.565  -4.728   7.576
   40   3HG2  ILE  37          3HG2      ILE  37  14.325  -5.096   6.029
   41   1HD1  ILE  37          1HD1      ILE  37  14.193  -2.330   6.551
   42   2HD1  ILE  37          2HD1      ILE  37  12.562  -2.417   7.216
   43   3HD1  ILE  37          3HD1      ILE  37  12.948  -1.219   5.981
   44    H    TRP  38           H        TRP  38  12.341  -4.762   2.432
   45    HA   TRP  38           HA       TRP  38  10.462  -2.700   1.927
   46   1HB   TRP  38          2HB       TRP  38  12.416  -2.981   0.565
   47   2HB   TRP  38          1HB       TRP  38  11.971  -4.638   0.159
   48    HD1  TRP  38           HD       TRP  38  11.829  -4.225  -2.422
   49    HE1  TRP  38           1HE      TRP  38  10.145  -2.972  -3.914
   50    HE3  TRP  38           3HE      TRP  38   9.291  -1.563   1.134
   51    HZ2  TRP  38           2HZ      TRP  38   8.011  -1.092  -3.643
   52    HZ3  TRP  38           3HZ      TRP  38   7.445  -0.050   0.485
   53    HH2  TRP  38           HH       TRP  38   6.800   0.189  -1.897
   54    H    LEU  39           H        LEU  39  10.170  -6.207   1.638
   55    HA   LEU  39           HA       LEU  39   7.736  -6.213   0.080
   56   1HB   LEU  39          2HB       LEU  39   9.337  -8.110   0.343
   57   2HB   LEU  39          1HB       LEU  39   8.860  -8.247   2.034
   58    HG   LEU  39           HG       LEU  39   6.627  -8.875   1.452
   59   1HD1  LEU  39          1HD2      LEU  39   7.411  -7.815  -1.252
   60   2HD1  LEU  39          2HD2      LEU  39   5.978  -7.451  -0.290
   61   3HD1  LEU  39          3HD2      LEU  39   6.113  -9.002  -1.118
   62   1HD2  LEU  39          1HD1      LEU  39   7.780 -10.402  -0.759
   63   2HD2  LEU  39          2HD1      LEU  39   7.181 -10.969   0.800
   64   3HD2  LEU  39          3HD1      LEU  39   8.835 -10.372   0.654
   65    H    HIS  40           H        HIS  40   8.471  -5.960   3.515
   66    HA   HIS  40           HA       HIS  40   5.870  -6.512   4.572
   67   1HB   HIS  40          2HB       HIS  40   8.168  -4.746   5.471
   68   2HB   HIS  40          1HB       HIS  40   6.780  -5.129   6.490
   69    HD1  HIS  40           1HD      HIS  40   9.702  -6.065   7.177
   70    HD2  HIS  40           2HD      HIS  40   6.850  -8.403   5.233
   71    HE1  HIS  40           1HE      HIS  40  10.375  -8.478   7.556
   72    H    ASN  41           H        ASN  41   7.426  -3.453   3.571
   73    HA   ASN  41           HA       ASN  41   5.370  -1.634   4.198
   74   1HB   ASN  41          2HB       ASN  41   7.760  -1.373   3.171
   75   2HB   ASN  41          1HB       ASN  41   6.938  -1.539   1.620
   76   1HD2  ASN  41          1HD2      ASN  41   8.155   0.908   2.106
   77   2HD2  ASN  41          2HD2      ASN  41   6.988   2.096   2.433
   78    H    LEU  42           H        LEU  42   5.821  -3.526   1.196
   79    HA   LEU  42           HA       LEU  42   3.543  -2.650  -0.231
   80   1HB   LEU  42          2HB       LEU  42   5.433  -4.093  -1.028
   81   2HB   LEU  42          1HB       LEU  42   4.759  -5.429  -0.095
   82    HG   LEU  42           HG       LEU  42   2.595  -5.081  -1.394
   83   1HD1  LEU  42          1HD1      LEU  42   2.587  -3.731  -3.332
   84   2HD1  LEU  42          2HD1      LEU  42   4.346  -3.616  -3.365
   85   3HD1  LEU  42          3HD1      LEU  42   3.429  -2.738  -2.142
   86   1HD2  LEU  42          1HD2      LEU  42   3.770  -6.009  -3.585
   87   2HD2  LEU  42          2HD2      LEU  42   3.750  -6.967  -2.103
   88   3HD2  LEU  42          3HD2      LEU  42   5.189  -6.047  -2.540
   89    H    GLY  43           H        GLY  43   3.858  -5.103   2.317
   90   1HA   GLY  43          1HA       GLY  43   1.216  -6.186   2.101
   91   2HA   GLY  43          2HA       GLY  43   2.224  -6.257   3.547
   92    H    GLN  44           H        GLN  44   2.502  -3.307   3.650
   93    HA   GLN  44           HA       GLN  44   0.260  -2.697   5.331
   94   1HB   GLN  44          2HB       GLN  44   2.302  -0.945   3.923
   95   2HB   GLN  44          1HB       GLN  44   1.271  -0.417   5.253
   96   1HG   GLN  44          2HG       GLN  44   2.260  -2.107   6.725
   97   2HG   GLN  44          1HG       GLN  44   3.239  -2.723   5.394
   98   1HE2  GLN  44          1HE2      GLN  44   4.453  -1.712   7.783
   99   2HE2  GLN  44          2HE2      GLN  44   5.284  -0.283   7.399
  100    H    HIS  45           H        HIS  45   0.869  -2.247   1.899
  101    HA   HIS  45           HA       HIS  45  -1.245  -0.335   1.401
  102   1HB   HIS  45          2HB       HIS  45   0.190  -2.362  -0.348
  103   2HB   HIS  45          1HB       HIS  45  -0.831  -1.062  -0.962
  104    HD1  HIS  45           1HD      HIS  45   2.417  -1.637   0.897
  105    HD2  HIS  45           2HD      HIS  45   0.384   1.472  -0.997
  106    HE1  HIS  45           1HE      HIS  45   4.035   0.309   0.775
  107    H    ILE  46           H        ILE  46  -1.029  -3.890   0.993
  108    HA   ILE  46           HA       ILE  46  -3.791  -4.191   0.179
  109    HB   ILE  46           HB       ILE  46  -3.268  -6.535   0.311
  110   1HG1  ILE  46          2HG1      ILE  46  -0.835  -5.854   1.977
  111   2HG1  ILE  46          1HG1      ILE  46  -2.373  -6.331   2.694
  112   1HG2  ILE  46          1HG2      ILE  46  -1.493  -6.580  -1.156
  113   2HG2  ILE  46          2HG2      ILE  46  -0.509  -5.504  -0.163
  114   3HG2  ILE  46          3HG2      ILE  46  -1.801  -4.844  -1.167
  115   1HD1  ILE  46          1HD1      ILE  46  -0.507  -7.952   0.976
  116   2HD1  ILE  46          2HD1      ILE  46  -2.221  -8.361   1.052
  117   3HD1  ILE  46          3HD1      ILE  46  -1.244  -8.379   2.520
  118    H    TYR  47           H        TYR  47  -2.115  -4.119   3.274
  119    HA   TYR  47           HA       TYR  47  -4.083  -5.319   4.940
  120   1HB   TYR  47          2HB       TYR  47  -1.761  -4.718   5.574
  121   2HB   TYR  47          1HB       TYR  47  -2.188  -3.009   5.478
  122    HD1  TYR  47           1HD      TYR  47  -3.640  -1.972   7.147
  123    HD2  TYR  47           2HD      TYR  47  -2.629  -6.141   7.368
  124    HE1  TYR  47           1HE      TYR  47  -4.498  -2.058   9.473
  125    HE2  TYR  47           2HE      TYR  47  -3.487  -6.226   9.693
  126    HH   TYR  47           HH       TYR  47  -5.295  -3.622  11.080
  127    H    GLU  48           H        GLU  48  -3.745  -1.991   3.755
  128    HA   GLU  48           HA       GLU  48  -5.927  -0.878   5.277
  129   1HB   GLU  48          2HB       GLU  48  -4.574  -0.096   2.673
  130   2HB   GLU  48          1HB       GLU  48  -5.689   0.945   3.559
  131   1HG   GLU  48          2HG       GLU  48  -4.204   0.859   5.530
  132   2HG   GLU  48          1HG       GLU  48  -3.090  -0.183   4.645
  133    H    THR  49           H        THR  49  -5.680  -2.554   2.186
  134    HA   THR  49           HA       THR  49  -8.223  -1.904   1.080
  135    HB   THR  49           HB       THR  49  -6.636  -4.490   0.936
  136    HG1  THR  49           1HG      THR  49  -6.037  -3.178  -1.113
  137   1HG2  THR  49          1HG2      THR  49  -8.956  -3.367  -0.535
  138   2HG2  THR  49          2HG2      THR  49  -8.504  -5.049  -0.258
  139   3HG2  THR  49          3HG2      THR  49  -7.702  -4.117  -1.522
  140    H    TYR  50           H        TYR  50  -7.241  -4.407   3.408
  141    HA   TYR  50           HA       TYR  50  -9.762  -5.782   3.543
  142   1HB   TYR  50          2HB       TYR  50  -7.475  -5.410   5.505
  143   2HB   TYR  50          1HB       TYR  50  -8.776  -6.578   5.723
  144    HD1  TYR  50           1HD      TYR  50  -5.639  -5.870   4.076
  145    HD2  TYR  50           2HD      TYR  50  -9.131  -8.366   3.949
  146    HE1  TYR  50           1HE      TYR  50  -4.435  -7.478   2.623
  147    HE2  TYR  50           2HE      TYR  50  -7.927  -9.975   2.494
  148    HH   TYR  50           HH       TYR  50  -5.839 -10.588   1.766
  149    H    GLY  51           H        GLY  51  -8.367  -3.102   5.444
  150   1HA   GLY  51          2HA       GLY  51 -10.241  -2.769   7.452
  151   2HA   GLY  51          1HA       GLY  51  -9.496  -1.399   6.629
  152   1HN   NH2  52          1H        GLY  51 -12.433  -2.149   7.546
  153   2HN   NH2  52          2H        GLY  51 -13.360  -1.717   6.190
  Start of MODEL   11
    1   1H    ACE  33          1H        ACE  33  20.494  -1.061   3.770
    2   2H    ACE  33          2H        ACE  33  21.700  -1.830   4.802
    3   3H    ACE  33          3H        ACE  33  20.129  -1.381   5.465
    4    H    PHE  34           H        PHE  34  18.284  -2.671   4.899
    5    HA   PHE  34           HA       PHE  34  18.941  -5.280   3.573
    6   1HB   PHE  34          2HB       PHE  34  18.483  -4.835   6.255
    7   2HB   PHE  34          1HB       PHE  34  16.879  -5.288   5.675
    8    HD1  PHE  34           1HD      PHE  34  20.282  -6.367   4.545
    9    HD2  PHE  34           2HD      PHE  34  16.536  -7.528   6.296
   10    HE1  PHE  34           1HE      PHE  34  20.983  -8.744   4.467
   11    HE2  PHE  34           2HE      PHE  34  17.237  -9.905   6.219
   12    HZ   PHE  34           HZ       PHE  34  19.460 -10.513   5.305
   13    HA   PRO  35           HA       PRO  35  15.326  -2.955   1.647
   14   1HB   PRO  35          2HB       PRO  35  15.873  -3.858  -0.877
   15   2HB   PRO  35          1HB       PRO  35  16.567  -2.368  -0.212
   16   1HG   PRO  35          2HG       PRO  35  17.777  -5.078  -0.473
   17   2HG   PRO  35          1HG       PRO  35  18.510  -3.488  -0.728
   18   1HD   PRO  35          2HD       PRO  35  18.883  -4.970   1.528
   19   2HD   PRO  35          1HD       PRO  35  18.953  -3.197   1.500
   20    H    ARG  36           H        ARG  36  16.578  -6.197   1.780
   21    HA   ARG  36           HA       ARG  36  14.632  -7.715   0.440
   22   1HB   ARG  36          2HB       ARG  36  16.072  -8.203   3.064
   23   2HB   ARG  36          1HB       ARG  36  15.258  -9.457   2.127
   24   1HG   ARG  36          2HG       ARG  36  16.732  -8.936   0.194
   25   2HG   ARG  36          1HG       ARG  36  17.570  -7.735   1.178
   26   1HD   ARG  36          2HD       ARG  36  18.882  -9.767   1.285
   27   2HD   ARG  36          1HD       ARG  36  18.044  -9.629   2.841
   28    HE   ARG  36           HE       ARG  36  16.446 -11.047   0.869
   29   1HH1  ARG  36          1HH2      ARG  36  19.190 -12.397   0.959
   30   2HH1  ARG  36          2HH2      ARG  36  18.920 -13.610   2.166
   31   1HH2  ARG  36          1HH1      ARG  36  16.017 -12.146   3.369
   32   2HH2  ARG  36          2HH1      ARG  36  17.124 -13.467   3.531
   33    H    ILE  37           H        ILE  37  14.478  -6.301   3.699
   34    HA   ILE  37           HA       ILE  37  11.903  -7.485   4.347
   35    HB   ILE  37           HB       ILE  37  12.122  -6.187   6.341
   36   1HG1  ILE  37          1HG1      ILE  37  14.163  -4.458   4.919
   37   2HG1  ILE  37          2HG1      ILE  37  12.466  -4.014   5.097
   38   1HG2  ILE  37          1HG2      ILE  37  14.082  -7.849   5.556
   39   2HG2  ILE  37          2HG2      ILE  37  14.142  -6.985   7.092
   40   3HG2  ILE  37          3HG2      ILE  37  15.025  -6.364   5.697
   41   1HD1  ILE  37          1HD1      ILE  37  14.353  -3.308   6.895
   42   2HD1  ILE  37          2HD1      ILE  37  13.876  -4.865   7.573
   43   3HD1  ILE  37          3HD1      ILE  37  12.672  -3.598   7.344
   44    H    TRP  38           H        TRP  38  12.722  -5.142   2.125
   45    HA   TRP  38           HA       TRP  38  10.829  -3.057   2.509
   46   1HB   TRP  38          2HB       TRP  38  12.721  -3.125   0.887
   47   2HB   TRP  38          1HB       TRP  38  11.841  -4.324  -0.058
   48    HD1  TRP  38           HD       TRP  38  11.763  -0.637   0.939
   49    HE1  TRP  38           1HE      TRP  38  10.174   0.620  -0.655
   50    HE3  TRP  38           3HE      TRP  38   9.787  -4.584  -1.631
   51    HZ2  TRP  38           2HZ      TRP  38   8.312   0.030  -2.744
   52    HZ3  TRP  38           3HZ      TRP  38   8.110  -4.208  -3.415
   53    HH2  TRP  38           HH       TRP  38   7.370  -1.908  -3.975
   54    H    LEU  39           H        LEU  39  10.474  -6.297   1.118
   55    HA   LEU  39           HA       LEU  39   7.993  -6.073  -0.182
   56   1HB   LEU  39          2HB       LEU  39   9.513  -8.051  -0.099
   57   2HB   LEU  39          1HB       LEU  39   9.009  -8.336   1.567
   58    HG   LEU  39           HG       LEU  39   6.614  -8.426   0.688
   59   1HD1  LEU  39          1HD1      LEU  39   7.670  -7.402  -1.589
   60   2HD1  LEU  39          2HD1      LEU  39   6.174  -8.334  -1.558
   61   3HD1  LEU  39          3HD1      LEU  39   7.692  -9.119  -1.991
   62   1HD2  LEU  39          1HD2      LEU  39   6.954 -10.751  -0.286
   63   2HD2  LEU  39          2HD2      LEU  39   7.699 -10.483   1.290
   64   3HD2  LEU  39          3HD2      LEU  39   8.689 -10.459  -0.168
   65    H    HIS  40           H        HIS  40   8.676  -6.415   3.281
   66    HA   HIS  40           HA       HIS  40   6.048  -6.897   4.230
   67   1HB   HIS  40          2HB       HIS  40   8.405  -5.364   5.371
   68   2HB   HIS  40          1HB       HIS  40   6.987  -5.814   6.318
   69    HD1  HIS  40           1HD      HIS  40  10.016  -7.260   4.645
   70    HD2  HIS  40           2HD      HIS  40   6.764  -8.604   6.879
   71    HE1  HIS  40           1HE      HIS  40  10.527  -9.657   5.283
   72    H    ASN  41           H        ASN  41   7.672  -3.888   3.299
   73    HA   ASN  41           HA       ASN  41   5.870  -1.959   4.278
   74   1HB   ASN  41          1HB       ASN  41   8.105  -1.835   2.928
   75   2HB   ASN  41          2HB       ASN  41   7.059  -1.851   1.510
   76   1HD2  ASN  41          1HD2      ASN  41   8.347   0.465   1.603
   77   2HD2  ASN  41          2HD2      ASN  41   7.423   1.721   2.276
   78    H    LEU  42           H        LEU  42   5.717  -3.819   1.236
   79    HA   LEU  42           HA       LEU  42   3.416  -2.688   0.070
   80   1HB   LEU  42          2HB       LEU  42   4.293  -5.596   0.191
   81   2HB   LEU  42          1HB       LEU  42   3.223  -4.900  -1.026
   82    HG   LEU  42           HG       LEU  42   6.129  -4.184  -0.542
   83   1HD1  LEU  42          1HD1      LEU  42   5.544  -4.849  -3.236
   84   2HD1  LEU  42          2HD1      LEU  42   4.773  -6.078  -2.234
   85   3HD1  LEU  42          3HD1      LEU  42   6.504  -5.779  -2.085
   86   1HD2  LEU  42          1HD2      LEU  42   3.938  -2.683  -1.753
   87   2HD2  LEU  42          2HD2      LEU  42   5.249  -2.973  -2.896
   88   3HD2  LEU  42          3HD2      LEU  42   5.575  -2.155  -1.368
   89    H    GLY  43           H        GLY  43   3.675  -5.138   2.630
   90   1HA   GLY  43          1HA       GLY  43   0.993  -5.958   2.804
   91   2HA   GLY  43          2HA       GLY  43   2.082  -5.875   4.187
