*HEADER    TOXIN                                   21-FEB-18   6CGX              
*TITLE     BACKBONE CYCLISED CONOTOXIN VC1.1 MUTANT - D11A, E14A                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN VC1A;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 50-66;                                        
*COMPND   5 SYNONYM: ALPHA-VC1A, VC1.1;                                          
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS VICTORIAE;                                
*SOURCE   4 ORGANISM_COMMON: QUEEN VICTORIA CONE;                                
*SOURCE   5 ORGANISM_TAXID: 319920                                               
*KEYWDS    STRUCTURE FROM MOLMOL, TOXIN                                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    R.J.CLARK                                                             
*REVDAT   1   23-MAY-18 6CGX    0                                                
# Restraints file 1: restraints.tbl
#Distance restraints

  5 ASP  H       5 ASP  HB3     4.14            #peak 2
  5 ASP  H       5 ASP  HB2     4.14            #peak 3
 14 ALA  H      14 ALA  QB      3.43            #peak 11
  4 SER  H       4 SER  QB      3.76            #peak 20
  2 CYSS H       2 CYSS HB2     3.75            #peak 26
  2 CYSS H       2 CYSS HB3     3.75            #peak 27
 11 ALA  H      11 ALA  QB      3.82            #peak 35
 10 TYR  H      10 TYR  HB3     3.66            #peak 38
 10 TYR  H      10 TYR  HB2     3.66            #peak 39
 20 ALA  H      20 ALA  QB      3.79            #peak 48
 19 ALA  H      19 ALA  QB      3.77            #peak 49
  9 ASN  H       9 ASN  QB      3.42            #peak 56
  9 ASN  QB     10 TYR  H       3.54            #peak 58
  2 CYSS HB2     3 CYSS H       4.23            #peak 66
  2 CYSS HB3     3 CYSS H       4.23            #peak 67
 15 ILE  H      15 ILE  QD1     4.23            #peak 77
 15 ILE  H      15 ILE  HG12    4.48            #peak 78
 15 ILE  H      15 ILE  HB      4.17            #peak 79
 15 ILE  H      15 ILE  HG13    4.48            #peak 81
  8 CYSS HA     12 HIS  HD2     4.57            #peak 85
  9 ASN  QB      9 ASN  HD22    4.07            #peak 90
  9 ASN  QB      9 ASN  HD21    4.07            #peak 91
 10 TYR  HA     10 TYR  QD      4.00            #peak 92
  9 ASN  H      10 TYR  H       4.30            #peak 93
  8 CYSS H       9 ASN  H       3.83            #peak 94
  2 CYSS H       3 CYSS H       3.93            #peak 95
 18 GLY  H      19 ALA  H       4.46            #peak 96
 14 ALA  H      15 ILE  H       3.89            #peak 97
 16 CYSS H      17 GLY  H       4.24            #peak 98
  3 CYSS H       4 SER  H       3.91            #peak 99
 15 ILE  H      16 CYSS H       3.95            #peak 101
 11 ALA  H      12 HIS  H       4.03            #peak 102
 10 TYR  H      11 ALA  H       4.12            #peak 103
  5 ASP  HA      6 PRO  HD3     3.77            #peak 104
  5 ASP  HA      6 PRO  HD2     3.77            #peak 105
 12 HIS  H      13 PRO  HD3     5.06            #peak 124
 12 HIS  H      13 PRO  HD2     5.06            #peak 125
 16 CYSS HB2    17 GLY  H       5.03            #peak 127
 16 CYSS HB3    17 GLY  H       5.03            #peak 128
 12 HIS  HA     14 ALA  H       5.08            #peak 132
  8 CYSS HA     11 ALA  H       5.22            #peak 133
  6 PRO  HD2     7 ARG  H       4.78            #peak 134
  6 PRO  HD3     7 ARG  H       4.78            #peak 135
  4 SER  QB      5 ASP  H       5.06            #peak 136
  8 CYSS HA     12 HIS  HD1     4.84            #peak 138
  8 CYSS HB3    12 HIS  HD1     5.50            #peak 139
  8 CYSS HB2    12 HIS  HD1     5.50            #peak 140
 11 ALA  QB     12 HIS  HD1     4.08            #peak 141
  1 GLY  H      22 GLY  H       5.15            #peak 143
  1 GLY  H       2 CYSS H       5.08            #peak 144
  2 CYSS HA      4 SER  H       5.49            #peak 146
  5 ASP  HA      7 ARG  H       5.50            #peak 149
  7 ARG  H       9 ASN  H       5.23            #peak 150
  7 ARG  H       8 CYSS H       3.86            #peak 151
  8 CYSS H       9 ASN  QB      5.11            #peak 155
 13 PRO  QG     14 ALA  H       5.50            #peak 156
  1 GLY  H      22 GLY  QA      3.79            #peak 32
  2 CYSS QB      3 CYSS H       3.53            #peak 67
  2 CYSS QB      4 SER  H       5.34            #peak 147
  3 CYSS H       3 CYSS QB      3.45            #peak 23
  5 ASP  H       5 ASP  QB      3.44            #peak 3
  5 ASP  HA      6 PRO  QD      3.23            #peak 104
  5 ASP  QB      8 CYSS H       4.34            #peak 154
  6 PRO  QD      7 ARG  H       4.12            #peak 134
  7 ARG  H       7 ARG  QG      3.99            #peak 72
  7 ARG  HE     10 TYR  QB      4.42            #peak 84
  8 CYSS H       8 CYSS QB      3.48            #peak 64
  8 CYSS QB      9 ASN  H       4.10            #peak 42
  9 ASN  HA      9 ASN  QD2     4.65            #peak 129
  9 ASN  QD2    16 CYSS QB      3.83            #peak 130
 10 TYR  H      10 TYR  QB      3.10            #peak 39
 12 HIS  H      13 PRO  QD      4.30            #peak 125
 12 HIS  HA     13 PRO  QD      3.52            #peak 106
 12 HIS  QB     12 HIS  HD2     3.46            #peak 83
 13 PRO  QD     14 ALA  H       4.29            #peak 122
 15 ILE  H      15 ILE  QG1     3.87            #peak 78
 16 CYSS H      16 CYSS QB      3.64            #peak 62
 16 CYSS QB     17 GLY  H       4.42            #peak 128


!Dihedrals

   2 CYSS  PHI     -72.9   -52.9
   2 CYSS  PSI     -44.1   -24.1
   3 CYSS  PHI     -79.9   -59.9
   3 CYSS  PSI     -46.0   -19.2
   4 SER   PHI     -85.7   -57.1
   4 SER   PSI     -49.6   -15.6
   5 ASP   PHI    -169.0   -45.7
   5 ASP   PSI      62.6   152.3
   7 ARG   PHI     -73.9   -53.9
   7 ARG   PSI     -53.9   -33.9
   8 CYSS  PHI     -74.8   -54.8
   8 CYSS  PSI     -48.8   -28.8
   9 ASN   PHI     -74.3   -54.3
   9 ASN   PSI     -50.9   -30.9
  10 TYR   PHI     -74.6   -54.6
  10 TYR   PSI     -52.8   -32.8
  11 ALA   PHI     -76.1   -56.1
  11 ALA   PSI     -45.6   -21.0
  14 ALA   PHI     -83.5   -55.5
  14 ALA   PSI     -45.8   -13.5
  15 ILE   PHI    -155.8   -98.7
  15 ILE   PSI     128.3   177.1
  17 GLY   PHI     -72.0   -47.6
  17 GLY   PSI     -56.2   -22.8
  18 GLY   PHI     -73.2   -53.2
  18 GLY   PSI     -52.4   -23.6
  19 ALA   PHI     -77.1   -57.1
  19 ALA   PSI     -48.3   -28.3
  20 ALA   PHI     -75.6   -55.6
  20 ALA   PSI     -52.8   -28.8
  21 GLY   PHI     -70.7   -50.7
  21 GLY   PSI     -54.6   -23.6
  
  2 CYSS CHI1 -90 -30
  3 CYSS CHI1 -90 -30
  8 CYSS CHI1 -90 -30
  12 HIS CHI1 -90 -30
  5 ASP  CHI1 150 210
  10 TYR  CHI1 150 210
  16 CYSS PHI -90 -30

# DISULFIDE RESTRAINTS

  2 CYSS SG     8 CYSS SG      1.98   5.0
  2 CYSS SG     8 CYSS CB      2.90   5.0
  2 CYSS CB     8 CYSS SG      2.90   5.0
  3 CYSS SG     16 CYSS SG      1.98   5.0
  3 CYSS SG     16 CYSS CB      2.90   5.0
  3 CYSS CB     16 CYSS SG      2.90   5.0 

  2 CYSS SG     8 CYSS SG      2.12   5.0
  2 CYSS SG     8 CYSS CB      3.50   5.0
  2 CYSS CB     8 CYSS SG      3.50   5.0 
  3 CYSS SG     16 CYSS SG      2.12   5.0
  3 CYSS SG     16 CYSS CB      3.15   5.0 
  3 CYSS CB     16 CYSS SG      3.50   5.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -6.558   1.879  -3.925
    2    HA2  GLY   1           HA1      GLY   1  -6.880   2.548  -1.149
    3    HA3  GLY   1           HA2      GLY   1  -7.933   1.501  -2.120
    4    H    CYS   2           H        CYS   2  -4.370   1.856  -1.931
    5    HA   CYS   2           HA       CYS   2  -4.026  -1.020  -2.034
    6    HB3  CYS   2           HB2      CYS   2  -1.593  -0.133  -1.239
    7    H    CYS   3           H        CYS   3  -3.737   1.468   0.511
    8    HA   CYS   3           HA       CYS   3  -2.794  -0.248   2.563
    9    HB3  CYS   3           HB2      CYS   3  -4.198   1.542   4.001
   10    H    SER   4           H        SER   4  -6.039   0.360   1.314
   11    HA   SER   4           HA       SER   4  -7.381  -1.009   3.493
   12    HB3  SER   4           HB2      SER   4  -8.740  -0.856   0.851
   13    HG   SER   4           HG       SER   4 -10.338   0.118   2.210
   14    H    ASP   5           H        ASP   5  -6.082  -1.909   0.337
   15    HA   ASP   5           HA       ASP   5  -7.262  -4.603   0.520
   16    HB3  ASP   5           HB2      ASP   5  -5.171  -3.889  -1.512
   17    HA   PRO   6           HA       PRO   6  -3.839  -6.390   2.665
   18    HB3  PRO   6           HB2      PRO   6  -5.282  -8.109   3.188
   19    HG3  PRO   6           HG2      PRO   6  -6.939  -8.791   1.693
   20    HD3  PRO   6           HD2      PRO   6  -7.320  -6.510   1.706
   21    H    ARG   7           H        ARG   7  -4.424  -6.936  -0.770
   22    HA   ARG   7           HA       ARG   7  -2.071  -8.378  -1.400
   23    HB3  ARG   7           HB2      ARG   7  -3.707  -6.386  -3.001
   24    HG3  ARG   7           HG2      ARG   7  -1.509  -6.459  -4.031
   25    HD3  ARG   7           HD2      ARG   7  -0.546  -8.468  -3.217
   26    HE   ARG   7           HE       ARG   7  -2.031 -10.201  -2.863
   27   HH11  ARG   7          HH11      ARG   7  -2.285  -9.046  -6.190
   28   HH12  ARG   7          HH12      ARG   7  -3.365 -10.352  -6.688
   29   HH21  ARG   7          HH21      ARG   7  -3.425 -11.882  -3.514
   30   HH22  ARG   7          HH22      ARG   7  -4.010 -11.951  -5.179
   31    H    CYS   8           H        CYS   8  -2.659  -4.838  -1.563
   32    HA   CYS   8           HA       CYS   8   0.074  -4.222  -2.200
   33    HB3  CYS   8           HB2      CYS   8  -0.708  -1.885  -1.266
   34    H    ASN   9           H        ASN   9  -1.687  -4.705   0.804
   35    HA   ASN   9           HA       ASN   9   0.265  -3.470   2.521
   36    HB3  ASN   9           HB2      ASN   9  -1.444  -5.768   3.451
   37   HD21  ASN   9          HD21      ASN   9  -0.954  -2.247   3.859
   38   HD22  ASN   9          HD22      ASN   9  -0.655  -2.337   5.630
   39    H    TYR  10           H        TYR  10  -0.348  -6.869   1.570
   40    HA   TYR  10           HA       TYR  10   1.955  -7.837   3.050
   41    HB3  TYR  10           HB2      TYR  10   0.415  -9.216   0.820
   42    HD1  TYR  10           HD1      TYR  10   1.551 -10.195   4.235
   43    HD2  TYR  10           HD2      TYR  10   1.899 -10.846   0.046
   44    HE1  TYR  10           HE1      TYR  10   2.945 -12.174   4.666
   45    HE2  TYR  10           HE2      TYR  10   3.294 -12.829   0.464
   46    HH   TYR  10           HH       TYR  10   4.045 -14.266   2.010
   47    H    ALA  11           H        ALA  11   1.314  -6.750  -0.233
   48    HA   ALA  11           HA       ALA  11   3.809  -7.791  -1.309
   49    HB1  ALA  11           HB1      ALA  11   1.698  -7.310  -2.624
   50    HB2  ALA  11           HB2      ALA  11   2.107  -5.583  -2.484
   51    HB3  ALA  11           HB3      ALA  11   3.211  -6.694  -3.329
   52    H    HIS  12           H        HIS  12   2.652  -4.666  -0.063
   53    HA   HIS  12           HA       HIS  12   5.491  -3.719  -0.176
   54    HB3  HIS  12           HB2      HIS  12   4.857  -1.581  -0.751
   55    HD2  HIS  12           HD2      HIS  12   1.567  -1.139  -1.936
   56    HE1  HIS  12           HE1      HIS  12   3.066  -3.917  -4.768
   57    HE2  HIS  12           HE2      HIS  12   1.228  -2.225  -4.281
   58    HA   PRO  13           HA       PRO  13   3.952  -3.945   4.252
   59    HB3  PRO  13           HB2      PRO  13   4.582  -6.149   4.499
   60    HG3  PRO  13           HG2      PRO  13   6.195  -7.105   3.108
   61    HD3  PRO  13           HD2      PRO  13   4.810  -6.149   1.521
   62    H    ALA  14           H        ALA  14   7.165  -3.427   2.808
   63    HA   ALA  14           HA       ALA  14   8.411  -2.129   4.976
   64    HB1  ALA  14           HB1      ALA  14   9.708  -0.910   3.122
   65    HB2  ALA  14           HB2      ALA  14   9.771  -2.689   3.148
   66    HB3  ALA  14           HB3      ALA  14   8.713  -1.853   1.986
   67    H    ILE  15           H        ILE  15   6.405  -0.748   2.352
   68    HA   ILE  15           HA       ILE  15   5.598   1.424   4.149
   69    HB   ILE  15           HB       ILE  15   6.200   3.159   2.331
   70   HG13  ILE  15          HG12      ILE  15   6.955   1.164   0.793
   71   HG21  ILE  15          HG21      ILE  15   7.299   2.585   4.682
   72   HG22  ILE  15          HG22      ILE  15   8.687   2.160   3.650
   73   HG23  ILE  15          HG23      ILE  15   8.000   3.802   3.588
   74   HD11  ILE  15          HD11      ILE  15   8.938   3.421   0.925
   75   HD12  ILE  15          HD12      ILE  15   8.311   2.549  -0.496
   76   HD13  ILE  15          HD13      ILE  15   7.264   3.685   0.385
   77    H    CYS  16           H        CYS  16   3.539   1.914   3.795
   78    HA   CYS  16           HA       CYS  16   2.164   0.680   1.541
   79    HB3  CYS  16           HB2      CYS  16   1.077   2.658   3.579
   80    H    GLY  17           H        GLY  17   3.820   2.079   0.167
   81    HA2  GLY  17           HA1      GLY  17   3.074   4.848  -0.243
   82    HA3  GLY  17           HA2      GLY  17   4.109   3.863  -1.295
   83    H    GLY  18           H        GLY  18   2.143   1.766  -1.735
   84    HA2  GLY  18           HA1      GLY  18   0.941   2.732  -4.084
   85    HA3  GLY  18           HA2      GLY  18   0.401   1.300  -3.189
   86    H    ALA  19           H        ALA  19  -0.138   3.021  -0.771
   87    HA   ALA  19           HA       ALA  19  -2.905   3.388  -1.175
   88    HB1  ALA  19           HB1      ALA  19  -2.758   3.577   1.036
   89    HB2  ALA  19           HB2      ALA  19  -0.996   3.818   0.927
   90    HB3  ALA  19           HB3      ALA  19  -2.093   5.216   0.831
   91    H    ALA  20           H        ALA  20  -0.189   5.569  -1.727
   92    HA   ALA  20           HA       ALA  20  -1.564   8.022  -1.885
   93    HB1  ALA  20           HB1      ALA  20   0.934   7.608  -2.008
   94    HB2  ALA  20           HB2      ALA  20   0.697   7.222  -3.729
   95    HB3  ALA  20           HB3      ALA  20   0.292   8.844  -3.115
   96    H    GLY  21           H        GLY  21  -1.041   5.539  -4.409
   97    HA2  GLY  21           HA1      GLY  21  -2.409   7.056  -6.456
   98    HA3  GLY  21           HA2      GLY  21  -2.003   5.330  -6.513
   99    H    GLY  22           H        GLY  22  -3.393   4.366  -4.307
  100    HA2  GLY  22           HA1      GLY  22  -6.156   5.285  -4.413
  101    HA3  GLY  22           HA2      GLY  22  -5.898   3.795  -5.341
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -6.441   1.940  -3.946
    2    HA2  GLY   1           HA1      GLY   1  -6.887   2.525  -1.168
    3    HA3  GLY   1           HA2      GLY   1  -7.892   1.503  -2.213
    4    H    CYS   2           H        CYS   2  -4.337   1.845  -1.957
    5    HA   CYS   2           HA       CYS   2  -4.006  -1.032  -2.059
    6    HB3  CYS   2           HB2      CYS   2  -1.574  -0.158  -1.250
    7    H    CYS   3           H        CYS   3  -3.723   1.454   0.489
    8    HA   CYS   3           HA       CYS   3  -2.795  -0.264   2.546
    9    HB3  CYS   3           HB2      CYS   3  -4.204   1.528   3.976
   10    H    SER   4           H        SER   4  -6.031   0.349   1.276
   11    HA   SER   4           HA       SER   4  -7.392  -1.013   3.447
   12    HB3  SER   4           HB2      SER   4  -8.772  -0.908   0.833
   13    HG   SER   4           HG       SER   4 -10.309   0.190   2.167
   14    H    ASP   5           H        ASP   5  -6.070  -1.926   0.305
   15    HA   ASP   5           HA       ASP   5  -7.251  -4.619   0.494
   16    HB3  ASP   5           HB2      ASP   5  -5.154  -3.912  -1.534
   17    HA   PRO   6           HA       PRO   6  -3.835  -6.393   2.660
   18    HB3  PRO   6           HB2      PRO   6  -5.279  -8.111   3.187
   19    HG3  PRO   6           HG2      PRO   6  -6.930  -8.801   1.691
   20    HD3  PRO   6           HD2      PRO   6  -7.311  -6.520   1.690
   21    H    ARG   7           H        ARG   7  -4.409  -6.958  -0.774
   22    HA   ARG   7           HA       ARG   7  -2.054  -8.403  -1.390
   23    HB3  ARG   7           HB2      ARG   7  -3.683  -6.418  -3.005
   24    HG3  ARG   7           HG2      ARG   7  -1.481  -6.496  -4.026
   25    HD3  ARG   7           HD2      ARG   7  -0.525  -8.505  -3.200
   26    HE   ARG   7           HE       ARG   7  -1.982 -10.256  -2.859
   27   HH11  ARG   7          HH11      ARG   7  -2.327  -9.034  -6.154
   28   HH12  ARG   7          HH12      ARG   7  -3.432 -10.323  -6.645
   29   HH21  ARG   7          HH21      ARG   7  -3.409 -11.915  -3.500
   30   HH22  ARG   7          HH22      ARG   7  -4.043 -11.945  -5.149
   31    H    CYS   8           H        CYS   8  -2.640  -4.864  -1.572
   32    HA   CYS   8           HA       CYS   8   0.092  -4.248  -2.206
   33    HB3  CYS   8           HB2      CYS   8  -0.695  -1.909  -1.268
   34    H    ASN   9           H        ASN   9  -1.668  -4.725   0.798
   35    HA   ASN   9           HA       ASN   9   0.283  -3.488   2.513
   36    HB3  ASN   9           HB2      ASN   9  -0.965  -5.459   4.041
   37   HD21  ASN   9          HD21      ASN   9   0.168  -3.396   4.920
   38   HD22  ASN   9          HD22      ASN   9  -0.967  -2.083   5.393
   39    H    TYR  10           H        TYR  10  -0.333  -6.889   1.571
   40    HA   TYR  10           HA       TYR  10   1.969  -7.855   3.054
   41    HB3  TYR  10           HB2      TYR  10   0.441  -9.245   0.823
   42    HD1  TYR  10           HD1      TYR  10   1.297 -10.354   4.251
   43    HD2  TYR  10           HD2      TYR  10   2.156 -10.726   0.100
   44    HE1  TYR  10           HE1      TYR  10   2.677 -12.335   4.720
   45    HE2  TYR  10           HE2      TYR  10   3.539 -12.710   0.558
   46    HH   TYR  10           HH       TYR  10   4.136 -14.231   2.091
   47    H    ALA  11           H        ALA  11   1.328  -6.777  -0.233
   48    HA   ALA  11           HA       ALA  11   3.822  -7.825  -1.306
   49    HB1  ALA  11           HB1      ALA  11   2.125  -5.618  -2.488
   50    HB2  ALA  11           HB2      ALA  11   3.223  -6.737  -3.330
   51    HB3  ALA  11           HB3      ALA  11   1.708  -7.343  -2.620
   52    H    HIS  12           H        HIS  12   2.667  -4.691  -0.077
   53    HA   HIS  12           HA       HIS  12   5.506  -3.750  -0.187
   54    HB3  HIS  12           HB2      HIS  12   4.878  -1.615  -0.777
   55    HD2  HIS  12           HD2      HIS  12   1.591  -1.170  -1.971
   56    HE1  HIS  12           HE1      HIS  12   3.087  -3.973  -4.783
   57    HE2  HIS  12           HE2      HIS  12   1.254  -2.270  -4.309
   58    HA   PRO  13           HA       PRO  13   3.954  -3.947   4.238
   59    HB3  PRO  13           HB2      PRO  13   4.576  -6.151   4.497
   60    HG3  PRO  13           HG2      PRO  13   6.191  -7.119   3.119
   61    HD3  PRO  13           HD2      PRO  13   4.814  -6.169   1.523
   62    H    ALA  14           H        ALA  14   7.163  -3.434   2.789
   63    HA   ALA  14           HA       ALA  14   8.416  -2.134   4.953
   64    HB1  ALA  14           HB1      ALA  14   9.512  -0.814   2.882
   65    HB2  ALA  14           HB2      ALA  14   9.924  -2.497   3.295
