*HEADER    TOXIN                                   07-JUN-06   2H8S              
*TITLE     SOLUTION STRUCTURE OF ALPHA-CONOTOXIN VC1.1                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN VC1A;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ALPHA-CONOTOXIN VC1.1, ALPHA-VC1A, ACV1;                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS                         
*KEYWDS    ALPHA-CONOTOXIN, ALPHA-HELIX, DISULFIDE BONDS, AMIDATED C-            
*KEYWDS   2 TERMINUS                                                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    R.J.CLARK, H.FISCHER, S.T.NEVIN, D.J.ADAMS, D.J.CRAIK                 
*REVDAT   1   27-JUN-06 2H8S    0                                                


assign (resid   9 and name  HB1)   (resid  10 and name   HN)   2.350    0.550    0.550  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   2.350    0.550    1.550  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   3.000    1.200    1.200  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.650    0.850    0.850  
assign (resid   7 and name  HB#)   (resid   8 and name   HN)   2.800    1.000    1.000  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.680    0.880    0.880  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.520    0.720    1.220  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   3.265    1.465    1.465  
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   3.220    1.420    1.420  
assign (resid   3 and name  HB2)   (resid   4 and name   HN)   2.580    0.780    0.780  
assign (resid   1 and name  HA#)   (resid   3 and name   HN)   3.265    1.465    1.465  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.625    0.825    0.825  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   2.875    1.075    1.075  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   2.875    1.075    1.775  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   2.795    0.995    0.995  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   2.795    0.995    0.995  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.680    0.880    0.880  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.680    0.880    0.880  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   3.000    1.200    1.200  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.680    0.880    0.880  
assign (resid  12 and name   HA)   (resid  14 and name   HN)   2.735    0.935    0.935   
assign (resid   3 and name   HN)   (resid  16 and name   HA)   3.575    1.275    1.605  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   2.765    0.965    0.965  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   3.315    1.515    1.515 
assign (resid   6 and name  HB2)   (resid   7 and name   HN)   3.315    1.515    1.015 
assign (resid   8 and name   HA)   (resid  11 and name   HN)   2.690    0.890    0.890  
assign (resid   9 and name   HA)   (resid  12 and name   HN)   2.690    0.890    0.890  
assign (resid  10 and name   HA)   (resid  12 and name   HN)   3.125    1.325    2.325  
assign (resid  13 and name   HA)   (resid  16 and name   HN)   3.300    1.500    1.500  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.285    0.485    0.485  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   2.335    0.535    0.535  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   2.180    0.380    0.500  
assign (resid   3 and name   HN)   (resid   5 and name   HN)   2.925    1.125    1.325  
assign (resid  14 and name   HN)   (resid  16 and name   HN)   3.140    1.340    1.340  
assign (resid   2 and name   HN)   (resid   4 and name   HN)   3.905    1.505    1.505  
assign (resid   6 and name   HA)   (resid   9 and name  HB1)   2.285    0.485    0.485  
assign (resid   6 and name   HA)   (resid   9 and name  HB2)   2.285    0.485    0.685  
assign (resid   7 and name  HG#)   (resid   8 and name   HN)   3.995    2.195    2.195  
assign (resid   5 and name   HA)   (resid   6 and name  HD1)   2.115    0.315    0.315  
assign (resid   5 and name   HA)   (resid   6 and name  HD2)   2.115    0.315    0.315  
assign (resid  12 and name   HA)   (resid  13 and name  HD1)   2.665    0.865    0.865  
assign (resid  12 and name   HA)   (resid  13 and name  HD2)   2.665    0.865    0.865  
assign (resid  12 and name   HN)   (resid  13 and name  HD2)   3.280    1.480    1.480  
assign (resid  12 and name   HN)   (resid  13 and name  HD1)   2.780    0.980    0.980  
assign (resid  13 and name  HD2)   (resid  14 and name   HN)   3.685    1.885    1.885  
assign (resid  13 and name  HD1)   (resid  14 and name   HN)   3.685    1.885    1.885  
assign (resid   8 and name   HA)   (resid  12 and name  HE1)   2.860    1.060    1.060  
assign (resid  11 and name  HB1)   (resid  12 and name  HE1)   3.605    1.805    1.805  
assign (resid  11 and name  HB1)   (resid  12 and name  HD2)   3.045    1.245    1.245  
assign (resid  11 and name  HB2)   (resid  12 and name  HD2)   3.045    1.245    1.745  
assign (resid   3 and name   HN)   (resid  16 and name  HB1)   3.650    1.850    1.850  
assign (resid   3 and name   HN)   (resid  16 and name  HB2)   3.590    1.790    1.790  
assign (resid   6 and name  HG1)   (resid   7 and name   HN)   3.045    1.245    1.245  
assign (resid   6 and name  HG2)   (resid   7 and name   HN)   3.045    1.245    0.845 
assign (resid  12 and name  HB1)   (resid  15 and name   HB)   2.830    1.030    0.530
assign (resid  12 and name  HB2)   (resid  15 and name   HB)   2.830    1.030    1.030  
assign (resid  12 and name  HB2)   (resid  15 and name HG11)   3.750    1.950    1.950  
assign (resid  15 and name   HB)   (resid  16 and name  HB2)   3.650    1.850    2.250  
assign (resid  14 and name  HG1)   (resid  15 and name HG11)   4.525    2.725    2.725  
assign (resid  14 and name  HG2)   (resid  15 and name HG11)   4.525    2.725    2.725  
assign (resid  14 and name  HG2)   (resid  15 and name HG12)   4.525    2.725    2.725  
assign (resid  12 and name  HB2)   (resid  15 and name HG12)   3.750    1.950    1.950  
assign (resid  12 and name  HB1)   (resid  15 and name HG12)   3.750    1.950    1.950  
assign (resid   5 and name  HB2)   (resid   6 and name  HD2)   3.635    1.835    1.835  
assign (resid   5 and name  HB2)   (resid   6 and name  HD1)   3.635    1.835    1.835  
assign (resid   3 and name  HB2)   (resid  16 and name   HA)   3.570    1.770    1.970  
assign (resid   5 and name   HA)   (resid   6 and name  HG1)   3.155    1.355    1.355  
assign (resid   5 and name   HA)   (resid   6 and name  HG2)   3.155    1.355    1.155 
assign (resid  14 and name  HG1)   (resid  15 and name HD1#)   4.165    2.365    2.365  
assign (resid  14 and name  HG1)   (resid  15 and name HG2#)   3.670    1.870    2.070  
assign (resid  14 and name  HG2)   (resid  15 and name HG2#)   3.670    1.870    2.070  
assign (resid  14 and name  HG2)   (resid  15 and name HD1#)   4.165    2.365    2.365  
assign (resid  12 and name  HB2)   (resid  15 and name HD1#)   3.495    1.695    1.695  
assign (resid  12 and name  HB2)   (resid  15 and name HG2#)   4.040    2.240    2.240  
assign (resid  12 and name  HB1)   (resid  15 and name HD1#)   3.495    1.695    1.095  
assign (resid  12 and name  HB1)   (resid  15 and name HG2#)   4.040    2.240    1.240 
assign (resid  15 and name HG2#)   (resid  16 and name   HA)   3.515    1.715    1.715  