   92    H    GLN  44           H        GLN  44   2.339  -2.851   3.463
   93    HA   GLN  44           HA       GLN  44   0.320  -1.944   5.341
   94   1HB   GLN  44          2HB       GLN  44   2.617  -1.011   5.072
   95   2HB   GLN  44          1HB       GLN  44   2.163  -0.426   3.471
   96   1HG   GLN  44          2HG       GLN  44   0.371   0.942   4.482
   97   2HG   GLN  44          1HG       GLN  44   0.835   0.363   6.082
   98   1HE2  GLN  44          1HE2      GLN  44   0.964   3.101   5.710
   99   2HE2  GLN  44          2HE2      GLN  44   2.577   3.611   5.577
  100    H    HIS  45           H        HIS  45   0.706  -1.800   1.815
  101    HA   HIS  45           HA       HIS  45  -1.627  -0.094   1.423
  102   1HB   HIS  45          2HB       HIS  45  -0.976  -0.188  -0.822
  103   2HB   HIS  45          1HB       HIS  45   0.549  -0.530  -0.008
  104    HD1  HIS  45           1HD      HIS  45   1.683  -2.670  -0.627
  105    HD2  HIS  45           2HD      HIS  45  -2.348  -2.698  -1.685
  106    HE1  HIS  45           1HE      HIS  45   1.299  -4.811  -1.924
  107    H    ILE  46           H        ILE  46  -0.952  -3.578   1.009
  108    HA   ILE  46           HA       ILE  46  -3.578  -4.301   0.090
  109    HB   ILE  46           HB       ILE  46  -1.517  -5.655  -0.160
  110   1HG1  ILE  46          2HG1      ILE  46  -3.407  -7.208   1.606
  111   2HG1  ILE  46          1HG1      ILE  46  -3.898  -6.662   0.002
  112   1HG2  ILE  46          1HG2      ILE  46  -1.773  -6.176   2.815
  113   2HG2  ILE  46          2HG2      ILE  46  -0.623  -5.033   2.123
  114   3HG2  ILE  46          3HG2      ILE  46  -0.501  -6.749   1.737
  115   1HD1  ILE  46          1HD1      ILE  46  -1.251  -8.006   0.191
  116   2HD1  ILE  46          2HD1      ILE  46  -2.479  -8.115  -1.070
  117   3HD1  ILE  46          3HD1      ILE  46  -2.668  -9.031   0.425
  118    H    TYR  47           H        TYR  47  -2.091  -4.265   3.337
  119    HA   TYR  47           HA       TYR  47  -4.172  -5.427   4.836
  120   1HB   TYR  47          2HB       TYR  47  -1.909  -4.797   5.636
  121   2HB   TYR  47          1HB       TYR  47  -2.355  -3.096   5.526
  122    HD1  TYR  47           1HD      TYR  47  -3.829  -2.070   7.150
  123    HD2  TYR  47           2HD      TYR  47  -2.966  -6.274   7.314
  124    HE1  TYR  47           1HE      TYR  47  -4.826  -2.186   9.418
  125    HE2  TYR  47           2HE      TYR  47  -3.961  -6.390   9.582
  126    HH   TYR  47           HH       TYR  47  -5.960  -4.234  10.821
  127    H    GLU  48           H        GLU  48  -3.818  -2.084   3.701
  128    HA   GLU  48           HA       GLU  48  -6.033  -0.950   5.105
  129   1HB   GLU  48          2HB       GLU  48  -4.601  -0.322   2.512
  130   2HB   GLU  48          1HB       GLU  48  -5.844   0.732   3.185
  131   1HG   GLU  48          2HG       GLU  48  -4.530   0.871   5.301
  132   2HG   GLU  48          1HG       GLU  48  -3.263  -0.098   4.548
  133    H    THR  49           H        THR  49  -5.819  -2.755   2.067
  134    HA   THR  49           HA       THR  49  -8.387  -2.162   0.988
  135    HB   THR  49           HB       THR  49  -6.753  -4.721   0.908
  136    HG1  THR  49           1HG      THR  49  -5.966  -2.443   0.215
  137   1HG2  THR  49          1HG2      THR  49  -8.777  -5.316  -0.071
  138   2HG2  THR  49          2HG2      THR  49  -7.893  -4.696  -1.465
  139   3HG2  THR  49          3HG2      THR  49  -9.090  -3.682  -0.659
  140    H    TYR  50           H        TYR  50  -7.365  -4.482   3.467
  141    HA   TYR  50           HA       TYR  50  -9.899  -5.879   3.644
  142   1HB   TYR  50          1HB       TYR  50  -7.470  -5.558   5.425
  143   2HB   TYR  50          2HB       TYR  50  -8.825  -6.602   5.856
  144    HD1  TYR  50           1HD      TYR  50  -5.878  -6.207   3.762
  145    HD2  TYR  50           2HD      TYR  50  -9.451  -8.517   4.354
  146    HE1  TYR  50           1HE      TYR  50  -4.962  -7.996   2.311
  147    HE2  TYR  50           2HE      TYR  50  -8.534 -10.306   2.902
  148    HH   TYR  50           HH       TYR  50  -5.902  -9.859   0.877
  149    H    GLY  51           H        GLY  51  -8.413  -3.178   5.438
  150   1HA   GLY  51          1HA       GLY  51  -9.464  -1.478   6.688
  151   2HA   GLY  51          2HA       GLY  51 -11.018  -2.102   6.137
  152   1HN   NH2  52          1H        GLY  51 -12.069  -3.745   7.448
  153   2HN   NH2  52          2H        GLY  51 -11.531  -4.119   9.014
  Start of MODEL   12
    1   1H    ACE  33          1H        ACE  33  21.708  -4.218   4.775
    2   2H    ACE  33          2H        ACE  33  22.277  -4.316   3.109
    3   3H    ACE  33          3H        ACE  33  22.135  -5.781   4.079
    4    H    PHE  34           H        PHE  34  20.362  -6.968   3.571
    5    HA   PHE  34           HA       PHE  34  17.896  -5.511   2.669
    6   1HB   PHE  34          2HB       PHE  34  19.220  -6.728   0.897
    7   2HB   PHE  34          1HB       PHE  34  18.924  -8.226   1.779
    8    HD1  PHE  34           1HD      PHE  34  17.150  -5.317   0.233
    9    HD2  PHE  34           2HD      PHE  34  16.941  -9.439   1.422
   10    HE1  PHE  34           1HE      PHE  34  14.929  -5.517  -0.853
   11    HE2  PHE  34           2HE      PHE  34  14.721  -9.640   0.336
   12    HZ   PHE  34           HZ       PHE  34  13.715  -7.679  -0.802
   13    HA   PRO  35           HA       PRO  35  16.882  -8.023   6.366
   14   1HB   PRO  35          2HB       PRO  35  15.041  -6.245   7.350
   15   2HB   PRO  35          1HB       PRO  35  16.777  -6.155   7.721
   16   1HG   PRO  35          2HG       PRO  35  15.159  -4.620   5.745
   17   2HG   PRO  35          1HG       PRO  35  16.461  -4.064   6.804
   18   1HD   PRO  35          2HD       PRO  35  16.818  -4.576   4.165
   19   2HD   PRO  35          1HD       PRO  35  18.103  -4.786   5.372
   20    H    ARG  36           H        ARG  36  15.338  -7.033   3.557
   21    HA   ARG  36           HA       ARG  36  13.477  -7.981   2.431
   22   1HB   ARG  36          2HB       ARG  36  14.295  -9.953   3.958
   23   2HB   ARG  36          1HB       ARG  36  12.881  -9.549   4.931
   24   1HG   ARG  36          2HG       ARG  36  11.431  -9.826   2.964
   25   2HG   ARG  36          1HG       ARG  36  12.838 -10.192   1.965
   26   1HD   ARG  36          2HD       ARG  36  11.736 -12.287   2.675
   27   2HD   ARG  36          1HD       ARG  36  13.324 -12.155   3.455
   28    HE   ARG  36           HE       ARG  36  11.573 -10.854   5.193
   29   1HH1  ARG  36          1HH1      ARG  36  12.440 -13.986   4.160
   30   2HH1  ARG  36          2HH1      ARG  36  11.397 -14.805   5.274
   31   1HH2  ARG  36          1HH2      ARG  36   9.940 -11.892   6.463
   32   2HH2  ARG  36          2HH2      ARG  36   9.980 -13.619   6.577
   33    H    ILE  37           H        ILE  37  13.421  -6.100   5.179
   34    HA   ILE  37           HA       ILE  37  10.694  -6.047   5.989
   35    HB   ILE  37           HB       ILE  37  11.306  -3.874   6.889
   36   1HG1  ILE  37          1HG1      ILE  37  13.640  -3.995   4.947
   37   2HG1  ILE  37          2HG1      ILE  37  12.237  -2.936   4.803
   38   1HG2  ILE  37          1HG2      ILE  37  13.944  -4.663   7.349
   39   2HG2  ILE  37          2HG2      ILE  37  13.095  -6.175   7.026
   40   3HG2  ILE  37          3HG2      ILE  37  12.542  -5.112   8.319
   41   1HD1  ILE  37          1HD1      ILE  37  14.119  -1.719   5.812
   42   2HD1  ILE  37          2HD1      ILE  37  14.235  -2.932   7.087
   43   3HD1  ILE  37          3HD1      ILE  37  12.810  -1.897   6.981
   44    H    TRP  38           H        TRP  38  12.407  -4.543   3.305
   45    HA   TRP  38           HA       TRP  38  10.616  -2.646   2.343
   46   1HB   TRP  38          2HB       TRP  38  12.864  -3.526   1.429
   47   2HB   TRP  38          1HB       TRP  38  11.905  -4.742   0.583
   48    HD1  TRP  38           HD       TRP  38  12.386  -0.940   0.806
   49    HE1  TRP  38           1HE      TRP  38  11.519   0.123  -1.377
   50    HE3  TRP  38           3HE      TRP  38  10.388  -5.063  -1.449
   51    HZ2  TRP  38           2HZ      TRP  38  10.156  -0.672  -3.765
   52    HZ3  TRP  38           3HZ      TRP  38   9.312  -4.882  -3.676
   53    HH2  TRP  38           HH       TRP  38   9.195  -2.694  -4.835
   54    H    LEU  39           H        LEU  39  10.455  -6.178   1.781
   55    HA   LEU  39           HA       LEU  39   8.115  -6.210   0.168
   56   1HB   LEU  39          2HB       LEU  39   9.193  -8.192   2.199
   57   2HB   LEU  39          1HB       LEU  39   8.010  -8.576   0.947
   58    HG   LEU  39           HG       LEU  39  10.827  -7.549   0.474
   59   1HD1  LEU  39          1HD1      LEU  39   9.799 -10.173   0.941
   60   2HD1  LEU  39          2HD1      LEU  39  11.441  -9.715   0.488
   61   3HD1  LEU  39          3HD1      LEU  39  10.246 -10.065  -0.762
   62   1HD2  LEU  39          1HD2      LEU  39  10.166  -8.213  -1.936
   63   2HD2  LEU  39          2HD2      LEU  39   9.500  -6.709  -1.300
   64   3HD2  LEU  39          3HD2      LEU  39   8.502  -8.162  -1.353
   65    H    HIS  40           H        HIS  40   8.530  -6.046   3.672
   66    HA   HIS  40           HA       HIS  40   5.824  -6.605   4.434
   67   1HB   HIS  40          2HB       HIS  40   7.762  -6.610   5.952
   68   2HB   HIS  40          1HB       HIS  40   7.984  -4.880   5.694
   69    HD1  HIS  40           1HD      HIS  40   6.687  -3.342   7.194
   70    HD2  HIS  40           2HD      HIS  40   5.168  -7.224   7.260
   71    HE1  HIS  40           1HE      HIS  40   4.887  -3.378   8.976
   72    H    ASN  41           H        ASN  41   7.484  -3.600   3.516
   73    HA   ASN  41           HA       ASN  41   5.524  -1.694   4.192
   74   1HB   ASN  41          2HB       ASN  41   7.427  -1.928   1.841
   75   2HB   ASN  41          1HB       ASN  41   6.555  -0.449   2.241
   76   1HD2  ASN  41          1HD2      ASN  41   9.404  -0.500   2.331
   77   2HD2  ASN  41          2HD2      ASN  41   9.902  -0.367   3.948
   78    H    LEU  42           H        LEU  42   5.789  -3.679   1.232
   79    HA   LEU  42           HA       LEU  42   3.545  -2.592  -0.156
   80   1HB   LEU  42          2HB       LEU  42   4.698  -5.402  -0.155
   81   2HB   LEU  42          1HB       LEU  42   3.721  -4.690  -1.439
   82    HG   LEU  42           HG       LEU  42   6.445  -3.728  -0.509
   83   1HD1  LEU  42          1HD1      LEU  42   6.936  -4.265  -2.986
   84   2HD1  LEU  42          2HD1      LEU  42   5.433  -5.186  -2.951
   85   3HD1  LEU  42          3HD1      LEU  42   6.764  -5.631  -1.885
   86   1HD2  LEU  42          1HD2      LEU  42   4.528  -2.640  -2.590
   87   2HD2  LEU  42          2HD2      LEU  42   6.211  -2.137  -2.438
   88   3HD2  LEU  42          3HD2      LEU  42   5.074  -1.820  -1.128
   89    H    GLY  43           H        GLY  43   3.796  -5.103   2.327
   90   1HA   GLY  43          1HA       GLY  43   1.158  -6.163   2.088
   91   2HA   GLY  43          2HA       GLY  43   2.138  -6.220   3.553
   92    H    GLN  44           H        GLN  44   2.385  -3.232   3.565
   93    HA   GLN  44           HA       GLN  44   0.132  -2.633   5.242
   94   1HB   GLN  44          2HB       GLN  44   2.422  -1.602   5.294
   95   2HB   GLN  44          1HB       GLN  44   2.030  -0.760   3.794
   96   1HG   GLN  44          2HG       GLN  44   0.107   0.323   4.914
   97   2HG   GLN  44          1HG       GLN  44   0.520  -0.507   6.414
   98   1HE2  GLN  44          1HE2      GLN  44   0.528   2.228   6.597
   99   2HE2  GLN  44          2HE2      GLN  44   2.112   2.838   6.621
  100    H    HIS  45           H        HIS  45   0.791  -2.094   1.812
  101    HA   HIS  45           HA       HIS  45  -1.399  -0.284   1.305
  102   1HB   HIS  45          2HB       HIS  45   0.181  -2.226  -0.413
  103   2HB   HIS  45          1HB       HIS  45  -0.948  -1.039  -1.067
  104    HD1  HIS  45           1HD      HIS  45   2.380  -1.325   0.662
  105    HD2  HIS  45           2HD      HIS  45  -0.037   1.650  -0.976
  106    HE1  HIS  45           1HE      HIS  45   3.794   0.775   0.565
  107    H    ILE  46           H        ILE  46  -1.047  -3.826   0.920
  108    HA   ILE  46           HA       ILE  46  -3.810  -4.207   0.089
  109    HB   ILE  46           HB       ILE  46  -3.190  -6.541   0.159
  110   1HG1  ILE  46          2HG1      ILE  46  -0.723  -5.763   1.733
  111   2HG1  ILE  46          1HG1      ILE  46  -2.201  -6.344   2.499
  112   1HG2  ILE  46          1HG2      ILE  46  -1.473  -4.527  -0.990
  113   2HG2  ILE  46          2HG2      ILE  46  -1.889  -6.117  -1.629
  114   3HG2  ILE  46          3HG2      ILE  46  -0.515  -5.937  -0.539
  115   1HD1  ILE  46          1HD1      ILE  46  -0.504  -7.828   0.472
  116   2HD1  ILE  46          2HD1      ILE  46  -2.068  -8.395   1.056
  117   3HD1  ILE  46          3HD1      ILE  46  -0.714  -8.236   2.175
  118    H    TYR  47           H        TYR  47  -2.138  -3.945   3.128
  119    HA   TYR  47           HA       TYR  47  -4.043  -5.350   4.786
  120   1HB   TYR  47          2HB       TYR  47  -1.702  -4.837   5.403
  121   2HB   TYR  47          1HB       TYR  47  -2.073  -3.114   5.376
  122    HD1  TYR  47           1HD      TYR  47  -3.392  -2.077   7.135
  123    HD2  TYR  47           2HD      TYR  47  -2.621  -6.302   7.155
  124    HE1  TYR  47           1HE      TYR  47  -4.184  -2.210   9.481
  125    HE2  TYR  47           2HE      TYR  47  -3.413  -6.436   9.501
  126    HH   TYR  47           HH       TYR  47  -3.676  -3.912  11.497
  127    H    GLU  48           H        GLU  48  -3.734  -2.012   3.653
  128    HA   GLU  48           HA       GLU  48  -5.772  -0.863   5.331
  129   1HB   GLU  48          2HB       GLU  48  -4.584  -0.156   2.631
  130   2HB   GLU  48          1HB       GLU  48  -5.699   0.902   3.497
  131   1HG   GLU  48          2HG       GLU  48  -4.162   0.974   5.416
  132   2HG   GLU  48          1HG       GLU  48  -3.055  -0.117   4.583
  133    H    THR  49           H        THR  49  -5.821  -2.494   2.187
  134    HA   THR  49           HA       THR  49  -8.471  -1.865   1.367
  135    HB   THR  49           HB       THR  49  -6.895  -4.438   1.020
  136    HG1  THR  49           1HG      THR  49  -6.703  -1.882  -0.088
  137   1HG2  THR  49          1HG2      THR  49  -9.474  -3.788   0.199
  138   2HG2  THR  49          2HG2      THR  49  -8.460  -5.060  -0.480
  139   3HG2  THR  49          3HG2      THR  49  -8.483  -3.460  -1.222
  140    H    TYR  50           H        TYR  50  -7.234  -4.366   3.564
  141    HA   TYR  50           HA       TYR  50  -9.718  -5.779   3.926
  142   1HB   TYR  50          1HB       TYR  50  -7.209  -5.433   5.596
  143   2HB   TYR  50          2HB       TYR  50  -8.483  -6.584   5.991
  144    HD1  TYR  50           1HD      TYR  50  -6.000  -7.835   5.667