   66    HB3  ALA  14           HB3      ALA  14   8.749  -2.159   2.001
   67    H    ILE  15           H        ILE  15   6.405  -0.753   2.334
   68    HA   ILE  15           HA       ILE  15   5.599   1.416   4.133
   69    HB   ILE  15           HB       ILE  15   6.201   3.152   2.314
   70   HG13  ILE  15          HG12      ILE  15   6.947   1.195   0.756
   71   HG21  ILE  15          HG21      ILE  15   7.247   2.719   4.657
   72   HG22  ILE  15          HG22      ILE  15   8.621   2.065   3.732
   73   HG23  ILE  15          HG23      ILE  15   8.111   3.754   3.494
   74   HD11  ILE  15          HD11      ILE  15   7.710   3.892   0.860
   75   HD12  ILE  15          HD12      ILE  15   9.205   2.973   0.559
   76   HD13  ILE  15          HD13      ILE  15   7.806   2.783  -0.526
   77    H    CYS  16           H        CYS  16   3.539   1.906   3.781
   78    HA   CYS  16           HA       CYS  16   2.167   0.675   1.524
   79    HB3  CYS  16           HB2      CYS  16   1.075   2.646   3.568
   80    H    GLY  17           H        GLY  17   3.821   2.085   0.156
   81    HA2  GLY  17           HA1      GLY  17   3.069   4.854  -0.245
   82    HA3  GLY  17           HA2      GLY  17   4.108   3.875  -1.297
   83    H    GLY  18           H        GLY  18   2.151   1.776  -1.752
   84    HA2  GLY  18           HA1      GLY  18   0.948   2.748  -4.098
   85    HA3  GLY  18           HA2      GLY  18   0.410   1.310  -3.208
   86    H    ALA  19           H        ALA  19  -0.139   3.015  -0.784
   87    HA   ALA  19           HA       ALA  19  -2.906   3.382  -1.193
   88    HB1  ALA  19           HB1      ALA  19  -1.002   3.805   0.915
   89    HB2  ALA  19           HB2      ALA  19  -2.109   5.196   0.829
   90    HB3  ALA  19           HB3      ALA  19  -2.760   3.550   1.019
   91    H    ALA  20           H        ALA  20  -0.191   5.570  -1.721
   92    HA   ALA  20           HA       ALA  20  -1.568   8.023  -1.866
   93    HB1  ALA  20           HB1      ALA  20   0.969   7.448  -2.064
   94    HB2  ALA  20           HB2      ALA  20   0.633   7.379  -3.810
   95    HB3  ALA  20           HB3      ALA  20   0.321   8.879  -2.903
   96    H    GLY  21           H        GLY  21  -1.137   5.487  -4.338
   97    HA2  GLY  21           HA1      GLY  21  -2.407   7.018  -6.439
   98    HA3  GLY  21           HA2      GLY  21  -2.101   5.270  -6.441
   99    H    GLY  22           H        GLY  22  -3.553   4.419  -4.252
  100    HA2  GLY  22           HA1      GLY  22  -6.260   5.505  -4.389
  101    HA3  GLY  22           HA2      GLY  22  -6.083   3.976  -5.268
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -6.459   2.061  -3.888
    2    HA2  GLY   1           HA1      GLY   1  -6.876   2.641  -1.104
    3    HA3  GLY   1           HA2      GLY   1  -7.898   1.632  -2.144
    4    H    CYS   2           H        CYS   2  -4.340   1.945  -1.901
    5    HA   CYS   2           HA       CYS   2  -4.030  -0.933  -2.028
    6    HB3  CYS   2           HB2      CYS   2  -1.589  -0.084  -1.218
    7    H    CYS   3           H        CYS   3  -3.723   1.529   0.539
    8    HA   CYS   3           HA       CYS   3  -2.804  -0.213   2.581
    9    HB3  CYS   3           HB2      CYS   3  -4.197   1.578   4.028
   10    H    SER   4           H        SER   4  -6.038   0.434   1.324
   11    HA   SER   4           HA       SER   4  -7.404  -0.936   3.486
   12    HB3  SER   4           HB2      SER   4  -8.141   0.288   0.866
   13    HG   SER   4           HG       SER   4 -10.231  -0.698   0.981
   14    H    ASP   5           H        ASP   5  -6.095  -1.832   0.335
   15    HA   ASP   5           HA       ASP   5  -7.294  -4.520   0.503
   16    HB3  ASP   5           HB2      ASP   5  -5.197  -3.810  -1.524
   17    HA   PRO   6           HA       PRO   6  -3.885  -6.334   2.646
   18    HB3  PRO   6           HB2      PRO   6  -5.340  -8.048   3.164
   19    HG3  PRO   6           HG2      PRO   6  -6.999  -8.713   1.664
   20    HD3  PRO   6           HD2      PRO   6  -7.366  -6.430   1.683
   21    H    ARG   7           H        ARG   7  -4.473  -6.875  -0.790
   22    HA   ARG   7           HA       ARG   7  -2.127  -8.327  -1.423
   23    HB3  ARG   7           HB2      ARG   7  -3.629  -6.260  -3.074
   24    HG3  ARG   7           HG2      ARG   7  -1.196  -7.475  -3.713
   25    HD3  ARG   7           HD2      ARG   7  -2.094  -8.746  -5.815
   26    HE   ARG   7           HE       ARG   7  -1.126  -9.697  -3.407
   27   HH11  ARG   7          HH11      ARG   7  -3.524 -10.775  -5.764
   28   HH12  ARG   7          HH12      ARG   7  -3.260 -12.491  -5.428
   29   HH21  ARG   7          HH21      ARG   7  -0.791 -11.911  -2.980
   30   HH22  ARG   7          HH22      ARG   7  -1.718 -13.131  -3.860
   31    H    CYS   8           H        CYS   8  -2.692  -4.782  -1.577
   32    HA   CYS   8           HA       CYS   8   0.043  -4.179  -2.213
   33    HB3  CYS   8           HB2      CYS   8  -0.730  -1.843  -1.249
   34    H    ASN   9           H        ASN   9  -1.712  -4.672   0.793
   35    HA   ASN   9           HA       ASN   9   0.252  -3.460   2.512
   36    HB3  ASN   9           HB2      ASN   9  -1.407  -5.747   3.502
   37   HD21  ASN   9          HD21      ASN   9  -1.173  -2.185   3.708
   38   HD22  ASN   9          HD22      ASN   9  -0.871  -2.150   5.480
   39    H    TYR  10           H        TYR  10  -0.388  -6.848   1.545
   40    HA   TYR  10           HA       TYR  10   1.915  -7.840   3.010
   41    HB3  TYR  10           HB2      TYR  10   0.336  -9.187   0.786
   42    HD1  TYR  10           HD1      TYR  10   1.566 -10.965  -0.023
   43    HD2  TYR  10           HD2      TYR  10   1.777 -10.070   4.130
   44    HE1  TYR  10           HE1      TYR  10   2.962 -12.960   0.328
   45    HE2  TYR  10           HE2      TYR  10   3.175 -12.062   4.493
   46    HH   TYR  10           HH       TYR  10   4.316 -13.719   3.534
   47    H    ALA  11           H        ALA  11   1.268  -6.731  -0.265
   48    HA   ALA  11           HA       ALA  11   3.753  -7.784  -1.356
   49    HB1  ALA  11           HB1      ALA  11   2.065  -5.556  -2.512
   50    HB2  ALA  11           HB2      ALA  11   3.154  -6.675  -3.367
   51    HB3  ALA  11           HB3      ALA  11   1.636  -7.279  -2.658
   52    H    HIS  12           H        HIS  12   2.621  -4.655  -0.097
   53    HA   HIS  12           HA       HIS  12   5.467  -3.730  -0.207
   54    HB3  HIS  12           HB2      HIS  12   4.851  -1.586  -0.778
   55    HD2  HIS  12           HD2      HIS  12   1.569  -1.107  -1.964
   56    HE1  HIS  12           HE1      HIS  12   3.036  -3.902  -4.798
   57    HE2  HIS  12           HE2      HIS  12   1.219  -2.188  -4.310
   58    HA   PRO  13           HA       PRO  13   3.923  -3.952   4.220
   59    HB3  PRO  13           HB2      PRO  13   4.531  -6.162   4.461
   60    HG3  PRO  13           HG2      PRO  13   6.135  -7.131   3.071
   61    HD3  PRO  13           HD2      PRO  13   4.762  -6.158   1.485
   62    H    ALA  14           H        ALA  14   7.132  -3.449   2.767
   63    HA   ALA  14           HA       ALA  14   8.401  -2.177   4.938
   64    HB1  ALA  14           HB1      ALA  14   9.093  -0.907   2.424
   65    HB2  ALA  14           HB2      ALA  14  10.062  -1.979   3.465
   66    HB3  ALA  14           HB3      ALA  14   8.971  -2.674   2.243
   67    H    ILE  15           H        ILE  15   6.392  -0.759   2.335
   68    HA   ILE  15           HA       ILE  15   5.605   1.401   4.156
   69    HB   ILE  15           HB       ILE  15   6.214   3.148   2.352
   70   HG13  ILE  15          HG12      ILE  15   7.017   1.041   0.883
   71   HG21  ILE  15          HG21      ILE  15   7.249   2.754   4.675
   72   HG22  ILE  15          HG22      ILE  15   8.594   1.989   3.798
   73   HG23  ILE  15          HG23      ILE  15   8.190   3.695   3.493
   74   HD11  ILE  15          HD11      ILE  15   7.493   2.629  -0.586
   75   HD12  ILE  15          HD12      ILE  15   7.392   3.835   0.720
   76   HD13  ILE  15          HD13      ILE  15   8.953   3.077   0.325
   77    H    CYS  16           H        CYS  16   3.550   1.906   3.813
   78    HA   CYS  16           HA       CYS  16   2.161   0.706   1.549
   79    HB3  CYS  16           HB2      CYS  16   1.089   2.664   3.615
   80    H    GLY  17           H        GLY  17   3.822   2.116   0.190
   81    HA2  GLY  17           HA1      GLY  17   3.087   4.892  -0.184
   82    HA3  GLY  17           HA2      GLY  17   4.115   3.917  -1.249
   83    H    GLY  18           H        GLY  18   2.145   1.835  -1.718
   84    HA2  GLY  18           HA1      GLY  18   0.941   2.835  -4.050
   85    HA3  GLY  18           HA2      GLY  18   0.396   1.394  -3.172
   86    H    ALA  19           H        ALA  19  -0.137   3.079  -0.732
   87    HA   ALA  19           HA       ALA  19  -2.901   3.469  -1.133
   88    HB1  ALA  19           HB1      ALA  19  -0.987   3.862   0.976
   89    HB2  ALA  19           HB2      ALA  19  -2.093   5.254   0.909
   90    HB3  ALA  19           HB3      ALA  19  -2.747   3.608   1.083
   91    H    ALA  20           H        ALA  20  -0.172   5.641  -1.644
   92    HA   ALA  20           HA       ALA  20  -1.528   8.105  -1.761
   93    HB1  ALA  20           HB1      ALA  20   0.808   8.197  -1.834
   94    HB2  ALA  20           HB2      ALA  20   0.906   7.041  -3.185
   95    HB3  ALA  20           HB3      ALA  20   0.310   8.694  -3.469
   96    H    GLY  21           H        GLY  21  -1.122   5.597  -4.264
   97    HA2  GLY  21           HA1      GLY  21  -2.392   7.158  -6.340
   98    HA3  GLY  21           HA2      GLY  21  -2.095   5.410  -6.365
   99    H    GLY  22           H        GLY  22  -3.541   4.509  -4.214
  100    HA2  GLY  22           HA1      GLY  22  -6.247   5.617  -4.328
  101    HA3  GLY  22           HA2      GLY  22  -6.072   4.089  -5.209
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -6.379   2.151  -4.012
    2    HA2  GLY   1           HA1      GLY   1  -6.870   2.676  -1.230
    3    HA3  GLY   1           HA2      GLY   1  -7.859   1.681  -2.314
    4    H    CYS   2           H        CYS   2  -4.309   2.009  -1.992
    5    HA   CYS   2           HA       CYS   2  -3.980  -0.865  -2.153
    6    HB3  CYS   2           HB2      CYS   2  -1.559  -0.014  -1.285
    7    H    CYS   3           H        CYS   3  -3.734   1.562   0.454
    8    HA   CYS   3           HA       CYS   3  -2.844  -0.204   2.489
    9    HB3  CYS   3           HB2      CYS   3  -4.273   1.561   3.934
   10    H    SER   4           H        SER   4  -6.057   0.445   1.178
   11    HA   SER   4           HA       SER   4  -7.456  -0.962   3.296
   12    HB3  SER   4           HB2      SER   4  -8.752  -0.758   0.629
   13    HG   SER   4           HG       SER   4 -10.375   0.205   1.966
   14    H    ASP   5           H        ASP   5  -6.084  -1.806   0.157
   15    HA   ASP   5           HA       ASP   5  -7.273  -4.502   0.266
   16    HB3  ASP   5           HB2      ASP   5  -5.142  -3.754  -1.711
   17    HA   PRO   6           HA       PRO   6  -3.896  -6.330   2.446
   18    HB3  PRO   6           HB2      PRO   6  -5.351  -8.058   2.912
   19    HG3  PRO   6           HG2      PRO   6  -6.979  -8.710   1.371
   20    HD3  PRO   6           HD2      PRO   6  -7.357  -6.429   1.416
   21    H    ARG   7           H        ARG   7  -4.415  -6.818  -1.009
   22    HA   ARG   7           HA       ARG   7  -2.052  -8.253  -1.617
   23    HB3  ARG   7           HB2      ARG   7  -2.821  -6.193  -3.591
   24    HG3  ARG   7           HG2      ARG   7  -1.541  -8.306  -4.085
   25    HD3  ARG   7           HD2      ARG   7  -3.521 -10.127  -4.601
   26    HE   ARG   7           HE       ARG   7  -1.389  -9.961  -2.625
   27   HH11  ARG   7          HH11      ARG   7  -4.121 -11.854  -3.815
   28   HH12  ARG   7          HH12      ARG   7  -3.491 -13.382  -3.189
   29   HH21  ARG   7          HH21      ARG   7  -0.582 -11.935  -1.820
   30   HH22  ARG   7          HH22      ARG   7  -1.497 -13.427  -2.062
   31    H    CYS   8           H        CYS   8  -2.630  -4.709  -1.730
   32    HA   CYS   8           HA       CYS   8   0.114  -4.084  -2.307
   33    HB3  CYS   8           HB2      CYS   8  -0.686  -1.767  -1.327
   34    H    ASN   9           H        ASN   9  -1.697  -4.626   0.657
   35    HA   ASN   9           HA       ASN   9   0.230  -3.432   2.432
   36    HB3  ASN   9           HB2      ASN   9  -1.665  -5.708   3.108
   37   HD21  ASN   9          HD21      ASN   9  -0.730  -2.430   4.189
   38   HD22  ASN   9          HD22      ASN   9  -0.391  -2.918   5.886
   39    H    TYR  10           H        TYR  10  -0.379  -6.809   1.404
   40    HA   TYR  10           HA       TYR  10   1.897  -7.815   2.901
   41    HB3  TYR  10           HB2      TYR  10   0.193  -9.049   0.705
   42    HD1  TYR  10           HD1      TYR  10   0.922 -10.987  -0.298
   43    HD2  TYR  10           HD2      TYR  10   2.562  -9.923   3.481
   44    HE1  TYR  10           HE1      TYR  10   2.403 -12.947  -0.395
   45    HE2  TYR  10           HE2      TYR  10   4.048 -11.881   3.394
   46    HH   TYR  10           HH       TYR  10   4.852 -13.535   2.113
   47    H    ALA  11           H        ALA  11   1.313  -6.661  -0.372
   48    HA   ALA  11           HA       ALA  11   3.823  -7.690  -1.426
   49    HB1  ALA  11           HB1      ALA  11   3.261  -6.559  -3.433
   50    HB2  ALA  11           HB2      ALA  11   1.730  -7.173  -2.763
   51    HB3  ALA  11           HB3      ALA  11   2.151  -5.453  -2.588
   52    H    HIS  12           H        HIS  12   2.653  -4.583  -0.146
   53    HA   HIS  12           HA       HIS  12   5.495  -3.644  -0.187
   54    HB3  HIS  12           HB2      HIS  12   4.881  -1.496  -0.741
   55    HD2  HIS  12           HD2      HIS  12   1.616  -1.017  -1.977
   56    HE1  HIS  12           HE1      HIS  12   3.151  -3.759  -4.828
   57    HE2  HIS  12           HE2      HIS  12   1.315  -2.062  -4.346
   58    HA   PRO  13           HA       PRO  13   3.868  -3.938   4.206
   59    HB3  PRO  13           HB2      PRO  13   4.482  -6.149   4.426
   60    HG3  PRO  13           HG2      PRO  13   6.117  -7.089   3.054
   61    HD3  PRO  13           HD2      PRO  13   4.769  -6.101   1.456
   62    H    ALA  14           H        ALA  14   7.102  -3.399   2.823
   63    HA   ALA  14           HA       ALA  14   8.321  -2.152   5.036
   64    HB1  ALA  14           HB1      ALA  14   8.669  -1.614   2.073
   65    HB2  ALA  14           HB2      ALA  14   9.755  -1.007   3.348
   66    HB3  ALA  14           HB3      ALA  14   9.589  -2.761   3.077
   67    H    ILE  15           H        ILE  15   6.357  -0.708   2.416
   68    HA   ILE  15           HA       ILE  15   5.526   1.423   4.250
   69    HB   ILE  15           HB       ILE  15   6.160   3.198   2.480
   70   HG13  ILE  15          HG12      ILE  15   6.967   1.182   0.950
   71   HG21  ILE  15          HG21      ILE  15   7.931   3.813   3.788
   72   HG22  ILE  15          HG22      ILE  15   7.218   2.567   4.838
   73   HG23  ILE  15          HG23      ILE  15   8.624   2.173   3.820
   74   HD11  ILE  15          HD11      ILE  15   7.091   3.399   0.099
   75   HD12  ILE  15          HD12      ILE  15   8.425   3.816   1.204
   76   HD13  ILE  15          HD13      ILE  15   8.693   2.654  -0.117
   77    H    CYS  16           H        CYS  16   3.473   1.925   3.874
   78    HA   CYS  16           HA       CYS  16   2.135   0.749   1.567
   79    HB3  CYS  16           HB2      CYS  16   1.014   2.674   3.638
   80    H    GLY  17           H        GLY  17   3.816   2.185   0.261
   81    HA2  GLY  17           HA1      GLY  17   3.074   4.964  -0.090
   82    HA3  GLY  17           HA2      GLY  17   4.129   4.009  -1.149
   83    H    GLY  18           H        GLY  18   2.175   1.923  -1.680
   84    HA2  GLY  18           HA1      GLY  18   1.013   2.950  -4.024
   85    HA3  GLY  18           HA2      GLY  18   0.458   1.494  -3.176
   86    H    ALA  19           H        ALA  19  -0.127   3.146  -0.723
   87    HA   ALA  19           HA       ALA  19  -2.887   3.526  -1.170
   88    HB1  ALA  19           HB1      ALA  19  -2.777   3.646   1.047
   89    HB2  ALA  19           HB2      ALA  19  -1.016   3.898   0.978
   90    HB3  ALA  19           HB3      ALA  19  -2.120   5.293   0.905
   91    H    ALA  20           H        ALA  20  -0.160   5.721  -1.604
   92    HA   ALA  20           HA       ALA  20  -1.531   8.178  -1.718
   93    HB1  ALA  20           HB1      ALA  20   0.611   7.790  -3.727
   94    HB2  ALA  20           HB2      ALA  20   0.428   9.028  -2.459
   95    HB3  ALA  20           HB3      ALA  20   1.043   7.411  -2.042
   96    H    GLY  21           H        GLY  21  -1.064   5.697  -4.236
   97    HA2  GLY  21           HA1      GLY  21  -2.295   7.274  -6.325
   98    HA3  GLY  21           HA2      GLY  21  -1.994   5.528  -6.360
   99    H    GLY  22           H        GLY  22  -3.482   4.631  -4.216
  100    HA2  GLY  22           HA1      GLY  22  -6.186   5.726  -4.374
  101    HA3  GLY  22           HA2      GLY  22  -5.997   4.216  -5.283
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -6.519   2.051  -3.855
    2    HA2  GLY   1           HA1      GLY   1  -6.921   2.651  -1.073
    3    HA3  GLY   1           HA2      GLY   1  -7.955   1.644  -2.104
    4    H    CYS   2           H        CYS   2  -4.392   1.927  -1.893
    5    HA   CYS   2           HA       CYS   2  -4.111  -0.955  -1.990
    6    HB3  CYS   2           HB2      CYS   2  -1.654  -0.121  -1.216
    7    H    CYS   3           H        CYS   3  -3.752   1.532   0.545
    8    HA   CYS   3           HA       CYS   3  -2.830  -0.198   2.596
    9    HB3  CYS   3           HB2      CYS   3  -4.189   1.624   4.038
   10    H    SER   4           H        SER   4  -6.070   0.468   1.366
   11    HA   SER   4           HA       SER   4  -7.425  -0.864   3.558
   12    HB3  SER   4           HB2      SER   4  -8.854  -0.756   0.978
   13    HG   SER   4           HG       SER   4 -10.326   0.414   2.322
   14    H    ASP   5           H        ASP   5  -6.159  -1.807   0.403
   15    HA   ASP   5           HA       ASP   5  -7.384  -4.480   0.613
   16    HB3  ASP   5           HB2      ASP   5  -5.302  -3.814  -1.444
   17    HA   PRO   6           HA       PRO   6  -3.972  -6.307   2.740
   18    HB3  PRO   6           HB2      PRO   6  -5.438  -7.999   3.290
   19    HG3  PRO   6           HG2      PRO   6  -7.120  -8.664   1.816
   20    HD3  PRO   6           HD2      PRO   6  -7.462  -6.377   1.815
   21    H    ARG   7           H        ARG   7  -4.599  -6.872  -0.685
   22    HA   ARG   7           HA       ARG   7  -2.277  -8.356  -1.326
   23    HB3  ARG   7           HB2      ARG   7  -3.050  -6.347  -3.340
   24    HG3  ARG   7           HG2      ARG   7  -3.710  -8.516  -4.560
   25    HD3  ARG   7           HD2      ARG   7  -1.223  -7.230  -4.112
   26    HE   ARG   7           HE       ARG   7   0.089  -8.964  -3.348
   27   HH11  ARG   7          HH11      ARG   7  -2.272 -10.178  -5.675