assign (resid  15 and name HD1#)   (resid  16 and name   HA)   4.165    2.365    2.365  
assign (resid  15 and name HG2#)   (resid  16 and name  HB2)   4.165    2.365    2.365  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.540    0.740    0.740  
assign (resid   5 and name  HB2)   (resid   6 and name  HD#)   3.530    1.730    1.730  
assign (resid   6 and name  HD#)   (resid   7 and name   HN)   2.925    1.125    1.125  
assign (resid   7 and name   HN)   (resid  10 and name  HB#)   3.190    1.390    1.590  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   2.795    0.995    0.995  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   2.240    0.440    0.440  
assign (resid   9 and name  HB#)   (resid  10 and name   HA)   3.455    1.655    1.655  
assign (resid  10 and name  HB#)   (resid  11 and name   HA)   3.190    1.390    1.390  
assign (resid  10 and name  HB#)   (resid  13 and name  HD#)   3.875    2.075    2.075   
assign (resid  11 and name  HB#)   (resid  13 and name  HD#)   4.525    2.725    2.725  
assign (resid   8 and name   HA)   (resid  11 and name  HB2 or resid   11 and name  HB1)   3.400    1.600    1.600  
assign (resid   2 and name  HB2 or resid)   (resid   8 and name  HB2 or resid   8 and name  HB1)   3.000    1.200    1.200
assign (resid   2 and name  HB2 or resid)   (resid   3 and name   HN)   2.800    1.200    1.200
assign (resid   2 and name  HB1 or resid)   (resid   3 and name   HN)   2.800    0.850    0.850
assign (resid   3 and name  HB2)   (resid  16 and name   HB#)  4.580    1.180    1.180   
 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1  -6.268   7.784  -3.221
    2   2H    GLY   1          2HT       GLY   1  -6.072   6.173  -3.701
    3   3H    GLY   1          3HT       GLY   1  -5.465   7.422  -4.667
    4   1HA   GLY   1          1HA       GLY   1  -3.569   7.543  -3.531
    5   2HA   GLY   1          2HA       GLY   1  -4.440   7.547  -2.002
    6    H    CYS   2           H        CYS   2  -1.976   6.086  -2.921
    7    HA   CYS   2           HA       CYS   2  -2.559   3.352  -3.251
    8   1HB   CYS   2          2HB       CYS   2  -0.384   4.230  -3.827
    9   2HB   CYS   2          1HB       CYS   2  -0.097   4.729  -2.167
   10    H    CYS   3           H        CYS   3  -1.657   5.171  -0.327
   11    HA   CYS   3           HA       CYS   3  -1.690   3.065   1.481
   12   1HB   CYS   3          2HB       CYS   3  -2.481   5.900   2.125
   13   2HB   CYS   3          1HB       CYS   3  -1.679   4.733   3.175
   14    H    SER   4           H        SER   4  -4.311   4.755   0.024
   15    HA   SER   4           HA       SER   4  -6.327   4.224   1.938
   16   1HB   SER   4          2HB       SER   4  -6.404   5.896   0.013
   17   2HB   SER   4          1HB       SER   4  -6.739   4.528  -1.039
   18    HG   SER   4           HG       SER   4  -8.470   4.163   0.734
   19    H    ASP   5           H        ASP   5  -4.965   2.463  -0.745
   20    HA   ASP   5           HA       ASP   5  -6.914   0.311  -0.521
   21   1HB   ASP   5          2HB       ASP   5  -6.094   1.060  -2.755
   22   2HB   ASP   5          1HB       ASP   5  -4.474   0.545  -2.306
   23    HA   PRO   6           HA       PRO   6  -4.469  -1.693   2.606
   24   1HB   PRO   6          2HB       PRO   6  -5.672  -4.171   2.326
   25   2HB   PRO   6          1HB       PRO   6  -6.293  -2.850   3.319
   26   1HG   PRO   6          2HG       PRO   6  -7.089  -3.690   0.567
   27   2HG   PRO   6          1HG       PRO   6  -8.104  -3.119   1.905
   28   1HD   PRO   6          2HD       PRO   6  -7.454  -1.525  -0.157
   29   2HD   PRO   6          1HD       PRO   6  -7.607  -0.893   1.495
   30    H    ARG   7           H        ARG   7  -4.929  -3.106  -0.599
   31    HA   ARG   7           HA       ARG   7  -2.800  -4.993  -0.373
   32   1HB   ARG   7          2HB       ARG   7  -4.035  -3.818  -2.871
   33   2HB   ARG   7          1HB       ARG   7  -3.068  -5.283  -2.778
   34   1HG   ARG   7          2HG       ARG   7  -4.759  -6.464  -1.669
   35   2HG   ARG   7          1HG       ARG   7  -5.639  -4.987  -1.266
   36   1HD   ARG   7          2HD       ARG   7  -5.232  -6.076  -4.050
   37   2HD   ARG   7          1HD       ARG   7  -6.704  -6.248  -3.092
   38    HE   ARG   7           HE       ARG   7  -6.071  -3.515  -3.254
   39   1HH1  ARG   7          1HH1      ARG   7  -7.099  -6.128  -5.354
   40   2HH1  ARG   7          2HH1      ARG   7  -7.959  -5.091  -6.439
   41   1HH2  ARG   7          1HH2      ARG   7  -7.204  -2.143  -4.657
   42   2HH2  ARG   7          2HH2      ARG   7  -8.020  -2.812  -6.046
   43    H    CYS   8           H        CYS   8  -3.160  -1.834  -1.927
   44    HA   CYS   8           HA       CYS   8  -0.503  -1.614  -2.866
   45   1HB   CYS   8          2HB       CYS   8  -2.575  -0.185  -3.465
   46   2HB   CYS   8          1HB       CYS   8  -2.172   0.754  -2.032
   47    H    ASN   9           H        ASN   9  -2.039  -0.822   0.184
   48    HA   ASN   9           HA       ASN   9   0.102   0.599   1.373
   49   1HB   ASN   9          2HB       ASN   9  -2.372   0.424   2.116
   50   2HB   ASN   9          1HB       ASN   9  -1.897  -1.084   2.882
   51   1HD2  ASN   9          1HD2      ASN   9  -2.541   1.969   3.552
   52   2HD2  ASN   9          2HD2      ASN   9  -1.471   2.244   4.885
   53    H    TYR  10           H        TYR  10  -0.927  -2.788   1.562
   54    HA   TYR  10           HA       TYR  10   1.164  -3.670   3.256
   55   1HB   TYR  10          2HB       TYR  10  -0.998  -4.848   2.967
   56   2HB   TYR  10          1HB       TYR  10  -0.531  -5.270   1.324
   57    HD1  TYR  10           1HD      TYR  10  -0.094  -7.526   1.174
   58    HD2  TYR  10           2HD      TYR  10   1.248  -5.415   4.617
   59    HE1  TYR  10           1HE      TYR  10   0.979  -9.575   2.007
   60    HE2  TYR  10           2HE      TYR  10   2.325  -7.459   5.456
   61    HH   TYR  10           HH       TYR  10   3.256  -9.763   4.038
   62    H    ASP  11           H        ASP  11   0.951  -3.135  -0.141
   63    HA   ASP  11           HA       ASP  11   3.236  -4.777  -0.836
   64   1HB   ASP  11          2HB       ASP  11   1.316  -4.428  -2.376
   65   2HB   ASP  11          1HB       ASP  11   1.705  -2.721  -2.453
   66    H    HIS  12           H        HIS  12   2.478  -1.391  -0.304
   67    HA   HIS  12           HA       HIS  12   5.337  -0.734  -0.656
   68   1HB   HIS  12          2HB       HIS  12   3.010   1.166  -1.012
   69   2HB   HIS  12          1HB       HIS  12   4.697   1.451  -1.434
   70    HD1  HIS  12           1HD      HIS  12   2.036   1.375  -3.335
   71    HD2  HIS  12           2HD      HIS  12   5.071  -1.440  -3.091
   72    HE1  HIS  12           1HE      HIS  12   1.940   0.095  -5.490
   73    HE2  HIS  12           2HE      HIS  12   3.549  -1.812  -5.134
   74    HA   PRO  13           HA       PRO  13   4.210   0.114   3.778
   75   1HB   PRO  13          2HB       PRO  13   6.324  -1.143   4.887
   76   2HB   PRO  13          1HB       PRO  13   4.847  -1.998   4.425
   77   1HG   PRO  13          2HG       PRO  13   7.454  -1.799   2.972
   78   2HG   PRO  13          1HG       PRO  13   6.411  -3.213   3.209
   79   1HD   PRO  13          2HD       PRO  13   6.450  -1.753   0.909
   80   2HD   PRO  13          1HD       PRO  13   5.017  -2.628   1.482
   81    H    GLU  14           H        GLU  14   6.990   0.668   1.777