  145    HD2  TYR  50           2HD      TYR  50  -8.652  -6.485   2.568
  146    HE1  TYR  50           1HE      TYR  50  -5.008  -9.480   4.100
  147    HE2  TYR  50           2HE      TYR  50  -7.660  -8.131   1.003
  148    HH   TYR  50           HH       TYR  50  -6.297  -9.897   0.816
  149    H    GLY  51           H        GLY  51  -8.146  -3.135   5.743
  150   1HA   GLY  51          1HA       GLY  51  -9.221  -1.429   7.000
  151   2HA   GLY  51          2HA       GLY  51 -10.767  -2.228   6.706
  152   1HN   NH2  52          1H        GLY  51 -10.541  -1.469   9.271
  153   2HN   NH2  52          2H        GLY  51 -10.112  -2.753  10.295
  Start of MODEL   13
    1   1H    ACE  33          1H        ACE  33  18.959  -8.214   1.217
    2   2H    ACE  33          2H        ACE  33  19.512  -8.639   2.836
    3   3H    ACE  33          3H        ACE  33  20.426  -7.482   1.868
    4    H    PHE  34           H        PHE  34  20.183  -5.496   2.784
    5    HA   PHE  34           HA       PHE  34  18.246  -4.604   4.571
    6   1HB   PHE  34          2HB       PHE  34  20.326  -3.544   2.925
    7   2HB   PHE  34          1HB       PHE  34  18.935  -2.468   2.794
    8    HD1  PHE  34           1HD      PHE  34  21.173  -4.185   5.231
    9    HD2  PHE  34           2HD      PHE  34  18.304  -1.053   4.596
   10    HE1  PHE  34           1HE      PHE  34  21.664  -3.278   7.486
   11    HE2  PHE  34           2HE      PHE  34  18.795  -0.146   6.852
   12    HZ   PHE  34           HZ       PHE  34  20.475  -1.258   8.296
   13    HA   PRO  35           HA       PRO  35  15.606  -2.941   0.933
   14   1HB   PRO  35          2HB       PRO  35  15.900  -4.173  -1.492
   15   2HB   PRO  35          1HB       PRO  35  16.765  -2.691  -1.042
   16   1HG   PRO  35          2HG       PRO  35  17.708  -5.516  -1.053
   17   2HG   PRO  35          1HG       PRO  35  18.562  -4.041  -1.525
   18   1HD   PRO  35          2HD       PRO  35  18.942  -5.297   0.852
   19   2HD   PRO  35          1HD       PRO  35  19.169  -3.553   0.629
   20    H    ARG  36           H        ARG  36  16.423  -6.151   1.731
   21    HA   ARG  36           HA       ARG  36  14.294  -7.648   0.557
   22   1HB   ARG  36          2HB       ARG  36  16.298  -8.564   1.704
   23   2HB   ARG  36          1HB       ARG  36  15.683  -7.953   3.241
   24   1HG   ARG  36          1HG       ARG  36  15.026 -10.243   3.170
   25   2HG   ARG  36          2HG       ARG  36  13.572  -9.329   2.770
   26   1HD   ARG  36          2HD       ARG  36  14.021  -9.699   0.351
   27   2HD   ARG  36          1HD       ARG  36  15.450 -10.658   0.780
   28    HE   ARG  36           HE       ARG  36  13.466 -11.820   2.293
   29   1HH1  ARG  36          1HH2      ARG  36  14.444 -11.701  -0.943
   30   2HH1  ARG  36          2HH2      ARG  36  13.117 -12.634  -1.549
   31   1HH2  ARG  36          1HH1      ARG  36  11.439 -12.708   1.484
   32   2HH2  ARG  36          2HH1      ARG  36  11.415 -13.203  -0.175
   33    H    ILE  37           H        ILE  37  14.400  -5.493   3.337
   34    HA   ILE  37           HA       ILE  37  11.877  -6.313   4.510
   35    HB   ILE  37           HB       ILE  37  12.255  -4.407   5.918
   36   1HG1  ILE  37          1HG1      ILE  37  14.189  -3.383   3.818
   37   2HG1  ILE  37          2HG1      ILE  37  12.537  -2.799   4.010
   38   1HG2  ILE  37          1HG2      ILE  37  15.082  -5.009   5.126
   39   2HG2  ILE  37          2HG2      ILE  37  14.071  -6.329   5.715
   40   3HG2  ILE  37          3HG2      ILE  37  14.367  -4.921   6.736
   41   1HD1  ILE  37          1HD1      ILE  37  13.368  -1.321   5.504
   42   2HD1  ILE  37          2HD1      ILE  37  14.919  -2.158   5.572
   43   3HD1  ILE  37          3HD1      ILE  37  13.584  -2.694   6.591
   44    H    TRP  38           H        TRP  38  12.599  -4.682   1.637
   45    HA   TRP  38           HA       TRP  38  10.623  -2.635   1.531
   46   1HB   TRP  38          2HB       TRP  38  12.384  -2.751  -0.086
   47   2HB   TRP  38          1HB       TRP  38  11.963  -4.407  -0.521
   48    HD1  TRP  38           HD       TRP  38  11.457  -3.909  -3.034
   49    HE1  TRP  38           1HE      TRP  38   9.551  -2.661  -4.236
   50    HE3  TRP  38           3HE      TRP  38   9.331  -1.487   0.936
   51    HZ2  TRP  38           2HZ      TRP  38   7.413  -0.875  -3.605
   52    HZ3  TRP  38           3HZ      TRP  38   7.365  -0.020   0.603
   53    HH2  TRP  38           HH       TRP  38   6.403   0.288  -1.660
   54    H    LEU  39           H        LEU  39  10.399  -6.125   1.060
   55    HA   LEU  39           HA       LEU  39   7.805  -6.142  -0.200
   56   1HB   LEU  39          2HB       LEU  39   9.292  -8.192   1.475
   57   2HB   LEU  39          1HB       LEU  39   7.897  -8.546   0.456
   58    HG   LEU  39           HG       LEU  39  10.592  -7.493  -0.455
   59   1HD1  LEU  39          1HD1      LEU  39   9.749  -9.799  -1.867
   60   2HD1  LEU  39          2HD1      LEU  39   9.446 -10.125  -0.162
   61   3HD1  LEU  39          3HD1      LEU  39  11.066  -9.682  -0.699
   62   1HD2  LEU  39          1HD2      LEU  39   7.931  -7.746  -1.842
   63   2HD2  LEU  39          2HD2      LEU  39   9.429  -7.903  -2.760
   64   3HD2  LEU  39          3HD2      LEU  39   9.081  -6.409  -1.889
   65    H    HIS  40           H        HIS  40   8.886  -6.111   3.164
   66    HA   HIS  40           HA       HIS  40   6.404  -6.801   4.408
   67   1HB   HIS  40          2HB       HIS  40   8.791  -5.127   5.236
   68   2HB   HIS  40          1HB       HIS  40   7.493  -5.562   6.348
   69    HD1  HIS  40           1HD      HIS  40  10.207  -7.134   4.226
   70    HD2  HIS  40           2HD      HIS  40   7.588  -8.206   7.287
   71    HE1  HIS  40           1HE      HIS  40  10.907  -9.444   4.992
   72    H    ASN  41           H        ASN  41   7.766  -3.658   3.410
   73    HA   ASN  41           HA       ASN  41   5.776  -1.951   4.501
   74   1HB   ASN  41          2HB       ASN  41   8.045  -1.526   3.279
   75   2HB   ASN  41          1HB       ASN  41   7.073  -1.540   1.809
   76   1HD2  ASN  41          1HD2      ASN  41   8.218   0.874   2.270
   77   2HD2  ASN  41          2HD2      ASN  41   7.110   1.988   2.913
   78    H    LEU  42           H        LEU  42   5.928  -3.518   1.294
   79    HA   LEU  42           HA       LEU  42   3.606  -2.523   0.100
   80   1HB   LEU  42          2HB       LEU  42   5.328  -4.077  -0.853
   81   2HB   LEU  42          1HB       LEU  42   4.610  -5.386   0.086
   82    HG   LEU  42           HG       LEU  42   2.404  -4.829  -1.053
   83   1HD1  LEU  42          1HD1      LEU  42   3.278  -2.534  -1.780
   84   2HD1  LEU  42          2HD1      LEU  42   2.416  -3.459  -3.010
   85   3HD1  LEU  42          3HD1      LEU  42   4.179  -3.387  -3.033
   86   1HD2  LEU  42          1HD2      LEU  42   2.867  -6.438  -2.602
   87   2HD2  LEU  42          2HD2      LEU  42   4.431  -6.506  -1.790
   88   3HD2  LEU  42          3HD2      LEU  42   4.240  -5.547  -3.257
   89    H    GLY  43           H        GLY  43   3.874  -5.224   2.420
   90   1HA   GLY  43          1HA       GLY  43   1.229  -6.148   2.381
   91   2HA   GLY  43          2HA       GLY  43   2.240  -6.162   3.824
   92    H    GLN  44           H        GLN  44   2.440  -3.107   3.537
   93    HA   GLN  44           HA       GLN  44   0.275  -2.478   5.343
   94   1HB   GLN  44          2HB       GLN  44   2.545  -1.432   5.281
   95   2HB   GLN  44          1HB       GLN  44   2.111  -0.662   3.755
   96   1HG   GLN  44          2HG       GLN  44   1.673   0.967   5.448
   97   2HG   GLN  44          1HG       GLN  44   0.097   0.323   4.988
   98   1HE2  GLN  44          1HE2      GLN  44  -1.179  -0.190   6.767
   99   2HE2  GLN  44          2HE2      GLN  44  -0.593  -0.693   8.279
  100    H    HIS  45           H        HIS  45   0.710  -2.113   1.847
  101    HA   HIS  45           HA       HIS  45  -1.550  -0.318   1.493
  102   1HB   HIS  45          2HB       HIS  45  -0.940  -0.427  -0.754
  103   2HB   HIS  45          1HB       HIS  45   0.570  -0.919   0.008
  104    HD1  HIS  45           1HD      HIS  45   1.488  -3.147  -0.688
  105    HD2  HIS  45           2HD      HIS  45  -2.560  -2.780  -1.615
  106    HE1  HIS  45           1HE      HIS  45   0.866  -5.213  -2.017
  107    H    ILE  46           H        ILE  46  -1.098  -3.834   1.005
  108    HA   ILE  46           HA       ILE  46  -3.760  -4.430   0.171
  109    HB   ILE  46           HB       ILE  46  -1.850  -5.966  -0.012
  110   1HG1  ILE  46          2HG1      ILE  46  -3.650  -7.314   1.973
  111   2HG1  ILE  46          1HG1      ILE  46  -4.332  -6.740   0.451
  112   1HG2  ILE  46          1HG2      ILE  46  -1.986  -6.053   3.019
  113   2HG2  ILE  46          2HG2      ILE  46  -0.710  -5.289   2.074
  114   3HG2  ILE  46          3HG2      ILE  46  -0.924  -7.036   2.011
  115   1HD1  ILE  46          1HD1      ILE  46  -1.815  -8.404   0.506
  116   2HD1  ILE  46          2HD1      ILE  46  -2.930  -8.145  -0.836
  117   3HD1  ILE  46          3HD1      ILE  46  -3.407  -9.164   0.522
  118    H    TYR  47           H        TYR  47  -2.294  -4.196   3.398
  119    HA   TYR  47           HA       TYR  47  -4.413  -5.172   4.985
  120   1HB   TYR  47          2HB       TYR  47  -2.084  -4.510   5.671
  121   2HB   TYR  47          1HB       TYR  47  -2.577  -2.821   5.539
  122    HD1  TYR  47           1HD      TYR  47  -3.094  -5.986   7.384
  123    HD2  TYR  47           2HD      TYR  47  -4.027  -1.800   7.175
  124    HE1  TYR  47           1HE      TYR  47  -4.059  -6.089   9.666
  125    HE2  TYR  47           2HE      TYR  47  -4.991  -1.900   9.457
  126    HH   TYR  47           HH       TYR  47  -6.084  -4.079  10.890
  127    H    GLU  48           H        GLU  48  -3.905  -1.940   3.618
  128    HA   GLU  48           HA       GLU  48  -6.056  -0.577   4.883
  129   1HB   GLU  48          2HB       GLU  48  -4.051   0.125   3.298
  130   2HB   GLU  48          1HB       GLU  48  -5.263  -0.067   2.033
  131   1HG   GLU  48          1HG       GLU  48  -6.778   1.438   3.421
  132   2HG   GLU  48          2HG       GLU  48  -5.369   1.783   4.426
  133    H    THR  49           H        THR  49  -5.957  -2.685   2.042
  134    HA   THR  49           HA       THR  49  -8.512  -2.145   0.934
  135    HB   THR  49           HB       THR  49  -7.015  -4.777   1.163
  136    HG1  THR  49           1HG      THR  49  -6.828  -2.641  -0.692
  137   1HG2  THR  49          1HG2      THR  49  -9.495  -4.108  -0.037
  138   2HG2  THR  49          2HG2      THR  49  -8.596  -5.617  -0.193
  139   3HG2  THR  49          3HG2      THR  49  -8.332  -4.310  -1.347
  140    H    TYR  50           H        TYR  50  -7.560  -4.178   3.680
  141    HA   TYR  50           HA       TYR  50 -10.145  -5.439   4.044
  142   1HB   TYR  50          1HB       TYR  50  -7.746  -4.943   5.832
  143   2HB   TYR  50          2HB       TYR  50  -9.117  -5.941   6.311
  144    HD1  TYR  50           1HD      TYR  50  -6.083  -5.753   4.325
  145    HD2  TYR  50           2HD      TYR  50  -9.686  -7.998   4.977
  146    HE1  TYR  50           1HE      TYR  50  -5.102  -7.678   3.108
  147    HE2  TYR  50           2HE      TYR  50  -8.707  -9.923   3.759
  148    HH   TYR  50           HH       TYR  50  -6.976 -10.669   2.589
  149    H    GLY  51           H        GLY  51  -8.547  -2.592   5.485
  150   1HA   GLY  51          1HA       GLY  51  -9.517  -0.707   6.514
  151   2HA   GLY  51          2HA       GLY  51 -11.093  -1.301   5.993
  152   1HN   NH2  52          1H        GLY  51  -8.746  -3.066   8.039
  153   2HN   NH2  52          2H        GLY  51  -9.747  -3.137   9.408
  Start of MODEL   14
    1   1H    ACE  33          1H        ACE  33  21.258  -0.416   5.617
    2   2H    ACE  33          2H        ACE  33  19.824   0.182   4.784
    3   3H    ACE  33          3H        ACE  33  21.231  -0.340   3.856
    4    H    PHE  34           H        PHE  34  18.220  -1.308   4.974
    5    HA   PHE  34           HA       PHE  34  18.916  -4.185   4.490
    6   1HB   PHE  34          2HB       PHE  34  18.006  -2.903   6.858
    7   2HB   PHE  34          1HB       PHE  34  16.657  -3.861   6.245
    8    HD1  PHE  34           1HD      PHE  34  17.970  -6.120   4.941
    9    HD2  PHE  34           2HD      PHE  34  18.960  -4.133   8.618
   10    HE1  PHE  34           1HE      PHE  34  19.062  -8.188   5.764
   11    HE2  PHE  34           2HE      PHE  34  20.052  -6.201   9.442
   12    HZ   PHE  34           HZ       PHE  34  20.104  -8.229   8.015
   13    HA   PRO  35           HA       PRO  35  15.566  -2.344   1.682
   14   1HB   PRO  35          2HB       PRO  35  16.354  -3.826  -0.479
   15   2HB   PRO  35          1HB       PRO  35  17.009  -2.217  -0.119
   16   1HG   PRO  35          2HG       PRO  35  18.179  -4.906   0.408
   17   2HG   PRO  35          1HG       PRO  35  18.969  -3.422  -0.143
   18   1HD   PRO  35          2HD       PRO  35  19.071  -4.316   2.429
   19   2HD   PRO  35          1HD       PRO  35  19.187  -2.602   1.984
   20    H    ARG  36           H        ARG  36  16.769  -5.471   2.651
   21    HA   ARG  36           HA       ARG  36  14.943  -7.280   1.552
   22   1HB   ARG  36          2HB       ARG  36  16.905  -7.743   3.034
   23   2HB   ARG  36          1HB       ARG  36  15.960  -7.168   4.407
   24   1HG   ARG  36          2HG       ARG  36  14.257  -8.919   3.938
   25   2HG   ARG  36          1HG       ARG  36  15.261  -9.518   2.618
   26   1HD   ARG  36          2HD       ARG  36  17.113  -9.912   4.267
   27   2HD   ARG  36          1HD       ARG  36  16.001  -9.441   5.567
   28    HE   ARG  36           HE       ARG  36  14.756 -11.408   3.876
   29   1HH1  ARG  36          1HH2      ARG  36  14.944 -11.303   6.949
   30   2HH1  ARG  36          2HH2      ARG  36  15.801 -12.775   7.264
   31   1HH2  ARG  36          1HH1      ARG  36  16.836 -13.186   3.980
   32   2HH2  ARG  36          2HH1      ARG  36  16.874 -13.841   5.583
   33    H    ILE  37           H        ILE  37  14.447  -5.042   4.261
   34    HA   ILE  37           HA       ILE  37  11.817  -6.107   4.951
   35    HB   ILE  37           HB       ILE  37  11.841  -4.341   6.565
   36   1HG1  ILE  37          1HG1      ILE  37  14.054  -3.007   4.984
   37   2HG1  ILE  37          2HG1      ILE  37  12.357  -2.554   4.845
   38   1HG2  ILE  37          1HG2      ILE  37  13.758  -4.910   7.700
   39   2HG2  ILE  37          2HG2      ILE  37  14.792  -4.647   6.295
   40   3HG2  ILE  37          3HG2      ILE  37  13.844  -6.129   6.429
   41   1HD1  ILE  37          1HD1      ILE  37  13.984  -2.520   7.405
   42   2HD1  ILE  37          2HD1      ILE  37  12.285  -2.065   7.261
   43   3HD1  ILE  37          3HD1      ILE  37  13.528  -1.101   6.461