   28   HH12  ARG   7          HH12      ARG   7  -1.577 -11.804  -5.715
   29   HH21  ARG   7          HH21      ARG   7   0.979 -11.062  -3.404
   30   HH22  ARG   7          HH22      ARG   7   0.255 -12.301  -4.434
   31    H    CYS   8           H        CYS   8  -2.805  -4.808  -1.512
   32    HA   CYS   8           HA       CYS   8  -0.070  -4.242  -2.181
   33    HB3  CYS   8           HB2      CYS   8  -0.805  -1.887  -1.242
   34    H    ASN   9           H        ASN   9  -1.801  -4.681   0.846
   35    HA   ASN   9           HA       ASN   9   0.193  -3.472   2.533
   36    HB3  ASN   9           HB2      ASN   9  -1.079  -5.432   4.070
   37   HD21  ASN   9          HD21      ASN   9   0.231  -3.183   4.619
   38   HD22  ASN   9          HD22      ASN   9  -0.892  -1.936   5.261
   39    H    TYR  10           H        TYR  10  -0.494  -6.864   1.610
   40    HA   TYR  10           HA       TYR  10   1.810  -7.866   3.066
   41    HB3  TYR  10           HB2      TYR  10   0.118  -9.177   0.902
   42    HD1  TYR  10           HD1      TYR  10   0.637 -11.347   0.259
   43    HD2  TYR  10           HD2      TYR  10   2.476  -9.751   3.746
   44    HE1  TYR  10           HE1      TYR  10   2.053 -13.350   0.419
   45    HE2  TYR  10           HE2      TYR  10   3.898 -11.748   3.919
   46    HH   TYR  10           HH       TYR  10   4.445 -13.709   3.051
   47    H    ALA  11           H        ALA  11   1.147  -6.785  -0.217
   48    HA   ALA  11           HA       ALA  11   3.609  -7.878  -1.317
   49    HB1  ALA  11           HB1      ALA  11   3.005  -6.787  -3.335
   50    HB2  ALA  11           HB2      ALA  11   1.488  -7.364  -2.605
   51    HB3  ALA  11           HB3      ALA  11   1.935  -5.645  -2.484
   52    H    HIS  12           H        HIS  12   2.523  -4.723  -0.081
   53    HA   HIS  12           HA       HIS  12   5.377  -3.829  -0.229
   54    HB3  HIS  12           HB2      HIS  12   4.777  -1.685  -0.817
   55    HD2  HIS  12           HD2      HIS  12   1.484  -1.189  -1.969
   56    HE1  HIS  12           HE1      HIS  12   2.895  -4.021  -4.795
   57    HE2  HIS  12           HE2      HIS  12   1.098  -2.287  -4.301
   58    HA   PRO  13           HA       PRO  13   3.877  -3.991   4.215
   59    HB3  PRO  13           HB2      PRO  13   4.465  -6.205   4.473
   60    HG3  PRO  13           HG2      PRO  13   6.045  -7.203   3.077
   61    HD3  PRO  13           HD2      PRO  13   4.664  -6.233   1.495
   62    H    ALA  14           H        ALA  14   7.076  -3.536   2.726
   63    HA   ALA  14           HA       ALA  14   8.377  -2.253   4.871
   64    HB1  ALA  14           HB1      ALA  14  10.030  -1.988   3.387
   65    HB2  ALA  14           HB2      ALA  14   8.974  -2.842   2.238
   66    HB3  ALA  14           HB3      ALA  14   8.999  -1.062   2.270
   67    H    ILE  15           H        ILE  15   6.358  -0.844   2.271
   68    HA   ILE  15           HA       ILE  15   5.611   1.344   4.073
   69    HB   ILE  15           HB       ILE  15   6.220   3.065   2.242
   70   HG13  ILE  15          HG12      ILE  15   6.931   1.045   0.711
   71   HG21  ILE  15          HG21      ILE  15   7.310   2.548   4.581
   72   HG22  ILE  15          HG22      ILE  15   8.674   1.985   3.586
   73   HG23  ILE  15          HG23      ILE  15   8.098   3.662   3.438
   74   HD11  ILE  15          HD11      ILE  15   7.643   3.767   0.725
   75   HD12  ILE  15          HD12      ILE  15   9.133   2.857   0.372
   76   HD13  ILE  15          HD13      ILE  15   7.687   2.627  -0.640
   77    H    CYS  16           H        CYS  16   3.556   1.868   3.745
   78    HA   CYS  16           HA       CYS  16   2.134   0.654   1.510
   79    HB3  CYS  16           HB2      CYS  16   1.104   2.649   3.561
   80    H    GLY  17           H        GLY  17   3.797   2.030   0.117
   81    HA2  GLY  17           HA1      GLY  17   3.087   4.810  -0.284
   82    HA3  GLY  17           HA2      GLY  17   4.095   3.811  -1.346
   83    H    GLY  18           H        GLY  18   2.097   1.745  -1.770
   84    HA2  GLY  18           HA1      GLY  18   0.881   2.731  -4.103
   85    HA3  GLY  18           HA2      GLY  18   0.331   1.305  -3.203
   86    H    ALA  19           H        ALA  19  -0.159   3.027  -0.777
   87    HA   ALA  19           HA       ALA  19  -2.924   3.439  -1.153
   88    HB1  ALA  19           HB1      ALA  19  -2.071   5.246   0.852
   89    HB2  ALA  19           HB2      ALA  19  -2.748   3.612   1.058
   90    HB3  ALA  19           HB3      ALA  19  -0.986   3.837   0.930
   91    H    ALA  20           H        ALA  20  -0.179   5.580  -1.721
   92    HA   ALA  20           HA       ALA  20  -1.516   8.054  -1.859
   93    HB1  ALA  20           HB1      ALA  20   0.840   7.014  -3.455
   94    HB2  ALA  20           HB2      ALA  20   0.311   8.713  -3.442
   95    HB3  ALA  20           HB3      ALA  20   0.880   7.948  -1.940
   96    H    GLY  21           H        GLY  21  -1.161   5.504  -4.326
   97    HA2  GLY  21           HA1      GLY  21  -2.429   7.048  -6.416
   98    HA3  GLY  21           HA2      GLY  21  -2.155   5.295  -6.416
   99    H    GLY  22           H        GLY  22  -3.592   4.480  -4.203
  100    HA2  GLY  22           HA1      GLY  22  -6.283   5.612  -4.309
  101    HA3  GLY  22           HA2      GLY  22  -6.143   4.077  -5.187
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -6.443   2.169  -3.921
    2    HA2  GLY   1           HA1      GLY   1  -6.903   2.655  -1.127
    3    HA3  GLY   1           HA2      GLY   1  -7.899   1.667  -2.211
    4    H    CYS   2           H        CYS   2  -4.347   2.011  -1.930
    5    HA   CYS   2           HA       CYS   2  -4.007  -0.860  -2.130
    6    HB3  CYS   2           HB2      CYS   2  -1.580  -0.006  -1.282
    7    H    CYS   3           H        CYS   3  -3.740   1.538   0.502
    8    HA   CYS   3           HA       CYS   3  -2.815  -0.248   2.503
    9    HB3  CYS   3           HB2      CYS   3  -4.234   1.490   3.990
   10    H    SER   4           H        SER   4  -6.048   0.399   1.244
   11    HA   SER   4           HA       SER   4  -7.412  -1.042   3.361
   12    HB3  SER   4           HB2      SER   4  -8.751  -0.821   0.720
   13    HG   SER   4           HG       SER   4 -10.349   0.139   2.088
   14    H    ASP   5           H        ASP   5  -6.076  -1.841   0.195
   15    HA   ASP   5           HA       ASP   5  -7.249  -4.544   0.284
   16    HB3  ASP   5           HB2      ASP   5  -5.147  -3.760  -1.709
   17    HA   PRO   6           HA       PRO   6  -3.834  -6.381   2.400
   18    HB3  PRO   6           HB2      PRO   6  -5.275  -8.121   2.862
   19    HG3  PRO   6           HG2      PRO   6  -6.919  -8.763   1.335
   20    HD3  PRO   6           HD2      PRO   6  -7.308  -6.485   1.414
   21    H    ARG   7           H        ARG   7  -4.395  -6.828  -1.054
   22    HA   ARG   7           HA       ARG   7  -2.032  -8.242  -1.709
   23    HB3  ARG   7           HB2      ARG   7  -2.866  -6.150  -3.634
   24    HG3  ARG   7           HG2      ARG   7  -1.516  -8.218  -4.180
   25    HD3  ARG   7           HD2      ARG   7  -3.746  -9.927  -4.679
   26    HE   ARG   7           HE       ARG   7  -1.147 -10.147  -3.383
   27   HH11  ARG   7          HH11      ARG   7  -4.234 -11.735  -4.024
   28   HH12  ARG   7          HH12      ARG   7  -3.576 -13.363  -3.829
   29   HH21  ARG   7          HH21      ARG   7  -0.304 -12.250  -3.133
   30   HH22  ARG   7          HH22      ARG   7  -1.361 -13.653  -3.326
   31    H    CYS   8           H        CYS   8  -2.630  -4.701  -1.772
   32    HA   CYS   8           HA       CYS   8   0.103  -4.055  -2.373
   33    HB3  CYS   8           HB2      CYS   8  -0.694  -1.753  -1.358
   34    H    ASN   9           H        ASN   9  -1.668  -4.642   0.605
   35    HA   ASN   9           HA       ASN   9   0.273  -3.460   2.371
   36    HB3  ASN   9           HB2      ASN   9  -1.491  -5.783   3.156
   37   HD21  ASN   9          HD21      ASN   9  -0.764  -2.352   3.870
   38   HD22  ASN   9          HD22      ASN   9  -0.476  -2.617   5.625
   39    H    TYR  10           H        TYR  10  -0.328  -6.827   1.309
   40    HA   TYR  10           HA       TYR  10   1.972  -7.837   2.764
   41    HB3  TYR  10           HB2      TYR  10   0.649  -9.254   0.445
   42    HD1  TYR  10           HD1      TYR  10   0.341 -10.524   3.800
   43    HD2  TYR  10           HD2      TYR  10   2.889 -10.432   0.396
   44    HE1  TYR  10           HE1      TYR  10   1.537 -12.499   4.650
   45    HE2  TYR  10           HE2      TYR  10   4.092 -12.407   1.235
   46    HH   TYR  10           HH       TYR  10   4.270 -13.918   2.837
   47    H    ALA  11           H        ALA  11   1.340  -6.648  -0.485
   48    HA   ALA  11           HA       ALA  11   3.842  -7.650  -1.583
   49    HB1  ALA  11           HB1      ALA  11   1.732  -7.130  -2.888
   50    HB2  ALA  11           HB2      ALA  11   2.141  -5.408  -2.696
   51    HB3  ALA  11           HB3      ALA  11   3.247  -6.495  -3.570
   52    H    HIS  12           H        HIS  12   2.671  -4.564  -0.251
   53    HA   HIS  12           HA       HIS  12   5.507  -3.610  -0.317
   54    HB3  HIS  12           HB2      HIS  12   4.875  -1.457  -0.836
   55    HD2  HIS  12           HD2      HIS  12   1.590  -0.984  -2.023
   56    HE1  HIS  12           HE1      HIS  12   3.106  -3.680  -4.928
   57    HE2  HIS  12           HE2      HIS  12   1.264  -2.002  -4.400
   58    HA   PRO  13           HA       PRO  13   3.940  -3.967   4.092
   59    HB3  PRO  13           HB2      PRO  13   4.568  -6.176   4.278
   60    HG3  PRO  13           HG2      PRO  13   6.191  -7.092   2.873
   61    HD3  PRO  13           HD2      PRO  13   4.817  -6.090   1.305
   62    H    ALA  14           H        ALA  14   7.152  -3.394   2.677
   63    HA   ALA  14           HA       ALA  14   8.392  -2.166   4.888
   64    HB1  ALA  14           HB1      ALA  14   9.863  -1.084   3.264
   65    HB2  ALA  14           HB2      ALA  14   9.559  -2.778   2.814
   66    HB3  ALA  14           HB3      ALA  14   8.718  -1.466   1.955
   67    H    ILE  15           H        ILE  15   6.389  -0.702   2.310
   68    HA   ILE  15           HA       ILE  15   5.567   1.403   4.180
   69    HB   ILE  15           HB       ILE  15   6.170   3.202   2.424
   70   HG13  ILE  15          HG12      ILE  15   6.875   1.598   0.664
   71   HG21  ILE  15          HG21      ILE  15   7.246   2.586   4.761
   72   HG22  ILE  15          HG22      ILE  15   8.639   2.145   3.746
   73   HG23  ILE  15          HG23      ILE  15   7.989   3.802   3.693
   74   HD11  ILE  15          HD11      ILE  15   8.647   2.794  -0.183
   75   HD12  ILE  15          HD12      ILE  15   7.953   3.958   0.973
   76   HD13  ILE  15          HD13      ILE  15   9.400   3.019   1.413
   77    H    CYS  16           H        CYS  16   3.509   1.896   3.836
   78    HA   CYS  16           HA       CYS  16   2.147   0.742   1.534
   79    HB3  CYS  16           HB2      CYS  16   1.042   2.636   3.640
   80    H    GLY  17           H        GLY  17   3.803   2.202   0.221
   81    HA2  GLY  17           HA1      GLY  17   3.044   4.980  -0.086
   82    HA3  GLY  17           HA2      GLY  17   4.090   4.042  -1.169
   83    H    GLY  18           H        GLY  18   2.141   1.953  -1.703
   84    HA2  GLY  18           HA1      GLY  18   0.943   3.003  -4.018
   85    HA3  GLY  18           HA2      GLY  18   0.407   1.533  -3.180
   86    H    ALA  19           H        ALA  19  -0.156   3.153  -0.701
   87    HA   ALA  19           HA       ALA  19  -2.922   3.526  -1.109
   88    HB1  ALA  19           HB1      ALA  19  -1.027   3.881   1.020
   89    HB2  ALA  19           HB2      ALA  19  -2.140   5.270   0.978
   90    HB3  ALA  19           HB3      ALA  19  -2.785   3.617   1.108
   91    H    ALA  20           H        ALA  20  -0.213   5.738  -1.550
   92    HA   ALA  20           HA       ALA  20  -1.595   8.190  -1.617
   93    HB1  ALA  20           HB1      ALA  20   0.375   9.032  -2.287
   94    HB2  ALA  20           HB2      ALA  20   0.986   7.377  -2.055
   95    HB3  ALA  20           HB3      ALA  20   0.489   7.925  -3.675
   96    H    GLY  21           H        GLY  21  -1.151   5.741  -4.172
   97    HA2  GLY  21           HA1      GLY  21  -2.417   7.340  -6.223
   98    HA3  GLY  21           HA2      GLY  21  -2.108   5.595  -6.285
   99    H    GLY  22           H        GLY  22  -3.563   4.667  -4.128
  100    HA2  GLY  22           HA1      GLY  22  -6.273   5.749  -4.235
  101    HA3  GLY  22           HA2      GLY  22  -6.089   4.252  -5.170
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -6.394   2.133  -3.930
    2    HA2  GLY   1           HA1      GLY   1  -6.873   2.591  -1.134
    3    HA3  GLY   1           HA2      GLY   1  -7.855   1.604  -2.232
    4    H    CYS   2           H        CYS   2  -4.306   1.976  -1.929
    5    HA   CYS   2           HA       CYS   2  -3.940  -0.889  -2.152
    6    HB3  CYS   2           HB2      CYS   2  -1.527  -0.023  -1.282
    7    H    CYS   3           H        CYS   3  -3.710   1.486   0.505
    8    HA   CYS   3           HA       CYS   3  -2.782  -0.309   2.494
    9    HB3  CYS   3           HB2      CYS   3  -4.224   1.403   3.987
   10    H    SER   4           H        SER   4  -6.012   0.320   1.221
   11    HA   SER   4           HA       SER   4  -7.376  -1.150   3.318
   12    HB3  SER   4           HB2      SER   4  -8.593  -0.800   0.594
   13    HG   SER   4           HG       SER   4 -10.370  -0.170   1.933
   14    H    ASP   5           H        ASP   5  -6.015  -1.910   0.152
   15    HA   ASP   5           HA       ASP   5  -7.164  -4.623   0.211
   16    HB3  ASP   5           HB2      ASP   5  -5.059  -3.803  -1.764
   17    HA   PRO   6           HA       PRO   6  -3.747  -6.449   2.330
   18    HB3  PRO   6           HB2      PRO   6  -5.175  -8.205   2.768
   19    HG3  PRO   6           HG2      PRO   6  -6.804  -8.849   1.226
   20    HD3  PRO   6           HD2      PRO   6  -7.213  -6.575   1.323
   21    H    ARG   7           H        ARG   7  -4.284  -6.870  -1.131
   22    HA   ARG   7           HA       ARG   7  -1.906  -8.259  -1.786
   23    HB3  ARG   7           HB2      ARG   7  -2.743  -6.157  -3.697
   24    HG3  ARG   7           HG2      ARG   7  -1.424  -8.412  -4.062
   25    HD3  ARG   7           HD2      ARG   7  -3.486  -9.828  -5.192
   26    HE   ARG   7           HE       ARG   7  -1.668 -10.273  -3.038
   27   HH11  ARG   7          HH11      ARG   7  -4.760 -11.398  -4.319
   28   HH12  ARG   7          HH12      ARG   7  -4.578 -13.028  -3.660
   29   HH21  ARG   7          HH21      ARG   7  -1.440 -12.378  -2.192
   30   HH22  ARG   7          HH22      ARG   7  -2.707 -13.581  -2.461
   31    H    CYS   8           H        CYS   8  -2.533  -4.721  -1.820
   32    HA   CYS   8           HA       CYS   8   0.198  -4.047  -2.399
   33    HB3  CYS   8           HB2      CYS   8  -0.627  -1.761  -1.369
   34    H    ASN   9           H        ASN   9  -1.585  -4.676   0.563
   35    HA   ASN   9           HA       ASN   9   0.337  -3.492   2.351
   36    HB3  ASN   9           HB2      ASN   9  -1.073  -5.754   3.517
   37   HD21  ASN   9          HD21      ASN   9  -1.966  -2.351   2.937
   38   HD22  ASN   9          HD22      ASN   9  -1.765  -1.839   4.649
   39    H    TYR  10           H        TYR  10  -0.231  -6.855   1.253
   40    HA   TYR  10           HA       TYR  10   2.069  -7.860   2.715
   41    HB3  TYR  10           HB2      TYR  10   0.811  -9.288   0.373
   42    HD1  TYR  10           HD1      TYR  10   1.079  -9.946   4.037
   43    HD2  TYR  10           HD2      TYR  10   2.332 -11.036   0.121
   44    HE1  TYR  10           HE1      TYR  10   2.241 -11.907   4.962
   45    HE2  TYR  10           HE2      TYR  10   3.496 -13.001   1.033
   46    HH   TYR  10           HH       TYR  10   3.810 -14.290   2.840
   47    H    ALA  11           H        ALA  11   1.446  -6.647  -0.528
   48    HA   ALA  11           HA       ALA  11   3.963  -7.617  -1.621
   49    HB1  ALA  11           HB1      ALA  11   1.855  -7.103  -2.932
   50    HB2  ALA  11           HB2      ALA  11   2.250  -5.380  -2.724
   51    HB3  ALA  11           HB3      ALA  11   3.370  -6.450  -3.601
   52    H    HIS  12           H        HIS  12   2.758  -4.554  -0.266
   53    HA   HIS  12           HA       HIS  12   5.586  -3.575  -0.308
   54    HB3  HIS  12           HB2      HIS  12   4.937  -1.423  -0.811
   55    HD2  HIS  12           HD2      HIS  12   1.657  -0.967  -2.013
   56    HE1  HIS  12           HE1      HIS  12   3.211  -3.622  -4.933
   57    HE2  HIS  12           HE2      HIS  12   1.354  -1.964  -4.401
   58    HA   PRO  13           HA       PRO  13   3.996  -3.985   4.089
   59    HB3  PRO  13           HB2      PRO  13   4.642  -6.191   4.258
   60    HG3  PRO  13           HG2      PRO  13   6.282  -7.079   2.854
   61    HD3  PRO  13           HD2      PRO  13   4.908  -6.076   1.288
   62    H    ALA  14           H        ALA  14   7.212  -3.371   2.698
   63    HA   ALA  14           HA       ALA  14   8.428  -2.154   4.927
   64    HB1  ALA  14           HB1      ALA  14   9.140  -0.777   2.484
   65    HB2  ALA  14           HB2      ALA  14  10.104  -1.894   3.482
   66    HB3  ALA  14           HB3      ALA  14   9.032  -2.534   2.213
   67    H    ILE  15           H        ILE  15   6.426  -0.683   2.351
   68    HA   ILE  15           HA       ILE  15   5.578   1.397   4.235
   69    HB   ILE  15           HB       ILE  15   6.174   3.217   2.499
   70   HG13  ILE  15          HG12      ILE  15   6.904   1.621   0.735
   71   HG21  ILE  15          HG21      ILE  15   7.964   3.825   3.796
   72   HG22  ILE  15          HG22      ILE  15   7.248   2.573   4.837
   73   HG23  ILE  15          HG23      ILE  15   8.653   2.184   3.815
   74   HD11  ILE  15          HD11      ILE  15   8.190   3.216  -0.099
   75   HD12  ILE  15          HD12      ILE  15   8.287   3.966   1.513
   76   HD13  ILE  15          HD13      ILE  15   9.504   2.768   1.013
   77    H    CYS  16           H        CYS  16   3.516   1.876   3.885
   78    HA   CYS  16           HA       CYS  16   2.179   0.731   1.562
   79    HB3  CYS  16           HB2      CYS  16   1.045   2.598   3.679
   80    H    GLY  17           H        GLY  17   3.829   2.217   0.274
   81    HA2  GLY  17           HA1      GLY  17   3.048   4.992  -0.013
   82    HA3  GLY  17           HA2      GLY  17   4.108   4.074  -1.099
   83    H    GLY  18           H        GLY  18   2.180   1.973  -1.662
   84    HA2  GLY  18           HA1      GLY  18   0.986   3.032  -3.974
   85    HA3  GLY  18           HA2      GLY  18   0.458   1.552  -3.155
   86    H    ALA  19           H        ALA  19  -0.133   3.144  -0.664
   87    HA   ALA  19           HA       ALA  19  -2.901   3.495  -1.083
   88    HB1  ALA  19           HB1      ALA  19  -2.143   5.229   1.022
   89    HB2  ALA  19           HB2      ALA  19  -2.778   3.571   1.137