   82    HA   GLU  14           HA       GLU  14   8.287   2.384   3.709
   83   1HB   GLU  14          2HB       GLU  14  10.029   2.676   2.137
   84   2HB   GLU  14          1HB       GLU  14   9.537   1.000   1.988
   85   1HG   GLU  14          2HG       GLU  14   8.633   3.189   0.131
   86   2HG   GLU  14          1HG       GLU  14  10.031   2.162  -0.162
   87    H    ILE  15           H        ILE  15   6.385   2.712   0.771
   88    HA   ILE  15           HA       ILE  15   6.524   5.574   0.700
   89    HB   ILE  15           HB       ILE  15   4.531   3.737  -0.644
   90   1HG1  ILE  15          2HG1      ILE  15   7.098   4.916  -1.735
   91   2HG1  ILE  15          1HG1      ILE  15   6.901   3.242  -1.223
   92   1HG2  ILE  15          1HG2      ILE  15   4.402   6.457  -0.383
   93   2HG2  ILE  15          2HG2      ILE  15   3.647   5.520  -1.672
   94   3HG2  ILE  15          3HG2      ILE  15   5.223   6.265  -1.932
   95   1HD1  ILE  15          1HD1      ILE  15   5.303   4.533  -3.420
   96   2HD1  ILE  15          2HD1      ILE  15   5.339   2.825  -2.982
   97   3HD1  ILE  15          3HD1      ILE  15   6.771   3.588  -3.674
   98    H    CYS  16           H        CYS  16   4.125   3.200   1.773
   99    HA   CYS  16           HA       CYS  16   2.499   5.359   2.900
  100   1HB   CYS  16          2HB       CYS  16   1.962   2.447   2.367
  101   2HB   CYS  16          1HB       CYS  16   0.871   3.447   3.323
  102   1HN   NH2  17          1H        CYS  16   5.095   4.246   3.988
  103   2HN   NH2  17          2H        CYS  16   4.739   3.854   5.630
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1  -6.055   8.027  -3.233
    2   2H    GLY   1          2HT       GLY   1  -5.863   6.456  -3.830
    3   3H    GLY   1          3HT       GLY   1  -5.133   7.758  -4.626
    4   1HA   GLY   1          1HA       GLY   1  -3.353   7.726  -3.312
    5   2HA   GLY   1          2HA       GLY   1  -4.363   7.611  -1.875
    6    H    CYS   2           H        CYS   2  -1.857   6.173  -2.662
    7    HA   CYS   2           HA       CYS   2  -2.506   3.487  -3.289
    8   1HB   CYS   2          2HB       CYS   2  -0.284   4.279  -3.712
    9   2HB   CYS   2          1HB       CYS   2  -0.064   4.740  -2.029
   10    H    CYS   3           H        CYS   3  -1.673   5.036  -0.196
   11    HA   CYS   3           HA       CYS   3  -1.883   2.802   1.441
   12   1HB   CYS   3          2HB       CYS   3  -2.630   5.561   2.364
   13   2HB   CYS   3          1HB       CYS   3  -1.763   4.299   3.238
   14    H    SER   4           H        SER   4  -4.341   4.616  -0.089
   15    HA   SER   4           HA       SER   4  -6.497   4.183   1.679
   16   1HB   SER   4          2HB       SER   4  -6.409   5.785  -0.303
   17   2HB   SER   4          1HB       SER   4  -6.687   4.387  -1.333
   18    HG   SER   4           HG       SER   4  -8.550   4.116   0.336
   19    H    ASP   5           H        ASP   5  -5.002   2.314  -0.859
   20    HA   ASP   5           HA       ASP   5  -6.966   0.165  -0.595
   21   1HB   ASP   5          2HB       ASP   5  -6.415   0.482  -2.862
   22   2HB   ASP   5          1HB       ASP   5  -4.707   0.714  -2.512
   23    HA   PRO   6           HA       PRO   6  -4.532  -1.675   2.627
   24   1HB   PRO   6          2HB       PRO   6  -5.680  -4.199   2.350
   25   2HB   PRO   6          1HB       PRO   6  -6.303  -2.893   3.364
   26   1HG   PRO   6          2HG       PRO   6  -7.153  -3.750   0.638
   27   2HG   PRO   6          1HG       PRO   6  -8.134  -3.145   1.984
   28   1HD   PRO   6          2HD       PRO   6  -7.513  -1.603  -0.131
   29   2HD   PRO   6          1HD       PRO   6  -7.643  -0.931   1.507
   30    H    ARG   7           H        ARG   7  -4.956  -3.177  -0.541
   31    HA   ARG   7           HA       ARG   7  -2.800  -5.003  -0.312
   32   1HB   ARG   7          2HB       ARG   7  -4.600  -5.233  -1.993
   33   2HB   ARG   7          1HB       ARG   7  -4.012  -3.786  -2.800
   34   1HG   ARG   7          2HG       ARG   7  -1.756  -5.263  -2.760
   35   2HG   ARG   7          1HG       ARG   7  -2.977  -6.536  -2.854
   36   1HD   ARG   7          2HD       ARG   7  -2.349  -5.915  -5.085
   37   2HD   ARG   7          1HD       ARG   7  -3.989  -5.341  -4.783
   38    HE   ARG   7           HE       ARG   7  -3.254  -3.182  -4.983
   39   1HH1  ARG   7          1HH1      ARG   7  -0.466  -5.297  -4.689
   40   2HH1  ARG   7          2HH1      ARG   7   0.694  -4.029  -4.951
   41   1HH2  ARG   7          1HH2      ARG   7  -1.726  -1.518  -5.349
   42   2HH2  ARG   7          2HH2      ARG   7  -0.032  -1.891  -5.343
   43    H    CYS   8           H        CYS   8  -3.114  -1.866  -1.940
   44    HA   CYS   8           HA       CYS   8  -0.441  -1.572  -2.757
   45   1HB   CYS   8          2HB       CYS   8  -2.556  -0.196  -3.372
   46   2HB   CYS   8          1HB       CYS   8  -2.174   0.754  -1.942
   47    H    ASN   9           H        ASN   9  -2.080  -0.757   0.253
   48    HA   ASN   9           HA       ASN   9  -0.002   0.708   1.479
   49   1HB   ASN   9          2HB       ASN   9  -2.458   0.497   2.204
   50   2HB   ASN   9          1HB       ASN   9  -1.996  -1.035   2.932
   51   1HD2  ASN   9          1HD2      ASN   9  -1.414  -0.967   4.977
   52   2HD2  ASN   9          2HD2      ASN   9  -0.834   0.422   5.820
   53    H    TYR  10           H        TYR  10  -0.888  -2.710   1.609
   54    HA   TYR  10           HA       TYR  10   1.281  -3.473   3.320
   55   1HB   TYR  10          2HB       TYR  10  -0.892  -4.665   3.244
   56   2HB   TYR  10          1HB       TYR  10  -0.547  -5.164   1.594
   57    HD1  TYR  10           1HD      TYR  10   1.466  -5.170   4.755
   58    HD2  TYR  10           2HD      TYR  10  -0.121  -7.426   1.515
   59    HE1  TYR  10           1HE      TYR  10   2.600  -7.178   5.605
   60    HE2  TYR  10           2HE      TYR  10   1.010  -9.441   2.357
   61    HH   TYR  10           HH       TYR  10   3.416  -9.566   4.192
   62    H    ASP  11           H        ASP  11   0.888  -2.953   0.000
   63    HA   ASP  11           HA       ASP  11   3.026  -4.676  -0.916
   64   1HB   ASP  11          2HB       ASP  11   0.944  -4.196  -2.210
   65   2HB   ASP  11          1HB       ASP  11   1.445  -2.529  -2.354
   66    H    HIS  12           H        HIS  12   2.484  -1.321  -0.140
   67    HA   HIS  12           HA       HIS  12   5.320  -0.741  -0.734
   68   1HB   HIS  12          2HB       HIS  12   3.018   1.216  -0.933
   69   2HB   HIS  12          1HB       HIS  12   4.692   1.503  -1.397
   70    HD1  HIS  12           1HD      HIS  12   2.068   1.618  -3.257
   71    HD2  HIS  12           2HD      HIS  12   4.881  -1.423  -3.118
   72    HE1  HIS  12           1HE      HIS  12   1.849   0.398  -5.435
   73    HE2  HIS  12           2HE      HIS  12   3.358  -1.597  -5.178
   74    HA   PRO  13           HA       PRO  13   4.456  -0.052   3.805
   75   1HB   PRO  13          2HB       PRO  13   7.152  -1.209   4.053
   76   2HB   PRO  13          1HB       PRO  13   5.655  -1.664   4.873
   77   1HG   PRO  13          2HG       PRO  13   6.746  -3.219   2.979
   78   2HG   PRO  13          1HG       PRO  13   4.988  -3.066   3.161
   79   1HD   PRO  13          2HD       PRO  13   6.810  -1.749   1.178
   80   2HD   PRO  13          1HD       PRO  13   5.207  -2.473   0.926