   44    H    TRP  38           H        TRP  38  12.871  -4.349   2.315
   45    HA   TRP  38           HA       TRP  38  10.893  -2.306   2.032
   46   1HB   TRP  38          2HB       TRP  38  12.868  -2.322   0.674
   47   2HB   TRP  38          1HB       TRP  38  12.540  -3.959   0.104
   48    HD1  TRP  38           HD       TRP  38  12.386  -3.324  -2.428
   49    HE1  TRP  38           1HE      TRP  38  10.638  -2.043  -3.820
   50    HE3  TRP  38           3HE      TRP  38   9.662  -1.158   1.324
   51    HZ2  TRP  38           2HZ      TRP  38   8.391  -0.332  -3.407
   52    HZ3  TRP  38           3HZ      TRP  38   7.729   0.291   0.790
   53    HH2  TRP  38           HH       TRP  38   7.089   0.708  -1.569
   54    H    LEU  39           H        LEU  39  10.846  -5.769   1.313
   55    HA   LEU  39           HA       LEU  39   8.412  -5.753  -0.242
   56   1HB   LEU  39          2HB       LEU  39   9.779  -7.903   1.407
   57   2HB   LEU  39          1HB       LEU  39   8.537  -8.198   0.190
   58    HG   LEU  39           HG       LEU  39  11.275  -6.978  -0.277
   59   1HD1  LEU  39          1HD1      LEU  39  11.806  -8.983  -1.400
   60   2HD1  LEU  39          2HD1      LEU  39  10.112  -9.451  -1.551
   61   3HD1  LEU  39          3HD1      LEU  39  10.916  -9.538   0.017
   62   1HD2  LEU  39          1HD2      LEU  39  10.070  -7.545  -2.729
   63   2HD2  LEU  39          2HD2      LEU  39  10.299  -5.941  -2.033
   64   3HD2  LEU  39          3HD2      LEU  39   8.781  -6.803  -1.783
   65    H    HIS  40           H        HIS  40   9.121  -5.991   3.207
   66    HA   HIS  40           HA       HIS  40   6.579  -6.902   4.125
   67   1HB   HIS  40          2HB       HIS  40   8.652  -5.061   5.361
   68   2HB   HIS  40          1HB       HIS  40   7.353  -5.845   6.257
   69    HD1  HIS  40           1HD      HIS  40   7.672  -8.541   4.425
   70    HD2  HIS  40           2HD      HIS  40  10.602  -6.674   6.728
   71    HE1  HIS  40           1HE      HIS  40   9.413 -10.307   4.939
   72    H    ASN  41           H        ASN  41   7.769  -3.656   3.316
   73    HA   ASN  41           HA       ASN  41   5.709  -2.053   4.373
   74   1HB   ASN  41          2HB       ASN  41   7.891  -1.482   3.107
   75   2HB   ASN  41          1HB       ASN  41   6.938  -1.672   1.638
   76   1HD2  ASN  41          1HD2      ASN  41   6.902   0.115   4.769
   77   2HD2  ASN  41          2HD2      ASN  41   6.095   1.476   4.153
   78    H    LEU  42           H        LEU  42   5.846  -3.596   1.148
   79    HA   LEU  42           HA       LEU  42   3.454  -2.790   0.010
   80   1HB   LEU  42          2HB       LEU  42   5.204  -4.347  -0.901
   81   2HB   LEU  42          1HB       LEU  42   4.528  -5.626   0.106
   82    HG   LEU  42           HG       LEU  42   2.291  -5.161  -1.028
   83   1HD1  LEU  42          1HD1      LEU  42   2.549  -3.036  -2.009
   84   2HD1  LEU  42          2HD1      LEU  42   2.705  -4.130  -3.385
   85   3HD1  LEU  42          3HD1      LEU  42   4.146  -3.425  -2.650
   86   1HD2  LEU  42          1HD2      LEU  42   3.148  -6.253  -3.241
   87   2HD2  LEU  42          2HD2      LEU  42   3.364  -7.132  -1.728
   88   3HD2  LEU  42          3HD2      LEU  42   4.719  -6.254  -2.438
   89    H    GLY  43           H        GLY  43   3.865  -5.333   2.481
   90   1HA   GLY  43          1HA       GLY  43   1.216  -6.303   2.558
   91   2HA   GLY  43          2HA       GLY  43   2.301  -6.289   3.947
   92    H    GLN  44           H        GLN  44   2.421  -3.213   3.461
   93    HA   GLN  44           HA       GLN  44   0.312  -2.571   5.380
   94   1HB   GLN  44          2HB       GLN  44   2.419  -0.994   3.879
   95   2HB   GLN  44          1HB       GLN  44   1.356  -0.278   5.092
   96   1HG   GLN  44          2HG       GLN  44   2.179  -1.876   6.773
   97   2HG   GLN  44          1HG       GLN  44   3.217  -2.629   5.562
   98   1HE2  GLN  44          1HE2      GLN  44   4.323  -1.446   7.925
   99   2HE2  GLN  44          2HE2      GLN  44   5.216  -0.075   7.472
  100    H    HIS  45           H        HIS  45   0.650  -2.414   1.897
  101    HA   HIS  45           HA       HIS  45  -1.480  -0.407   1.600
  102   1HB   HIS  45          2HB       HIS  45  -0.745  -0.329  -0.583
  103   2HB   HIS  45          1HB       HIS  45   0.683  -1.054   0.145
  104    HD1  HIS  45           1HD      HIS  45   1.305  -3.402  -0.580
  105    HD2  HIS  45           2HD      HIS  45  -2.472  -2.265  -1.931
  106    HE1  HIS  45           1HE      HIS  45   0.551  -5.199  -2.197
  107    H    ILE  46           H        ILE  46  -1.166  -3.925   1.453
  108    HA   ILE  46           HA       ILE  46  -3.804  -4.371   0.295
  109    HB   ILE  46           HB       ILE  46  -3.274  -6.694   0.758
  110   1HG1  ILE  46          2HG1      ILE  46  -0.929  -5.759   2.422
  111   2HG1  ILE  46          1HG1      ILE  46  -2.492  -6.146   3.139
  112   1HG2  ILE  46          1HG2      ILE  46  -0.718  -5.182   0.138
  113   2HG2  ILE  46          2HG2      ILE  46  -1.975  -5.569  -1.037
  114   3HG2  ILE  46          3HG2      ILE  46  -1.057  -6.865  -0.270
  115   1HD1  ILE  46          1HD1      ILE  46  -1.801  -8.297   3.192
  116   2HD1  ILE  46          2HD1      ILE  46  -0.409  -7.944   2.168
  117   3HD1  ILE  46          3HD1      ILE  46  -1.975  -8.298   1.437
  118    H    TYR  47           H        TYR  47  -2.500  -3.926   3.514
  119    HA   TYR  47           HA       TYR  47  -4.641  -5.059   5.046
  120   1HB   TYR  47          2HB       TYR  47  -2.383  -4.470   5.874
  121   2HB   TYR  47          1HB       TYR  47  -2.742  -2.762   5.621
  122    HD1  TYR  47           1HD      TYR  47  -3.524  -5.754   7.640
  123    HD2  TYR  47           2HD      TYR  47  -4.241  -1.554   7.099
  124    HE1  TYR  47           1HE      TYR  47  -4.586  -5.647   9.877
  125    HE2  TYR  47           2HE      TYR  47  -5.303  -1.447   9.337
  126    HH   TYR  47           HH       TYR  47  -5.035  -3.942  11.618
  127    H    GLU  48           H        GLU  48  -4.115  -1.822   3.697
  128    HA   GLU  48           HA       GLU  48  -6.346  -0.520   4.934
  129   1HB   GLU  48          2HB       GLU  48  -4.881  -0.081   2.311
  130   2HB   GLU  48          1HB       GLU  48  -5.994   1.083   3.028
  131   1HG   GLU  48          2HG       GLU  48  -4.573   1.145   5.070
  132   2HG   GLU  48          1HG       GLU  48  -3.439   0.042   4.289
  133    H    THR  49           H        THR  49  -6.026  -2.502   2.022
  134    HA   THR  49           HA       THR  49  -8.509  -1.943   0.766
  135    HB   THR  49           HB       THR  49  -7.000  -4.569   0.993
  136    HG1  THR  49           1HG      THR  49  -5.617  -3.742  -0.364
  137   1HG2  THR  49          1HG2      THR  49  -8.612  -5.346  -0.367
  138   2HG2  THR  49          2HG2      THR  49  -8.081  -4.181  -1.580
  139   3HG2  THR  49          3HG2      THR  49  -9.366  -3.754  -0.450
  140    H    TYR  50           H        TYR  50  -7.699  -4.080   3.475
  141    HA   TYR  50           HA       TYR  50 -10.259  -5.404   3.646
  142   1HB   TYR  50          1HB       TYR  50  -8.039  -4.842   5.637
  143   2HB   TYR  50          2HB       TYR  50  -9.387  -5.931   5.958
  144    HD1  TYR  50           1HD      TYR  50  -9.660  -8.019   4.639
  145    HD2  TYR  50           2HD      TYR  50  -6.242  -5.462   4.152
  146    HE1  TYR  50           1HE      TYR  50  -8.454  -9.849   3.477
  147    HE2  TYR  50           2HE      TYR  50  -5.038  -7.291   2.989
  148    HH   TYR  50           HH       TYR  50  -5.060  -9.496   2.521
  149    H    GLY  51           H        GLY  51  -8.866  -2.538   5.249
  150   1HA   GLY  51          2HA       GLY  51 -11.560  -1.447   5.670
  151   2HA   GLY  51          1HA       GLY  51 -10.700  -1.858   7.155
  152   1HN   NH2  52          1H        GLY  51  -8.109  -1.056   6.663
  153   2HN   NH2  52          2H        GLY  51  -8.045   0.605   6.315
  Start of MODEL   15
    1   1H    ACE  33          1H        ACE  33  19.333  -6.790   0.651
    2   2H    ACE  33          2H        ACE  33  19.393  -7.575   2.230
    3   3H    ACE  33          3H        ACE  33  20.621  -6.388   1.788
    4    H    PHE  34           H        PHE  34  20.261  -4.310   2.433
    5    HA   PHE  34           HA       PHE  34  18.310  -3.469   4.205
    6   1HB   PHE  34          2HB       PHE  34  20.400  -2.368   2.754
    7   2HB   PHE  34          1HB       PHE  34  19.006  -1.435   2.209
    8    HD1  PHE  34           1HD      PHE  34  17.301  -0.846   4.242
    9    HD2  PHE  34           2HD      PHE  34  21.522  -1.550   4.620
   10    HE1  PHE  34           1HE      PHE  34  17.324   0.430   6.368
   11    HE2  PHE  34           2HE      PHE  34  21.543  -0.273   6.747
   12    HZ   PHE  34           HZ       PHE  34  19.444   0.717   7.621
   13    HA   PRO  35           HA       PRO  35  15.521  -1.963   0.623
   14   1HB   PRO  35          2HB       PRO  35  15.926  -3.048  -1.854
   15   2HB   PRO  35          1HB       PRO  35  16.675  -1.529  -1.326
   16   1HG   PRO  35          2HG       PRO  35  17.827  -4.274  -1.455
   17   2HG   PRO  35          1HG       PRO  35  18.570  -2.720  -1.860
   18   1HD   PRO  35          2HD       PRO  35  19.037  -4.044   0.468
   19   2HD   PRO  35          1HD       PRO  35  19.126  -2.278   0.320
   20    H    ARG  36           H        ARG  36  16.614  -5.146   1.225
   21    HA   ARG  36           HA       ARG  36  14.603  -6.736  -0.029
   22   1HB   ARG  36          2HB       ARG  36  16.707  -7.520   1.069
   23   2HB   ARG  36          1HB       ARG  36  16.004  -7.124   2.636
   24   1HG   ARG  36          2HG       ARG  36  15.628  -9.470   2.291
   25   2HG   ARG  36          1HG       ARG  36  14.078  -8.667   2.041
   26   1HD   ARG  36          2HD       ARG  36  14.499  -8.679  -0.421
   27   2HD   ARG  36          1HD       ARG  36  16.005  -9.571  -0.131
   28    HE   ARG  36           HE       ARG  36  13.774 -10.832   1.217
   29   1HH1  ARG  36          1HH2      ARG  36  14.106 -10.035  -2.019
   30   2HH1  ARG  36          2HH2      ARG  36  14.055 -11.663  -2.610
   31   1HH2  ARG  36          1HH1      ARG  36  14.219 -13.094   0.544
   32   2HH2  ARG  36          2HH1      ARG  36  14.117 -13.395  -1.158
   33    H    ILE  37           H        ILE  37  14.576  -4.819   2.928
   34    HA   ILE  37           HA       ILE  37  12.122  -5.915   4.012
   35    HB   ILE  37           HB       ILE  37  12.380  -4.150   5.607
   36   1HG1  ILE  37          1HG1      ILE  37  14.142  -2.747   3.574
   37   2HG1  ILE  37          2HG1      ILE  37  12.469  -2.314   3.924
   38   1HG2  ILE  37          1HG2      ILE  37  14.345  -4.941   6.375
   39   2HG2  ILE  37          2HG2      ILE  37  15.232  -4.141   5.077
   40   3HG2  ILE  37          3HG2      ILE  37  14.555  -5.749   4.821
   41   1HD1  ILE  37          1HD1      ILE  37  13.108  -1.948   6.312
   42   2HD1  ILE  37          2HD1      ILE  37  13.953  -0.863   5.207
   43   3HD1  ILE  37          3HD1      ILE  37  14.788  -2.265   5.878
   44    H    TRP  38           H        TRP  38  12.758  -3.882   1.354
   45    HA   TRP  38           HA       TRP  38  10.626  -2.022   1.412
   46   1HB   TRP  38          2HB       TRP  38  12.443  -1.944  -0.190
   47   2HB   TRP  38          1HB       TRP  38  11.992  -3.516  -0.843
   48    HD1  TRP  38           HD       TRP  38  11.636  -2.462  -3.252
   49    HE1  TRP  38           1HE      TRP  38   9.698  -1.104  -4.267
   50    HE3  TRP  38           3HE      TRP  38   9.180  -1.056   1.020
   51    HZ2  TRP  38           2HZ      TRP  38   7.419   0.376  -3.398
   52    HZ3  TRP  38           3HZ      TRP  38   7.135   0.325   0.885
   53    HH2  TRP  38           HH       TRP  38   6.250   1.044  -1.314
   54    H    LEU  39           H        LEU  39  10.685  -5.442   0.466
   55    HA   LEU  39           HA       LEU  39   8.046  -5.538  -0.681
   56   1HB   LEU  39          2HB       LEU  39   9.738  -7.662   0.680
   57   2HB   LEU  39          1HB       LEU  39   8.369  -7.976  -0.387
   58    HG   LEU  39           HG       LEU  39  10.966  -6.594  -1.131
   59   1HD1  LEU  39          1HD1      LEU  39   9.727  -9.282  -1.692
   60   2HD1  LEU  39          2HD1      LEU  39  11.373  -8.907  -1.185
   61   3HD1  LEU  39          3HD1      LEU  39  10.863  -8.572  -2.839
   62   1HD2  LEU  39          1HD2      LEU  39   9.072  -5.521  -2.259
   63   2HD2  LEU  39          2HD2      LEU  39   8.454  -7.096  -2.758
   64   3HD2  LEU  39          3HD2      LEU  39   9.979  -6.499  -3.413
   65    H    HIS  40           H        HIS  40   9.280  -5.857   2.613
   66    HA   HIS  40           HA       HIS  40   6.945  -6.921   3.865
   67   1HB   HIS  40          2HB       HIS  40   9.140  -5.057   4.828
   68   2HB   HIS  40          1HB       HIS  40   8.010  -5.887   5.897
   69    HD1  HIS  40           1HD      HIS  40   8.087  -8.512   3.918
   70    HD2  HIS  40           2HD      HIS  40  11.287  -6.683   5.867
   71    HE1  HIS  40           1HE      HIS  40   9.911 -10.259   4.094
   72    H    ASN  41           H        ASN  41   7.900  -3.590   3.077
   73    HA   ASN  41           HA       ASN  41   5.868  -2.187   4.484
   74   1HB   ASN  41          1HB       ASN  41   7.374  -1.698   1.901
   75   2HB   ASN  41          2HB       ASN  41   6.322  -0.485   2.630
   76   1HD2  ASN  41          1HD2      ASN  41   9.007   0.191   2.441
   77   2HD2  ASN  41          2HD2      ASN  41   9.748   0.119   3.966
   78    H    LEU  42           H        LEU  42   5.848  -3.693   1.260
   79    HA   LEU  42           HA       LEU  42   3.374  -2.735   0.296
   80   1HB   LEU  42          2HB       LEU  42   4.665  -5.464  -0.007
   81   2HB   LEU  42          1HB       LEU  42   3.457  -4.781  -1.094
   82    HG   LEU  42           HG       LEU  42   6.239  -3.696  -0.561
   83   1HD1  LEU  42          1HD1      LEU  42   4.988  -4.611  -3.159
   84   2HD1  LEU  42          2HD1      LEU  42   5.919  -5.689  -2.119
   85   3HD1  LEU  42          3HD1      LEU  42   6.689  -4.276  -2.839
   86   1HD2  LEU  42          1HD2      LEU  42   4.616  -1.862  -0.796
   87   2HD2  LEU  42          2HD2      LEU  42   3.996  -2.590  -2.277
   88   3HD2  LEU  42          3HD2      LEU  42   5.643  -1.962  -2.226
   89    H    GLY  43           H        GLY  43   4.060  -5.303   2.634
   90   1HA   GLY  43          1HA       GLY  43   1.442  -6.468   2.672
   91   2HA   GLY  43          2HA       GLY  43   2.613  -6.562   3.989
   92    H    GLN  44           H        GLN  44   2.539  -3.407   3.641
   93    HA   GLN  44           HA       GLN  44   0.548  -3.018   5.779
   94   1HB   GLN  44          2HB       GLN  44   2.500  -1.183   4.355
   95   2HB   GLN  44          1HB       GLN  44   1.581  -0.757   5.801
   96   1HG   GLN  44          2HG       GLN  44   3.506  -3.093   5.611