   90    HB3  ALA  19           HB3      ALA  19  -1.020   3.848   1.060
   91    H    ALA  20           H        ALA  20  -0.209   5.736  -1.489
   92    HA   ALA  20           HA       ALA  20  -1.613   8.174  -1.542
   93    HB1  ALA  20           HB1      ALA  20   0.266   9.097  -2.564
   94    HB2  ALA  20           HB2      ALA  20   0.925   7.675  -1.718
   95    HB3  ALA  20           HB3      ALA  20   0.628   7.610  -3.473
   96    H    GLY  21           H        GLY  21  -1.130   5.753  -4.116
   97    HA2  GLY  21           HA1      GLY  21  -2.397   7.357  -6.162
   98    HA3  GLY  21           HA2      GLY  21  -2.072   5.617  -6.235
   99    H    GLY  22           H        GLY  22  -3.533   4.656  -4.099
  100    HA2  GLY  22           HA1      GLY  22  -6.252   5.717  -4.214
  101    HA3  GLY  22           HA2      GLY  22  -6.050   4.229  -5.158
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -6.619   1.932  -3.817
    2    HA2  GLY   1           HA1      GLY   1  -6.959   2.593  -1.041
    3    HA3  GLY   1           HA2      GLY   1  -8.023   1.575  -2.030
    4    H    CYS   2           H        CYS   2  -4.454   1.831  -1.882
    5    HA   CYS   2           HA       CYS   2  -4.199  -1.054  -1.935
    6    HB3  CYS   2           HB2      CYS   2  -1.724  -0.228  -1.210
    7    H    CYS   3           H        CYS   3  -3.783   1.471   0.553
    8    HA   CYS   3           HA       CYS   3  -2.843  -0.231   2.619
    9    HB3  CYS   3           HB2      CYS   3  -4.168   1.624   4.051
   10    H    SER   4           H        SER   4  -6.096   0.440   1.424
   11    HA   SER   4           HA       SER   4  -7.430  -0.845   3.658
   12    HB3  SER   4           HB2      SER   4  -8.847  -0.731   1.052
   13    HG   SER   4           HG       SER   4 -10.373   0.350   2.413
   14    H    ASP   5           H        ASP   5  -6.217  -1.852   0.501
   15    HA   ASP   5           HA       ASP   5  -7.457  -4.512   0.775
   16    HB3  ASP   5           HB2      ASP   5  -5.401  -3.896  -1.323
   17    HA   PRO   6           HA       PRO   6  -4.025  -6.327   2.883
   18    HB3  PRO   6           HB2      PRO   6  -5.495  -7.998   3.484
   19    HG3  PRO   6           HG2      PRO   6  -7.204  -8.676   2.046
   20    HD3  PRO   6           HD2      PRO   6  -7.531  -6.387   2.011
   21    H    ARG   7           H        ARG   7  -4.710  -6.951  -0.522
   22    HA   ARG   7           HA       ARG   7  -2.407  -8.461  -1.172
   23    HB3  ARG   7           HB2      ARG   7  -3.324  -6.417  -3.141
   24    HG3  ARG   7           HG2      ARG   7  -3.751  -8.666  -4.409
   25    HD3  ARG   7           HD2      ARG   7  -1.560  -6.911  -4.163
   26    HE   ARG   7           HE       ARG   7  -0.584  -9.310  -3.240
   27   HH11  ARG   7          HH11      ARG   7  -0.145  -7.421  -6.189
   28   HH12  ARG   7          HH12      ARG   7   1.511  -7.983  -6.447
   29   HH21  ARG   7          HH21      ARG   7   1.552 -10.031  -3.580
   30   HH22  ARG   7          HH22      ARG   7   2.467  -9.455  -4.977
   31    H    CYS   8           H        CYS   8  -2.914  -4.913  -1.410
   32    HA   CYS   8           HA       CYS   8  -0.186  -4.377  -2.130
   33    HB3  CYS   8           HB2      CYS   8  -0.893  -2.002  -1.213
   34    H    ASN   9           H        ASN   9  -1.872  -4.754   0.930
   35    HA   ASN   9           HA       ASN   9   0.155  -3.532   2.566
   36    HB3  ASN   9           HB2      ASN   9  -1.373  -5.719   3.820
   37   HD21  ASN   9          HD21      ASN   9  -1.315  -2.174   3.343
   38   HD22  ASN   9          HD22      ASN   9  -1.159  -1.786   5.091
   39    H    TYR  10           H        TYR  10  -0.567  -6.934   1.710
   40    HA   TYR  10           HA       TYR  10   1.756  -7.925   3.145
   41    HB3  TYR  10           HB2      TYR  10   0.077  -9.293   1.007
   42    HD1  TYR  10           HD1      TYR  10   0.538 -11.528   0.538
   43    HD2  TYR  10           HD2      TYR  10   2.359  -9.721   3.931
   44    HE1  TYR  10           HE1      TYR  10   1.917 -13.539   0.861
   45    HE2  TYR  10           HE2      TYR  10   3.744 -11.725   4.263
   46    HH   TYR  10           HH       TYR  10   4.422 -13.671   3.380
   47    H    ALA  11           H        ALA  11   1.045  -6.896  -0.142
   48    HA   ALA  11           HA       ALA  11   3.482  -8.023  -1.264
   49    HB1  ALA  11           HB1      ALA  11   2.852  -6.959  -3.290
   50    HB2  ALA  11           HB2      ALA  11   1.343  -7.515  -2.527
   51    HB3  ALA  11           HB3      ALA  11   1.804  -5.798  -2.441
   52    H    HIS  12           H        HIS  12   2.436  -4.839  -0.066
   53    HA   HIS  12           HA       HIS  12   5.293  -3.969  -0.272
   54    HB3  HIS  12           HB2      HIS  12   4.701  -1.831  -0.888
   55    HD2  HIS  12           HD2      HIS  12   1.398  -1.328  -2.005
   56    HE1  HIS  12           HE1      HIS  12   2.745  -4.224  -4.797
   57    HE2  HIS  12           HE2      HIS  12   0.970  -2.465  -4.310
   58    HA   PRO  13           HA       PRO  13   3.859  -4.041   4.196
   59    HB3  PRO  13           HB2      PRO  13   4.433  -6.254   4.484
   60    HG3  PRO  13           HG2      PRO  13   5.986  -7.289   3.083
   61    HD3  PRO  13           HD2      PRO  13   4.589  -6.338   1.506
   62    H    ALA  14           H        ALA  14   7.038  -3.636   2.651
   63    HA   ALA  14           HA       ALA  14   8.382  -2.328   4.754
   64    HB1  ALA  14           HB1      ALA  14   8.976  -1.180   2.130
   65    HB2  ALA  14           HB2      ALA  14  10.015  -2.108   3.239
   66    HB3  ALA  14           HB3      ALA  14   8.927  -2.959   2.114
   67    H    ILE  15           H        ILE  15   6.334  -0.947   2.163
   68    HA   ILE  15           HA       ILE  15   5.630   1.277   3.940
   69    HB   ILE  15           HB       ILE  15   6.223   2.962   2.073
   70   HG13  ILE  15          HG12      ILE  15   6.824   1.236   0.385
   71   HG21  ILE  15          HG21      ILE  15   7.319   2.570   4.388
   72   HG22  ILE  15          HG22      ILE  15   8.642   1.826   3.459
   73   HG23  ILE  15          HG23      ILE  15   8.201   3.526   3.173
   74   HD11  ILE  15          HD11      ILE  15   7.846   3.517   0.261
   75   HD12  ILE  15          HD12      ILE  15   9.272   2.856   1.098
   76   HD13  ILE  15          HD13      ILE  15   8.803   2.222  -0.497
   77    H    CYS  16           H        CYS  16   3.574   1.809   3.636
   78    HA   CYS  16           HA       CYS  16   2.109   0.571   1.440
   79    HB3  CYS  16           HB2      CYS  16   1.124   2.604   3.476
   80    H    GLY  17           H        GLY  17   3.758   1.912   0.001
   81    HA2  GLY  17           HA1      GLY  17   3.061   4.691  -0.433
   82    HA3  GLY  17           HA2      GLY  17   4.047   3.669  -1.495
   83    H    GLY  18           H        GLY  18   2.030   1.609  -1.856
   84    HA2  GLY  18           HA1      GLY  18   0.784   2.567  -4.185
   85    HA3  GLY  18           HA2      GLY  18   0.237   1.160  -3.253
   86    H    ALA  19           H        ALA  19  -0.204   2.919  -0.849
   87    HA   ALA  19           HA       ALA  19  -2.971   3.349  -1.190
   88    HB1  ALA  19           HB1      ALA  19  -2.759   3.547   1.014
   89    HB2  ALA  19           HB2      ALA  19  -0.998   3.767   0.859
   90    HB3  ALA  19           HB3      ALA  19  -2.082   5.175   0.778
   91    H    ALA  20           H        ALA  20  -0.219   5.457  -1.832
   92    HA   ALA  20           HA       ALA  20  -1.537   7.941  -1.983
   93    HB1  ALA  20           HB1      ALA  20   0.369   8.730  -2.976
   94    HB2  ALA  20           HB2      ALA  20   0.993   7.204  -2.304
   95    HB3  ALA  20           HB3      ALA  20   0.550   7.304  -4.026
   96    H    GLY  21           H        GLY  21  -1.235   5.357  -4.424
   97    HA2  GLY  21           HA1      GLY  21  -2.529   6.883  -6.512
   98    HA3  GLY  21           HA2      GLY  21  -2.264   5.130  -6.494
   99    H    GLY  22           H        GLY  22  -3.671   4.322  -4.276
  100    HA2  GLY  22           HA1      GLY  22  -6.360   5.474  -4.356
  101    HA3  GLY  22           HA2      GLY  22  -6.234   3.920  -5.202
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -5.686   2.221  -3.721
    2    HA2  GLY   1           HA1      GLY   1  -5.888   2.951  -0.949
    3    HA3  GLY   1           HA2      GLY   1  -7.024   1.947  -1.868
    4    H    CYS   2           H        CYS   2  -3.448   2.083  -1.903
    5    HA   CYS   2           HA       CYS   2  -3.291  -0.811  -1.880
    6    HB3  CYS   2           HB2      CYS   2  -0.756  -0.066  -1.324
    7    H    CYS   3           H        CYS   3  -3.042   1.754   0.528
    8    HA   CYS   3           HA       CYS   3  -1.828   0.262   2.612
    9    HB3  CYS   3           HB2      CYS   3  -3.340   1.911   4.057
   10    H    SER   4           H        SER   4  -5.202   0.488   1.539
   11    HA   SER   4           HA       SER   4  -6.106  -1.200   3.776
   12    HB3  SER   4           HB2      SER   4  -8.148  -0.979   1.813
   13    HG   SER   4           HG       SER   4  -9.043   0.443   3.402
   14    H    ASP   5           H        ASP   5  -5.790  -1.420   0.222
   15    HA   ASP   5           HA       ASP   5  -6.845  -3.985  -0.151
   16    HB3  ASP   5           HB2      ASP   5  -4.472  -2.686  -1.545
   17    HA   PRO   6           HA       PRO   6  -4.132  -6.701   2.031
   18    HB3  PRO   6           HB2      PRO   6  -5.854  -8.230   1.930
   19    HG3  PRO   6           HG2      PRO   6  -7.280  -8.319   0.084
   20    HD3  PRO   6           HD2      PRO   6  -7.362  -6.055   0.550
   21    H    ARG   7           H        ARG   7  -4.315  -7.164  -1.528
   22    HA   ARG   7           HA       ARG   7  -1.869  -8.501  -1.859
   23    HB3  ARG   7           HB2      ARG   7  -2.240  -6.653  -4.037
   24    HG3  ARG   7           HG2      ARG   7  -1.439  -8.978  -4.260
   25    HD3  ARG   7           HD2      ARG   7  -3.850 -10.403  -4.464
   26    HE   ARG   7           HE       ARG   7  -1.387 -10.835  -3.283
   27   HH11  ARG   7          HH11      ARG   7  -4.757 -11.309  -2.343
   28   HH12  ARG   7          HH12      ARG   7  -4.402 -12.705  -1.318
   29   HH21  ARG   7          HH21      ARG   7  -0.936 -12.635  -1.959
   30   HH22  ARG   7          HH22      ARG   7  -2.247 -13.452  -1.101
   31    H    CYS   8           H        CYS   8  -2.509  -4.975  -1.979
   32    HA   CYS   8           HA       CYS   8   0.229  -4.255  -2.408
   33    HB3  CYS   8           HB2      CYS   8  -0.709  -2.019  -1.292
   34    H    ASN   9           H        ASN   9  -1.631  -5.054   0.449
   35    HA   ASN   9           HA       ASN   9   0.174  -3.864   2.355
   36    HB3  ASN   9           HB2      ASN   9  -1.284  -6.256   3.270
   37   HD21  ASN   9          HD21      ASN   9  -2.263  -2.852   3.227
   38   HD22  ASN   9          HD22      ASN   9  -1.942  -2.561   4.972
   39    H    TYR  10           H        TYR  10  -0.255  -7.210   1.148
   40    HA   TYR  10           HA       TYR  10   2.031  -8.182   2.652
   41    HB3  TYR  10           HB2      TYR  10   0.908  -9.596   0.237
   42    HD1  TYR  10           HD1      TYR  10   2.503 -11.287   0.035
   43    HD2  TYR  10           HD2      TYR  10   0.997 -10.323   3.894
   44    HE1  TYR  10           HE1      TYR  10   3.675 -13.235   0.973
   45    HE2  TYR  10           HE2      TYR  10   2.166 -12.267   4.845
   46    HH   TYR  10           HH       TYR  10   3.678 -13.879   4.469
   47    H    ALA  11           H        ALA  11   1.452  -6.978  -0.615
   48    HA   ALA  11           HA       ALA  11   4.050  -7.810  -1.621
   49    HB1  ALA  11           HB1      ALA  11   3.446  -6.766  -3.625
   50    HB2  ALA  11           HB2      ALA  11   1.894  -7.316  -2.950
   51    HB3  ALA  11           HB3      ALA  11   2.369  -5.606  -2.809
   52    H    HIS  12           H        HIS  12   2.671  -4.847  -0.231
   53    HA   HIS  12           HA       HIS  12   5.446  -3.721  -0.205
   54    HB3  HIS  12           HB2      HIS  12   4.684  -1.569  -0.620
   55    HD2  HIS  12           HD2      HIS  12   1.553  -1.216  -2.114
   56    HE1  HIS  12           HE1      HIS  12   3.425  -3.784  -4.924
   57    HE2  HIS  12           HE2      HIS  12   1.487  -2.179  -4.534
   58    HA   PRO  13           HA       PRO  13   3.815  -4.290   4.150
   59    HB3  PRO  13           HB2      PRO  13   4.652  -6.432   4.306
   60    HG3  PRO  13           HG2      PRO  13   6.389  -7.153   2.926
   61    HD3  PRO  13           HD2      PRO  13   4.963  -6.254   1.344
   62    H    ALA  14           H        ALA  14   6.967  -3.346   2.807
   63    HA   ALA  14           HA       ALA  14   7.956  -2.019   5.128
   64    HB1  ALA  14           HB1      ALA  14   9.391  -2.606   3.253
   65    HB2  ALA  14           HB2      ALA  14   8.513  -1.472   2.197
   66    HB3  ALA  14           HB3      ALA  14   9.470  -0.855   3.565
   67    H    ILE  15           H        ILE  15   6.157  -0.779   2.290
   68    HA   ILE  15           HA       ILE  15   4.964   1.299   3.971
   69    HB   ILE  15           HB       ILE  15   5.688   3.096   2.235
   70   HG13  ILE  15          HG12      ILE  15   6.907   1.088   0.958
   71   HG21  ILE  15          HG21      ILE  15   7.998   2.350   3.962
   72   HG22  ILE  15          HG22      ILE  15   7.146   3.903   3.790
   73   HG23  ILE  15          HG23      ILE  15   6.424   2.592   4.755
   74   HD11  ILE  15          HD11      ILE  15   7.407   2.786  -0.372
   75   HD12  ILE  15          HD12      ILE  15   7.266   3.941   0.977
   76   HD13  ILE  15          HD13      ILE  15   8.817   3.128   0.658
   77    H    CYS  16           H        CYS  16   2.933   1.581   3.353
   78    HA   CYS  16           HA       CYS  16   2.125   0.500   0.720
   79    HB3  CYS  16           HB2      CYS  16   0.834  -0.191   2.676
   80    H    GLY  17           H        GLY  17   3.654   2.761   0.418
   81    HA2  GLY  17           HA1      GLY  17   2.319   5.238   0.418
   82    HA3  GLY  17           HA2      GLY  17   3.591   4.774  -0.727
   83    H    GLY  18           H        GLY  18   1.816   2.466  -1.637
   84    HA2  GLY  18           HA1      GLY  18   0.792   3.660  -3.960
   85    HA3  GLY  18           HA2      GLY  18   0.229   2.117  -3.289
   86    H    ALA  19           H        ALA  19  -0.562   3.621  -0.757
   87    HA   ALA  19           HA       ALA  19  -3.306   3.877  -1.318
   88    HB1  ALA  19           HB1      ALA  19  -1.502   4.693   0.894
   89    HB2  ALA  19           HB2      ALA  19  -3.083   5.507   0.817
   90    HB3  ALA  19           HB3      ALA  19  -3.000   3.732   0.924
   91    H    ALA  20           H        ALA  20  -0.690   6.193  -1.688
   92    HA   ALA  20           HA       ALA  20  -2.146   8.598  -1.774
   93    HB1  ALA  20           HB1      ALA  20  -0.308   9.266  -3.482
   94    HB2  ALA  20           HB2      ALA  20   0.168   8.834  -1.822
   95    HB3  ALA  20           HB3      ALA  20   0.364   7.654  -3.141
   96    H    GLY  21           H        GLY  21  -1.326   6.406  -4.503
   97    HA2  GLY  21           HA1      GLY  21  -2.911   7.930  -6.388
   98    HA3  GLY  21           HA2      GLY  21  -2.237   6.308  -6.641
   99    H    GLY  22           H        GLY  22  -3.507   5.053  -4.382
  100    HA2  GLY  22           HA1      GLY  22  -6.400   5.416  -4.921
  101    HA3  GLY  22           HA2      GLY  22  -5.689   3.853  -5.365
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -5.737   2.261  -3.598
    2    HA2  GLY   1           HA1      GLY   1  -5.863   3.036  -0.834
    3    HA3  GLY   1           HA2      GLY   1  -7.044   2.049  -1.716
    4    H    CYS   2           H        CYS   2  -3.466   2.090  -1.820
    5    HA   CYS   2           HA       CYS   2  -3.385  -0.804  -1.764
    6    HB3  CYS   2           HB2      CYS   2  -0.822  -0.122  -1.259
    7    H    CYS   3           H        CYS   3  -3.069   1.774   0.613
    8    HA   CYS   3           HA       CYS   3  -1.838   0.298   2.697
    9    HB3  CYS   3           HB2      CYS   3  -3.321   1.968   4.145
   10    H    SER   4           H        SER   4  -5.228   0.539   1.677
   11    HA   SER   4           HA       SER   4  -6.104  -1.131   3.936
   12    HB3  SER   4           HB2      SER   4  -8.342  -0.981   2.614
   13    HG   SER   4           HG       SER   4  -8.641   1.183   3.374
   14    H    ASP   5           H        ASP   5  -5.814  -1.372   0.384
   15    HA   ASP   5           HA       ASP   5  -6.909  -3.923   0.025
   16    HB3  ASP   5           HB2      ASP   5  -4.403  -3.227  -1.471
   17    HA   PRO   6           HA       PRO   6  -4.230  -6.666   2.220
   18    HB3  PRO   6           HB2      PRO   6  -5.981  -8.165   2.143
   19    HG3  PRO   6           HG2      PRO   6  -7.420  -8.246   0.308
   20    HD3  PRO   6           HD2      PRO   6  -7.459  -5.977   0.753
   21    H    ARG   7           H        ARG   7  -4.449  -7.185  -1.330
   22    HA   ARG   7           HA       ARG   7  -2.016  -8.549  -1.648
   23    HB3  ARG   7           HB2      ARG   7  -2.058  -7.410  -3.993
   24    HG3  ARG   7           HG2      ARG   7  -4.242  -8.624  -4.608
   25    HD3  ARG   7           HD2      ARG   7  -1.708  -9.490  -4.388
   26    HE   ARG   7           HE       ARG   7  -2.787 -10.516  -2.008
   27   HH11  ARG   7          HH11      ARG   7  -1.263 -11.730  -4.952
   28   HH12  ARG   7          HH12      ARG   7  -0.555 -13.138  -4.151
   29   HH21  ARG   7          HH21      ARG   7  -1.871 -12.334  -0.980
   30   HH22  ARG   7          HH22      ARG   7  -0.898 -13.477  -1.911
   31    H    CYS   8           H        CYS   8  -2.641  -5.025  -1.825
   32    HA   CYS   8           HA       CYS   8   0.096  -4.328  -2.313
   33    HB3  CYS   8           HB2      CYS   8  -0.847  -2.072  -1.197
   34    H    ASN   9           H        ASN   9  -1.734  -5.050   0.584
   35    HA   ASN   9           HA       ASN   9   0.107  -3.831   2.440
   36    HB3  ASN   9           HB2      ASN   9  -1.273  -6.126   3.561
   37   HD21  ASN   9          HD21      ASN   9  -1.524  -2.626   2.901
   38   HD22  ASN   9          HD22      ASN   9  -1.691  -2.151   4.627
   39    H    TYR  10           H        TYR  10  -0.375  -7.202   1.319
   40    HA   TYR  10           HA       TYR  10   1.921  -8.163   2.815
   41    HB3  TYR  10           HB2      TYR  10   0.560  -9.525   0.467
   42    HD1  TYR  10           HD1      TYR  10   1.840 -10.170   3.938
   43    HD2  TYR  10           HD2      TYR  10   1.660 -11.456  -0.114
   44    HE1  TYR  10           HE1      TYR  10   3.216 -12.128   4.504
   45    HE2  TYR  10           HE2      TYR  10   3.035 -13.417   0.441
   46    HH   TYR  10           HH       TYR  10   3.926 -14.644   2.093
   47    H    ALA  11           H        ALA  11   1.313  -7.023  -0.469
   48    HA   ALA  11           HA       ALA  11   3.887  -7.911  -1.489
   49    HB1  ALA  11           HB1      ALA  11   1.740  -7.447  -2.815
   50    HB2  ALA  11           HB2      ALA  11   2.187  -5.728  -2.695
   51    HB3  ALA  11           HB3      ALA  11   3.277  -6.878  -3.508