   81    H    GLU  14           H        GLU  14   7.289   0.554   1.795
   82    HA   GLU  14           HA       GLU  14   8.475   2.446   3.566
   83   1HB   GLU  14          2HB       GLU  14  10.005   2.951   1.769
   84   2HB   GLU  14          1HB       GLU  14   9.768   1.214   1.846
   85   1HG   GLU  14          2HG       GLU  14   8.494   3.091  -0.135
   86   2HG   GLU  14          1HG       GLU  14   9.840   2.005  -0.455
   87    H    ILE  15           H        ILE  15   6.425   2.754   0.685
   88    HA   ILE  15           HA       ILE  15   6.436   5.611   0.729
   89    HB   ILE  15           HB       ILE  15   4.512   3.729  -0.653
   90   1HG1  ILE  15          2HG1      ILE  15   6.959   5.145  -1.733
   91   2HG1  ILE  15          1HG1      ILE  15   6.892   3.437  -1.315
   92   1HG2  ILE  15          1HG2      ILE  15   4.199   6.414  -0.241
   93   2HG2  ILE  15          2HG2      ILE  15   3.483   5.496  -1.566
   94   3HG2  ILE  15          3HG2      ILE  15   4.998   6.365  -1.813
   95   1HD1  ILE  15          1HD1      ILE  15   5.019   4.625  -3.326
   96   2HD1  ILE  15          2HD1      ILE  15   5.484   2.939  -3.101
   97   3HD1  ILE  15          3HD1      ILE  15   6.641   4.091  -3.768
   98    H    CYS  16           H        CYS  16   4.099   3.132   1.724
   99    HA   CYS  16           HA       CYS  16   2.477   5.200   3.011
  100   1HB   CYS  16          2HB       CYS  16   1.952   2.308   2.349
  101   2HB   CYS  16          1HB       CYS  16   0.872   3.262   3.362
  102   1HN   NH2  17          1H        CYS  16   4.960   4.687   4.163
  103   2HN   NH2  17          2H        CYS  16   4.723   3.951   5.707
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1  -5.149   8.776  -3.774
    2   2H    GLY   1          2HT       GLY   1  -5.540   9.120  -2.166
    3   3H    GLY   1          3HT       GLY   1  -5.946   7.617  -2.832
    4   1HA   GLY   1          1HA       GLY   1  -3.139   8.219  -3.013
    5   2HA   GLY   1          2HA       GLY   1  -3.735   8.115  -1.361
    6    H    CYS   2           H        CYS   2  -1.974   6.313  -3.017
    7    HA   CYS   2           HA       CYS   2  -3.376   3.941  -3.637
    8   1HB   CYS   2          2HB       CYS   2  -0.916   4.769  -4.182
    9   2HB   CYS   2          1HB       CYS   2  -0.525   3.835  -2.752
   10    H    CYS   3           H        CYS   3  -1.892   5.138  -0.704
   11    HA   CYS   3           HA       CYS   3  -1.797   2.859   0.862
   12   1HB   CYS   3          2HB       CYS   3  -2.464   5.605   1.903
   13   2HB   CYS   3          1HB       CYS   3  -1.522   4.336   2.687
   14    H    SER   4           H        SER   4  -4.526   4.582  -0.242
   15    HA   SER   4           HA       SER   4  -6.363   4.058   1.839
   16   1HB   SER   4          2HB       SER   4  -6.616   5.658  -0.159
   17   2HB   SER   4          1HB       SER   4  -7.076   4.237  -1.089
   18    HG   SER   4           HG       SER   4  -8.628   3.947   0.802
   19    H    ASP   5           H        ASP   5  -5.122   2.237  -0.839
   20    HA   ASP   5           HA       ASP   5  -7.010   0.054  -0.448
   21   1HB   ASP   5          2HB       ASP   5  -6.569   0.323  -2.728
   22   2HB   ASP   5          1HB       ASP   5  -4.861   0.653  -2.459
   23    HA   PRO   6           HA       PRO   6  -4.452  -1.862   2.614
   24   1HB   PRO   6          2HB       PRO   6  -5.525  -4.398   2.309
   25   2HB   PRO   6          1HB       PRO   6  -6.206  -3.125   3.326
   26   1HG   PRO   6          2HG       PRO   6  -6.979  -3.969   0.568
   27   2HG   PRO   6          1HG       PRO   6  -8.011  -3.466   1.922
   28   1HD   PRO   6          2HD       PRO   6  -7.462  -1.814  -0.122
   29   2HD   PRO   6          1HD       PRO   6  -7.625  -1.214   1.542
   30    H    ARG   7           H        ARG   7  -4.838  -3.244  -0.634
   31    HA   ARG   7           HA       ARG   7  -2.665  -5.048  -0.400
   32   1HB   ARG   7          2HB       ARG   7  -4.339  -5.381  -2.132
   33   2HB   ARG   7          1HB       ARG   7  -3.908  -3.846  -2.878
   34   1HG   ARG   7          2HG       ARG   7  -2.945  -5.740  -4.084
   35   2HG   ARG   7          1HG       ARG   7  -1.691  -4.700  -3.404
   36   1HD   ARG   7          2HD       ARG   7  -2.067  -6.474  -1.379
   37   2HD   ARG   7          1HD       ARG   7  -2.384  -7.490  -2.784
   38    HE   ARG   7           HE       ARG   7  -0.021  -6.063  -3.258
   39   1HH1  ARG   7          1HH1      ARG   7  -1.213  -8.575  -1.131
   40   2HH1  ARG   7          2HH1      ARG   7   0.346  -9.283  -0.882
   41   1HH2  ARG   7          1HH2      ARG   7   2.035  -6.968  -2.939
   42   2HH2  ARG   7          2HH2      ARG   7   2.203  -8.368  -1.915
   43    H    CYS   8           H        CYS   8  -2.919  -1.874  -1.988
   44    HA   CYS   8           HA       CYS   8  -0.199  -1.655  -2.678
   45   1HB   CYS   8          2HB       CYS   8  -2.108  -0.203  -3.523
   46   2HB   CYS   8          1HB       CYS   8  -2.000   0.681  -2.005
   47    H    ASN   9           H        ASN   9  -1.949  -0.891   0.259
   48    HA   ASN   9           HA       ASN   9   0.088   0.567   1.577
   49   1HB   ASN   9          2HB       ASN   9  -2.422   0.323   2.173
   50   2HB   ASN   9          1HB       ASN   9  -1.947  -1.172   2.967
   51   1HD2  ASN   9          1HD2      ASN   9  -2.655   1.915   3.537
   52   2HD2  ASN   9          2HD2      ASN   9  -1.697   2.201   4.950
   53    H    TYR  10           H        TYR  10  -0.880  -2.831   1.727
   54    HA   TYR  10           HA       TYR  10   1.222  -3.651   3.469
   55   1HB   TYR  10          2HB       TYR  10  -0.908  -4.845   3.342
   56   2HB   TYR  10          1HB       TYR  10  -0.612  -5.238   1.653
   57    HD1  TYR  10           1HD      TYR  10  -0.157  -7.465   1.353
   58    HD2  TYR  10           2HD      TYR  10   1.380  -5.535   4.818
   59    HE1  TYR  10           1HE      TYR  10   0.934  -9.561   2.028
   60    HE2  TYR  10           2HE      TYR  10   2.479  -7.626   5.502
   61    HH   TYR  10           HH       TYR  10   3.086  -9.698   4.813
   62    H    ASP  11           H        ASP  11   0.979  -3.149   0.094
   63    HA   ASP  11           HA       ASP  11   3.187  -4.882  -0.631
   64   1HB   ASP  11          2HB       ASP  11   1.089  -4.308  -2.034
   65   2HB   ASP  11          1HB       ASP  11   1.894  -2.792  -2.380
   66    H    HIS  12           H        HIS  12   2.558  -1.466  -0.111
   67    HA   HIS  12           HA       HIS  12   5.432  -0.919  -0.519
   68   1HB   HIS  12          2HB       HIS  12   3.160   1.021  -1.011
   69   2HB   HIS  12          1HB       HIS  12   4.864   1.261  -1.392
   70    HD1  HIS  12           1HD      HIS  12   2.312   1.207  -3.404
   71    HD2  HIS  12           2HD      HIS  12   5.179  -1.742  -2.891
   72    HE1  HIS  12           1HE      HIS  12   2.240  -0.173  -5.498
   73    HE2  HIS  12           2HE      HIS  12   3.804  -2.093  -5.027
   74    HA   PRO  13           HA       PRO  13   4.238   0.104   3.874
   75   1HB   PRO  13          2HB       PRO  13   6.500  -0.937   4.980
   76   2HB   PRO  13          1HB       PRO  13   5.040  -1.886   4.676
   77   1HG   PRO  13          2HG       PRO  13   7.550  -1.699   3.060
   78   2HG   PRO  13          1HG       PRO  13   6.580  -3.128   3.462
   79   1HD   PRO  13          2HD       PRO  13   6.429  -1.900   1.056