   97   2HG   GLN  44          1HG       GLN  44   3.899  -1.531   6.328
   98   1HE2  GLN  44          1HE2      GLN  44   3.442  -4.414   7.486
   99   2HE2  GLN  44          2HE2      GLN  44   2.398  -4.136   8.796
  100    H    HIS  45           H        HIS  45   0.672  -2.660   2.325
  101    HA   HIS  45           HA       HIS  45  -1.453  -0.602   2.284
  102   1HB   HIS  45          2HB       HIS  45  -1.046  -0.582  -0.070
  103   2HB   HIS  45          1HB       HIS  45   0.533  -0.800   0.677
  104    HD1  HIS  45           1HD      HIS  45   1.829  -2.445  -0.643
  105    HD2  HIS  45           2HD      HIS  45  -2.190  -3.525  -0.421
  106    HE1  HIS  45           1HE      HIS  45   1.610  -4.646  -1.878
  107    H    ILE  46           H        ILE  46  -1.135  -4.071   2.118
  108    HA   ILE  46           HA       ILE  46  -3.590  -4.696   0.765
  109    HB   ILE  46           HB       ILE  46  -3.180  -6.897   1.579
  110   1HG1  ILE  46          2HG1      ILE  46  -1.521  -5.723   3.824
  111   2HG1  ILE  46          1HG1      ILE  46  -3.210  -6.190   4.004
  112   1HG2  ILE  46          1HG2      ILE  46  -0.933  -7.248   1.041
  113   2HG2  ILE  46          2HG2      ILE  46  -0.406  -5.774   1.853
  114   3HG2  ILE  46          3HG2      ILE  46  -1.245  -5.676   0.306
  115   1HD1  ILE  46          1HD1      ILE  46  -1.711  -8.010   4.732
  116   2HD1  ILE  46          2HD1      ILE  46  -0.960  -8.029   3.137
  117   3HD1  ILE  46          3HD1      ILE  46  -2.652  -8.490   3.322
  118    H    TYR  47           H        TYR  47  -2.835  -3.701   4.033
  119    HA   TYR  47           HA       TYR  47  -5.226  -4.474   5.381
  120   1HB   TYR  47          2HB       TYR  47  -3.049  -3.643   6.335
  121   2HB   TYR  47          1HB       TYR  47  -3.487  -2.024   5.793
  122    HD1  TYR  47           1HD      TYR  47  -4.352  -4.780   8.099
  123    HD2  TYR  47           2HD      TYR  47  -5.206  -0.740   6.915
  124    HE1  TYR  47           1HE      TYR  47  -5.685  -4.457  10.165
  125    HE2  TYR  47           2HE      TYR  47  -6.540  -0.418   8.981
  126    HH   TYR  47           HH       TYR  47  -6.717  -1.373  11.217
  127    H    GLU  48           H        GLU  48  -4.401  -1.529   3.571
  128    HA   GLU  48           HA       GLU  48  -6.777  -0.042   4.095
  129   1HB   GLU  48          2HB       GLU  48  -4.456   0.478   2.929
  130   2HB   GLU  48          1HB       GLU  48  -5.335   0.050   1.462
  131   1HG   GLU  48          2HG       GLU  48  -7.130   1.696   2.199
  132   2HG   GLU  48          1HG       GLU  48  -6.001   2.241   3.440
  133    H    THR  49           H        THR  49  -6.035  -2.556   1.714
  134    HA   THR  49           HA       THR  49  -8.283  -2.258  -0.003
  135    HB   THR  49           HB       THR  49  -6.870  -4.788   0.904
  136    HG1  THR  49           1HG      THR  49  -5.235  -3.722   0.112
  137   1HG2  THR  49          1HG2      THR  49  -8.841  -5.273  -0.420
  138   2HG2  THR  49          2HG2      THR  49  -7.417  -5.518  -1.431
  139   3HG2  THR  49          3HG2      THR  49  -8.387  -4.056  -1.613
  140    H    TYR  50           H        TYR  50  -7.939  -3.866   3.139
  141    HA   TYR  50           HA       TYR  50 -10.524  -5.173   3.109
  142   1HB   TYR  50          1HB       TYR  50  -8.634  -4.312   5.323
  143   2HB   TYR  50          2HB       TYR  50 -10.019  -5.376   5.562
  144    HD1  TYR  50           1HD      TYR  50 -10.094  -7.607   4.433
  145    HD2  TYR  50           2HD      TYR  50  -6.611  -5.099   4.314
  146    HE1  TYR  50           1HE      TYR  50  -8.721  -9.547   3.723
  147    HE2  TYR  50           2HE      TYR  50  -5.237  -7.037   3.603
  148    HH   TYR  50           HH       TYR  50  -5.735  -9.284   2.369
  149    H    GLY  51           H        GLY  51  -9.317  -2.121   4.533
  150   1HA   GLY  51          2HA       GLY  51 -11.478  -0.483   4.095
  151   2HA   GLY  51          1HA       GLY  51 -11.974  -1.397   5.519
  152   1HN   NH2  52          1H        GLY  51 -11.732   0.154   7.178
  153   2HN   NH2  52          2H        GLY  51 -10.281   0.971   7.507
  Start of MODEL   16
    1   1H    ACE  33          1H        ACE  33  22.391  -5.569   3.657
    2   2H    ACE  33          2H        ACE  33  22.593  -4.658   2.160
    3   3H    ACE  33          3H        ACE  33  23.180  -6.318   2.268
    4    H    PHE  34           H        PHE  34  20.228  -4.342   2.207
    5    HA   PHE  34           HA       PHE  34  18.036  -4.897   1.531
    6   1HB   PHE  34          2HB       PHE  34  19.957  -5.926  -0.257
    7   2HB   PHE  34          1HB       PHE  34  18.785  -7.225  -0.031
    8    HD1  PHE  34           1HD      PHE  34  19.477  -4.754  -2.225
    9    HD2  PHE  34           2HD      PHE  34  16.254  -5.960   0.346
   10    HE1  PHE  34           1HE      PHE  34  17.866  -3.557  -3.682
   11    HE2  PHE  34           2HE      PHE  34  14.643  -4.765  -1.112
   12    HZ   PHE  34           HZ       PHE  34  15.449  -3.563  -3.126
   13    HA   PRO  35           HA       PRO  35  17.841  -8.382   4.495
   14   1HB   PRO  35          2HB       PRO  35  16.007  -7.213   6.166
   15   2HB   PRO  35          1HB       PRO  35  17.762  -7.004   6.346
   16   1HG   PRO  35          2HG       PRO  35  15.732  -5.196   5.134
   17   2HG   PRO  35          1HG       PRO  35  17.138  -4.800   6.131
   18   1HD   PRO  35          2HD       PRO  35  17.092  -4.509   3.426
   19   2HD   PRO  35          1HD       PRO  35  18.574  -4.847   4.344
   20    H    ARG  36           H        ARG  36  15.925  -7.005   2.192
   21    HA   ARG  36           HA       ARG  36  14.000  -7.803   1.075
   22   1HB   ARG  36          2HB       ARG  36  14.020 -10.048   3.101
   23   2HB   ARG  36          1HB       ARG  36  13.447 -10.090   1.436
   24   1HG   ARG  36          2HG       ARG  36  15.800  -9.665   0.675
   25   2HG   ARG  36          1HG       ARG  36  16.325  -9.817   2.351
   26   1HD   ARG  36          2HD       ARG  36  16.555 -11.965   1.075
   27   2HD   ARG  36          1HD       ARG  36  15.435 -12.112   2.443
   28    HE   ARG  36           HE       ARG  36  14.258 -11.316  -0.159
   29   1HH1  ARG  36          1HH1      ARG  36  13.502 -12.860   2.618
   30   2HH1  ARG  36          2HH1      ARG  36  12.859 -14.299   1.903
   31   1HH2  ARG  36          1HH2      ARG  36  14.027 -13.557  -1.275
   32   2HH2  ARG  36          2HH2      ARG  36  13.157 -14.694  -0.301
   33    H    ILE  37           H        ILE  37  14.087  -6.615   4.136
   34    HA   ILE  37           HA       ILE  37  11.456  -7.200   5.168
   35    HB   ILE  37           HB       ILE  37  11.989  -5.384   6.682
   36   1HG1  ILE  37          1HG1      ILE  37  14.073  -4.586   4.621
   37   2HG1  ILE  37          2HG1      ILE  37  12.581  -3.713   4.972
   38   1HG2  ILE  37          1HG2      ILE  37  13.497  -6.836   7.529
   39   2HG2  ILE  37          2HG2      ILE  37  14.727  -5.940   6.637
   40   3HG2  ILE  37          3HG2      ILE  37  13.984  -7.369   5.921
   41   1HD1  ILE  37          1HD1      ILE  37  13.312  -3.166   7.187
   42   2HD1  ILE  37          2HD1      ILE  37  14.674  -2.816   6.122
   43   3HD1  ILE  37          3HD1      ILE  37  14.667  -4.292   7.087
   44    H    TRP  38           H        TRP  38  12.792  -4.899   2.904
   45    HA   TRP  38           HA       TRP  38  10.912  -2.878   2.681
   46   1HB   TRP  38          2HB       TRP  38  11.659  -2.725   0.395
   47   2HB   TRP  38          1HB       TRP  38  13.014  -3.355   1.330
   48    HD1  TRP  38           HD       TRP  38  13.658  -5.912   1.014
   49    HE1  TRP  38           1HE      TRP  38  13.100  -7.618  -0.837
   50    HE3  TRP  38           3HE      TRP  38   9.829  -3.465  -1.311
   51    HZ2  TRP  38           2HZ      TRP  38  11.269  -7.904  -3.018
   52    HZ3  TRP  38           3HZ      TRP  38   8.694  -4.475  -3.269
   53    HH2  TRP  38           HH       TRP  38   9.409  -6.690  -4.125
   54    H    LEU  39           H        LEU  39  10.560  -6.221   1.492
   55    HA   LEU  39           HA       LEU  39   8.206  -5.939  -0.039
   56   1HB   LEU  39          2HB       LEU  39   9.702  -7.951   0.243
   57   2HB   LEU  39          1HB       LEU  39   8.940  -8.226   1.810
   58    HG   LEU  39           HG       LEU  39   6.711  -8.260   0.611
   59   1HD1  LEU  39          1HD1      LEU  39   8.375  -7.401  -1.541
   60   2HD1  LEU  39          2HD1      LEU  39   6.632  -7.665  -1.557
   61   3HD1  LEU  39          3HD1      LEU  39   7.726  -8.986  -1.968
   62   1HD2  LEU  39          1HD2      LEU  39   7.078 -10.467   0.867
   63   2HD2  LEU  39          2HD2      LEU  39   8.813 -10.255   0.638
   64   3HD2  LEU  39          3HD2      LEU  39   7.761 -10.483  -0.759
   65    H    HIS  40           H        HIS  40   8.612  -6.183   3.466
   66    HA   HIS  40           HA       HIS  40   5.921  -6.634   4.239
   67   1HB   HIS  40          2HB       HIS  40   8.210  -5.075   5.475
   68   2HB   HIS  40          1HB       HIS  40   6.719  -5.446   6.340
   69    HD1  HIS  40           1HD      HIS  40   9.654  -7.173   4.672
   70    HD2  HIS  40           2HD      HIS  40   6.560  -8.065   7.318
   71    HE1  HIS  40           1HE      HIS  40  10.108  -9.508   5.544
   72    H    ASN  41           H        ASN  41   7.617  -3.642   3.360
   73    HA   ASN  41           HA       ASN  41   5.740  -1.687   4.110
   74   1HB   ASN  41          1HB       ASN  41   8.074  -1.645   2.894
   75   2HB   ASN  41          2HB       ASN  41   7.102  -1.659   1.426
   76   1HD2  ASN  41          1HD2      ASN  41   7.836   0.585   0.983
   77   2HD2  ASN  41          2HD2      ASN  41   7.154   1.886   1.832
   78    H    LEU  42           H        LEU  42   5.775  -3.796   1.254
   79    HA   LEU  42           HA       LEU  42   3.481  -2.653  -0.060
   80   1HB   LEU  42          2HB       LEU  42   4.944  -5.298  -0.131
   81   2HB   LEU  42          1HB       LEU  42   3.551  -4.989  -1.168
   82    HG   LEU  42           HG       LEU  42   4.788  -2.834  -1.868
   83   1HD1  LEU  42          1HD2      LEU  42   6.894  -4.326  -0.323
   84   2HD1  LEU  42          2HD2      LEU  42   6.533  -2.599  -0.324
   85   3HD1  LEU  42          3HD2      LEU  42   7.359  -3.328  -1.700
   86   1HD2  LEU  42          1HD1      LEU  42   6.389  -5.181  -2.756
   87   2HD2  LEU  42          2HD1      LEU  42   5.561  -3.956  -3.718
   88   3HD2  LEU  42          3HD1      LEU  42   4.645  -5.279  -2.995
   89    H    GLY  43           H        GLY  43   3.872  -5.034   2.501
   90   1HA   GLY  43          1HA       GLY  43   1.257  -6.204   2.349
   91   2HA   GLY  43          2HA       GLY  43   2.291  -6.207   3.778
   92    H    GLN  44           H        GLN  44   2.469  -3.223   3.720
   93    HA   GLN  44           HA       GLN  44   0.231  -2.651   5.448
   94   1HB   GLN  44          2HB       GLN  44   2.303  -0.934   4.047
   95   2HB   GLN  44          1HB       GLN  44   1.215  -0.337   5.301
   96   1HG   GLN  44          2HG       GLN  44   2.111  -2.009   6.879
   97   2HG   GLN  44          1HG       GLN  44   3.189  -2.619   5.624
   98   1HE2  GLN  44          1HE2      GLN  44   4.255  -1.573   8.046
   99   2HE2  GLN  44          2HE2      GLN  44   5.062  -0.119   7.706
  100    H    HIS  45           H        HIS  45   0.745  -2.347   1.999
  101    HA   HIS  45           HA       HIS  45  -1.386  -0.398   1.554
  102   1HB   HIS  45          2HB       HIS  45   0.187  -2.300  -0.211
  103   2HB   HIS  45          1HB       HIS  45  -0.959  -1.116  -0.839
  104    HD1  HIS  45           1HD      HIS  45   2.380  -1.388   0.879
  105    HD2  HIS  45           2HD      HIS  45  -0.065   1.575  -0.738
  106    HE1  HIS  45           1HE      HIS  45   3.777   0.722   0.785
  107    H    ILE  46           H        ILE  46  -1.064  -3.943   1.106
  108    HA   ILE  46           HA       ILE  46  -3.773  -4.330   0.185
  109    HB   ILE  46           HB       ILE  46  -3.209  -6.659   0.408
  110   1HG1  ILE  46          2HG1      ILE  46  -0.877  -5.872   2.171
  111   2HG1  ILE  46          1HG1      ILE  46  -2.436  -6.376   2.822
  112   1HG2  ILE  46          1HG2      ILE  46  -1.443  -4.769  -0.763
  113   2HG2  ILE  46          2HG2      ILE  46  -1.656  -6.462  -1.209
  114   3HG2  ILE  46          3HG2      ILE  46  -0.439  -6.012  -0.016
  115   1HD1  ILE  46          1HD1      ILE  46  -0.476  -8.135   2.357
  116   2HD1  ILE  46          2HD1      ILE  46  -1.190  -8.117   0.744
  117   3HD1  ILE  46          3HD1      ILE  46  -2.173  -8.561   2.140
  118    H    TYR  47           H        TYR  47  -2.307  -4.046   3.357
  119    HA   TYR  47           HA       TYR  47  -4.410  -5.280   4.896
  120   1HB   TYR  47          2HB       TYR  47  -2.104  -4.829   5.682
  121   2HB   TYR  47          1HB       TYR  47  -2.411  -3.096   5.580
  122    HD1  TYR  47           1HD      TYR  47  -3.162  -6.204   7.407
  123    HD2  TYR  47           2HD      TYR  47  -3.891  -1.978   7.171
  124    HE1  TYR  47           1HE      TYR  47  -4.157  -6.249   9.679
  125    HE2  TYR  47           2HE      TYR  47  -4.886  -2.023   9.443
  126    HH   TYR  47           HH       TYR  47  -4.722  -4.878  11.462
  127    H    GLU  48           H        GLU  48  -3.906  -2.027   3.619
  128    HA   GLU  48           HA       GLU  48  -6.027  -0.746   5.109
  129   1HB   GLU  48          2HB       GLU  48  -4.596  -0.130   2.503
  130   2HB   GLU  48          1HB       GLU  48  -5.696   0.992   3.303
  131   1HG   GLU  48          2HG       GLU  48  -3.197  -0.186   4.557
  132   2HG   GLU  48          1HG       GLU  48  -3.325   1.443   3.895
  133    H    THR  49           H        THR  49  -5.854  -2.589   2.120
  134    HA   THR  49           HA       THR  49  -8.324  -1.858   0.915
  135    HB   THR  49           HB       THR  49  -6.916  -4.547   1.020
  136    HG1  THR  49           1HG      THR  49  -6.068  -3.618  -1.027
  137   1HG2  THR  49          1HG2      THR  49  -9.318  -3.696  -0.258
  138   2HG2  THR  49          2HG2      THR  49  -8.493  -5.246  -0.415
  139   3HG2  THR  49          3HG2      THR  49  -8.094  -3.921  -1.508
  140    H    TYR  50           H        TYR  50  -7.569  -4.150   3.511
  141    HA   TYR  50           HA       TYR  50 -10.196  -5.343   3.685
  142   1HB   TYR  50          1HB       TYR  50  -7.857  -5.035   5.593
  143   2HB   TYR  50          2HB       TYR  50  -9.269  -6.031   5.948
  144    HD1  TYR  50           1HD      TYR  50  -6.149  -5.784   4.109
  145    HD2  TYR  50           2HD      TYR  50  -9.836  -7.964   4.431
  146    HE1  TYR  50           1HE      TYR  50  -5.166  -7.638   2.788
  147    HE2  TYR  50           2HE      TYR  50  -8.853  -9.819   3.109
  148    HH   TYR  50           HH       TYR  50  -6.567 -10.700   2.597