   52    H    HIS  12           H        HIS  12   2.562  -4.905  -0.143
   53    HA   HIS  12           HA       HIS  12   5.347  -3.810  -0.181
   54    HB3  HIS  12           HB2      HIS  12   4.602  -1.655  -0.628
   55    HD2  HIS  12           HD2      HIS  12   1.481  -1.288  -2.122
   56    HE1  HIS  12           HE1      HIS  12   3.293  -3.958  -4.874
   57    HE2  HIS  12           HE2      HIS  12   1.388  -2.309  -4.518
   58    HA   PRO  13           HA       PRO  13   3.763  -4.257   4.205
   59    HB3  PRO  13           HB2      PRO  13   4.569  -6.408   4.401
   60    HG3  PRO  13           HG2      PRO  13   6.279  -7.185   3.016
   61    HD3  PRO  13           HD2      PRO  13   4.847  -6.301   1.431
   62    H    ALA  14           H        ALA  14   6.915  -3.395   2.806
   63    HA   ALA  14           HA       ALA  14   7.960  -2.035   5.079
   64    HB1  ALA  14           HB1      ALA  14   8.590  -2.282   2.234
   65    HB2  ALA  14           HB2      ALA  14   9.005  -0.685   2.902
   66    HB3  ALA  14           HB3      ALA  14   9.671  -2.161   3.642
   67    H    ILE  15           H        ILE  15   6.119  -0.818   2.255
   68    HA   ILE  15           HA       ILE  15   4.982   1.300   3.925
   69    HB   ILE  15           HB       ILE  15   5.696   3.060   2.144
   70   HG13  ILE  15          HG12      ILE  15   6.814   1.140   0.780
   71   HG21  ILE  15          HG21      ILE  15   7.863   2.119   4.030
   72   HG22  ILE  15          HG22      ILE  15   7.466   3.782   3.535
   73   HG23  ILE  15          HG23      ILE  15   6.357   2.882   4.599
   74   HD11  ILE  15          HD11      ILE  15   7.730   3.900   1.202
   75   HD12  ILE  15          HD12      ILE  15   8.953   2.807   0.509
   76   HD13  ILE  15          HD13      ILE  15   7.382   3.016  -0.302
   77    H    CYS  16           H        CYS  16   2.944   1.593   3.342
   78    HA   CYS  16           HA       CYS  16   2.076   0.483   0.739
   79    HB3  CYS  16           HB2      CYS  16   0.816  -0.167   2.733
   80    H    GLY  17           H        GLY  17   3.619   2.723   0.372
   81    HA2  GLY  17           HA1      GLY  17   2.308   5.213   0.366
   82    HA3  GLY  17           HA2      GLY  17   3.554   4.721  -0.796
   83    H    GLY  18           H        GLY  18   1.736   2.419  -1.637
   84    HA2  GLY  18           HA1      GLY  18   0.680   3.590  -3.958
   85    HA3  GLY  18           HA2      GLY  18   0.113   2.064  -3.253
   86    H    ALA  19           H        ALA  19  -0.614   3.611  -0.728
   87    HA   ALA  19           HA       ALA  19  -3.365   3.893  -1.245
   88    HB1  ALA  19           HB1      ALA  19  -3.119   5.519   0.868
   89    HB2  ALA  19           HB2      ALA  19  -2.984   3.748   0.995
   90    HB3  ALA  19           HB3      ALA  19  -1.514   4.751   0.924
   91    H    ALA  20           H        ALA  20  -0.728   6.181  -1.660
   92    HA   ALA  20           HA       ALA  20  -2.167   8.596  -1.761
   93    HB1  ALA  20           HB1      ALA  20  -0.088   8.400  -3.816
   94    HB2  ALA  20           HB2      ALA  20  -0.203   9.465  -2.393
   95    HB3  ALA  20           HB3      ALA  20   0.438   7.812  -2.220
   96    H    GLY  21           H        GLY  21  -1.372   6.376  -4.473
   97    HA2  GLY  21           HA1      GLY  21  -2.953   7.893  -6.365
   98    HA3  GLY  21           HA2      GLY  21  -2.290   6.266  -6.606
   99    H    GLY  22           H        GLY  22  -3.557   5.029  -4.344
  100    HA2  GLY  22           HA1      GLY  22  -6.452   5.404  -4.894
  101    HA3  GLY  22           HA2      GLY  22  -5.744   3.827  -5.289
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -5.725   2.295  -3.660
    2    HA2  GLY   1           HA1      GLY   1  -5.861   3.064  -0.894
    3    HA3  GLY   1           HA2      GLY   1  -7.038   2.077  -1.781
    4    H    CYS   2           H        CYS   2  -3.459   2.124  -1.878
    5    HA   CYS   2           HA       CYS   2  -3.374  -0.771  -1.825
    6    HB3  CYS   2           HB2      CYS   2  -0.812  -0.084  -1.313
    7    H    CYS   3           H        CYS   3  -3.066   1.805   0.556
    8    HA   CYS   3           HA       CYS   3  -1.837   0.328   2.640
    9    HB3  CYS   3           HB2      CYS   3  -3.329   1.995   4.085
   10    H    SER   4           H        SER   4  -5.225   0.567   1.612
   11    HA   SER   4           HA       SER   4  -6.105  -1.106   3.869
   12    HB3  SER   4           HB2      SER   4  -8.127  -0.828   1.836
   13    HG   SER   4           HG       SER   4  -9.108   0.417   3.522
   14    H    ASP   5           H        ASP   5  -5.798  -1.345   0.319
   15    HA   ASP   5           HA       ASP   5  -6.894  -3.896  -0.047
   16    HB3  ASP   5           HB2      ASP   5  -4.380  -3.196  -1.532
   17    HA   PRO   6           HA       PRO   6  -4.223  -6.640   2.157
   18    HB3  PRO   6           HB2      PRO   6  -5.973  -8.137   2.072
   19    HG3  PRO   6           HG2      PRO   6  -7.406  -8.216   0.231
   20    HD3  PRO   6           HD2      PRO   6  -7.446  -5.948   0.679
   21    H    ARG   7           H        ARG   7  -4.426  -7.136  -1.397
   22    HA   ARG   7           HA       ARG   7  -1.994  -8.508  -1.710
   23    HB3  ARG   7           HB2      ARG   7  -2.618  -6.541  -3.836
   24    HG3  ARG   7           HG2      ARG   7  -1.210  -8.638  -4.089
   25    HD3  ARG   7           HD2      ARG   7  -3.209 -10.447  -4.816
   26    HE   ARG   7           HE       ARG   7  -1.007 -10.424  -2.990
   27   HH11  ARG   7          HH11      ARG   7  -4.055 -12.079  -3.646
   28   HH12  ARG   7          HH12      ARG   7  -3.527 -13.601  -2.920
   29   HH21  ARG   7          HH21      ARG   7  -0.330 -12.390  -2.053
   30   HH22  ARG   7          HH22      ARG   7  -1.427 -13.775  -2.021
   31    H    CYS   8           H        CYS   8  -2.611  -4.982  -1.891
   32    HA   CYS   8           HA       CYS   8   0.133  -4.291  -2.354
   33    HB3  CYS   8           HB2      CYS   8  -0.814  -2.032  -1.247
   34    H    ASN   9           H        ASN   9  -1.722  -5.009   0.528
   35    HA   ASN   9           HA       ASN   9   0.105  -3.795   2.399
   36    HB3  ASN   9           HB2      ASN   9  -1.693  -6.167   2.981
   37   HD21  ASN   9          HD21      ASN   9  -1.302  -2.826   4.147
   38   HD22  ASN   9          HD22      ASN   9  -0.882  -3.289   5.832
   39    H    TYR  10           H        TYR  10  -0.369  -7.164   1.274
   40    HA   TYR  10           HA       TYR  10   1.914  -8.126   2.787
   41    HB3  TYR  10           HB2      TYR  10   0.641  -9.524   0.420
   42    HD1  TYR  10           HD1      TYR  10   1.824 -11.442  -0.024
   43    HD2  TYR  10           HD2      TYR  10   1.573 -10.108   4.008
   44    HE1  TYR  10           HE1      TYR  10   3.124 -13.402   0.699
   45    HE2  TYR  10           HE2      TYR  10   2.873 -12.062   4.742
   46    HH   TYR  10           HH       TYR  10   4.009 -13.862   4.127
   47    H    ALA  11           H        ALA  11   1.331  -6.987  -0.502
   48    HA   ALA  11           HA       ALA  11   3.910  -7.877  -1.505
   49    HB1  ALA  11           HB1      ALA  11   3.314  -6.848  -3.527
   50    HB2  ALA  11           HB2      ALA  11   1.769  -7.409  -2.843
   51    HB3  ALA  11           HB3      ALA  11   2.225  -5.692  -2.724
   52    H    HIS  12           H        HIS  12   2.580  -4.877  -0.157
   53    HA   HIS  12           HA       HIS  12   5.365  -3.779  -0.182
   54    HB3  HIS  12           HB2      HIS  12   4.621  -1.621  -0.625
   55    HD2  HIS  12           HD2      HIS  12   1.518  -1.251  -2.150
   56    HE1  HIS  12           HE1      HIS  12   3.356  -3.917  -4.889
   57    HE2  HIS  12           HE2      HIS  12   1.448  -2.266  -4.549
   58    HA   PRO  13           HA       PRO  13   3.760  -4.232   4.195
   59    HB3  PRO  13           HB2      PRO  13   4.568  -6.381   4.392
   60    HG3  PRO  13           HG2      PRO  13   6.285  -7.156   3.016
   61    HD3  PRO  13           HD2      PRO  13   4.860  -6.271   1.425
   62    H    ALA  14           H        ALA  14   6.917  -3.365   2.813
   63    HA   ALA  14           HA       ALA  14   7.948  -2.005   5.094
   64    HB1  ALA  14           HB1      ALA  14   8.486  -1.359   2.181
   65    HB2  ALA  14           HB2      ALA  14   9.527  -0.994   3.578
   66    HB3  ALA  14           HB3      ALA  14   9.259  -2.684   3.086
   67    H    ILE  15           H        ILE  15   6.125  -0.790   2.258
   68    HA   ILE  15           HA       ILE  15   4.977   1.328   3.919
   69    HB   ILE  15           HB       ILE  15   5.701   3.089   2.144
   70   HG13  ILE  15          HG12      ILE  15   6.828   1.167   0.785
   71   HG21  ILE  15          HG21      ILE  15   8.032   2.364   3.844
   72   HG22  ILE  15          HG22      ILE  15   7.164   3.908   3.680
   73   HG23  ILE  15          HG23      ILE  15   6.471   2.597   4.667
   74   HD11  ILE  15          HD11      ILE  15   7.142   3.366  -0.018
   75   HD12  ILE  15          HD12      ILE  15   8.198   3.796   1.349
   76   HD13  ILE  15          HD13      ILE  15   8.764   2.648   0.114
   77    H    CYS  16           H        CYS  16   2.942   1.620   3.324
   78    HA   CYS  16           HA       CYS  16   2.091   0.511   0.715
   79    HB3  CYS  16           HB2      CYS  16   0.819  -0.141   2.699
   80    H    GLY  17           H        GLY  17   3.635   2.749   0.354
   81    HA2  GLY  17           HA1      GLY  17   2.325   5.239   0.340
   82    HA3  GLY  17           HA2      GLY  17   3.575   4.746  -0.817
   83    H    GLY  18           H        GLY  18   1.760   2.445  -1.663
   84    HA2  GLY  18           HA1      GLY  18   0.717   3.613  -3.990
   85    HA3  GLY  18           HA2      GLY  18   0.144   2.089  -3.287
   86    H    ALA  19           H        ALA  19  -0.594   3.638  -0.767
   87    HA   ALA  19           HA       ALA  19  -3.340   3.924  -1.299
   88    HB1  ALA  19           HB1      ALA  19  -3.011   5.606   0.812
   89    HB2  ALA  19           HB2      ALA  19  -3.069   3.831   0.939
   90    HB3  ALA  19           HB3      ALA  19  -1.499   4.671   0.887
   91    H    ALA  20           H        ALA  20  -0.698   6.206  -1.707
   92    HA   ALA  20           HA       ALA  20  -2.131   8.625  -1.812
   93    HB1  ALA  20           HB1      ALA  20   0.397   7.621  -3.057
   94    HB2  ALA  20           HB2      ALA  20  -0.274   9.173  -3.616
   95    HB3  ALA  20           HB3      ALA  20   0.139   8.947  -1.899
   96    H    GLY  21           H        GLY  21  -1.339   6.398  -4.521
   97    HA2  GLY  21           HA1      GLY  21  -2.910   7.920  -6.418
   98    HA3  GLY  21           HA2      GLY  21  -2.255   6.289  -6.655
   99    H    GLY  22           H        GLY  22  -3.533   5.067  -4.387
  100    HA2  GLY  22           HA1      GLY  22  -6.425   5.455  -4.935
  101    HA3  GLY  22           HA2      GLY  22  -5.726   3.875  -5.342
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -5.824   2.238  -3.516
    2    HA2  GLY   1           HA1      GLY   1  -5.881   3.071  -0.766
    3    HA3  GLY   1           HA2      GLY   1  -7.090   2.077  -1.601
    4    H    CYS   2           H        CYS   2  -3.516   2.084  -1.794
    5    HA   CYS   2           HA       CYS   2  -3.455  -0.809  -1.677
    6    HB3  CYS   2           HB2      CYS   2  -0.876  -0.136  -1.241
    7    H    CYS   3           H        CYS   3  -3.075   1.813   0.640
    8    HA   CYS   3           HA       CYS   3  -1.805   0.373   2.725
    9    HB3  CYS   3           HB2      CYS   3  -3.256   2.077   4.170
   10    H    SER   4           H        SER   4  -5.217   0.616   1.780
   11    HA   SER   4           HA       SER   4  -6.049  -1.013   4.086
   12    HB3  SER   4           HB2      SER   4  -7.375   0.924   2.927
   13    HG   SER   4           HG       SER   4  -8.807   0.109   1.304
   14    H    ASP   5           H        ASP   5  -5.794  -1.317   0.541
   15    HA   ASP   5           HA       ASP   5  -6.931  -3.862   0.240
   16    HB3  ASP   5           HB2      ASP   5  -4.443  -3.212  -1.307
   17    HA   PRO   6           HA       PRO   6  -4.243  -6.592   2.437
   18    HB3  PRO   6           HB2      PRO   6  -6.005  -8.076   2.412
   19    HG3  PRO   6           HG2      PRO   6  -7.474  -8.174   0.602
   20    HD3  PRO   6           HD2      PRO   6  -7.488  -5.898   1.011
   21    H    ARG   7           H        ARG   7  -4.524  -7.167  -1.101
   22    HA   ARG   7           HA       ARG   7  -2.106  -8.558  -1.434
   23    HB3  ARG   7           HB2      ARG   7  -2.730  -6.650  -3.602
   24    HG3  ARG   7           HG2      ARG   7  -1.412  -8.801  -3.821
   25    HD3  ARG   7           HD2      ARG   7  -3.849 -10.356  -4.276
   26    HE   ARG   7           HE       ARG   7  -1.850 -11.392  -2.443
   27   HH11  ARG   7          HH11      ARG   7  -2.576 -10.661  -5.820
   28   HH12  ARG   7          HH12      ARG   7  -1.448 -11.868  -6.450
   29   HH21  ARG   7          HH21      ARG   7  -0.399 -12.947  -3.263
   30   HH22  ARG   7          HH22      ARG   7  -0.221 -13.157  -5.007
   31    H    CYS   8           H        CYS   8  -2.707  -5.033  -1.670
   32    HA   CYS   8           HA       CYS   8   0.030  -4.368  -2.210
   33    HB3  CYS   8           HB2      CYS   8  -0.880  -2.081  -1.129
   34    H    ASN   9           H        ASN   9  -1.767  -5.015   0.726
   35    HA   ASN   9           HA       ASN   9   0.105  -3.770   2.532
   36    HB3  ASN   9           HB2      ASN   9  -1.771  -6.093   3.118
   37   HD21  ASN   9          HD21      ASN   9  -0.648  -2.933   4.364
   38   HD22  ASN   9          HD22      ASN   9  -0.359  -3.520   6.038
   39    H    TYR  10           H        TYR  10  -0.410  -7.163   1.494
   40    HA   TYR  10           HA       TYR  10   1.902  -8.102   2.975
   41    HB3  TYR  10           HB2      TYR  10   0.596  -9.561   0.667
   42    HD1  TYR  10           HD1      TYR  10   0.233 -11.030   3.867
   43    HD2  TYR  10           HD2      TYR  10   3.039 -10.497   0.715
   44    HE1  TYR  10           HE1      TYR  10   1.504 -12.973   4.679
   45    HE2  TYR  10           HE2      TYR  10   4.317 -12.438   1.516
   46    HH   TYR  10           HH       TYR  10   4.402 -14.134   2.948
   47    H    ALA  11           H        ALA  11   1.250  -7.033  -0.323
   48    HA   ALA  11           HA       ALA  11   3.800  -7.960  -1.366
   49    HB1  ALA  11           HB1      ALA  11   3.167  -6.953  -3.394
   50    HB2  ALA  11           HB2      ALA  11   1.641  -7.516  -2.671
   51    HB3  ALA  11           HB3      ALA  11   2.085  -5.794  -2.585
   52    H    HIS  12           H        HIS  12   2.520  -4.921  -0.056
   53    HA   HIS  12           HA       HIS  12   5.312  -3.847  -0.162
   54    HB3  HIS  12           HB2      HIS  12   4.579  -1.695  -0.644
   55    HD2  HIS  12           HD2      HIS  12   1.440  -1.334  -2.104
   56    HE1  HIS  12           HE1      HIS  12   3.195  -4.081  -4.820
   57    HE2  HIS  12           HE2      HIS  12   1.309  -2.407  -4.476
   58    HA   PRO  13           HA       PRO  13   3.792  -4.184   4.254
   59    HB3  PRO  13           HB2      PRO  13   4.588  -6.335   4.486
   60    HG3  PRO  13           HG2      PRO  13   6.272  -7.154   3.094
   61    HD3  PRO  13           HD2      PRO  13   4.822  -6.297   1.511
   62    H    ALA  14           H        ALA  14   6.928  -3.375   2.792
   63    HA   ALA  14           HA       ALA  14   8.014  -1.971   5.017
   64    HB1  ALA  14           HB1      ALA  14   9.693  -1.299   3.589
   65    HB2  ALA  14           HB2      ALA  14   9.061  -2.718   2.723
   66    HB3  ALA  14           HB3      ALA  14   8.587  -1.080   2.212
   67    H    ILE  15           H        ILE  15   6.138  -0.806   2.195
   68    HA   ILE  15           HA       ILE  15   5.041   1.358   3.833
   69    HB   ILE  15           HB       ILE  15   5.736   3.073   2.005
   70   HG13  ILE  15          HG12      ILE  15   6.934   0.909   0.857
   71   HG21  ILE  15          HG21      ILE  15   7.228   3.916   3.494
   72   HG22  ILE  15          HG22      ILE  15   6.566   2.621   4.520
   73   HG23  ILE  15          HG23      ILE  15   8.105   2.376   3.660
   74   HD11  ILE  15          HD11      ILE  15   6.874   3.655   0.358
   75   HD12  ILE  15          HD12      ILE  15   8.598   3.212   0.329
   76   HD13  ILE  15          HD13      ILE  15   7.444   2.369  -0.731
   77    H    CYS  16           H        CYS  16   2.995   1.650   3.276
   78    HA   CYS  16           HA       CYS  16   2.079   0.488   0.714
   79    HB3  CYS  16           HB2      CYS  16   0.846  -0.111   2.740
   80    H    GLY  17           H        GLY  17   3.627   2.701   0.260
   81    HA2  GLY  17           HA1      GLY  17   2.334   5.203   0.224
   82    HA3  GLY  17           HA2      GLY  17   3.554   4.675  -0.951
   83    H    GLY  18           H        GLY  18   1.702   2.367  -1.702
   84    HA2  GLY  18           HA1      GLY  18   0.613   3.491  -4.030
   85    HA3  GLY  18           HA2      GLY  18   0.046   1.988  -3.278
   86    H    ALA  19           H        ALA  19  -0.621   3.600  -0.777
   87    HA   ALA  19           HA       ALA  19  -3.378   3.895  -1.251
   88    HB1  ALA  19           HB1      ALA  19  -2.969   3.802   0.981
   89    HB2  ALA  19           HB2      ALA  19  -1.481   4.771   0.866
   90    HB3  ALA  19           HB3      ALA  19  -3.071   5.572   0.819
   91    H    ALA  20           H        ALA  20  -0.729   6.148  -1.769
   92    HA   ALA  20           HA       ALA  20  -2.147   8.574  -1.895
   93    HB1  ALA  20           HB1      ALA  20   0.031   9.071  -2.139
   94    HB2  ALA  20           HB2      ALA  20   0.397   7.526  -2.944
   95    HB3  ALA  20           HB3      ALA  20  -0.287   8.876  -3.880
   96    H    GLY  21           H        GLY  21  -1.429   6.283  -4.572
   97    HA2  GLY  21           HA1      GLY  21  -3.032   7.773  -6.468
   98    HA3  GLY  21           HA2      GLY  21  -2.392   6.133  -6.683
   99    H    GLY  22           H        GLY  22  -3.630   4.977  -4.355
  100    HA2  GLY  22           HA1      GLY  22  -6.530   5.369  -4.853
  101    HA3  GLY  22           HA2      GLY  22  -5.851   3.776  -5.236
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -5.664   2.235  -3.792
    2    HA2  GLY   1           HA1      GLY   1  -5.862   2.988  -1.026
    3    HA3  GLY   1           HA2      GLY   1  -7.009   1.989  -1.940
    4    H    CYS   2           H        CYS   2  -3.431   2.088  -1.966
    5    HA   CYS   2           HA       CYS   2  -3.305  -0.807  -1.923
    6    HB3  CYS   2           HB2      CYS   2  -0.764  -0.085  -1.362
    7    H    CYS   3           H        CYS   3  -3.071   1.767   0.472
    8    HA   CYS   3           HA       CYS   3  -1.863   0.297   2.571
    9    HB3  CYS   3           HB2      CYS   3  -3.410   1.940   3.991
   10    H    SER   4           H        SER   4  -5.234   0.495   1.483
   11    HA   SER   4           HA       SER   4  -6.133  -1.196   3.719
   12    HB3  SER   4           HB2      SER   4  -8.021  -0.814   1.495
   13    HG   SER   4           HG       SER   4  -9.262   0.040   3.248