   80   2HD   PRO  13          1HD       PRO  13   5.032  -2.699   1.808
   81    H    GLU  14           H        GLU  14   7.171   0.552   1.995
   82    HA   GLU  14           HA       GLU  14   8.287   2.529   3.738
   83   1HB   GLU  14          2HB       GLU  14   9.966   2.870   2.035
   84   2HB   GLU  14          1HB       GLU  14   9.684   1.148   2.226
   85   1HG   GLU  14          2HG       GLU  14   8.624   2.887   0.007
   86   2HG   GLU  14          1HG       GLU  14   9.956   1.746  -0.114
   87    H    ILE  15           H        ILE  15   6.496   2.649   0.674
   88    HA   ILE  15           HA       ILE  15   6.543   5.508   0.531
   89    HB   ILE  15           HB       ILE  15   4.740   3.556  -0.915
   90   1HG1  ILE  15          2HG1      ILE  15   7.313   4.858  -1.832
   91   2HG1  ILE  15          1HG1      ILE  15   7.169   3.183  -1.308
   92   1HG2  ILE  15          1HG2      ILE  15   3.958   5.260  -2.194
   93   2HG2  ILE  15          2HG2      ILE  15   5.443   6.197  -2.049
   94   3HG2  ILE  15          3HG2      ILE  15   4.284   6.174  -0.721
   95   1HD1  ILE  15          1HD1      ILE  15   5.460   4.181  -3.537
   96   2HD1  ILE  15          2HD1      ILE  15   6.042   2.549  -3.207
   97   3HD1  ILE  15          3HD1      ILE  15   7.150   3.771  -3.836
   98    H    CYS  16           H        CYS  16   4.125   3.100   1.477
   99    HA   CYS  16           HA       CYS  16   2.361   5.241   2.403
  100   1HB   CYS  16          2HB       CYS  16   1.955   2.314   1.860
  101   2HB   CYS  16          1HB       CYS  16   0.776   3.251   2.777
  102   1HN   NH2  17          1H        CYS  16   4.833   4.526   3.786
  103   2HN   NH2  17          2H        CYS  16   4.376   4.057   5.385
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1  -5.577   8.322  -3.092
    2   2H    GLY   1          2HT       GLY   1  -5.561   6.708  -3.599
    3   3H    GLY   1          3HT       GLY   1  -4.732   7.881  -4.491
    4   1HA   GLY   1          1HA       GLY   1  -2.927   7.775  -3.213
    5   2HA   GLY   1          2HA       GLY   1  -3.900   7.790  -1.748
    6    H    CYS   2           H        CYS   2  -1.545   6.126  -2.614
    7    HA   CYS   2           HA       CYS   2  -2.394   3.486  -3.121
    8   1HB   CYS   2          2HB       CYS   2  -0.122   4.121  -3.582
    9   2HB   CYS   2          1HB       CYS   2   0.146   4.585  -1.908
   10    H    CYS   3           H        CYS   3  -1.642   5.172  -0.102
   11    HA   CYS   3           HA       CYS   3  -1.798   3.045   1.669
   12   1HB   CYS   3          2HB       CYS   3  -2.820   5.731   2.481
   13   2HB   CYS   3          1HB       CYS   3  -1.741   4.638   3.339
   14    H    SER   4           H        SER   4  -4.317   4.782   0.063
   15    HA   SER   4           HA       SER   4  -6.478   4.208   1.773
   16   1HB   SER   4          2HB       SER   4  -6.421   5.872  -0.150
   17   2HB   SER   4          1HB       SER   4  -6.628   4.500  -1.232
   18    HG   SER   4           HG       SER   4  -8.514   4.082   0.344
   19    H    ASP   5           H        ASP   5  -4.929   2.452  -0.822
   20    HA   ASP   5           HA       ASP   5  -6.858   0.270  -0.658
   21   1HB   ASP   5          2HB       ASP   5  -6.054   0.967  -2.882
   22   2HB   ASP   5          1HB       ASP   5  -4.400   0.607  -2.400
   23    HA   PRO   6           HA       PRO   6  -4.497  -1.683   2.550
   24   1HB   PRO   6          2HB       PRO   6  -5.953  -4.104   1.666
   25   2HB   PRO   6          1HB       PRO   6  -5.913  -3.333   3.255
   26   1HG   PRO   6          2HG       PRO   6  -8.071  -3.177   1.670
   27   2HG   PRO   6          1HG       PRO   6  -7.578  -1.845   2.721
   28   1HD   PRO   6          2HD       PRO   6  -7.261  -2.139  -0.225
   29   2HD   PRO   6          1HD       PRO   6  -7.608  -0.690   0.738
   30    H    ARG   7           H        ARG   7  -4.955  -3.296  -0.560
   31    HA   ARG   7           HA       ARG   7  -2.795  -5.107  -0.312
   32   1HB   ARG   7          2HB       ARG   7  -4.828  -4.694  -2.132
   33   2HB   ARG   7          1HB       ARG   7  -3.405  -4.216  -3.042
   34   1HG   ARG   7          2HG       ARG   7  -3.537  -6.844  -1.603
   35   2HG   ARG   7          1HG       ARG   7  -4.199  -6.636  -3.223
   36   1HD   ARG   7          2HD       ARG   7  -2.081  -7.386  -3.696
   37   2HD   ARG   7          1HD       ARG   7  -1.844  -5.641  -3.747
   38    HE   ARG   7           HE       ARG   7  -1.327  -6.623  -1.148
   39   1HH1  ARG   7          1HH1      ARG   7   0.043  -6.541  -4.364
   40   2HH1  ARG   7          2HH1      ARG   7   1.689  -6.614  -3.807
   41   1HH2  ARG   7          1HH2      ARG   7   0.859  -6.792  -0.421
   42   2HH2  ARG   7          2HH2      ARG   7   2.142  -6.773  -1.589
   43    H    CYS   8           H        CYS   8  -3.115  -1.965  -1.917
   44    HA   CYS   8           HA       CYS   8  -0.433  -1.732  -2.789
   45   1HB   CYS   8          2HB       CYS   8  -2.465  -0.329  -3.490
   46   2HB   CYS   8          1HB       CYS   8  -2.201   0.594  -2.015
   47    H    ASN   9           H        ASN   9  -2.082  -0.768   0.176
   48    HA   ASN   9           HA       ASN   9   0.008   0.646   1.412
   49   1HB   ASN   9          2HB       ASN   9  -2.425   0.548   2.138
   50   2HB   ASN   9          1HB       ASN   9  -2.081  -1.039   2.809
   51   1HD2  ASN   9          1HD2      ASN   9  -1.757  -1.011   4.897
   52   2HD2  ASN   9          2HD2      ASN   9  -1.023   0.261   5.802
   53    H    TYR  10           H        TYR  10  -0.953  -2.749   1.636
   54    HA   TYR  10           HA       TYR  10   1.170  -3.491   3.391
   55   1HB   TYR  10          2HB       TYR  10  -0.915  -4.977   1.831
   56   2HB   TYR  10          1HB       TYR  10   0.412  -5.862   2.581
   57    HD1  TYR  10           1HD      TYR  10  -1.439  -2.892   3.875
   58    HD2  TYR  10           2HD      TYR  10  -0.606  -7.040   4.318
   59    HE1  TYR  10           1HE      TYR  10  -2.655  -2.900   6.008
   60    HE2  TYR  10           2HE      TYR  10  -1.823  -7.060   6.455
   61    HH   TYR  10           HH       TYR  10  -2.990  -5.874   7.924
   62    H    ASP  11           H        ASP  11   0.928  -3.063   0.015
   63    HA   ASP  11           HA       ASP  11   3.133  -4.833  -0.651
   64   1HB   ASP  11          2HB       ASP  11   1.107  -4.311  -2.139
   65   2HB   ASP  11          1HB       ASP  11   1.868  -2.757  -2.439
   66    H    HIS  12           H        HIS  12   2.516  -1.427  -0.158
   67    HA   HIS  12           HA       HIS  12   5.369  -0.862  -0.652
   68   1HB   HIS  12          2HB       HIS  12   3.039   1.048  -0.952
   69   2HB   HIS  12          1HB       HIS  12   4.719   1.352  -1.397
   70    HD1  HIS  12           1HD      HIS  12   2.089   1.298  -3.303
   71    HD2  HIS  12           2HD      HIS  12   5.046  -1.596  -3.006
   72    HE1  HIS  12           1HE      HIS  12   1.974  -0.005  -5.446
   73    HE2  HIS  12           2HE      HIS  12   3.555  -1.935  -5.071
   74    HA   PRO  13           HA       PRO  13   4.662  -0.071   3.846
   75   1HB   PRO  13          2HB       PRO  13   7.504  -0.814   3.978
   76   2HB   PRO  13          1HB       PRO  13   6.128  -1.483   4.859
   77   1HG   PRO  13          2HG       PRO  13   7.376  -2.865   2.922
   78   2HG   PRO  13          1HG       PRO  13   5.628  -2.997   3.192