  149    H    GLY  51           H        GLY  51  -8.581  -2.656   5.387
  150   1HA   GLY  51          2HA       GLY  51 -10.712  -0.949   5.719
  151   2HA   GLY  51          1HA       GLY  51 -10.927  -2.098   7.040
  152   1HN   NH2  52          1H        GLY  51  -7.827  -2.375   7.086
  153   2HN   NH2  52          2H        GLY  51  -7.321  -1.008   7.956
  Start of MODEL   17
    1   1H    ACE  33          1H        ACE  33  20.400  -1.020   3.702
    2   2H    ACE  33          2H        ACE  33  21.972  -1.707   3.296
    3   3H    ACE  33          3H        ACE  33  21.392  -1.756   4.960
    4    H    PHE  34           H        PHE  34  18.669  -2.511   4.273
    5    HA   PHE  34           HA       PHE  34  19.107  -5.258   3.150
    6   1HB   PHE  34          2HB       PHE  34  17.918  -4.295   5.732
    7   2HB   PHE  34          1HB       PHE  34  17.300  -5.783   5.012
    8    HD1  PHE  34           1HD      PHE  34  18.418  -7.803   5.404
    9    HD2  PHE  34           2HD      PHE  34  20.528  -4.095   5.905
   10    HE1  PHE  34           1HE      PHE  34  20.385  -9.039   6.272
   11    HE2  PHE  34           2HE      PHE  34  22.494  -5.332   6.774
   12    HZ   PHE  34           HZ       PHE  34  22.423  -7.804   6.957
   13    HA   PRO  35           HA       PRO  35  15.656  -2.608   1.180
   14   1HB   PRO  35          2HB       PRO  35  16.049  -3.751  -1.275
   15   2HB   PRO  35          1HB       PRO  35  16.902  -2.292  -0.738
   16   1HG   PRO  35          2HG       PRO  35  17.834  -5.122  -0.805
   17   2HG   PRO  35          1HG       PRO  35  18.711  -3.638  -1.200
   18   1HD   PRO  35          2HD       PRO  35  18.994  -4.968   1.160
   19   2HD   PRO  35          1HD       PRO  35  19.234  -3.217   0.992
   20    H    ARG  36           H        ARG  36  16.625  -5.983   1.311
   21    HA   ARG  36           HA       ARG  36  14.426  -7.324   0.222
   22   1HB   ARG  36          2HB       ARG  36  16.012  -7.903   2.742
   23   2HB   ARG  36          1HB       ARG  36  15.031  -9.087   1.879
   24   1HG   ARG  36          2HG       ARG  36  16.412  -8.717  -0.153
   25   2HG   ARG  36          1HG       ARG  36  17.416  -7.586   0.754
   26   1HD   ARG  36          2HD       ARG  36  18.523  -9.760   0.771
   27   2HD   ARG  36          1HD       ARG  36  17.879  -9.472   2.399
   28    HE   ARG  36           HE       ARG  36  15.809 -10.716   0.953
   29   1HH1  ARG  36          1HH2      ARG  36  19.132 -11.454   1.347
   30   2HH1  ARG  36          2HH2      ARG  36  18.867 -13.132   1.683
   31   1HH2  ARG  36          1HH1      ARG  36  15.411 -12.871   1.631
   32   2HH2  ARG  36          2HH1      ARG  36  16.763 -13.933   1.843
   33    H    ILE  37           H        ILE  37  14.667  -5.695   3.358
   34    HA   ILE  37           HA       ILE  37  12.183  -6.673   4.441
   35    HB   ILE  37           HB       ILE  37  12.591  -5.018   6.126
   36   1HG1  ILE  37          1HG1      ILE  37  14.487  -3.626   4.216
   37   2HG1  ILE  37          2HG1      ILE  37  12.808  -3.133   4.437
   38   1HG2  ILE  37          1HG2      ILE  37  14.624  -6.717   5.172
   39   2HG2  ILE  37          2HG2      ILE  37  14.503  -6.011   6.783
   40   3HG2  ILE  37          3HG2      ILE  37  15.420  -5.184   5.525
   41   1HD1  ILE  37          1HD1      ILE  37  14.687  -1.990   5.874
   42   2HD1  ILE  37          2HD1      ILE  37  14.583  -3.463   6.839
   43   3HD1  ILE  37          3HD1      ILE  37  13.163  -2.438   6.639
   44    H    TRP  38           H        TRP  38  12.844  -4.478   1.910
   45    HA   TRP  38           HA       TRP  38  10.761  -2.556   2.172
   46   1HB   TRP  38          2HB       TRP  38  12.706  -2.600   0.567
   47   2HB   TRP  38          1HB       TRP  38  11.854  -3.842  -0.349
   48    HD1  TRP  38           HD       TRP  38  11.642  -0.149   0.620
   49    HE1  TRP  38           1HE      TRP  38  10.009   1.035  -0.986
   50    HE3  TRP  38           3HE      TRP  38   9.834  -4.186  -1.936
   51    HZ2  TRP  38           2HZ      TRP  38   8.178   0.360  -3.077
   52    HZ3  TRP  38           3HZ      TRP  38   8.148  -3.885  -3.726
   53    HH2  TRP  38           HH       TRP  38   7.319  -1.620  -4.300
   54    H    LEU  39           H        LEU  39  10.715  -5.909   1.088
   55    HA   LEU  39           HA       LEU  39   8.225  -5.952  -0.281
   56   1HB   LEU  39          2HB       LEU  39   9.603  -8.032   1.446
   57   2HB   LEU  39          1HB       LEU  39   8.331  -8.376   0.273
   58    HG   LEU  39           HG       LEU  39  11.073  -7.217  -0.302
   59   1HD1  LEU  39          1HD1      LEU  39  11.377  -9.263  -1.602
   60   2HD1  LEU  39          2HD1      LEU  39   9.729  -9.771  -1.234
   61   3HD1  LEU  39          3HD1      LEU  39  10.933  -9.683   0.053
   62   1HD2  LEU  39          1HD2      LEU  39   9.873  -6.116  -1.922
   63   2HD2  LEU  39          2HD2      LEU  39   8.538  -7.268  -1.865
   64   3HD2  LEU  39          3HD2      LEU  39  10.017  -7.672  -2.737
   65    H    HIS  40           H        HIS  40   8.976  -6.076   3.172
   66    HA   HIS  40           HA       HIS  40   6.403  -6.882   4.130
   67   1HB   HIS  40          2HB       HIS  40   8.622  -5.175   5.298
   68   2HB   HIS  40          1HB       HIS  40   7.267  -5.801   6.239
   69    HD1  HIS  40           1HD      HIS  40  10.310  -6.942   4.313
   70    HD2  HIS  40           2HD      HIS  40   7.424  -8.550   6.857
   71    HE1  HIS  40           1HE      HIS  40  11.088  -9.282   4.890
   72    H    ASN  41           H        ASN  41   7.716  -3.716   3.229
   73    HA   ASN  41           HA       ASN  41   5.737  -2.019   4.332
   74   1HB   ASN  41          1HB       ASN  41   7.369  -1.916   1.779
   75   2HB   ASN  41          2HB       ASN  41   6.444  -0.545   2.391
   76   1HD2  ASN  41          1HD2      ASN  41   9.351  -0.544   2.156
   77   2HD2  ASN  41          2HD2      ASN  41   9.987  -0.425   3.726
   78    H    LEU  42           H        LEU  42   5.761  -3.795   1.245
   79    HA   LEU  42           HA       LEU  42   3.431  -2.760   0.049
   80   1HB   LEU  42          2HB       LEU  42   4.498  -5.603   0.098
   81   2HB   LEU  42          1HB       LEU  42   3.415  -4.941  -1.125
   82    HG   LEU  42           HG       LEU  42   6.248  -4.036  -0.528
   83   1HD1  LEU  42          1HD1      LEU  42   5.113  -5.978  -2.305
   84   2HD1  LEU  42          2HD1      LEU  42   6.803  -5.499  -2.143
   85   3HD1  LEU  42          3HD1      LEU  42   5.749  -4.643  -3.267
   86   1HD2  LEU  42          1HD2      LEU  42   5.406  -2.771  -2.838
   87   2HD2  LEU  42          2HD2      LEU  42   5.512  -2.017  -1.248
   88   3HD2  LEU  42          3HD2      LEU  42   3.979  -2.683  -1.807
   89    H    GLY  43           H        GLY  43   3.760  -5.158   2.638
   90   1HA   GLY  43          1HA       GLY  43   1.104  -6.167   2.621
   91   2HA   GLY  43          2HA       GLY  43   2.148  -6.125   4.041
   92    H    GLN  44           H        GLN  44   2.387  -3.122   3.764
   93    HA   GLN  44           HA       GLN  44   0.189  -2.421   5.503
   94   1HB   GLN  44          2HB       GLN  44   2.248  -0.803   3.971
   95   2HB   GLN  44          1HB       GLN  44   1.199  -0.139   5.225
   96   1HG   GLN  44          2HG       GLN  44   3.196  -2.395   5.588
   97   2HG   GLN  44          1HG       GLN  44   3.385  -0.744   6.177
   98   1HE2  GLN  44          1HE2      GLN  44   2.778  -3.648   7.427
   99   2HE2  GLN  44          2HE2      GLN  44   1.620  -3.270   8.609
  100    H    HIS  45           H        HIS  45   0.711  -2.202   2.031
  101    HA   HIS  45           HA       HIS  45  -1.464  -0.319   1.546
  102   1HB   HIS  45          2HB       HIS  45   0.116  -2.233  -0.200
  103   2HB   HIS  45          1HB       HIS  45  -1.017  -1.036  -0.829
  104    HD1  HIS  45           1HD      HIS  45   2.361  -1.376   0.755
  105    HD2  HIS  45           2HD      HIS  45  -0.131   1.677  -0.605
  106    HE1  HIS  45           1HE      HIS  45   3.774   0.726   0.684
  107    H    ILE  46           H        ILE  46  -1.069  -3.859   1.134
  108    HA   ILE  46           HA       ILE  46  -3.761  -4.323   0.221
  109    HB   ILE  46           HB       ILE  46  -3.153  -6.630   0.501
  110   1HG1  ILE  46          2HG1      ILE  46  -0.878  -5.749   2.295
  111   2HG1  ILE  46          1HG1      ILE  46  -2.433  -6.296   2.918
  112   1HG2  ILE  46          1HG2      ILE  46  -1.605  -4.874  -0.894
  113   2HG2  ILE  46          2HG2      ILE  46  -1.368  -6.621  -0.922
  114   3HG2  ILE  46          3HG2      ILE  46  -0.394  -5.615   0.151
  115   1HD1  ILE  46          1HD1      ILE  46  -0.286  -7.937   2.317
  116   2HD1  ILE  46          2HD1      ILE  46  -1.311  -8.097   0.891
  117   3HD1  ILE  46          3HD1      ILE  46  -1.959  -8.469   2.488
  118    H    TYR  47           H        TYR  47  -2.384  -3.765   3.367
  119    HA   TYR  47           HA       TYR  47  -4.402  -5.069   4.963
  120   1HB   TYR  47          2HB       TYR  47  -2.139  -4.365   5.726
  121   2HB   TYR  47          1HB       TYR  47  -2.620  -2.679   5.538
  122    HD1  TYR  47           1HD      TYR  47  -4.097  -1.605   7.124
  123    HD2  TYR  47           2HD      TYR  47  -3.190  -5.791   7.457
  124    HE1  TYR  47           1HE      TYR  47  -5.094  -1.642   9.395
  125    HE2  TYR  47           2HE      TYR  47  -4.188  -5.828   9.726
  126    HH   TYR  47           HH       TYR  47  -4.581  -3.490  11.595
  127    H    GLU  48           H        GLU  48  -4.024  -1.747   3.749
  128    HA   GLU  48           HA       GLU  48  -6.377  -0.665   4.994
  129   1HB   GLU  48          2HB       GLU  48  -4.855   0.048   2.462
  130   2HB   GLU  48          1HB       GLU  48  -6.054   1.091   3.229
  131   1HG   GLU  48          2HG       GLU  48  -4.703   1.118   5.298
  132   2HG   GLU  48          1HG       GLU  48  -3.503   0.080   4.527
  133    H    THR  49           H        THR  49  -5.842  -2.682   2.216
  134    HA   THR  49           HA       THR  49  -8.229  -2.165   0.724
  135    HB   THR  49           HB       THR  49  -6.642  -4.732   1.083
  136    HG1  THR  49           1HG      THR  49  -5.421  -3.924  -0.643
  137   1HG2  THR  49          1HG2      THR  49  -8.744  -5.072  -0.110
  138   2HG2  THR  49          2HG2      THR  49  -7.399  -5.168  -1.247
  139   3HG2  THR  49          3HG2      THR  49  -8.389  -3.710  -1.173
  140    H    TYR  50           H        TYR  50  -7.519  -4.449   3.377
  141    HA   TYR  50           HA       TYR  50 -10.454  -5.036   3.548
  142   1HB   TYR  50          2HB       TYR  50  -9.849  -7.213   4.217
  143   2HB   TYR  50          1HB       TYR  50  -8.670  -6.831   2.971
  144    HD1  TYR  50           1HD      TYR  50  -9.228  -7.073   6.631
  145    HD2  TYR  50           2HD      TYR  50  -6.343  -6.630   3.480
  146    HE1  TYR  50           1HE      TYR  50  -7.395  -7.470   8.253
  147    HE2  TYR  50           2HE      TYR  50  -4.511  -7.025   5.100
  148    HH   TYR  50           HH       TYR  50  -4.811  -8.426   7.905
  149    H    GLY  51           H        GLY  51  -7.524  -4.661   5.532
  150   1HA   GLY  51          1HA       GLY  51  -9.101  -4.308   7.977
  151   2HA   GLY  51          2HA       GLY  51  -7.344  -4.211   7.856
  152   1HN   NH2  52          1H        GLY  51  -8.590  -2.238   9.357
  153   2HN   NH2  52          2H        GLY  51  -8.575  -0.761   8.520
  Start of MODEL   18
    1   1H    ACE  33          1H        ACE  33  18.590  -1.384   7.441
    2   2H    ACE  33          2H        ACE  33  16.852  -1.231   7.180
    3   3H    ACE  33          3H        ACE  33  17.881   0.201   7.128
    4    H    PHE  34           H        PHE  34  18.322  -3.007   5.622
    5    HA   PHE  34           HA       PHE  34  19.212  -1.844   3.120
    6   1HB   PHE  34          2HB       PHE  34  18.235  -4.654   3.699
    7   2HB   PHE  34          1HB       PHE  34  19.386  -4.161   2.457
    8    HD1  PHE  34           1HD      PHE  34  19.677  -6.168   4.906
    9    HD2  PHE  34           2HD      PHE  34  20.881  -2.108   4.185
   10    HE1  PHE  34           1HE      PHE  34  21.536  -6.433   6.524
   11    HE2  PHE  34           2HE      PHE  34  22.741  -2.373   5.804
   12    HZ   PHE  34           HZ       PHE  34  23.068  -4.535   6.974
   13    HA   PRO  35           HA       PRO  35  15.332  -0.869   1.274
   14   1HB   PRO  35          2HB       PRO  35  15.876  -1.562  -1.316
   15   2HB   PRO  35          1HB       PRO  35  16.454  -0.058  -0.575
   16   1HG   PRO  35          2HG       PRO  35  17.895  -2.625  -1.042
   17   2HG   PRO  35          1HG       PRO  35  18.473  -0.961  -1.214
   18   1HD   PRO  35          2HD       PRO  35  19.049  -2.539   0.931
   19   2HD   PRO  35          1HD       PRO  35  18.961  -0.768   1.016
   20    H    ARG  36           H        ARG  36  16.899  -3.989   1.063
   21    HA   ARG  36           HA       ARG  36  14.974  -5.552  -0.270
   22   1HB   ARG  36          2HB       ARG  36  16.733  -6.144   2.129
   23   2HB   ARG  36          1HB       ARG  36  15.926  -7.380   1.165
   24   1HG   ARG  36          2HG       ARG  36  17.107  -6.490  -0.861
   25   2HG   ARG  36          1HG       ARG  36  17.997  -5.390   0.191
   26   1HD   ARG  36          2HD       ARG  36  18.802  -7.412   1.487
   27   2HD   ARG  36          1HD       ARG  36  18.072  -8.427   0.229
   28    HE   ARG  36           HE       ARG  36  19.522  -7.030  -1.396
   29   1HH1  ARG  36          1HH1      ARG  36  21.031  -9.173   0.132
   30   2HH1  ARG  36          2HH1      ARG  36  22.414  -8.288   0.686
   31   1HH2  ARG  36          1HH2      ARG  36  20.998  -5.181   0.085
   32   2HH2  ARG  36          2HH2      ARG  36  22.394  -6.028   0.660
   33    H    ILE  37           H        ILE  37  14.945  -4.305   3.042
   34    HA   ILE  37           HA       ILE  37  12.693  -5.904   3.934
   35    HB   ILE  37           HB       ILE  37  12.878  -4.564   5.900
   36   1HG1  ILE  37          1HG1      ILE  37  14.385  -2.502   4.266
   37   2HG1  ILE  37          2HG1      ILE  37  12.671  -2.381   4.658
   38   1HG2  ILE  37          1HG2      ILE  37  15.678  -4.236   4.899
   39   2HG2  ILE  37          2HG2      ILE  37  15.003  -5.864   4.961
   40   3HG2  ILE  37          3HG2      ILE  37  15.105  -4.895   6.432
   41   1HD1  ILE  37          1HD1      ILE  37  13.401  -2.684   7.115
   42   2HD1  ILE  37          2HD1      ILE  37  13.745  -1.128   6.357
   43   3HD1  ILE  37          3HD1      ILE  37  15.030  -2.324   6.541
   44    H    TRP  38           H        TRP  38  12.931  -3.292   1.789
   45    HA   TRP  38           HA       TRP  38  10.615  -1.739   2.381
   46   1HB   TRP  38          2HB       TRP  38  12.436  -1.170   0.795
   47   2HB   TRP  38          1HB       TRP  38  11.895  -2.461  -0.276
   48    HD1  TRP  38           HD       TRP  38  10.760   0.921   1.142