   14    H    ASP   5           H        ASP   5  -5.734  -1.423   0.179
   15    HA   ASP   5           HA       ASP   5  -6.795  -3.988  -0.214
   16    HB3  ASP   5           HB2      ASP   5  -4.265  -3.248  -1.652
   17    HA   PRO   6           HA       PRO   6  -4.126  -6.698   2.032
   18    HB3  PRO   6           HB2      PRO   6  -5.851  -8.223   1.909
   19    HG3  PRO   6           HG2      PRO   6  -7.245  -8.319   0.040
   20    HD3  PRO   6           HD2      PRO   6  -7.330  -6.052   0.493
   21    H    ARG   7           H        ARG   7  -4.250  -7.172  -1.529
   22    HA   ARG   7           HA       ARG   7  -1.798  -8.516  -1.806
   23    HB3  ARG   7           HB2      ARG   7  -1.947  -6.910  -4.073
   24    HG3  ARG   7           HG2      ARG   7  -1.783  -9.333  -4.147
   25    HD3  ARG   7           HD2      ARG   7  -4.420 -10.227  -4.026
   26    HE   ARG   7           HE       ARG   7  -1.984 -10.742  -2.550
   27   HH11  ARG   7          HH11      ARG   7  -5.469 -11.302  -2.628
   28   HH12  ARG   7          HH12      ARG   7  -5.369 -12.812  -1.715
   29   HH21  ARG   7          HH21      ARG   7  -1.863 -12.691  -1.372
   30   HH22  ARG   7          HH22      ARG   7  -3.336 -13.594  -1.006
   31    H    CYS   8           H        CYS   8  -2.433  -4.991  -2.018
   32    HA   CYS   8           HA       CYS   8   0.308  -4.275  -2.394
   33    HB3  CYS   8           HB2      CYS   8  -0.660  -2.029  -1.309
   34    H    ASN   9           H        ASN   9  -1.598  -5.038   0.443
   35    HA   ASN   9           HA       ASN   9   0.173  -3.821   2.363
   36    HB3  ASN   9           HB2      ASN   9  -1.627  -6.217   2.852
   37   HD21  ASN   9          HD21      ASN   9  -1.144  -2.927   4.141
   38   HD22  ASN   9          HD22      ASN   9  -0.780  -3.464   5.818
   39    H    TYR  10           H        TYR  10  -0.222  -7.180   1.181
   40    HA   TYR  10           HA       TYR  10   2.037  -8.131   2.737
   41    HB3  TYR  10           HB2      TYR  10   0.718  -9.452   0.338
   42    HD1  TYR  10           HD1      TYR  10   2.969 -10.456  -0.152
   43    HD2  TYR  10           HD2      TYR  10   0.974 -11.079   3.553
   44    HE1  TYR  10           HE1      TYR  10   4.411 -12.399   0.292
   45    HE2  TYR  10           HE2      TYR  10   2.410 -13.022   4.008
   46    HH   TYR  10           HH       TYR  10   4.234 -14.160   3.375
   47    H    ALA  11           H        ALA  11   1.519  -6.955  -0.550
   48    HA   ALA  11           HA       ALA  11   4.140  -7.786  -1.495
   49    HB1  ALA  11           HB1      ALA  11   3.555  -6.825  -3.524
   50    HB2  ALA  11           HB2      ALA  11   1.972  -7.275  -2.845
   51    HB3  ALA  11           HB3      ALA  11   2.529  -5.586  -2.763
   52    H    HIS  12           H        HIS  12   2.726  -4.834  -0.130
   53    HA   HIS  12           HA       HIS  12   5.491  -3.687  -0.069
   54    HB3  HIS  12           HB2      HIS  12   4.727  -1.541  -0.512
   55    HD2  HIS  12           HD2      HIS  12   1.638  -1.201  -2.085
   56    HE1  HIS  12           HE1      HIS  12   3.570  -3.799  -4.825
   57    HE2  HIS  12           HE2      HIS  12   1.629  -2.187  -4.497
   58    HA   PRO  13           HA       PRO  13   3.777  -4.231   4.256
   59    HB3  PRO  13           HB2      PRO  13   4.619  -6.367   4.445
   60    HG3  PRO  13           HG2      PRO  13   6.388  -7.091   3.105
   61    HD3  PRO  13           HD2      PRO  13   4.989  -6.209   1.487
   62    H    ALA  14           H        ALA  14   6.941  -3.272   2.961
   63    HA   ALA  14           HA       ALA  14   7.880  -1.924   5.294
   64    HB1  ALA  14           HB1      ALA  14   9.435  -2.452   3.573
   65    HB2  ALA  14           HB2      ALA  14   8.495  -1.558   2.353
   66    HB3  ALA  14           HB3      ALA  14   9.340  -0.676   3.648
   67    H    ILE  15           H        ILE  15   6.133  -0.718   2.409
   68    HA   ILE  15           HA       ILE  15   4.897   1.369   4.048
   69    HB   ILE  15           HB       ILE  15   5.643   3.155   2.312
   70   HG13  ILE  15          HG12      ILE  15   6.828   1.293   0.948
   71   HG21  ILE  15          HG21      ILE  15   6.228   2.962   4.785
   72   HG22  ILE  15          HG22      ILE  15   7.760   2.227   4.260
   73   HG23  ILE  15          HG23      ILE  15   7.357   3.890   3.768
   74   HD11  ILE  15          HD11      ILE  15   8.999   3.007   0.920
   75   HD12  ILE  15          HD12      ILE  15   7.535   3.132  -0.086
   76   HD13  ILE  15          HD13      ILE  15   7.649   4.042   1.438
   77    H    CYS  16           H        CYS  16   2.876   1.635   3.391
   78    HA   CYS  16           HA       CYS  16   2.124   0.526   0.753
   79    HB3  CYS  16           HB2      CYS  16   0.798  -0.156   2.690
   80    H    GLY  17           H        GLY  17   3.639   2.769   0.415
   81    HA2  GLY  17           HA1      GLY  17   2.305   5.250   0.386
   82    HA3  GLY  17           HA2      GLY  17   3.586   4.772  -0.746
   83    H    GLY  18           H        GLY  18   1.810   2.453  -1.632
   84    HA2  GLY  18           HA1      GLY  18   0.807   3.616  -3.981
   85    HA3  GLY  18           HA2      GLY  18   0.234   2.085  -3.291
   86    H    ALA  19           H        ALA  19  -0.574   3.624  -0.787
   87    HA   ALA  19           HA       ALA  19  -3.311   3.887  -1.378
   88    HB1  ALA  19           HB1      ALA  19  -1.526   4.605   0.851
   89    HB2  ALA  19           HB2      ALA  19  -3.009   5.586   0.743
   90    HB3  ALA  19           HB3      ALA  19  -3.120   3.813   0.861
   91    H    ALA  20           H        ALA  20  -0.680   6.186  -1.739
   92    HA   ALA  20           HA       ALA  20  -2.127   8.597  -1.864
   93    HB1  ALA  20           HB1      ALA  20   0.468   7.943  -2.137
   94    HB2  ALA  20           HB2      ALA  20   0.060   8.239  -3.845
   95    HB3  ALA  20           HB3      ALA  20  -0.199   9.517  -2.634
   96    H    GLY  21           H        GLY  21  -1.276   6.378  -4.562
   97    HA2  GLY  21           HA1      GLY  21  -2.826   7.890  -6.483
   98    HA3  GLY  21           HA2      GLY  21  -2.157   6.264  -6.709
   99    H    GLY  22           H        GLY  22  -3.469   5.047  -4.449
  100    HA2  GLY  22           HA1      GLY  22  -6.352   5.416  -5.037
  101    HA3  GLY  22           HA2      GLY  22  -5.644   3.846  -5.454
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -5.518   2.876  -2.876
    2    HA2  GLY   1           HA1      GLY   1  -7.714   1.933  -1.280
    3    HA3  GLY   1           HA2      GLY   1  -7.419   1.586  -2.995
    4    H    CYS   2           H        CYS   2  -4.476   1.544  -2.598
    5    HA   CYS   2           HA       CYS   2  -4.117  -1.218  -2.291
    6    HB3  CYS   2           HB2      CYS   2  -1.678  -0.318  -1.532
    7    H    CYS   3           H        CYS   3  -3.798   1.371   0.150
    8    HA   CYS   3           HA       CYS   3  -2.872  -0.272   2.271
    9    HB3  CYS   3           HB2      CYS   3  -4.253   1.596   3.633
   10    H    SER   4           H        SER   4  -6.111   0.325   0.998
   11    HA   SER   4           HA       SER   4  -7.468  -0.932   3.236
   12    HB3  SER   4           HB2      SER   4  -8.586  -0.606   0.434
   13    HG   SER   4           HG       SER   4 -10.512  -0.243   1.662
   14    H    ASP   5           H        ASP   5  -6.181  -1.983   0.124
   15    HA   ASP   5           HA       ASP   5  -7.395  -4.653   0.423
   16    HB3  ASP   5           HB2      ASP   5  -5.302  -4.052  -1.642
   17    HA   PRO   6           HA       PRO   6  -3.989  -6.387   2.635
   18    HB3  PRO   6           HB2      PRO   6  -5.450  -8.066   3.234
   19    HG3  PRO   6           HG2      PRO   6  -7.118  -8.791   1.772
   20    HD3  PRO   6           HD2      PRO   6  -7.473  -6.507   1.689
   21    H    ARG   7           H        ARG   7  -4.584  -7.055  -0.774
   22    HA   ARG   7           HA       ARG   7  -2.251  -8.555  -1.347
   23    HB3  ARG   7           HB2      ARG   7  -3.708  -6.542  -3.101
   24    HG3  ARG   7           HG2      ARG   7  -1.332  -7.657  -3.742
   25    HD3  ARG   7           HD2      ARG   7  -2.296  -9.443  -5.511
   26    HE   ARG   7           HE       ARG   7  -1.750 -10.705  -2.941
   27   HH11  ARG   7          HH11      ARG   7  -0.392  -8.926  -5.671
   28   HH12  ARG   7          HH12      ARG   7   1.242  -9.554  -5.425
   29   HH21  ARG   7          HH21      ARG   7   0.361 -11.511  -2.628
   30   HH22  ARG   7          HH22      ARG   7   1.665 -11.012  -3.708
   31    H    CYS   8           H        CYS   8  -2.797  -5.018  -1.654
   32    HA   CYS   8           HA       CYS   8  -0.056  -4.462  -2.318
   33    HB3  CYS   8           HB2      CYS   8  -0.812  -2.078  -1.483
   34    H    ASN   9           H        ASN   9  -1.826  -4.785   0.703
   35    HA   ASN   9           HA       ASN   9   0.143  -3.506   2.367
   36    HB3  ASN   9           HB2      ASN   9  -1.583  -5.734   3.412
   37   HD21  ASN   9          HD21      ASN   9  -1.027  -2.204   3.597
   38   HD22  ASN   9          HD22      ASN   9  -0.761  -2.183   5.376
   39    H    TYR  10           H        TYR  10  -0.517  -6.933   1.561
   40    HA   TYR  10           HA       TYR  10   1.770  -7.871   3.086
   41    HB3  TYR  10           HB2      TYR  10   0.346  -9.391   0.883
   42    HD1  TYR  10           HD1      TYR  10   0.718 -10.192   4.472
   43    HD2  TYR  10           HD2      TYR  10   2.132 -10.942   0.531
   44    HE1  TYR  10           HE1      TYR  10   1.966 -12.143   5.298
   45    HE2  TYR  10           HE2      TYR  10   3.384 -12.896   1.345
   46    HH   TYR  10           HH       TYR  10   3.917 -14.156   3.081
   47    H    ALA  11           H        ALA  11   1.154  -6.913  -0.242
   48    HA   ALA  11           HA       ALA  11   3.636  -8.035  -1.263
   49    HB1  ALA  11           HB1      ALA  11   1.968  -5.854  -2.534
   50    HB2  ALA  11           HB2      ALA  11   3.061  -7.013  -3.330
   51    HB3  ALA  11           HB3      ALA  11   1.536  -7.579  -2.605
   52    H    HIS  12           H        HIS  12   2.521  -4.848  -0.146
   53    HA   HIS  12           HA       HIS  12   5.372  -3.942  -0.296
   54    HB3  HIS  12           HB2      HIS  12   4.764  -1.819  -0.952
   55    HD2  HIS  12           HD2      HIS  12   1.483  -1.380  -2.156
   56    HE1  HIS  12           HE1      HIS  12   2.944  -4.287  -4.877
   57    HE2  HIS  12           HE2      HIS  12   1.130  -2.550  -4.458
   58    HA   PRO  13           HA       PRO  13   3.835  -3.977   4.139
   59    HB3  PRO  13           HB2      PRO  13   4.438  -6.176   4.470
   60    HG3  PRO  13           HG2      PRO  13   6.039  -7.204   3.118
   61    HD3  PRO  13           HD2      PRO  13   4.664  -6.296   1.496
   62    H    ALA  14           H        ALA  14   7.054  -3.554   2.675
   63    HA   ALA  14           HA       ALA  14   8.315  -2.187   4.790
   64    HB1  ALA  14           HB1      ALA  14   9.504  -0.986   2.753
   65    HB2  ALA  14           HB2      ALA  14   9.773  -2.711   3.101
   66    HB3  ALA  14           HB3      ALA  14   8.638  -2.229   1.818
   67    H    ILE  15           H        ILE  15   6.330  -0.885   2.110
   68    HA   ILE  15           HA       ILE  15   5.544   1.364   3.819
   69    HB   ILE  15           HB       ILE  15   6.173   3.018   1.937
   70   HG13  ILE  15          HG12      ILE  15   6.862   1.138   0.370
   71   HG21  ILE  15          HG21      ILE  15   8.574   1.957   3.407
   72   HG22  ILE  15          HG22      ILE  15   8.091   3.642   3.096
   73   HG23  ILE  15          HG23      ILE  15   7.207   2.667   4.296
   74   HD11  ILE  15          HD11      ILE  15   9.136   3.059   0.857
   75   HD12  ILE  15          HD12      ILE  15   8.637   2.295  -0.671
   76   HD13  ILE  15          HD13      ILE  15   7.607   3.536   0.081
   77    H    CYS  16           H        CYS  16   3.493   1.862   3.441
   78    HA   CYS  16           HA       CYS  16   2.111   0.560   1.228
   79    HB3  CYS  16           HB2      CYS  16   1.038   2.622   3.191
   80    H    GLY  17           H        GLY  17   3.785   1.892  -0.189
   81    HA2  GLY  17           HA1      GLY  17   3.335   4.638  -0.702
   82    HA3  GLY  17           HA2      GLY  17   3.959   3.465  -1.880
   83    H    GLY  18           H        GLY  18   1.546   1.787  -1.776
   84    HA2  GLY  18           HA1      GLY  18   0.134   2.943  -3.936
   85    HA3  GLY  18           HA2      GLY  18  -0.471   1.635  -2.904
   86    H    ALA  19           H        ALA  19  -0.167   3.506  -0.517
   87    HA   ALA  19           HA       ALA  19  -2.858   4.316  -0.338
   88    HB1  ALA  19           HB1      ALA  19  -0.868   5.944   1.149
   89    HB2  ALA  19           HB2      ALA  19  -2.314   5.083   1.727
   90    HB3  ALA  19           HB3      ALA  19  -0.812   4.184   1.404
   91    H    ALA  20           H        ALA  20  -0.049   5.989  -1.661
   92    HA   ALA  20           HA       ALA  20  -1.042   8.621  -1.729
   93    HB1  ALA  20           HB1      ALA  20   0.576   7.384  -3.962
   94    HB2  ALA  20           HB2      ALA  20   0.590   9.068  -3.382
   95    HB3  ALA  20           HB3      ALA  20   1.270   7.772  -2.370
   96    H    GLY  21           H        GLY  21  -1.321   6.078  -4.253
   97    HA2  GLY  21           HA1      GLY  21  -3.034   7.713  -5.916
   98    HA3  GLY  21           HA2      GLY  21  -2.740   5.972  -6.089
   99    H    GLY  22           H        GLY  22  -3.623   5.114  -3.541
  100    HA2  GLY  22           HA1      GLY  22  -5.769   5.551  -2.246
  101    HA3  GLY  22           HA2      GLY  22  -6.545   5.727  -3.832
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -5.875   2.692  -3.490
    2    HA2  GLY   1           HA1      GLY   1  -7.127   2.556  -0.907
    3    HA3  GLY   1           HA2      GLY   1  -7.722   1.838  -2.416
    4    H    CYS   2           H        CYS   2  -4.289   2.034  -1.777
    5    HA   CYS   2           HA       CYS   2  -4.057  -0.849  -2.003
    6    HB3  CYS   2           HB2      CYS   2  -1.594  -0.083  -1.166
    7    H    CYS   3           H        CYS   3  -3.723   1.525   0.638
    8    HA   CYS   3           HA       CYS   3  -2.825  -0.282   2.630
    9    HB3  CYS   3           HB2      CYS   3  -4.212   1.467   4.126
   10    H    SER   4           H        SER   4  -6.049   0.414   1.376
   11    HA   SER   4           HA       SER   4  -7.438  -1.002   3.489
   12    HB3  SER   4           HB2      SER   4  -9.283  -0.159   2.496
   13    HG   SER   4           HG       SER   4  -8.886   1.443   0.875
   14    H    ASP   5           H        ASP   5  -6.092  -1.842   0.337
   15    HA   ASP   5           HA       ASP   5  -7.290  -4.534   0.453
   16    HB3  ASP   5           HB2      ASP   5  -5.191  -3.784  -1.558
   17    HA   PRO   6           HA       PRO   6  -3.878  -6.373   2.572
   18    HB3  PRO   6           HB2      PRO   6  -5.328  -8.098   3.059
   19    HG3  PRO   6           HG2      PRO   6  -6.983  -8.745   1.547
   20    HD3  PRO   6           HD2      PRO   6  -7.357  -6.464   1.603
   21    H    ARG   7           H        ARG   7  -4.463  -6.876  -0.873
   22    HA   ARG   7           HA       ARG   7  -2.113  -8.306  -1.527
   23    HB3  ARG   7           HB2      ARG   7  -2.382  -7.121  -3.794
   24    HG3  ARG   7           HG2      ARG   7  -4.874  -8.048  -4.001
   25    HD3  ARG   7           HD2      ARG   7  -2.634  -8.967  -4.878
   26    HE   ARG   7           HE       ARG   7  -2.642 -10.232  -2.253
   27   HH11  ARG   7          HH11      ARG   7  -1.673 -10.525  -5.634
   28   HH12  ARG   7          HH12      ARG   7  -0.348 -11.641  -5.286
   29   HH21  ARG   7          HH21      ARG   7  -0.930 -11.673  -1.808
   30   HH22  ARG   7          HH22      ARG   7   0.069 -12.290  -3.129
   31    H    CYS   8           H        CYS   8  -2.678  -4.758  -1.618
   32    HA   CYS   8           HA       CYS   8   0.059  -4.145  -2.237
   33    HB3  CYS   8           HB2      CYS   8  -0.725  -1.830  -1.216
   34    H    ASN   9           H        ASN   9  -1.699  -4.701   0.753
   35    HA   ASN   9           HA       ASN   9   0.254  -3.515   2.503
   36    HB3  ASN   9           HB2      ASN   9  -1.187  -5.759   3.692
   37   HD21  ASN   9          HD21      ASN   9  -1.994  -2.326   3.163
   38   HD22  ASN   9          HD22      ASN   9  -1.742  -1.838   4.876
   39    H    TYR  10           H        TYR  10  -0.367  -6.891   1.472
   40    HA   TYR  10           HA       TYR  10   1.943  -7.894   2.917
   41    HB3  TYR  10           HB2      TYR  10   0.332  -9.192   0.687
   42    HD1  TYR  10           HD1      TYR  10   0.967 -10.874   3.813
   43    HD2  TYR  10           HD2      TYR  10   2.491 -10.233  -0.108
   44    HE1  TYR  10           HE1      TYR  10   2.396 -12.863   4.049
   45    HE2  TYR  10           HE2      TYR  10   3.923 -12.220   0.118
   46    HH   TYR  10           HH       TYR  10   4.399 -14.025   1.347
   47    H    ALA  11           H        ALA  11   1.286  -6.730  -0.336
   48    HA   ALA  11           HA       ALA  11   3.771  -7.753  -1.451
   49    HB1  ALA  11           HB1      ALA  11   3.165  -6.607  -3.439
   50    HB2  ALA  11           HB2      ALA  11   1.652  -7.230  -2.740
   51    HB3  ALA  11           HB3      ALA  11   2.073  -5.510  -2.562
   52    H    HIS  12           H        HIS  12   2.628  -4.642  -0.150
   53    HA   HIS  12           HA       HIS  12   5.473  -3.713  -0.230
   54    HB3  HIS  12           HB2      HIS  12   4.860  -1.564  -0.783
   55    HD2  HIS  12           HD2      HIS  12   1.589  -1.066  -1.987
   56    HE1  HIS  12           HE1      HIS  12   3.066  -3.840  -4.836
   57    HE2  HIS  12           HE2      HIS  12   1.251  -2.124  -4.345
   58    HA   PRO  13           HA       PRO  13   3.896  -3.986   4.182
   59    HB3  PRO  13           HB2      PRO  13   4.499  -6.199   4.403
   60    HG3  PRO  13           HG2      PRO  13   6.114  -7.153   3.014
   61    HD3  PRO  13           HD2      PRO  13   4.752  -6.162   1.429
   62    H    ALA  14           H        ALA  14   7.114  -3.465   2.758
   63    HA   ALA  14           HA       ALA  14   8.368  -2.221   4.951
   64    HB1  ALA  14           HB1      ALA  14   9.190  -0.865   2.588
   65    HB2  ALA  14           HB2      ALA  14  10.015  -2.180   3.457
   66    HB3  ALA  14           HB3      ALA  14   8.863  -2.560   2.155
   67    H    ILE  15           H        ILE  15   6.368  -0.774   2.359
   68    HA   ILE  15           HA       ILE  15   5.580   1.367   4.203
   69    HB   ILE  15           HB       ILE  15   6.187   3.133   2.420
   70   HG13  ILE  15          HG12      ILE  15   6.861   1.399   0.714
   71   HG21  ILE  15          HG21      ILE  15   8.659   2.067   3.727
   72   HG22  ILE  15          HG22      ILE  15   8.025   3.729   3.659
   73   HG23  ILE  15          HG23      ILE  15   7.282   2.536   4.753
   74   HD11  ILE  15          HD11      ILE  15   8.575   3.694   1.488
   75   HD12  ILE  15          HD12      ILE  15   9.258   2.519   0.338
   76   HD13  ILE  15          HD13      ILE  15   7.730   3.348  -0.039