   79   1HD   PRO  13          2HD       PRO  13   7.110  -1.435   1.110
   80   2HD   PRO  13          1HD       PRO  13   5.629  -2.402   0.949
   81    H    GLU  14           H        GLU  14   7.364   0.829   1.755
   82    HA   GLU  14           HA       GLU  14   8.271   2.968   3.406
   83   1HB   GLU  14          2HB       GLU  14   9.726   3.561   1.565
   84   2HB   GLU  14          1HB       GLU  14   9.734   1.818   1.775
   85   1HG   GLU  14          2HG       GLU  14   8.201   3.331  -0.330
   86   2HG   GLU  14          1HG       GLU  14   9.703   2.453  -0.582
   87    H    ILE  15           H        ILE  15   6.167   2.778   0.572
   88    HA   ILE  15           HA       ILE  15   5.834   5.608   0.353
   89    HB   ILE  15           HB       ILE  15   4.157   3.385  -0.829
   90   1HG1  ILE  15          2HG1      ILE  15   6.418   4.996  -2.041
   91   2HG1  ILE  15          1HG1      ILE  15   6.541   3.323  -1.504
   92   1HG2  ILE  15          1HG2      ILE  15   3.039   5.603  -0.720
   93   2HG2  ILE  15          2HG2      ILE  15   3.309   5.024  -2.364
   94   3HG2  ILE  15          3HG2      ILE  15   4.359   6.267  -1.684
   95   1HD1  ILE  15          1HD1      ILE  15   4.865   4.383  -3.764
   96   2HD1  ILE  15          2HD1      ILE  15   4.812   2.721  -3.177
   97   3HD1  ILE  15          3HD1      ILE  15   6.298   3.361  -3.879
   98    H    CYS  16           H        CYS  16   3.982   2.993   1.838
   99    HA   CYS  16           HA       CYS  16   2.409   5.026   3.254
  100   1HB   CYS  16          2HB       CYS  16   1.296   2.595   1.860
  101   2HB   CYS  16          1HB       CYS  16   0.387   3.581   3.000
  102   1HN   NH2  17          1H        CYS  16   2.982   1.521   3.055
  103   2HN   NH2  17          2H        CYS  16   3.103   1.273   4.761
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1  -4.806   8.006  -4.553
    2   2H    GLY   1          2HT       GLY   1  -5.684   8.358  -3.152
    3   3H    GLY   1          3HT       GLY   1  -5.620   6.769  -3.728
    4   1HA   GLY   1          1HA       GLY   1  -3.013   7.858  -3.263
    5   2HA   GLY   1          2HA       GLY   1  -4.006   7.829  -1.810
    6    H    CYS   2           H        CYS   2  -1.624   6.215  -2.610
    7    HA   CYS   2           HA       CYS   2  -2.429   3.570  -3.217
    8   1HB   CYS   2          2HB       CYS   2  -0.160   4.257  -3.618
    9   2HB   CYS   2          1HB       CYS   2   0.071   4.680  -1.927
   10    H    CYS   3           H        CYS   3  -1.731   5.186  -0.158
   11    HA   CYS   3           HA       CYS   3  -1.898   3.037   1.579
   12   1HB   CYS   3          2HB       CYS   3  -2.832   5.806   2.290
   13   2HB   CYS   3          1HB       CYS   3  -1.987   4.637   3.302
   14    H    SER   4           H        SER   4  -4.393   4.671  -0.105
   15    HA   SER   4           HA       SER   4  -6.602   4.204   1.570
   16   1HB   SER   4          2HB       SER   4  -6.695   5.751  -0.316
   17   2HB   SER   4          1HB       SER   4  -6.405   4.434  -1.443
   18    HG   SER   4           HG       SER   4  -8.419   3.529  -0.703
   19    H    ASP   5           H        ASP   5  -5.063   2.340  -0.959
   20    HA   ASP   5           HA       ASP   5  -6.928   0.118  -0.598
   21   1HB   ASP   5          2HB       ASP   5  -6.317   0.704  -2.880
   22   2HB   ASP   5          1HB       ASP   5  -4.607   0.547  -2.505
   23    HA   PRO   6           HA       PRO   6  -4.347  -1.515   2.645
   24   1HB   PRO   6          2HB       PRO   6  -5.507  -4.045   2.577
   25   2HB   PRO   6          1HB       PRO   6  -6.077  -2.676   3.532
   26   1HG   PRO   6          2HG       PRO   6  -7.051  -3.686   0.907
   27   2HG   PRO   6          1HG       PRO   6  -7.971  -3.005   2.261
   28   1HD   PRO   6          2HD       PRO   6  -7.458  -1.579   0.042
   29   2HD   PRO   6          1HD       PRO   6  -7.489  -0.819   1.645
   30    H    ARG   7           H        ARG   7  -4.848  -3.195  -0.422
   31    HA   ARG   7           HA       ARG   7  -2.654  -4.989  -0.114
   32   1HB   ARG   7          2HB       ARG   7  -4.258  -5.638  -1.709
   33   2HB   ARG   7          1HB       ARG   7  -4.285  -4.049  -2.454
   34   1HG   ARG   7          2HG       ARG   7  -1.800  -4.598  -3.045
   35   2HG   ARG   7          1HG       ARG   7  -2.331  -6.264  -2.799
   36   1HD   ARG   7          2HD       ARG   7  -2.508  -5.165  -5.162
   37   2HD   ARG   7          1HD       ARG   7  -3.805  -6.200  -4.563
   38    HE   ARG   7           HE       ARG   7  -4.247  -3.468  -3.848
   39   1HH1  ARG   7          1HH1      ARG   7  -4.484  -5.710  -6.528
   40   2HH1  ARG   7          2HH1      ARG   7  -5.786  -4.861  -7.288
   41   1HH2  ARG   7          1HH2      ARG   7  -5.985  -2.365  -4.810
   42   2HH2  ARG   7          2HH2      ARG   7  -6.629  -2.948  -6.314
   43    H    CYS   8           H        CYS   8  -3.114  -1.870  -1.715
   44    HA   CYS   8           HA       CYS   8  -0.491  -1.595  -2.746
   45   1HB   CYS   8          2HB       CYS   8  -2.614  -0.211  -3.284
   46   2HB   CYS   8          1HB       CYS   8  -2.204   0.724  -1.852
   47    H    ASN   9           H        ASN   9  -1.990  -0.791   0.318
   48    HA   ASN   9           HA       ASN   9   0.169   0.622   1.483
   49   1HB   ASN   9          2HB       ASN   9  -2.238   0.600   2.262
   50   2HB   ASN   9          1HB       ASN   9  -1.958  -1.019   2.880
   51   1HD2  ASN   9          1HD2      ASN   9   0.883   0.581   3.335
   52   2HD2  ASN   9          2HD2      ASN   9   0.619   1.172   4.938
   53    H    TYR  10           H        TYR  10  -0.837  -2.753   1.575
   54    HA   TYR  10           HA       TYR  10   1.201  -3.675   3.319
   55   1HB   TYR  10          2HB       TYR  10  -0.953  -4.810   3.007
   56   2HB   TYR  10          1HB       TYR  10  -0.528  -5.169   1.340
   57    HD1  TYR  10           1HD      TYR  10  -0.168  -7.412   1.060
   58    HD2  TYR  10           2HD      TYR  10   1.271  -5.552   4.604
   59    HE1  TYR  10           1HE      TYR  10   0.807  -9.549   1.776
   60    HE2  TYR  10           2HE      TYR  10   2.254  -7.687   5.329
   61    HH   TYR  10           HH       TYR  10   3.094  -9.882   3.974
   62    H    ASP  11           H        ASP  11   0.992  -3.269  -0.125
   63    HA   ASP  11           HA       ASP  11   3.355  -4.848  -0.698
   64   1HB   ASP  11          2HB       ASP  11   1.413  -4.724  -2.244
   65   2HB   ASP  11          1HB       ASP  11   1.736  -3.021  -2.489
   66    H    HIS  12           H        HIS  12   2.455  -1.517  -0.304
   67    HA   HIS  12           HA       HIS  12   5.251  -0.705  -0.802
   68   1HB   HIS  12          2HB       HIS  12   2.774   1.025  -1.043
   69   2HB   HIS  12          1HB       HIS  12   4.422   1.469  -1.491
   70    HD1  HIS  12           1HD      HIS  12   1.836   1.310  -3.410
   71    HD2  HIS  12           2HD      HIS  12   4.913  -1.459  -3.146
   72    HE1  HIS  12           1HE      HIS  12   1.790   0.044  -5.577
   73    HE2  HIS  12           2HE      HIS  12   3.447  -1.825  -5.222
   74    HA   PRO  13           HA       PRO  13   4.363  -0.058   3.701
   75   1HB   PRO  13          2HB       PRO  13   7.041  -1.135   4.095
   76   2HB   PRO  13          1HB       PRO  13   5.497  -1.732   4.710
   77   1HG   PRO  13          2HG       PRO  13   6.928  -3.050   2.823