   49    HE1  TRP  38           1HE      TRP  38   8.948   1.892  -0.414
   50    HE3  TRP  38           3HE      TRP  38  10.134  -3.017  -2.051
   51    HZ2  TRP  38           2HZ      TRP  38   7.432   1.102  -2.709
   52    HZ3  TRP  38           3HZ      TRP  38   8.501  -2.880  -3.910
   53    HH2  TRP  38           HH       TRP  38   7.151  -0.828  -4.242
   54    H    LEU  39           H        LEU  39  10.991  -4.839   0.719
   55    HA   LEU  39           HA       LEU  39   8.498  -5.020  -0.604
   56   1HB   LEU  39          2HB       LEU  39  10.448  -6.579  -0.757
   57   2HB   LEU  39          1HB       LEU  39  10.041  -7.192   0.846
   58    HG   LEU  39           HG       LEU  39   7.738  -7.743  -0.059
   59   1HD1  LEU  39          1HD1      LEU  39   8.717  -6.255  -2.260
   60   2HD1  LEU  39          2HD1      LEU  39   7.170  -7.092  -2.138
   61   3HD1  LEU  39          3HD1      LEU  39   8.570  -7.922  -2.816
   62   1HD2  LEU  39          1HD2      LEU  39   8.448  -9.818  -1.017
   63   2HD2  LEU  39          2HD2      LEU  39   9.693  -9.370   0.149
   64   3HD2  LEU  39          3HD2      LEU  39   9.968  -9.118  -1.574
   65    H    HIS  40           H        HIS  40   9.323  -5.589   2.794
   66    HA   HIS  40           HA       HIS  40   6.889  -6.806   3.640
   67   1HB   HIS  40          2HB       HIS  40   8.857  -4.967   5.039
   68   2HB   HIS  40          1HB       HIS  40   7.635  -5.929   5.871
   69    HD1  HIS  40           1HD      HIS  40  10.856  -6.230   3.973
   70    HD2  HIS  40           2HD      HIS  40   8.154  -8.733   5.921
   71    HE1  HIS  40           1HE      HIS  40  11.982  -8.491   4.158
   72    H    ASN  41           H        ASN  41   7.766  -3.413   3.137
   73    HA   ASN  41           HA       ASN  41   5.644  -2.086   4.423
   74   1HB   ASN  41          2HB       ASN  41   7.121  -1.594   1.823
   75   2HB   ASN  41          1HB       ASN  41   6.033  -0.408   2.541
   76   1HD2  ASN  41          1HD2      ASN  41   8.905   0.006   2.216
   77   2HD2  ASN  41          2HD2      ASN  41   9.572   0.144   3.772
   78    H    LEU  42           H        LEU  42   5.706  -3.641   1.217
   79    HA   LEU  42           HA       LEU  42   3.145  -2.843   0.281
   80   1HB   LEU  42          2HB       LEU  42   4.923  -5.256  -0.109
   81   2HB   LEU  42          1HB       LEU  42   3.395  -5.098  -0.975
   82    HG   LEU  42           HG       LEU  42   4.276  -2.730  -1.621
   83   1HD1  LEU  42          1HD2      LEU  42   6.872  -2.957  -1.861
   84   2HD1  LEU  42          2HD2      LEU  42   6.719  -4.121  -0.545
   85   3HD1  LEU  42          3HD2      LEU  42   6.202  -2.451  -0.311
   86   1HD2  LEU  42          1HD1      LEU  42   4.123  -4.074  -3.473
   87   2HD2  LEU  42          2HD1      LEU  42   4.977  -5.409  -2.701
   88   3HD2  LEU  42          3HD1      LEU  42   5.882  -4.044  -3.354
   89    H    GLY  43           H        GLY  43   4.101  -5.554   2.384
   90   1HA   GLY  43          1HA       GLY  43   1.622  -6.912   2.481
   91   2HA   GLY  43          2HA       GLY  43   2.794  -6.896   3.798
   92    H    GLN  44           H        GLN  44   2.483  -3.806   3.680
   93    HA   GLN  44           HA       GLN  44   0.350  -3.699   5.709
   94   1HB   GLN  44          2HB       GLN  44   2.274  -1.675   4.521
   95   2HB   GLN  44          1HB       GLN  44   1.184  -1.330   5.864
   96   1HG   GLN  44          2HG       GLN  44   2.245  -3.048   7.225
   97   2HG   GLN  44          1HG       GLN  44   3.259  -3.542   5.869
   98   1HE2  GLN  44          1HE2      GLN  44   4.362  -2.590   8.374
   99   2HE2  GLN  44          2HE2      GLN  44   5.158  -1.123   8.066
  100    H    HIS  45           H        HIS  45   0.872  -2.711   2.365
  101    HA   HIS  45           HA       HIS  45  -1.258  -0.839   2.103
  102   1HB   HIS  45          2HB       HIS  45  -0.575  -0.864  -0.087
  103   2HB   HIS  45          1HB       HIS  45   0.758  -1.816   0.557
  104    HD1  HIS  45           1HD      HIS  45  -0.054  -4.567   0.740
  105    HD2  HIS  45           2HD      HIS  45  -1.683  -2.156  -2.244
  106    HE1  HIS  45           1HE      HIS  45  -0.945  -6.134  -1.040
  107    H    ILE  46           H        ILE  46  -1.265  -4.360   2.182
  108    HA   ILE  46           HA       ILE  46  -3.779  -4.904   0.976
  109    HB   ILE  46           HB       ILE  46  -2.097  -6.577   1.693
  110   1HG1  ILE  46          2HG1      ILE  46  -4.577  -7.125   3.311
  111   2HG1  ILE  46          1HG1      ILE  46  -4.670  -7.024   1.553
  112   1HG2  ILE  46          1HG2      ILE  46  -1.616  -7.007   3.965
  113   2HG2  ILE  46          2HG2      ILE  46  -3.053  -6.148   4.522
  114   3HG2  ILE  46          3HG2      ILE  46  -1.678  -5.247   3.882
  115   1HD1  ILE  46          1HD1      ILE  46  -4.168  -9.256   1.697
  116   2HD1  ILE  46          2HD1      ILE  46  -3.385  -9.083   3.268
  117   3HD1  ILE  46          3HD1      ILE  46  -2.517  -8.643   1.798
  118    H    TYR  47           H        TYR  47  -2.972  -3.974   4.315
  119    HA   TYR  47           HA       TYR  47  -5.507  -4.207   5.525
  120   1HB   TYR  47          2HB       TYR  47  -3.310  -3.661   6.601
  121   2HB   TYR  47          1HB       TYR  47  -3.421  -2.038   5.920
  122    HD1  TYR  47           1HD      TYR  47  -4.931  -4.422   8.316
  123    HD2  TYR  47           2HD      TYR  47  -4.952  -0.397   6.817
  124    HE1  TYR  47           1HE      TYR  47  -6.348  -3.718  10.225
  125    HE2  TYR  47           2HE      TYR  47  -6.370   0.307   8.726
  126    HH   TYR  47           HH       TYR  47  -7.952  -0.724  10.316
  127    H    GLU  48           H        GLU  48  -4.190  -1.592   3.532
  128    HA   GLU  48           HA       GLU  48  -6.298   0.301   3.874
  129   1HB   GLU  48          2HB       GLU  48  -4.430  -0.298   1.557
  130   2HB   GLU  48          1HB       GLU  48  -5.374   1.183   1.719
  131   1HG   GLU  48          2HG       GLU  48  -4.247   1.643   3.883
  132   2HG   GLU  48          1HG       GLU  48  -3.273   0.187   3.669
  133    H    THR  49           H        THR  49  -5.960  -2.536   1.794
  134    HA   THR  49           HA       THR  49  -8.062  -2.071  -0.052
  135    HB   THR  49           HB       THR  49  -7.207  -4.668   1.273
  136    HG1  THR  49           1HG      THR  49  -5.653  -4.731  -0.321
  137   1HG2  THR  49          1HG2      THR  49  -8.531  -5.703  -0.220
  138   2HG2  THR  49          2HG2      THR  49  -7.828  -4.781  -1.549
  139   3HG2  THR  49          3HG2      THR  49  -9.193  -4.124  -0.646
  140    H    TYR  50           H        TYR  50  -8.113  -3.331   3.265
  141    HA   TYR  50           HA       TYR  50 -10.885  -4.086   3.337
  142   1HB   TYR  50          1HB       TYR  50  -8.883  -3.201   5.440
  143   2HB   TYR  50          2HB       TYR  50 -10.464  -3.876   5.828
  144    HD1  TYR  50           1HD      TYR  50  -7.109  -4.581   4.521
  145    HD2  TYR  50           2HD      TYR  50 -10.997  -6.226   5.314
  146    HE1  TYR  50           1HE      TYR  50  -6.194  -6.870   4.256
  147    HE2  TYR  50           2HE      TYR  50 -10.082  -8.516   5.050
  148    HH   TYR  50           HH       TYR  50  -6.612  -9.046   4.435
  149    H    GLY  51           H        GLY  51  -9.172  -1.070   4.186
  150   1HA   GLY  51          1HA       GLY  51 -11.406   0.596   3.497
  151   2HA   GLY  51          2HA       GLY  51 -11.349   0.381   5.246
  152   1HN   NH2  52          1H        GLY  51 -10.236   2.067   6.225
  153   2HN   NH2  52          2H        GLY  51  -8.890   2.865   5.569
  Start of MODEL   19
    1   1H    ACE  33          1H        ACE  33  22.365  -2.966   2.078
    2   2H    ACE  33          2H        ACE  33  21.968  -1.252   2.207
    3   3H    ACE  33          3H        ACE  33  22.276  -1.968   0.627
    4    H    PHE  34           H        PHE  34  20.754  -4.377   1.058
    5    HA   PHE  34           HA       PHE  34  17.977  -3.239   1.202
    6   1HB   PHE  34          2HB       PHE  34  19.131  -3.947  -1.056
    7   2HB   PHE  34          1HB       PHE  34  18.780  -5.585  -0.506
    8    HD1  PHE  34           1HD      PHE  34  16.434  -6.297  -0.092
    9    HD2  PHE  34           2HD      PHE  34  17.377  -2.454  -1.764
   10    HE1  PHE  34           1HE      PHE  34  14.081  -6.041  -0.829
   11    HE2  PHE  34           2HE      PHE  34  15.023  -2.199  -2.503
   12    HZ   PHE  34           HZ       PHE  34  13.375  -3.992  -2.036
   13    HA   PRO  35           HA       PRO  35  18.152  -6.572   4.274
   14   1HB   PRO  35          2HB       PRO  35  16.263  -5.471   5.926
   15   2HB   PRO  35          1HB       PRO  35  17.987  -5.050   6.004
   16   1HG   PRO  35          2HG       PRO  35  15.721  -3.600   4.732
   17   2HG   PRO  35          1HG       PRO  35  17.096  -2.959   5.637
   18   1HD   PRO  35          2HD       PRO  35  16.943  -2.908   2.925
   19   2HD   PRO  35          1HD       PRO  35  18.480  -3.007   3.808
   20    H    ARG  36           H        ARG  36  15.976  -5.574   1.985
   21    HA   ARG  36           HA       ARG  36  14.108  -6.655   1.031
   22   1HB   ARG  36          2HB       ARG  36  14.501  -8.756   3.170
   23   2HB   ARG  36          1HB       ARG  36  13.857  -8.964   1.543
   24   1HG   ARG  36          2HG       ARG  36  16.127  -8.241   0.666
   25   2HG   ARG  36          1HG       ARG  36  16.721  -8.364   2.323
   26   1HD   ARG  36          2HD       ARG  36  17.112 -10.462   0.999
   27   2HD   ARG  36          1HD       ARG  36  16.061 -10.739   2.401
   28    HE   ARG  36           HE       ARG  36  14.780 -10.058  -0.198
   29   1HH1  ARG  36          1HH1      ARG  36  16.088 -12.884   0.486
   30   2HH1  ARG  36          2HH1      ARG  36  14.637 -13.770   0.808
   31   1HH2  ARG  36          1HH2      ARG  36  12.640 -10.945   1.007
   32   2HH2  ARG  36          2HH2      ARG  36  12.685 -12.673   1.104
   33    H    ILE  37           H        ILE  37  14.212  -5.294   4.030
   34    HA   ILE  37           HA       ILE  37  11.764  -6.102   5.286
   35    HB   ILE  37           HB       ILE  37  12.097  -4.043   6.541
   36   1HG1  ILE  37          1HG1      ILE  37  13.988  -3.236   4.303
   37   2HG1  ILE  37          2HG1      ILE  37  12.373  -2.575   4.550
   38   1HG2  ILE  37          1HG2      ILE  37  13.848  -5.134   7.453
   39   2HG2  ILE  37          2HG2      ILE  37  14.891  -4.262   6.331
   40   3HG2  ILE  37          3HG2      ILE  37  14.272  -5.857   5.902
   41   1HD1  ILE  37          1HD1      ILE  37  14.808  -1.742   5.776
   42   2HD1  ILE  37          2HD1      ILE  37  13.787  -2.434   7.036
   43   3HD1  ILE  37          3HD1      ILE  37  13.185  -1.105   6.045
   44    H    TRP  38           H        TRP  38  12.579  -3.797   2.768
   45    HA   TRP  38           HA       TRP  38  10.326  -2.202   2.481
   46   1HB   TRP  38          2HB       TRP  38  12.461  -2.389   1.085
   47   2HB   TRP  38          1HB       TRP  38  11.668  -3.700   0.215
   48    HD1  TRP  38           HD       TRP  38  11.385   0.061   0.873
   49    HE1  TRP  38           1HE      TRP  38   9.927   1.112  -0.975
   50    HE3  TRP  38           3HE      TRP  38   9.842  -4.166  -1.543
   51    HZ2  TRP  38           2HZ      TRP  38   8.318   0.270  -3.186
   52    HZ3  TRP  38           3HZ      TRP  38   8.349  -4.012  -3.515
   53    HH2  TRP  38           HH       TRP  38   7.585  -1.802  -4.339
   54    H    LEU  39           H        LEU  39  10.677  -5.595   1.441
   55    HA   LEU  39           HA       LEU  39   8.260  -5.964   0.057
   56   1HB   LEU  39          2HB       LEU  39   9.747  -7.791   1.972
   57   2HB   LEU  39          1HB       LEU  39   8.548  -8.333   0.798
   58    HG   LEU  39           HG       LEU  39  11.202  -6.990   0.216
   59   1HD1  LEU  39          1HD1      LEU  39  10.513  -9.670   0.579
   60   2HD1  LEU  39          2HD1      LEU  39  11.961  -9.073  -0.233
   61   3HD1  LEU  39          3HD1      LEU  39  10.521  -9.467  -1.172
   62   1HD2  LEU  39          1HD2      LEU  39  10.399  -7.485  -2.213
   63   2HD2  LEU  39          2HD2      LEU  39   9.765  -6.055  -1.395
   64   3HD2  LEU  39          3HD2      LEU  39   8.784  -7.518  -1.504
   65    H    HIS  40           H        HIS  40   8.854  -5.840   3.541
   66    HA   HIS  40           HA       HIS  40   6.285  -6.787   4.405
   67   1HB   HIS  40          2HB       HIS  40   8.360  -4.940   5.625
   68   2HB   HIS  40          1HB       HIS  40   6.987  -5.594   6.519
   69    HD1  HIS  40           1HD      HIS  40  10.099  -6.727   4.670
   70    HD2  HIS  40           2HD      HIS  40   7.307  -8.243   7.369
   71    HE1  HIS  40           1HE      HIS  40  10.968  -8.990   5.405
   72    H    ASN  41           H        ASN  41   7.489  -3.573   3.498
   73    HA   ASN  41           HA       ASN  41   5.317  -1.991   4.429
   74   1HB   ASN  41          1HB       ASN  41   7.164  -1.770   2.029
   75   2HB   ASN  41          2HB       ASN  41   6.125  -0.458   2.587
   76   1HD2  ASN  41          1HD2      ASN  41   9.067  -0.380   2.586
   77   2HD2  ASN  41          2HD2      ASN  41   9.557  -0.233   4.205
   78    H    LEU  42           H        LEU  42   5.794  -3.629   1.285
   79    HA   LEU  42           HA       LEU  42   3.559  -2.822  -0.148
   80   1HB   LEU  42          2HB       LEU  42   5.358  -4.406  -0.851
   81   2HB   LEU  42          1HB       LEU  42   4.624  -5.649   0.164
   82    HG   LEU  42           HG       LEU  42   2.481  -5.301  -1.157
   83   1HD1  LEU  42          1HD1      LEU  42   4.404  -3.633  -2.791
   84   2HD1  LEU  42          2HD1      LEU  42   2.840  -3.152  -2.136
   85   3HD1  LEU  42          3HD1      LEU  42   2.920  -4.301  -3.472
   86   1HD2  LEU  42          1HD2      LEU  42   4.994  -6.266  -2.547
   87   2HD2  LEU  42          2HD2      LEU  42   3.367  -6.548  -3.169
   88   3HD2  LEU  42          3HD2      LEU  42   3.850  -7.236  -1.618
   89    H    GLY  43           H        GLY  43   3.659  -5.307   2.416
   90   1HA   GLY  43          1HA       GLY  43   1.000  -6.236   2.204
   91   2HA   GLY  43          2HA       GLY  43   1.923  -6.220   3.707
   92    H    GLN  44           H        GLN  44   2.269  -3.278   3.620
   93    HA   GLN  44           HA       GLN  44  -0.021  -2.495   5.139
   94   1HB   GLN  44          2HB       GLN  44   2.152  -0.961   3.685
   95   2HB   GLN  44          1HB       GLN  44   1.018  -0.210   4.805
   96   1HG   GLN  44          2HG       GLN  44   1.773  -1.732   6.596
   97   2HG   GLN  44          1HG       GLN  44   2.909  -2.485   5.477
   98   1HE2  GLN  44          1HE2      GLN  44   3.860  -1.211   7.837
   99   2HE2  GLN  44          2HE2      GLN  44   4.713   0.189   7.397
  100    H    HIS  45           H        HIS  45   0.742  -2.225   1.699