   77    H    CYS  16           H        CYS  16   3.524   1.883   3.863
   78    HA   CYS  16           HA       CYS  16   2.135   0.700   1.590
   79    HB3  CYS  16           HB2      CYS  16   1.062   2.644   3.668
   80    H    GLY  17           H        GLY  17   3.819   2.142   0.267
   81    HA2  GLY  17           HA1      GLY  17   3.050   4.913  -0.092
   82    HA3  GLY  17           HA2      GLY  17   4.119   3.966  -1.144
   83    H    GLY  18           H        GLY  18   2.138   1.853  -1.614
   84    HA2  GLY  18           HA1      GLY  18   0.991   2.842  -3.989
   85    HA3  GLY  18           HA2      GLY  18   0.440   1.397  -3.120
   86    H    ALA  19           H        ALA  19  -0.116   3.154  -0.702
   87    HA   ALA  19           HA       ALA  19  -2.887   3.477  -1.110
   88    HB1  ALA  19           HB1      ALA  19  -2.743   3.728   1.094
   89    HB2  ALA  19           HB2      ALA  19  -0.985   3.979   0.977
   90    HB3  ALA  19           HB3      ALA  19  -2.093   5.366   0.849
   91    H    ALA  20           H        ALA  20  -0.205   5.706  -1.675
   92    HA   ALA  20           HA       ALA  20  -1.647   8.116  -1.920
   93    HB1  ALA  20           HB1      ALA  20   0.974   7.264  -2.348
   94    HB2  ALA  20           HB2      ALA  20   0.449   7.897  -3.926
   95    HB3  ALA  20           HB3      ALA  20   0.354   8.928  -2.478
   96    H    GLY  21           H        GLY  21  -1.262   5.425  -4.186
   97    HA2  GLY  21           HA1      GLY  21  -2.355   6.836  -6.461
   98    HA3  GLY  21           HA2      GLY  21  -2.183   5.080  -6.291
   99    H    GLY  22           H        GLY  22  -3.764   4.330  -4.298
  100    HA2  GLY  22           HA1      GLY  22  -6.212   5.454  -3.798
  101    HA3  GLY  22           HA2      GLY  22  -6.419   4.827  -5.446
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -5.789   2.535  -3.660
    2    HA2  GLY   1           HA1      GLY   1  -7.014   2.516  -1.062
    3    HA3  GLY   1           HA2      GLY   1  -7.630   1.738  -2.533
    4    H    CYS   2           H        CYS   2  -4.192   1.950  -1.874
    5    HA   CYS   2           HA       CYS   2  -3.958  -0.936  -2.026
    6    HB3  CYS   2           HB2      CYS   2  -1.508  -0.156  -1.169
    7    H    CYS   3           H        CYS   3  -3.668   1.498   0.563
    8    HA   CYS   3           HA       CYS   3  -2.804  -0.263   2.611
    9    HB3  CYS   3           HB2      CYS   3  -4.216   1.522   4.044
   10    H    SER   4           H        SER   4  -6.003   0.398   1.279
   11    HA   SER   4           HA       SER   4  -7.434  -0.961   3.403
   12    HB3  SER   4           HB2      SER   4  -8.188  -0.083   0.595
   13    HG   SER   4           HG       SER   4 -10.348  -0.624   1.216
   14    H    ASP   5           H        ASP   5  -6.024  -1.887   0.303
   15    HA   ASP   5           HA       ASP   5  -7.218  -4.580   0.479
   16    HB3  ASP   5           HB2      ASP   5  -5.100  -3.876  -1.528
   17    HA   PRO   6           HA       PRO   6  -3.824  -6.339   2.690
   18    HB3  PRO   6           HB2      PRO   6  -5.272  -8.056   3.211
   19    HG3  PRO   6           HG2      PRO   6  -6.907  -8.755   1.699
   20    HD3  PRO   6           HD2      PRO   6  -7.290  -6.475   1.684
   21    H    ARG   7           H        ARG   7  -4.367  -6.952  -0.745
   22    HA   ARG   7           HA       ARG   7  -2.005  -8.388  -1.330
   23    HB3  ARG   7           HB2      ARG   7  -2.264  -7.467  -3.635
   24    HG3  ARG   7           HG2      ARG   7  -4.478  -8.307  -4.130
   25    HD3  ARG   7           HD2      ARG   7  -4.302 -10.507  -3.238
   26    HE   ARG   7           HE       ARG   7  -1.450  -9.991  -3.023
   27   HH11  ARG   7          HH11      ARG   7  -4.225 -10.087  -5.204
   28   HH12  ARG   7          HH12      ARG   7  -3.240 -10.395  -6.639
   29   HH21  ARG   7          HH21      ARG   7  -0.186 -10.388  -4.879
   30   HH22  ARG   7          HH22      ARG   7  -0.963 -10.565  -6.456
   31    H    CYS   8           H        CYS   8  -2.580  -4.848  -1.531
   32    HA   CYS   8           HA       CYS   8   0.158  -4.237  -2.141
   33    HB3  CYS   8           HB2      CYS   8  -0.648  -1.902  -1.169
   34    H    ASN   9           H        ASN   9  -1.614  -4.737   0.850
   35    HA   ASN   9           HA       ASN   9   0.325  -3.502   2.583
   36    HB3  ASN   9           HB2      ASN   9  -0.913  -5.464   4.111
   37   HD21  ASN   9          HD21      ASN   9   0.156  -3.375   4.985
   38   HD22  ASN   9          HD22      ASN   9  -1.009  -2.077   5.421
   39    H    TYR  10           H        TYR  10  -0.283  -6.902   1.633
   40    HA   TYR  10           HA       TYR  10   2.024  -7.865   3.112
   41    HB3  TYR  10           HB2      TYR  10   0.408  -9.214   0.914
   42    HD1  TYR  10           HD1      TYR  10   1.839 -10.277   4.195
   43    HD2  TYR  10           HD2      TYR  10   1.814 -10.819  -0.026
   44    HE1  TYR  10           HE1      TYR  10   3.282 -12.253   4.446
   45    HE2  TYR  10           HE2      TYR  10   3.256 -12.797   0.215
   46    HH   TYR  10           HH       TYR  10   4.263 -14.191   1.613
   47    H    ALA  11           H        ALA  11   1.377  -6.784  -0.173
   48    HA   ALA  11           HA       ALA  11   3.872  -7.827  -1.250
   49    HB1  ALA  11           HB1      ALA  11   1.750  -7.343  -2.555
   50    HB2  ALA  11           HB2      ALA  11   2.175  -5.618  -2.431
   51    HB3  ALA  11           HB3      ALA  11   3.266  -6.747  -3.272
   52    H    HIS  12           H        HIS  12   2.706  -4.684  -0.045
   53    HA   HIS  12           HA       HIS  12   5.549  -3.748  -0.131
   54    HB3  HIS  12           HB2      HIS  12   4.936  -1.620  -0.756
   55    HD2  HIS  12           HD2      HIS  12   1.675  -1.166  -2.000
   56    HE1  HIS  12           HE1      HIS  12   3.179  -4.026  -4.750
   57    HE2  HIS  12           HE2      HIS  12   1.356  -2.299  -4.326
   58    HA   PRO  13           HA       PRO  13   3.925  -3.889   4.274
   59    HB3  PRO  13           HB2      PRO  13   4.522  -6.096   4.568
   60    HG3  PRO  13           HG2      PRO  13   6.148  -7.095   3.226
   61    HD3  PRO  13           HD2      PRO  13   4.805  -6.150   1.597
   62    H    ALA  14           H        ALA  14   7.143  -3.396   2.846
   63    HA   ALA  14           HA       ALA  14   8.398  -2.105   5.013
   64    HB1  ALA  14           HB1      ALA  14   9.520  -2.803   2.921
   65    HB2  ALA  14           HB2      ALA  14   8.727  -1.455   2.069
   66    HB3  ALA  14           HB3      ALA  14   9.892  -1.122   3.373
   67    H    ILE  15           H        ILE  15   6.394  -0.712   2.395
   68    HA   ILE  15           HA       ILE  15   5.594   1.458   4.196
   69    HB   ILE  15           HB       ILE  15   6.202   3.195   2.383
   70   HG13  ILE  15          HG12      ILE  15   6.890   1.468   0.698
   71   HG21  ILE  15          HG21      ILE  15   8.603   2.077   3.819
   72   HG22  ILE  15          HG22      ILE  15   8.142   3.774   3.545
   73   HG23  ILE  15          HG23      ILE  15   7.239   2.784   4.719
   74   HD11  ILE  15          HD11      ILE  15   7.953   3.916   0.977
   75   HD12  ILE  15          HD12      ILE  15   9.424   2.932   1.166
   76   HD13  ILE  15          HD13      ILE  15   8.432   2.778  -0.303
   77    H    CYS  16           H        CYS  16   3.537   1.959   3.843
   78    HA   CYS  16           HA       CYS  16   2.165   0.740   1.575
   79    HB3  CYS  16           HB2      CYS  16   1.066   2.690   3.635
   80    H    GLY  17           H        GLY  17   3.844   2.188   0.250
   81    HA2  GLY  17           HA1      GLY  17   3.052   4.950  -0.133
   82    HA3  GLY  17           HA2      GLY  17   4.131   4.003  -1.175
   83    H    GLY  18           H        GLY  18   2.180   1.872  -1.648
   84    HA2  GLY  18           HA1      GLY  18   1.023   2.846  -4.026
   85    HA3  GLY  18           HA2      GLY  18   0.490   1.392  -3.159
   86    H    ALA  19           H        ALA  19  -0.096   3.138  -0.739
   87    HA   ALA  19           HA       ALA  19  -2.870   3.422  -1.155
   88    HB1  ALA  19           HB1      ALA  19  -2.073   5.322   0.808
   89    HB2  ALA  19           HB2      ALA  19  -2.757   3.697   1.048
   90    HB3  ALA  19           HB3      ALA  19  -0.994   3.914   0.943
   91    H    ALA  20           H        ALA  20  -0.215   5.674  -1.737
   92    HA   ALA  20           HA       ALA  20  -1.669   8.076  -1.963
   93    HB1  ALA  20           HB1      ALA  20   0.858   7.688  -2.067
   94    HB2  ALA  20           HB2      ALA  20   0.617   7.358  -3.801
   95    HB3  ALA  20           HB3      ALA  20   0.180   8.947  -3.127
   96    H    GLY  21           H        GLY  21  -1.340   5.376  -4.218
   97    HA2  GLY  21           HA1      GLY  21  -2.417   6.755  -6.505
   98    HA3  GLY  21           HA2      GLY  21  -2.335   4.997  -6.280
   99    H    GLY  22           H        GLY  22  -3.931   4.397  -4.248
  100    HA2  GLY  22           HA1      GLY  22  -6.284   5.573  -3.661
  101    HA3  GLY  22           HA2      GLY  22  -6.575   5.131  -5.355
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -6.531   2.025  -3.845
    2    HA2  GLY   1           HA1      GLY   1  -6.895   2.550  -1.044
    3    HA3  GLY   1           HA2      GLY   1  -7.916   1.530  -2.075
    4    H    CYS   2           H        CYS   2  -4.361   1.939  -1.894
    5    HA   CYS   2           HA       CYS   2  -3.974  -0.927  -2.088
    6    HB3  CYS   2           HB2      CYS   2  -1.544  -0.025  -1.301
    7    H    CYS   3           H        CYS   3  -3.676   1.490   0.525
    8    HA   CYS   3           HA       CYS   3  -2.684  -0.277   2.511
    9    HB3  CYS   3           HB2      CYS   3  -4.075   1.458   4.024
   10    H    SER   4           H        SER   4  -5.956   0.349   1.341
   11    HA   SER   4           HA       SER   4  -7.241  -1.110   3.499
   12    HB3  SER   4           HB2      SER   4  -8.797  -0.967   1.031
   13    HG   SER   4           HG       SER   4 -10.133   0.299   2.430
   14    H    ASP   5           H        ASP   5  -6.019  -1.868   0.277
   15    HA   ASP   5           HA       ASP   5  -7.199  -4.564   0.350
   16    HB3  ASP   5           HB2      ASP   5  -5.105  -3.773  -1.651
   17    HA   PRO   6           HA       PRO   6  -3.786  -6.474   2.402
   18    HB3  PRO   6           HB2      PRO   6  -5.240  -8.209   2.840
   19    HG3  PRO   6           HG2      PRO   6  -6.898  -8.808   1.312
   20    HD3  PRO   6           HD2      PRO   6  -7.267  -6.528   1.436
   21    H    ARG   7           H        ARG   7  -4.370  -6.836  -1.055
   22    HA   ARG   7           HA       ARG   7  -2.020  -8.260  -1.752
   23    HB3  ARG   7           HB2      ARG   7  -2.891  -6.121  -3.619
   24    HG3  ARG   7           HG2      ARG   7  -1.505  -8.281  -4.097
   25    HD3  ARG   7           HD2      ARG   7  -3.487  -9.862  -5.107
   26    HE   ARG   7           HE       ARG   7  -1.558 -10.153  -3.065
   27   HH11  ARG   7          HH11      ARG   7  -4.724 -11.426  -3.967
   28   HH12  ARG   7          HH12      ARG   7  -4.443 -12.999  -3.212
   29   HH21  ARG   7          HH21      ARG   7  -1.200 -12.184  -2.093
   30   HH22  ARG   7          HH22      ARG   7  -2.455 -13.426  -2.155
   31    H    CYS   8           H        CYS   8  -2.606  -4.715  -1.749
   32    HA   CYS   8           HA       CYS   8   0.144  -4.089  -2.339
   33    HB3  CYS   8           HB2      CYS   8  -0.678  -1.780  -1.325
   34    H    ASN   9           H        ASN   9  -1.673  -4.667   0.608
   35    HA   ASN   9           HA       ASN   9   0.231  -3.471   2.404
   36    HB3  ASN   9           HB2      ASN   9  -1.190  -5.707   3.594
   37   HD21  ASN   9          HD21      ASN   9  -1.813  -2.258   2.874
   38   HD22  ASN   9          HD22      ASN   9  -1.759  -1.731   4.593
   39    H    TYR  10           H        TYR  10  -0.336  -6.844   1.339
   40    HA   TYR  10           HA       TYR  10   1.944  -7.838   2.837
   41    HB3  TYR  10           HB2      TYR  10   0.355  -9.110   0.575
   42    HD1  TYR  10           HD1      TYR  10   2.045 -10.164   3.750
   43    HD2  TYR  10           HD2      TYR  10   1.557 -10.805  -0.427
   44    HE1  TYR  10           HE1      TYR  10   3.516 -12.132   3.885
   45    HE2  TYR  10           HE2      TYR  10   3.025 -12.774  -0.303
   46    HH   TYR  10           HH       TYR  10   4.084 -14.207   1.055
   47    H    ALA  11           H        ALA  11   1.365  -6.656  -0.425
   48    HA   ALA  11           HA       ALA  11   3.891  -7.647  -1.477
   49    HB1  ALA  11           HB1      ALA  11   1.809  -7.153  -2.826
   50    HB2  ALA  11           HB2      ALA  11   2.183  -5.424  -2.620
   51    HB3  ALA  11           HB3      ALA  11   3.326  -6.488  -3.476
   52    H    HIS  12           H        HIS  12   2.672  -4.554  -0.197
   53    HA   HIS  12           HA       HIS  12   5.508  -3.594  -0.189
   54    HB3  HIS  12           HB2      HIS  12   4.893  -1.454  -0.765
   55    HD2  HIS  12           HD2      HIS  12   1.656  -0.980  -2.062
   56    HE1  HIS  12           HE1      HIS  12   3.228  -3.748  -4.864
   57    HE2  HIS  12           HE2      HIS  12   1.389  -2.042  -4.425
   58    HA   PRO  13           HA       PRO  13   3.782  -3.885   4.168
   59    HB3  PRO  13           HB2      PRO  13   4.383  -6.097   4.407
   60    HG3  PRO  13           HG2      PRO  13   6.045  -7.046   3.072
   61    HD3  PRO  13           HD2      PRO  13   4.736  -6.056   1.444
   62    H    ALA  14           H        ALA  14   7.120  -3.476   2.956
   63    HA   ALA  14           HA       ALA  14   8.203  -2.147   5.193
   64    HB1  ALA  14           HB1      ALA  14   8.804  -2.162   2.260
   65    HB2  ALA  14           HB2      ALA  14   9.616  -0.967   3.301
   66    HB3  ALA  14           HB3      ALA  14   9.796  -2.706   3.634
   67    H    ILE  15           H        ILE  15   6.508  -0.790   2.347
   68    HA   ILE  15           HA       ILE  15   5.737   1.527   4.011
   69    HB   ILE  15           HB       ILE  15   7.097   1.937   1.328
   70   HG13  ILE  15          HG12      ILE  15   8.708   1.186   3.050
   71   HG21  ILE  15          HG21      ILE  15   6.382   4.050   1.419
   72   HG22  ILE  15          HG22      ILE  15   5.294   3.536   2.729
   73   HG23  ILE  15          HG23      ILE  15   6.890   4.224   3.116
   74   HD11  ILE  15          HD11      ILE  15   9.541   2.834   1.480
   75   HD12  ILE  15          HD12      ILE  15   8.905   4.153   2.492
   76   HD13  ILE  15          HD13      ILE  15  10.221   3.121   3.098
   77    H    CYS  16           H        CYS  16   3.686   2.056   3.666
   78    HA   CYS  16           HA       CYS  16   2.256   0.729   1.473
   79    HB3  CYS  16           HB2      CYS  16   1.170   2.697   3.520
   80    H    GLY  17           H        GLY  17   3.950   2.241   0.164
   81    HA2  GLY  17           HA1      GLY  17   3.122   4.968  -0.248
   82    HA3  GLY  17           HA2      GLY  17   4.154   4.008  -1.325
   83    H    GLY  18           H        GLY  18   2.210   1.889  -1.752
   84    HA2  GLY  18           HA1      GLY  18   0.957   2.849  -4.072
   85    HA3  GLY  18           HA2      GLY  18   0.442   1.411  -3.171
   86    H    ALA  19           H        ALA  19  -0.087   3.094  -0.739
   87    HA   ALA  19           HA       ALA  19  -2.858   3.459  -1.115
   88    HB1  ALA  19           HB1      ALA  19  -2.743   3.680   1.095
   89    HB2  ALA  19           HB2      ALA  19  -0.969   3.783   0.987
   90    HB3  ALA  19           HB3      ALA  19  -1.951   5.265   0.910
   91    H    ALA  20           H        ALA  20  -0.155   5.645  -1.679
   92    HA   ALA  20           HA       ALA  20  -1.521   8.104  -1.772
   93    HB1  ALA  20           HB1      ALA  20   0.394   8.944  -2.651
   94    HB2  ALA  20           HB2      ALA  20   1.032   7.353  -2.166
   95    HB3  ALA  20           HB3      ALA  20   0.547   7.641  -3.855
   96    H    GLY  21           H        GLY  21  -1.122   5.615  -4.305
   97    HA2  GLY  21           HA1      GLY  21  -2.481   7.169  -6.332
   98    HA3  GLY  21           HA2      GLY  21  -2.139   5.430  -6.386
   99    H    GLY  22           H        GLY  22  -3.511   4.522  -4.150
  100    HA2  GLY  22           HA1      GLY  22  -6.234   5.541  -4.161
  101    HA3  GLY  22           HA2      GLY  22  -6.072   4.069  -5.137
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -6.574   1.878  -3.762
    2    HA2  GLY   1           HA1      GLY   1  -6.877   2.463  -0.964
    3    HA3  GLY   1           HA2      GLY   1  -7.926   1.433  -1.955
    4    H    CYS   2           H        CYS   2  -4.366   1.808  -1.876
    5    HA   CYS   2           HA       CYS   2  -4.013  -1.065  -2.001
    6    HB3  CYS   2           HB2      CYS   2  -1.552  -0.170  -1.308
    7    H    CYS   3           H        CYS   3  -3.618   1.417   0.536
    8    HA   CYS   3           HA       CYS   3  -2.585  -0.305   2.541
    9    HB3  CYS   3           HB2      CYS   3  -3.918   1.483   4.044
   10    H    SER   4           H        SER   4  -5.883   0.319   1.445
   11    HA   SER   4           HA       SER   4  -7.122  -1.067   3.677
   12    HB3  SER   4           HB2      SER   4  -8.099  -0.081   0.983
   13    HG   SER   4           HG       SER   4 -10.202  -0.730   1.689
   14    H    ASP   5           H        ASP   5  -5.987  -1.932   0.450
   15    HA   ASP   5           HA       ASP   5  -7.182  -4.615   0.639
   16    HB3  ASP   5           HB2      ASP   5  -5.146  -3.899  -1.447
   17    HA   PRO   6           HA       PRO   6  -3.719  -6.481   2.647
   18    HB3  PRO   6           HB2      PRO   6  -5.167  -8.193   3.185
   19    HG3  PRO   6           HG2      PRO   6  -6.875  -8.829   1.728
   20    HD3  PRO   6           HD2      PRO   6  -7.228  -6.544   1.791
   21    H    ARG   7           H        ARG   7  -4.411  -6.951  -0.777
   22    HA   ARG   7           HA       ARG   7  -2.092  -8.412  -1.498
   23    HB3  ARG   7           HB2      ARG   7  -3.762  -6.386  -3.022
   24    HG3  ARG   7           HG2      ARG   7  -1.610  -6.448  -4.131
   25    HD3  ARG   7           HD2      ARG   7  -0.601  -8.446  -3.354
   26    HE   ARG   7           HE       ARG   7  -2.029 -10.210  -2.951
   27   HH11  ARG   7          HH11      ARG   7  -2.510  -9.002  -6.233
   28   HH12  ARG   7          HH12      ARG   7  -3.619 -10.302  -6.680
   29   HH21  ARG   7          HH21      ARG   7  -3.460 -11.886  -3.534
   30   HH22  ARG   7          HH22      ARG   7  -4.157 -11.927  -5.157
   31    H    CYS   8           H        CYS   8  -2.658  -4.864  -1.595
   32    HA   CYS   8           HA       CYS   8   0.071  -4.272  -2.294
   33    HB3  CYS   8           HB2      CYS   8  -0.704  -1.930  -1.311
   34    H    ASN   9           H        ASN   9  -1.644  -4.753   0.733
   35    HA   ASN   9           HA       ASN   9   0.332  -3.520   2.424
   36    HB3  ASN   9           HB2      ASN   9  -1.049  -5.698   3.744
   37   HD21  ASN   9          HD21      ASN   9  -1.701  -2.287   2.886
   38   HD22  ASN   9          HD22      ASN   9  -1.604  -1.682   4.576