   78   2HG   PRO  13          1HG       PRO  13   5.157  -3.105   2.901
   79   1HD   PRO  13          2HD       PRO  13   6.925  -1.463   1.125
   80   2HD   PRO  13          1HD       PRO  13   5.437  -2.349   0.723
   81    H    GLU  14           H        GLU  14   7.095   0.747   1.658
   82    HA   GLU  14           HA       GLU  14   8.175   2.646   3.542
   83   1HB   GLU  14          2HB       GLU  14   9.841   3.132   1.914
   84   2HB   GLU  14          1HB       GLU  14   9.579   1.401   1.855
   85   1HG   GLU  14          2HG       GLU  14   8.341   3.348  -0.077
   86   2HG   GLU  14          1HG       GLU  14   9.870   2.525  -0.361
   87    H    ILE  15           H        ILE  15   6.187   2.673   0.664
   88    HA   ILE  15           HA       ILE  15   6.022   5.506   0.402
   89    HB   ILE  15           HB       ILE  15   4.113   3.395  -0.624
   90   1HG1  ILE  15          2HG1      ILE  15   6.430   3.020  -1.387
   91   2HG1  ILE  15          1HG1      ILE  15   5.372   3.489  -2.712
   92   1HG2  ILE  15          1HG2      ILE  15   3.250   4.993  -2.100
   93   2HG2  ILE  15          2HG2      ILE  15   4.578   6.115  -1.796
   94   3HG2  ILE  15          3HG2      ILE  15   3.362   5.831  -0.550
   95   1HD1  ILE  15          1HD1      ILE  15   6.414   5.887  -1.810
   96   2HD1  ILE  15          2HD1      ILE  15   6.914   4.988  -3.242
   97   3HD1  ILE  15          3HD1      ILE  15   7.766   4.759  -1.715
   98    H    CYS  16           H        CYS  16   3.930   3.033   1.836
   99    HA   CYS  16           HA       CYS  16   2.410   5.191   3.146
  100   1HB   CYS  16          2HB       CYS  16   1.532   2.446   2.262
  101   2HB   CYS  16          1HB       CYS  16   0.569   3.482   3.313
  102   1HN   NH2  17          1H        CYS  16   4.737   4.469   4.313
  103   2HN   NH2  17          2H        CYS  16   4.450   3.534   5.737
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1  -5.645   6.253  -3.817
    2   2H    GLY   1          2HT       GLY   1  -4.908   7.546  -4.623
    3   3H    GLY   1          3HT       GLY   1  -5.862   7.834  -3.256
    4   1HA   GLY   1          1HA       GLY   1  -3.152   7.540  -3.279
    5   2HA   GLY   1          2HA       GLY   1  -4.189   7.475  -1.860
    6    H    CYS   2           H        CYS   2  -1.671   6.009  -2.574
    7    HA   CYS   2           HA       CYS   2  -2.285   3.308  -3.128
    8   1HB   CYS   2          2HB       CYS   2  -0.047   4.218  -3.453
    9   2HB   CYS   2          1HB       CYS   2   0.103   4.529  -1.729
   10    H    CYS   3           H        CYS   3  -1.601   4.964  -0.061
   11    HA   CYS   3           HA       CYS   3  -1.867   2.778   1.644
   12   1HB   CYS   3          2HB       CYS   3  -2.662   5.539   2.492
   13   2HB   CYS   3          1HB       CYS   3  -1.738   4.324   3.373
   14    H    SER   4           H        SER   4  -4.263   4.634   0.025
   15    HA   SER   4           HA       SER   4  -6.468   4.252   1.728
   16   1HB   SER   4          2HB       SER   4  -6.294   5.826  -0.268
   17   2HB   SER   4          1HB       SER   4  -6.576   4.419  -1.288
   18    HG   SER   4           HG       SER   4  -8.488   4.211   0.334
   19    H    ASP   5           H        ASP   5  -4.976   2.306  -0.758
   20    HA   ASP   5           HA       ASP   5  -6.995   0.210  -0.429
   21   1HB   ASP   5          2HB       ASP   5  -6.585   0.500  -2.718
   22   2HB   ASP   5          1HB       ASP   5  -4.857   0.735  -2.476
   23    HA   PRO   6           HA       PRO   6  -4.413  -1.759   2.585
   24   1HB   PRO   6          2HB       PRO   6  -5.593  -4.259   2.346
   25   2HB   PRO   6          1HB       PRO   6  -6.179  -2.953   3.379
   26   1HG   PRO   6          2HG       PRO   6  -7.107  -3.790   0.670
   27   2HG   PRO   6          1HG       PRO   6  -8.054  -3.221   2.056
   28   1HD   PRO   6          2HD       PRO   6  -7.516  -1.629  -0.042
   29   2HD   PRO   6          1HD       PRO   6  -7.594  -0.996   1.615
   30    H    ARG   7           H        ARG   7  -4.961  -3.143  -0.626
   31    HA   ARG   7           HA       ARG   7  -2.854  -5.042  -0.497
   32   1HB   ARG   7          2HB       ARG   7  -4.668  -5.205  -2.142
   33   2HB   ARG   7          1HB       ARG   7  -4.127  -3.716  -2.899
   34   1HG   ARG   7          2HG       ARG   7  -3.385  -5.522  -4.247
   35   2HG   ARG   7          1HG       ARG   7  -1.970  -4.858  -3.429
   36   1HD   ARG   7          2HD       ARG   7  -3.434  -7.144  -2.187
   37   2HD   ARG   7          1HD       ARG   7  -2.371  -7.453  -3.556
   38    HE   ARG   7           HE       ARG   7  -1.594  -6.909  -0.872
   39   1HH1  ARG   7          1HH1      ARG   7  -0.582  -6.455  -4.201
   40   2HH1  ARG   7          2HH1      ARG   7   1.106  -6.307  -3.798
   41   1HH2  ARG   7          1HH2      ARG   7   0.654  -6.743  -0.372
   42   2HH2  ARG   7          2HH2      ARG   7   1.793  -6.472  -1.657
   43    H    CYS   8           H        CYS   8  -3.081  -1.869  -2.074
   44    HA   CYS   8           HA       CYS   8  -0.377  -1.677  -2.832
   45   1HB   CYS   8          2HB       CYS   8  -2.363  -0.256  -3.612
   46   2HB   CYS   8          1HB       CYS   8  -2.137   0.678  -2.138
   47    H    ASN   9           H        ASN   9  -2.089  -0.716   0.100
   48    HA   ASN   9           HA       ASN   9  -0.020   0.706   1.368
   49   1HB   ASN   9          2HB       ASN   9  -2.481   0.545   2.058
   50   2HB   ASN   9          1HB       ASN   9  -2.075  -1.008   2.777
   51   1HD2  ASN   9          1HD2      ASN   9  -1.651  -0.940   4.853
   52   2HD2  ASN   9          2HD2      ASN   9  -1.007   0.407   5.719
   53    H    TYR  10           H        TYR  10  -0.975  -2.692   1.580
   54    HA   TYR  10           HA       TYR  10   1.148  -3.462   3.325
   55   1HB   TYR  10          2HB       TYR  10  -0.986  -4.675   3.229
   56   2HB   TYR  10          1HB       TYR  10  -0.669  -5.122   1.557
   57    HD1  TYR  10           1HD      TYR  10   1.328  -5.267   4.727
   58    HD2  TYR  10           2HD      TYR  10  -0.203  -7.360   1.353
   59    HE1  TYR  10           1HE      TYR  10   2.459  -7.313   5.490
   60    HE2  TYR  10           2HE      TYR  10   0.923  -9.411   2.107
   61    HH   TYR  10           HH       TYR  10   3.161  -9.400   4.790
   62    H    ASP  11           H        ASP  11   0.868  -2.993  -0.049
   63    HA   ASP  11           HA       ASP  11   3.062  -4.738  -0.779
   64   1HB   ASP  11          2HB       ASP  11   0.954  -4.035  -2.179
   65   2HB   ASP  11          1HB       ASP  11   1.917  -2.621  -2.570
   66    H    HIS  12           H        HIS  12   2.471  -1.297  -0.310
   67    HA   HIS  12           HA       HIS  12   5.363  -0.826  -0.688
   68   1HB   HIS  12          2HB       HIS  12   3.183   1.187  -1.268
   69   2HB   HIS  12          1HB       HIS  12   4.889   1.297  -1.691
   70    HD1  HIS  12           1HD      HIS  12   2.162   1.209  -3.560
   71    HD2  HIS  12           2HD      HIS  12   5.112  -1.678  -3.147
   72    HE1  HIS  12           1HE      HIS  12   2.014  -0.206  -5.629
   73    HE2  HIS  12           2HE      HIS  12   3.585  -2.124  -5.168
   74    HA   PRO  13           HA       PRO  13   3.974   0.493   3.645
   75   1HB   PRO  13          2HB       PRO  13   6.416  -0.986   4.404
   76   2HB   PRO  13          1HB       PRO  13   4.791  -1.077   5.091