  101    HA   HIS  45           HA       HIS  45  -1.348  -0.370   1.002
  102   1HB   HIS  45          2HB       HIS  45   0.176  -2.516  -0.507
  103   2HB   HIS  45          1HB       HIS  45  -0.910  -1.371  -1.293
  104    HD1  HIS  45           1HD      HIS  45   2.367  -1.548   0.565
  105    HD2  HIS  45           2HD      HIS  45   0.096   1.273  -1.504
  106    HE1  HIS  45           1HE      HIS  45   3.846   0.487   0.271
  107    H    ILE  46           H        ILE  46  -1.180  -3.948   0.900
  108    HA   ILE  46           HA       ILE  46  -3.978  -4.215   0.108
  109    HB   ILE  46           HB       ILE  46  -3.482  -6.569   0.253
  110   1HG1  ILE  46          2HG1      ILE  46  -1.016  -5.812   1.849
  111   2HG1  ILE  46          1HG1      ILE  46  -2.504  -6.440   2.558
  112   1HG2  ILE  46          1HG2      ILE  46  -2.034  -6.475  -1.471
  113   2HG2  ILE  46          2HG2      ILE  46  -0.731  -5.923  -0.417
  114   3HG2  ILE  46          3HG2      ILE  46  -1.844  -4.756  -1.131
  115   1HD1  ILE  46          1HD1      ILE  46  -0.743  -7.850   0.529
  116   2HD1  ILE  46          2HD1      ILE  46  -2.284  -8.470   1.123
  117   3HD1  ILE  46          3HD1      ILE  46  -0.926  -8.277   2.230
  118    H    TYR  47           H        TYR  47  -2.153  -4.146   3.108
  119    HA   TYR  47           HA       TYR  47  -4.034  -5.288   4.904
  120   1HB   TYR  47          1HB       TYR  47  -1.627  -4.626   5.296
  121   2HB   TYR  47          2HB       TYR  47  -2.159  -2.944   5.353
  122    HD1  TYR  47           1HD      TYR  47  -3.383  -2.073   7.247
  123    HD2  TYR  47           2HD      TYR  47  -2.362  -6.239   7.022
  124    HE1  TYR  47           1HE      TYR  47  -4.001  -2.353   9.633
  125    HE2  TYR  47           2HE      TYR  47  -2.980  -6.520   9.409
  126    HH   TYR  47           HH       TYR  47  -4.547  -5.292  11.058
  127    H    GLU  48           H        GLU  48  -3.654  -1.940   3.768
  128    HA   GLU  48           HA       GLU  48  -5.719  -0.752   5.340
  129   1HB   GLU  48          1HB       GLU  48  -3.804   0.187   3.793
  130   2HB   GLU  48          2HB       GLU  48  -5.041   0.108   2.538
  131   1HG   GLU  48          1HG       GLU  48  -6.557   1.412   4.108
  132   2HG   GLU  48          2HG       GLU  48  -5.145   1.663   5.135
  133    H    THR  49           H        THR  49  -5.773  -2.429   2.218
  134    HA   THR  49           HA       THR  49  -8.395  -1.771   1.361
  135    HB   THR  49           HB       THR  49  -6.899  -4.400   1.098
  136    HG1  THR  49           1HG      THR  49  -5.714  -3.444  -0.397
  137   1HG2  THR  49          1HG2      THR  49  -8.493  -4.995  -0.373
  138   2HG2  THR  49          2HG2      THR  49  -8.354  -3.456  -1.223
  139   3HG2  THR  49          3HG2      THR  49  -9.426  -3.601   0.170
  140    H    TYR  50           H        TYR  50  -7.255  -4.218   3.671
  141    HA   TYR  50           HA       TYR  50  -9.795  -5.548   4.025
  142   1HB   TYR  50          1HB       TYR  50  -7.324  -5.247   5.761
  143   2HB   TYR  50          2HB       TYR  50  -8.636  -6.371   6.108
  144    HD1  TYR  50           1HD      TYR  50  -5.664  -5.750   4.138
  145    HD2  TYR  50           2HD      TYR  50  -9.195  -8.176   4.423
  146    HE1  TYR  50           1HE      TYR  50  -4.650  -7.403   2.593
  147    HE2  TYR  50           2HE      TYR  50  -8.182  -9.831   2.877
  148    HH   TYR  50           HH       TYR  50  -6.389  -9.768   1.038
  149    H    GLY  51           H        GLY  51  -8.131  -2.949   5.838
  150   1HA   GLY  51          1HA       GLY  51 -10.410  -2.623   7.653
  151   2HA   GLY  51          2HA       GLY  51  -8.955  -1.625   7.626
  152   1HN   NH2  52          1H        GLY  51 -10.758   0.141   7.822
  153   2HN   NH2  52          2H        GLY  51 -11.390   0.741   6.366
  Start of MODEL   20
    1   1H    ACE  33          1H        ACE  33  18.374   2.336   4.322
    2   2H    ACE  33          2H        ACE  33  19.789   2.173   3.282
    3   3H    ACE  33          3H        ACE  33  19.965   2.069   5.033
    4    H    PHE  34           H        PHE  34  17.143   0.522   4.404
    5    HA   PHE  34           HA       PHE  34  18.481  -2.117   3.919
    6   1HB   PHE  34          2HB       PHE  34  17.532  -1.192   6.321
    7   2HB   PHE  34          1HB       PHE  34  16.122  -2.046   5.695
    8    HD1  PHE  34           1HD      PHE  34  19.848  -2.533   5.831
    9    HD2  PHE  34           2HD      PHE  34  15.954  -4.298   6.246
   10    HE1  PHE  34           1HE      PHE  34  20.894  -4.702   6.426
   11    HE2  PHE  34           2HE      PHE  34  17.000  -6.466   6.841
   12    HZ   PHE  34           HZ       PHE  34  19.469  -6.667   6.931
   13    HA   PRO  35           HA       PRO  35  14.968  -1.072   0.935
   14   1HB   PRO  35          2HB       PRO  35  16.018  -2.670  -1.021
   15   2HB   PRO  35          1HB       PRO  35  16.452  -0.961  -0.830
   16   1HG   PRO  35          2HG       PRO  35  17.927  -3.404   0.029
   17   2HG   PRO  35          1HG       PRO  35  18.547  -1.899  -0.664
   18   1HD   PRO  35          2HD       PRO  35  18.655  -2.488   1.994
   19   2HD   PRO  35          1HD       PRO  35  18.572  -0.831   1.362
   20    H    ARG  36           H        ARG  36  16.530  -3.944   2.203
   21    HA   ARG  36           HA       ARG  36  14.910  -6.027   1.274
   22   1HB   ARG  36          2HB       ARG  36  16.899  -6.226   2.731
   23   2HB   ARG  36          1HB       ARG  36  15.980  -5.539   4.071
   24   1HG   ARG  36          2HG       ARG  36  15.929  -7.935   4.332
   25   2HG   ARG  36          1HG       ARG  36  14.329  -7.440   3.781
   26   1HD   ARG  36          2HD       ARG  36  14.983  -8.009   1.441
   27   2HD   ARG  36          1HD       ARG  36  16.550  -8.580   2.046
   28    HE   ARG  36           HE       ARG  36  14.246  -9.736   3.445
   29   1HH1  ARG  36          1HH2      ARG  36  15.913  -9.877   0.458
   30   2HH1  ARG  36          2HH2      ARG  36  15.943 -11.608   0.392
   31   1HH2  ARG  36          1HH1      ARG  36  14.502 -12.016   3.520
   32   2HH2  ARG  36          2HH1      ARG  36  15.145 -12.819   2.126
   33    H    ILE  37           H        ILE  37  14.202  -3.684   3.853
   34    HA   ILE  37           HA       ILE  37  11.744  -4.945   4.711
   35    HB   ILE  37           HB       ILE  37  11.516  -2.968   6.038
   36   1HG1  ILE  37          1HG1      ILE  37  13.503  -1.576   4.225
   37   2HG1  ILE  37          2HG1      ILE  37  11.757  -1.415   4.042
   38   1HG2  ILE  37          1HG2      ILE  37  14.023  -4.298   5.765
   39   2HG2  ILE  37          2HG2      ILE  37  13.363  -3.510   7.198
   40   3HG2  ILE  37          3HG2      ILE  37  14.355  -2.593   6.066
   41   1HD1  ILE  37          1HD1      ILE  37  11.551  -0.112   5.906
   42   2HD1  ILE  37          2HD1      ILE  37  13.255   0.228   5.605
   43   3HD1  ILE  37          3HD1      ILE  37  12.795  -0.999   6.786
   44    H    TRP  38           H        TRP  38  12.546  -3.177   1.901
   45    HA   TRP  38           HA       TRP  38  10.222  -1.661   1.375
   46   1HB   TRP  38          2HB       TRP  38  12.211  -1.533   0.013
   47   2HB   TRP  38          1HB       TRP  38  12.104  -3.244  -0.394
   48    HD1  TRP  38           HD       TRP  38  11.948  -2.715  -2.981
   49    HE1  TRP  38           1HE      TRP  38  10.014  -1.879  -4.463
   50    HE3  TRP  38           3HE      TRP  38   8.746  -0.978   0.616
   51    HZ2  TRP  38           2HZ      TRP  38   7.460  -0.638  -4.170
   52    HZ3  TRP  38           3HZ      TRP  38   6.578   0.025  -0.022
   53    HH2  TRP  38           HH       TRP  38   5.930   0.198  -2.406
   54    H    LEU  39           H        LEU  39  10.862  -5.125   0.855
   55    HA   LEU  39           HA       LEU  39   8.380  -5.702  -0.498
   56   1HB   LEU  39          2HB       LEU  39  10.462  -7.079  -0.524
   57   2HB   LEU  39          1HB       LEU  39  10.195  -7.470   1.175
   58    HG   LEU  39           HG       LEU  39   8.142  -8.621   0.667
   59   1HD1  LEU  39          1HD2      LEU  39   7.668  -8.745  -1.968
   60   2HD1  LEU  39          2HD2      LEU  39   8.432  -7.157  -1.917
   61   3HD1  LEU  39          3HD2      LEU  39   6.984  -7.470  -0.961
   62   1HD2  LEU  39          1HD1      LEU  39   9.363  -9.823  -1.621
   63   2HD2  LEU  39          2HD1      LEU  39   9.357 -10.410   0.042
   64   3HD2  LEU  39          3HD1      LEU  39  10.648  -9.343  -0.513
   65    H    HIS  40           H        HIS  40   9.309  -5.443   2.885
   66    HA   HIS  40           HA       HIS  40   6.967  -6.786   3.958
   67   1HB   HIS  40          2HB       HIS  40   9.030  -6.602   5.220
   68   2HB   HIS  40          1HB       HIS  40   9.008  -4.843   5.086
   69    HD1  HIS  40           1HD      HIS  40   7.334  -3.548   6.582
   70    HD2  HIS  40           2HD      HIS  40   7.189  -7.679   7.119
   71    HE1  HIS  40           1HE      HIS  40   5.958  -3.951   8.669
   72    H    ASN  41           H        ASN  41   7.770  -3.454   3.079
   73    HA   ASN  41           HA       ASN  41   5.637  -2.083   4.364
   74   1HB   ASN  41          2HB       ASN  41   7.131  -1.673   1.756
   75   2HB   ASN  41          1HB       ASN  41   6.010  -0.480   2.411
   76   1HD2  ASN  41          1HD2      ASN  41   8.760   0.175   2.117
   77   2HD2  ASN  41          2HD2      ASN  41   9.461   0.317   3.657
   78    H    LEU  42           H        LEU  42   5.792  -3.668   1.176
   79    HA   LEU  42           HA       LEU  42   3.336  -3.013   0.059
   80   1HB   LEU  42          2HB       LEU  42   5.150  -4.444  -0.890
   81   2HB   LEU  42          1HB       LEU  42   4.635  -5.753   0.173
   82    HG   LEU  42           HG       LEU  42   2.316  -5.496  -0.865
   83   1HD1  LEU  42          1HD1      LEU  42   3.819  -4.117  -3.091
   84   2HD1  LEU  42          2HD1      LEU  42   2.998  -3.197  -1.832
   85   3HD1  LEU  42          3HD1      LEU  42   2.076  -4.272  -2.882
   86   1HD2  LEU  42          1HD2      LEU  42   4.704  -6.377  -2.506
   87   2HD2  LEU  42          2HD2      LEU  42   3.037  -6.702  -2.982
   88   3HD2  LEU  42          3HD2      LEU  42   3.675  -7.381  -1.485
   89    H    GLY  43           H        GLY  43   3.952  -5.567   2.484
   90   1HA   GLY  43          1HA       GLY  43   1.322  -6.612   2.607
   91   2HA   GLY  43          2HA       GLY  43   2.474  -6.662   3.938
   92    H    GLN  44           H        GLN  44   2.465  -3.527   3.558
   93    HA   GLN  44           HA       GLN  44   0.426  -3.078   5.629
   94   1HB   GLN  44          2HB       GLN  44   2.687  -2.100   5.713
   95   2HB   GLN  44          1HB       GLN  44   2.378  -1.250   4.199
   96   1HG   GLN  44          2HG       GLN  44   0.457  -0.089   5.291
   97   2HG   GLN  44          1HG       GLN  44   0.883  -0.874   6.811
   98   1HE2  GLN  44          1HE2      GLN  44   0.966   1.860   6.902
   99   2HE2  GLN  44          2HE2      GLN  44   2.564   2.429   6.865
  100    H    HIS  45           H        HIS  45   0.762  -2.528   2.172
  101    HA   HIS  45           HA       HIS  45  -1.345  -0.522   2.000
  102   1HB   HIS  45          2HB       HIS  45  -0.814  -0.560  -0.281
  103   2HB   HIS  45          1HB       HIS  45   0.687  -1.141   0.435
  104    HD1  HIS  45           1HD      HIS  45   1.554  -3.239  -0.581
  105    HD2  HIS  45           2HD      HIS  45  -2.586  -2.950  -0.977
  106    HE1  HIS  45           1HE      HIS  45   0.815  -5.260  -1.923
  107    H    ILE  46           H        ILE  46  -1.192  -4.051   1.716
  108    HA   ILE  46           HA       ILE  46  -3.774  -4.495   0.583
  109    HB   ILE  46           HB       ILE  46  -2.060  -6.213   0.741
  110   1HG1  ILE  46          2HG1      ILE  46  -3.438  -7.960   2.142
  111   2HG1  ILE  46          1HG1      ILE  46  -4.617  -6.653   2.248
  112   1HG2  ILE  46          1HG2      ILE  46  -2.385  -6.596   3.663
  113   2HG2  ILE  46          2HG2      ILE  46  -1.477  -5.165   3.177
  114   3HG2  ILE  46          3HG2      ILE  46  -0.946  -6.763   2.659
  115   1HD1  ILE  46          1HD1      ILE  46  -5.079  -6.702  -0.014
  116   2HD1  ILE  46          2HD1      ILE  46  -4.634  -8.392   0.216
  117   3HD1  ILE  46          3HD1      ILE  46  -3.458  -7.253  -0.439
  118    H    TYR  47           H        TYR  47  -2.743  -3.968   3.942
  119    HA   TYR  47           HA       TYR  47  -5.106  -4.674   5.316
  120   1HB   TYR  47          2HB       TYR  47  -2.909  -4.016   6.295
  121   2HB   TYR  47          1HB       TYR  47  -3.224  -2.348   5.817
  122    HD1  TYR  47           1HD      TYR  47  -4.260  -5.105   8.049
  123    HD2  TYR  47           2HD      TYR  47  -4.858  -0.988   6.982
  124    HE1  TYR  47           1HE      TYR  47  -5.569  -4.757  10.125
  125    HE2  TYR  47           2HE      TYR  47  -6.168  -0.639   9.059
  126    HH   TYR  47           HH       TYR  47  -7.300  -3.212  10.967
  127    H    GLU  48           H        GLU  48  -4.265  -1.634   3.688
  128    HA   GLU  48           HA       GLU  48  -6.575  -0.123   4.417
  129   1HB   GLU  48          2HB       GLU  48  -4.779  -0.098   1.968
  130   2HB   GLU  48          1HB       GLU  48  -5.909   1.190   2.381
  131   1HG   GLU  48          2HG       GLU  48  -4.740   1.502   4.546
  132   2HG   GLU  48          1HG       GLU  48  -3.595   0.237   4.097
  133    H    THR  49           H        THR  49  -5.984  -2.494   1.857
  134    HA   THR  49           HA       THR  49  -8.241  -2.044   0.210
  135    HB   THR  49           HB       THR  49  -6.971  -4.677   1.035
  136    HG1  THR  49           1HG      THR  49  -6.294  -2.922  -1.084
  137   1HG2  THR  49          1HG2      THR  49  -8.546  -5.499  -0.363
  138   2HG2  THR  49          2HG2      THR  49  -7.607  -4.758  -1.658
  139   3HG2  THR  49          3HG2      THR  49  -8.973  -3.893  -0.953
  140    H    TYR  50           H        TYR  50  -7.937  -3.783   3.286
  141    HA   TYR  50           HA       TYR  50 -10.580  -4.933   3.317
  142   1HB   TYR  50          1HB       TYR  50  -8.625  -4.106   5.489
  143   2HB   TYR  50          2HB       TYR  50 -10.076  -5.060   5.793
  144    HD1  TYR  50           1HD      TYR  50 -10.309  -7.340   4.806
  145    HD2  TYR  50           2HD      TYR  50  -6.689  -5.062   4.451
  146    HE1  TYR  50           1HE      TYR  50  -9.075  -9.398   4.177
  147    HE2  TYR  50           2HE      TYR  50  -5.454  -7.117   3.825
  148    HH   TYR  50           HH       TYR  50  -7.123 -10.149   3.220
  149    H    GLY  51           H        GLY  51  -9.232  -1.905   4.655
  150   1HA   GLY  51          2HA       GLY  51 -11.130  -0.069   4.209
  151   2HA   GLY  51          1HA       GLY  51 -11.956  -1.031   5.435
  152   1HN   NH2  52          1H        GLY  51  -9.165  -1.568   6.687
  153   2HN   NH2  52          2H        GLY  51  -8.843  -0.153   7.567