   39    H    TYR  10           H        TYR  10  -0.298  -6.916   1.477
   40    HA   TYR  10           HA       TYR  10   2.027  -7.890   2.922
   41    HB3  TYR  10           HB2      TYR  10   0.622  -9.353   0.674
   42    HD1  TYR  10           HD1      TYR  10   1.454 -11.478   0.382
   43    HD2  TYR  10           HD2      TYR  10   1.901  -9.637   4.190
   44    HE1  TYR  10           HE1      TYR  10   2.703 -13.441   1.178
   45    HE2  TYR  10           HE2      TYR  10   3.152 -11.594   4.998
   46    HH   TYR  10           HH       TYR  10   4.166 -13.507   4.418
   47    H    ALA  11           H        ALA  11   1.339  -6.797  -0.349
   48    HA   ALA  11           HA       ALA  11   3.819  -7.840  -1.462
   49    HB1  ALA  11           HB1      ALA  11   2.092  -5.635  -2.608
   50    HB2  ALA  11           HB2      ALA  11   3.193  -6.736  -3.472
   51    HB3  ALA  11           HB3      ALA  11   1.693  -7.364  -2.749
   52    H    HIS  12           H        HIS  12   2.671  -4.701  -0.230
   53    HA   HIS  12           HA       HIS  12   5.513  -3.764  -0.351
   54    HB3  HIS  12           HB2      HIS  12   4.892  -1.636  -0.965
   55    HD2  HIS  12           HD2      HIS  12   1.615  -1.172  -2.160
   56    HE1  HIS  12           HE1      HIS  12   3.066  -4.033  -4.935
   57    HE2  HIS  12           HE2      HIS  12   1.259  -2.300  -4.483
   58    HA   PRO  13           HA       PRO  13   3.944  -3.915   4.072
   59    HB3  PRO  13           HB2      PRO  13   4.535  -6.125   4.354
   60    HG3  PRO  13           HG2      PRO  13   6.141  -7.126   2.987
   61    HD3  PRO  13           HD2      PRO  13   4.782  -6.171   1.379
   62    H    ALA  14           H        ALA  14   7.227  -3.552   2.715
   63    HA   ALA  14           HA       ALA  14   8.413  -2.184   4.872
   64    HB1  ALA  14           HB1      ALA  14   9.995  -1.293   3.228
   65    HB2  ALA  14           HB2      ALA  14   9.657  -3.015   2.930
   66    HB3  ALA  14           HB3      ALA  14   8.901  -1.770   1.907
   67    H    ILE  15           H        ILE  15   6.594  -0.876   2.081
   68    HA   ILE  15           HA       ILE  15   5.889   1.467   3.732
   69    HB   ILE  15           HB       ILE  15   7.352   1.722   1.083
   70   HG13  ILE  15          HG12      ILE  15   8.992   2.988   2.365
   71   HG21  ILE  15          HG21      ILE  15   7.035   4.266   1.845
   72   HG22  ILE  15          HG22      ILE  15   5.856   3.420   0.815
   73   HG23  ILE  15          HG23      ILE  15   5.556   3.584   2.562
   74   HD11  ILE  15          HD11      ILE  15   8.467   4.006   4.261
   75   HD12  ILE  15          HD12      ILE  15   6.917   3.134   4.354
   76   HD13  ILE  15          HD13      ILE  15   8.390   2.411   5.045
   77    H    CYS  16           H        CYS  16   3.831   1.998   3.441
   78    HA   CYS  16           HA       CYS  16   2.329   0.641   1.319
   79    HB3  CYS  16           HB2      CYS  16   1.320   2.658   3.358
   80    H    GLY  17           H        GLY  17   3.983   2.107  -0.083
   81    HA2  GLY  17           HA1      GLY  17   3.160   4.832  -0.524
   82    HA3  GLY  17           HA2      GLY  17   4.154   3.842  -1.610
   83    H    GLY  18           H        GLY  18   2.190   1.727  -1.935
   84    HA2  GLY  18           HA1      GLY  18   0.870   2.645  -4.237
   85    HA3  GLY  18           HA2      GLY  18   0.377   1.229  -3.290
   86    H    ALA  19           H        ALA  19  -0.069   2.967  -0.878
   87    HA   ALA  19           HA       ALA  19  -2.849   3.336  -1.176
   88    HB1  ALA  19           HB1      ALA  19  -0.889   3.706   0.855
   89    HB2  ALA  19           HB2      ALA  19  -1.882   5.183   0.778
   90    HB3  ALA  19           HB3      ALA  19  -2.658   3.599   1.023
   91    H    ALA  20           H        ALA  20  -0.156   5.502  -1.862
   92    HA   ALA  20           HA       ALA  20  -1.523   7.960  -1.974
   93    HB1  ALA  20           HB1      ALA  20   0.815   8.034  -2.158
   94    HB2  ALA  20           HB2      ALA  20   0.838   6.871  -3.505
   95    HB3  ALA  20           HB3      ALA  20   0.231   8.524  -3.766
   96    H    GLY  21           H        GLY  21  -1.224   5.394  -4.434
   97    HA2  GLY  21           HA1      GLY  21  -2.599   6.902  -6.484
   98    HA3  GLY  21           HA2      GLY  21  -2.295   5.155  -6.483
   99    H    GLY  22           H        GLY  22  -3.632   4.341  -4.201
  100    HA2  GLY  22           HA1      GLY  22  -6.336   5.425  -4.187
  101    HA3  GLY  22           HA2      GLY  22  -6.222   3.908  -5.100
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -6.788   1.914  -3.618
    2    HA2  GLY   1           HA1      GLY   1  -6.989   2.543  -0.821
    3    HA3  GLY   1           HA2      GLY   1  -8.089   1.518  -1.761
    4    H    CYS   2           H        CYS   2  -4.520   1.838  -1.769
    5    HA   CYS   2           HA       CYS   2  -4.212  -1.040  -1.892
    6    HB3  CYS   2           HB2      CYS   2  -1.726  -0.179  -1.249
    7    H    CYS   3           H        CYS   3  -3.729   1.445   0.628
    8    HA   CYS   3           HA       CYS   3  -2.687  -0.289   2.619
    9    HB3  CYS   3           HB2      CYS   3  -3.957   1.528   4.142
   10    H    SER   4           H        SER   4  -5.995   0.392   1.588
   11    HA   SER   4           HA       SER   4  -7.210  -0.970   3.847
   12    HB3  SER   4           HB2      SER   4  -8.549  -0.512   1.170
   13    HG   SER   4           HG       SER   4 -10.337  -0.109   2.579
   14    H    ASP   5           H        ASP   5  -6.160  -1.855   0.598
   15    HA   ASP   5           HA       ASP   5  -7.404  -4.516   0.810
   16    HB3  ASP   5           HB2      ASP   5  -5.392  -3.840  -1.312
   17    HA   PRO   6           HA       PRO   6  -3.945  -6.454   2.755
   18    HB3  PRO   6           HB2      PRO   6  -5.416  -8.137   3.314
   19    HG3  PRO   6           HG2      PRO   6  -7.163  -8.736   1.885
   20    HD3  PRO   6           HD2      PRO   6  -7.468  -6.445   1.958
   21    H    ARG   7           H        ARG   7  -4.704  -6.906  -0.658
   22    HA   ARG   7           HA       ARG   7  -2.427  -8.409  -1.421
   23    HB3  ARG   7           HB2      ARG   7  -3.364  -6.291  -3.293
   24    HG3  ARG   7           HG2      ARG   7  -3.807  -8.382  -4.699
   25    HD3  ARG   7           HD2      ARG   7  -1.420  -6.952  -4.098
   26    HE   ARG   7           HE       ARG   7  -0.848  -9.565  -3.507
   27   HH11  ARG   7          HH11      ARG   7  -0.012  -7.411  -6.175
   28   HH12  ARG   7          HH12      ARG   7   1.546  -8.189  -6.477
   29   HH21  ARG   7          HH21      ARG   7   1.163 -10.566  -3.901
   30   HH22  ARG   7          HH22      ARG   7   2.208  -9.969  -5.195
   31    H    CYS   8           H        CYS   8  -2.923  -4.852  -1.501
   32    HA   CYS   8           HA       CYS   8  -0.191  -4.316  -2.240
   33    HB3  CYS   8           HB2      CYS   8  -0.912  -1.956  -1.251
   34    H    ASN   9           H        ASN   9  -1.878  -4.758   0.806
   35    HA   ASN   9           HA       ASN   9   0.138  -3.557   2.474
   36    HB3  ASN   9           HB2      ASN   9  -1.375  -5.782   3.678
   37   HD21  ASN   9          HD21      ASN   9  -1.344  -2.228   3.271
   38   HD22  ASN   9          HD22      ASN   9  -1.197  -1.873   5.028
   39    H    TYR  10           H        TYR  10  -0.559  -6.946   1.541
   40    HA   TYR  10           HA       TYR  10   1.768  -7.951   2.960
   41    HB3  TYR  10           HB2      TYR  10   0.373  -9.433   0.727
   42    HD1  TYR  10           HD1      TYR  10   2.426 -10.804   0.622
   43    HD2  TYR  10           HD2      TYR  10   0.219 -10.399   4.236
   44    HE1  TYR  10           HE1      TYR  10   3.590 -12.764   1.546
   45    HE2  TYR  10           HE2      TYR  10   1.377 -12.356   5.170
   46    HH   TYR  10           HH       TYR  10   3.064 -13.806   4.904
   47    H    ALA  11           H        ALA  11   1.058  -6.853  -0.306
   48    HA   ALA  11           HA       ALA  11   3.504  -7.939  -1.448
   49    HB1  ALA  11           HB1      ALA  11   1.797  -5.709  -2.573
   50    HB2  ALA  11           HB2      ALA  11   2.873  -6.824  -3.451
   51    HB3  ALA  11           HB3      ALA  11   1.372  -7.432  -2.710
   52    H    HIS  12           H        HIS  12   2.425  -4.777  -0.211
   53    HA   HIS  12           HA       HIS  12   5.281  -3.892  -0.365
   54    HB3  HIS  12           HB2      HIS  12   4.692  -1.755  -0.981
   55    HD2  HIS  12           HD2      HIS  12   1.415  -1.233  -2.146
   56    HE1  HIS  12           HE1      HIS  12   2.781  -4.135  -4.922
   57    HE2  HIS  12           HE2      HIS  12   1.013  -2.365  -4.459
   58    HA   PRO  13           HA       PRO  13   3.754  -4.000   4.075
   59    HB3  PRO  13           HB2      PRO  13   4.310  -6.219   4.357
   60    HG3  PRO  13           HG2      PRO  13   5.883  -7.253   2.979
   61    HD3  PRO  13           HD2      PRO  13   4.524  -6.280   1.380
   62    H    ALA  14           H        ALA  14   7.044  -3.723   2.703
   63    HA   ALA  14           HA       ALA  14   8.259  -2.352   4.843
   64    HB1  ALA  14           HB1      ALA  14   9.673  -3.111   3.135
   65    HB2  ALA  14           HB2      ALA  14   8.722  -2.305   1.863
   66    HB3  ALA  14           HB3      ALA  14   9.713  -1.338   2.981
   67    H    ILE  15           H        ILE  15   6.473  -1.043   2.031
   68    HA   ILE  15           HA       ILE  15   5.842   1.350   3.649
   69    HB   ILE  15           HB       ILE  15   7.057   1.640   0.883
   70   HG13  ILE  15          HG12      ILE  15   8.746   0.865   2.520
   71   HG21  ILE  15          HG21      ILE  15   5.358   3.320   2.178
   72   HG22  ILE  15          HG22      ILE  15   6.929   3.919   2.762
   73   HG23  ILE  15          HG23      ILE  15   6.598   3.847   1.015
   74   HD11  ILE  15          HD11      ILE  15  10.166   2.165   1.426
   75   HD12  ILE  15          HD12      ILE  15   8.891   3.362   1.098
   76   HD13  ILE  15          HD13      ILE  15   9.833   3.453   2.606
   77    H    CYS  16           H        CYS  16   3.791   1.923   3.386
   78    HA   CYS  16           HA       CYS  16   2.222   0.563   1.311
   79    HB3  CYS  16           HB2      CYS  16   1.284   2.617   3.345
   80    H    GLY  17           H        GLY  17   3.888   2.001  -0.119
   81    HA2  GLY  17           HA1      GLY  17   3.100   4.732  -0.573
   82    HA3  GLY  17           HA2      GLY  17   4.056   3.717  -1.671
   83    H    GLY  18           H        GLY  18   2.047   1.633  -1.938
   84    HA2  GLY  18           HA1      GLY  18   0.702   2.554  -4.224
   85    HA3  GLY  18           HA2      GLY  18   0.199   1.157  -3.255
   86    H    ALA  19           H        ALA  19  -0.170   2.923  -0.852
   87    HA   ALA  19           HA       ALA  19  -2.948   3.344  -1.105
   88    HB1  ALA  19           HB1      ALA  19  -1.887   5.188   0.815
   89    HB2  ALA  19           HB2      ALA  19  -2.727   3.642   1.087
   90    HB3  ALA  19           HB3      ALA  19  -0.957   3.672   0.894
   91    H    ALA  20           H        ALA  20  -0.225   5.448  -1.860
   92    HA   ALA  20           HA       ALA  20  -1.540   7.935  -1.966
   93    HB1  ALA  20           HB1      ALA  20   0.896   7.608  -2.205
   94    HB2  ALA  20           HB2      ALA  20   0.632   6.939  -3.834
   95    HB3  ALA  20           HB3      ALA  20   0.218   8.636  -3.491
   96    H    GLY  21           H        GLY  21  -1.291   5.379  -4.454
   97    HA2  GLY  21           HA1      GLY  21  -2.726   6.906  -6.449
   98    HA3  GLY  21           HA2      GLY  21  -2.404   5.162  -6.482
   99    H    GLY  22           H        GLY  22  -3.681   4.340  -4.144
  100    HA2  GLY  22           HA1      GLY  22  -6.391   5.380  -4.060
  101    HA3  GLY  22           HA2      GLY  22  -6.289   3.886  -5.011
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -6.367   1.964  -4.030
    2    HA2  GLY   1           HA1      GLY   1  -6.832   2.469  -1.238
    3    HA3  GLY   1           HA2      GLY   1  -7.813   1.453  -2.312
    4    H    CYS   2           H        CYS   2  -4.267   1.868  -2.021
    5    HA   CYS   2           HA       CYS   2  -3.869  -0.996  -2.206
    6    HB3  CYS   2           HB2      CYS   2  -1.464  -0.093  -1.349
    7    H    CYS   3           H        CYS   3  -3.652   1.418   0.418
    8    HA   CYS   3           HA       CYS   3  -2.715  -0.352   2.429
    9    HB3  CYS   3           HB2      CYS   3  -4.151   1.379   3.904
   10    H    SER   4           H        SER   4  -5.951   0.270   1.163
   11    HA   SER   4           HA       SER   4  -7.302  -1.187   3.281
   12    HB3  SER   4           HB2      SER   4  -8.556  -0.856   0.576
   13    HG   SER   4           HG       SER   4 -10.300  -0.182   1.934
   14    H    ASP   5           H        ASP   5  -5.967  -1.959   0.107
   15    HA   ASP   5           HA       ASP   5  -7.133  -4.664   0.170
   16    HB3  ASP   5           HB2      ASP   5  -5.010  -3.868  -1.796
   17    HA   PRO   6           HA       PRO   6  -3.743  -6.524   2.302
   18    HB3  PRO   6           HB2      PRO   6  -5.185  -8.273   2.723
   19    HG3  PRO   6           HG2      PRO   6  -6.807  -8.899   1.166
   20    HD3  PRO   6           HD2      PRO   6  -7.202  -6.624   1.267
   21    H    ARG   7           H        ARG   7  -4.255  -6.927  -1.164
   22    HA   ARG   7           HA       ARG   7  -1.881  -8.329  -1.806
   23    HB3  ARG   7           HB2      ARG   7  -2.142  -7.343  -4.064
   24    HG3  ARG   7           HG2      ARG   7  -4.717  -7.795  -4.301
   25    HD3  ARG   7           HD2      ARG   7  -2.670  -9.301  -4.810
   26    HE   ARG   7           HE       ARG   7  -1.920 -10.425  -2.944
   27   HH11  ARG   7          HH11      ARG   7  -5.448 -10.411  -3.002
   28   HH12  ARG   7          HH12      ARG   7  -5.597 -11.504  -1.622
   29   HH21  ARG   7          HH21      ARG   7  -2.117 -11.835  -1.163
   30   HH22  ARG   7          HH22      ARG   7  -3.718 -12.307  -0.585
   31    H    CYS   8           H        CYS   8  -2.484  -4.789  -1.823
   32    HA   CYS   8           HA       CYS   8   0.272  -4.147  -2.359
   33    HB3  CYS   8           HB2      CYS   8  -0.597  -1.844  -1.341
   34    H    ASN   9           H        ASN   9  -1.591  -4.754   0.550
   35    HA   ASN   9           HA       ASN   9   0.262  -3.538   2.387
   36    HB3  ASN   9           HB2      ASN   9  -1.005  -5.597   3.784
   37   HD21  ASN   9          HD21      ASN   9   0.176  -3.282   4.431
   38   HD22  ASN   9          HD22      ASN   9  -1.042  -2.119   5.063
   39    H    TYR  10           H        TYR  10  -0.246  -6.918   1.313
   40    HA   TYR  10           HA       TYR  10   2.025  -7.883   2.845
   41    HB3  TYR  10           HB2      TYR  10   0.347  -9.120   0.635
   42    HD1  TYR  10           HD1      TYR  10   2.204 -10.092  -0.645
   43    HD2  TYR  10           HD2      TYR  10   1.725 -10.914   3.503
   44    HE1  TYR  10           HE1      TYR  10   3.747 -11.996  -0.850
   45    HE2  TYR  10           HE2      TYR  10   3.268 -12.820   3.309
   46    HH   TYR  10           HH       TYR  10   4.752 -13.870   1.998
   47    H    ALA  11           H        ALA  11   1.476  -6.709  -0.425
   48    HA   ALA  11           HA       ALA  11   4.026  -7.674  -1.443
   49    HB1  ALA  11           HB1      ALA  11   3.478  -6.524  -3.450
   50    HB2  ALA  11           HB2      ALA  11   1.956  -7.200  -2.821
   51    HB3  ALA  11           HB3      ALA  11   2.315  -5.469  -2.611
   52    H    HIS  12           H        HIS  12   2.756  -4.585  -0.201
   53    HA   HIS  12           HA       HIS  12   5.584  -3.604  -0.136
   54    HB3  HIS  12           HB2      HIS  12   4.968  -1.472  -0.744
   55    HD2  HIS  12           HD2      HIS  12   1.768  -1.023  -2.127
   56    HE1  HIS  12           HE1      HIS  12   3.413  -3.818  -4.861
   57    HE2  HIS  12           HE2      HIS  12   1.563  -2.111  -4.486
   58    HA   PRO  13           HA       PRO  13   3.751  -3.867   4.180
   59    HB3  PRO  13           HB2      PRO  13   4.351  -6.077   4.452
   60    HG3  PRO  13           HG2      PRO  13   6.049  -7.032   3.167
   61    HD3  PRO  13           HD2      PRO  13   4.776  -6.058   1.499
   62    H    ALA  14           H        ALA  14   7.108  -3.445   3.036
   63    HA   ALA  14           HA       ALA  14   8.143  -2.107   5.289
   64    HB1  ALA  14           HB1      ALA  14   9.616  -0.940   3.472
   65    HB2  ALA  14           HB2      ALA  14   9.736  -2.699   3.718
   66    HB3  ALA  14           HB3      ALA  14   8.789  -2.053   2.356
   67    H    ILE  15           H        ILE  15   6.487  -0.765   2.413
   68    HA   ILE  15           HA       ILE  15   5.676   1.551   4.062
   69    HB   ILE  15           HB       ILE  15   7.052   1.972   1.390
   70   HG13  ILE  15          HG12      ILE  15   8.659   1.205   3.109
   71   HG21  ILE  15          HG21      ILE  15   6.309   4.072   1.490
   72   HG22  ILE  15          HG22      ILE  15   5.262   3.564   2.834
   73   HG23  ILE  15          HG23      ILE  15   6.867   4.256   3.170
   74   HD11  ILE  15          HD11      ILE  15   9.089   3.266   1.497
   75   HD12  ILE  15          HD12      ILE  15   9.183   4.134   3.048
   76   HD13  ILE  15          HD13      ILE  15  10.270   2.762   2.728
   77    H    CYS  16           H        CYS  16   3.627   2.068   3.687
   78    HA   CYS  16           HA       CYS  16   2.242   0.732   1.468
   79    HB3  CYS  16           HB2      CYS  16   1.094   2.660   3.519
   80    H    GLY  17           H        GLY  17   3.949   2.310   0.225
   81    HA2  GLY  17           HA1      GLY  17   3.068   5.019  -0.172
   82    HA3  GLY  17           HA2      GLY  17   4.141   4.096  -1.240
   83    H    GLY  18           H        GLY  18   2.247   1.942  -1.730
   84    HA2  GLY  18           HA1      GLY  18   1.025   2.906  -4.067
   85    HA3  GLY  18           HA2      GLY  18   0.517   1.449  -3.191
   86    H    ALA  19           H        ALA  19  -0.097   3.088  -0.752
   87    HA   ALA  19           HA       ALA  19  -2.864   3.414  -1.188
   88    HB1  ALA  19           HB1      ALA  19  -1.039   3.718   0.962
   89    HB2  ALA  19           HB2      ALA  19  -2.015   5.204   0.883
   90    HB3  ALA  19           HB3      ALA  19  -2.816   3.620   1.025
   91    H    ALA  20           H        ALA  20  -0.184   5.661  -1.633
   92    HA   ALA  20           HA       ALA  20  -1.601   8.091  -1.734
   93    HB1  ALA  20           HB1      ALA  20   0.235   8.870  -3.233
   94    HB2  ALA  20           HB2      ALA  20   0.807   8.043  -1.765
   95    HB3  ALA  20           HB3      ALA  20   0.815   7.189  -3.327
   96    H    GLY  21           H        GLY  21  -1.095   5.630  -4.266
   97    HA2  GLY  21           HA1      GLY  21  -2.378   7.189  -6.338
   98    HA3  GLY  21           HA2      GLY  21  -2.036   5.448  -6.383
   99    H    GLY  22           H        GLY  22  -3.487   4.492  -4.250
  100    HA2  GLY  22           HA1      GLY  22  -6.217   5.529  -4.377
  101    HA3  GLY  22           HA2      GLY  22  -5.996   4.030  -5.299