   77   1HG   PRO  13          2HG       PRO  13   5.787  -3.065   3.598
   78   2HG   PRO  13          1HG       PRO  13   4.073  -2.617   3.523
   79   1HD   PRO  13          2HD       PRO  13   6.293  -1.945   1.625
   80   2HD   PRO  13          1HD       PRO  13   4.623  -2.437   1.274
   81    H    GLU  14           H        GLU  14   6.873   0.442   1.777
   82    HA   GLU  14           HA       GLU  14   8.516   2.181   3.243
   83   1HB   GLU  14          2HB       GLU  14   9.569   2.578   0.955
   84   2HB   GLU  14          1HB       GLU  14   9.500   0.906   1.499
   85   1HG   GLU  14          2HG       GLU  14   7.499   0.552   0.131
   86   2HG   GLU  14          1HG       GLU  14   7.592   2.219  -0.426
   87    H    ILE  15           H        ILE  15   6.163   2.772   0.671
   88    HA   ILE  15           HA       ILE  15   6.527   5.622   0.713
   89    HB   ILE  15           HB       ILE  15   4.319   3.999  -0.566
   90   1HG1  ILE  15          2HG1      ILE  15   6.504   3.327  -1.430
   91   2HG1  ILE  15          1HG1      ILE  15   5.615   4.230  -2.652
   92   1HG2  ILE  15          1HG2      ILE  15   4.789   6.347  -2.014
   93   2HG2  ILE  15          2HG2      ILE  15   4.753   6.829  -0.317
   94   3HG2  ILE  15          3HG2      ILE  15   3.386   5.961  -1.017
   95   1HD1  ILE  15          1HD1      ILE  15   6.954   6.260  -1.759
   96   2HD1  ILE  15          2HD1      ILE  15   7.739   5.097  -2.828
   97   3HD1  ILE  15          3HD1      ILE  15   8.025   5.030  -1.088
   98    H    CYS  16           H        CYS  16   4.026   3.342   1.755
   99    HA   CYS  16           HA       CYS  16   2.563   5.463   3.100
  100   1HB   CYS  16          2HB       CYS  16   2.011   2.521   2.721
  101   2HB   CYS  16          1HB       CYS  16   0.964   3.598   3.642
  102   1HN   NH2  17          1H        CYS  16   4.928   5.370   4.266
  103   2HN   NH2  17          2H        CYS  16   4.865   4.599   5.812
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1  -5.415   7.218  -4.723
    2   2H    GLY   1          2HT       GLY   1  -6.233   7.598  -3.291
    3   3H    GLY   1          3HT       GLY   1  -6.004   5.979  -3.730
    4   1HA   GLY   1          1HA       GLY   1  -3.528   7.399  -3.581
    5   2HA   GLY   1          2HA       GLY   1  -4.406   7.428  -2.057
    6    H    CYS   2           H        CYS   2  -1.912   5.988  -2.916
    7    HA   CYS   2           HA       CYS   2  -2.433   3.239  -3.194
    8   1HB   CYS   2          2HB       CYS   2  -0.260   4.214  -3.727
    9   2HB   CYS   2          1HB       CYS   2  -0.016   4.646  -2.039
   10    H    CYS   3           H        CYS   3  -1.595   5.121  -0.289
   11    HA   CYS   3           HA       CYS   3  -1.667   3.042   1.555
   12   1HB   CYS   3          2HB       CYS   3  -2.428   5.901   2.134
   13   2HB   CYS   3          1HB       CYS   3  -1.661   4.742   3.220
   14    H    SER   4           H        SER   4  -4.248   4.770   0.056
   15    HA   SER   4           HA       SER   4  -6.288   4.295   1.951
   16   1HB   SER   4          2HB       SER   4  -6.334   5.936   0.008
   17   2HB   SER   4          1HB       SER   4  -6.653   4.559  -1.038
   18    HG   SER   4           HG       SER   4  -8.409   4.245   0.760
   19    H    ASP   5           H        ASP   5  -4.969   2.474  -0.726
   20    HA   ASP   5           HA       ASP   5  -6.939   0.348  -0.426
   21   1HB   ASP   5          2HB       ASP   5  -6.264   0.932  -2.696
   22   2HB   ASP   5          1HB       ASP   5  -4.573   0.641  -2.296
   23    HA   PRO   6           HA       PRO   6  -4.443  -1.717   2.616
   24   1HB   PRO   6          2HB       PRO   6  -5.627  -4.197   2.318
   25   2HB   PRO   6          1HB       PRO   6  -6.256  -2.893   3.328
   26   1HG   PRO   6          2HG       PRO   6  -7.058  -3.711   0.570
   27   2HG   PRO   6          1HG       PRO   6  -8.072  -3.174   1.922
   28   1HD   PRO   6          2HD       PRO   6  -7.456  -1.541  -0.123
   29   2HD   PRO   6          1HD       PRO   6  -7.611  -0.937   1.541
   30    H    ARG   7           H        ARG   7  -4.952  -3.118  -0.595
   31    HA   ARG   7           HA       ARG   7  -2.832  -4.996  -0.445
   32   1HB   ARG   7          2HB       ARG   7  -4.127  -3.731  -2.865
   33   2HB   ARG   7          1HB       ARG   7  -3.064  -5.131  -2.900
   34   1HG   ARG   7          2HG       ARG   7  -4.641  -6.511  -1.900
   35   2HG   ARG   7          1HG       ARG   7  -5.567  -5.150  -1.262
   36   1HD   ARG   7          2HD       ARG   7  -5.293  -5.844  -4.185
   37   2HD   ARG   7          1HD       ARG   7  -6.676  -6.256  -3.173
   38    HE   ARG   7           HE       ARG   7  -6.228  -3.487  -2.994
   39   1HH1  ARG   7          1HH1      ARG   7  -7.266  -5.845  -5.371
   40   2HH1  ARG   7          2HH1      ARG   7  -8.286  -4.729  -6.212
   41   1HH2  ARG   7          1HH2      ARG   7  -7.561  -2.035  -4.054
   42   2HH2  ARG   7          2HH2      ARG   7  -8.455  -2.536  -5.464
   43    H    CYS   8           H        CYS   8  -3.109  -1.833  -2.027
   44    HA   CYS   8           HA       CYS   8  -0.430  -1.650  -2.879
   45   1HB   CYS   8          2HB       CYS   8  -2.457  -0.207  -3.555
   46   2HB   CYS   8          1HB       CYS   8  -2.113   0.733  -2.108
   47    H    ASN   9           H        ASN   9  -2.022  -0.803   0.133
   48    HA   ASN   9           HA       ASN   9   0.093   0.622   1.351
   49   1HB   ASN   9          2HB       ASN   9  -2.383   0.429   2.070
   50   2HB   ASN   9          1HB       ASN   9  -1.910  -1.085   2.828
   51   1HD2  ASN   9          1HD2      ASN   9  -2.580   1.953   3.525
   52   2HD2  ASN   9          2HD2      ASN   9  -1.528   2.219   4.872
   53    H    TYR  10           H        TYR  10  -0.917  -2.765   1.565
   54    HA   TYR  10           HA       TYR  10   1.173  -3.626   3.268
   55   1HB   TYR  10          2HB       TYR  10  -0.986  -4.808   2.993
   56   2HB   TYR  10          1HB       TYR  10  -0.524  -5.242   1.352
   57    HD1  TYR  10           1HD      TYR  10  -0.085  -7.499   1.214
   58    HD2  TYR  10           2HD      TYR  10   1.257  -5.368   4.643
   59    HE1  TYR  10           1HE      TYR  10   0.986  -9.544   2.059
   60    HE2  TYR  10           2HE      TYR  10   2.334  -7.407   5.496
   61    HH   TYR  10           HH       TYR  10   3.266  -9.715   4.102
   62    H    ASP  11           H        ASP  11   0.955  -3.166  -0.146
   63    HA   ASP  11           HA       ASP  11   3.258  -4.802  -0.788
   64   1HB   ASP  11          2HB       ASP  11   1.337  -4.527  -2.343
   65   2HB   ASP  11          1HB       ASP  11   1.708  -2.821  -2.478
   66    H    HIS  12           H        HIS  12   2.470  -1.391  -0.414
   67    HA   HIS  12           HA       HIS  12   5.340  -0.761  -0.735
   68   1HB   HIS  12          2HB       HIS  12   3.057   1.143  -1.269
   69   2HB   HIS  12          1HB       HIS  12   4.752   1.355  -1.691
   70    HD1  HIS  12           1HD      HIS  12   2.056   1.182  -3.576
   71    HD2  HIS  12           2HD      HIS  12   5.112  -1.598  -3.192
   72    HE1  HIS  12           1HE      HIS  12   1.975  -0.203  -5.668
   73    HE2  HIS  12           2HE      HIS  12   3.592  -2.081  -5.213
   74    HA   PRO  13           HA       PRO  13   3.883   0.432   3.611
   75   1HB   PRO  13          2HB       PRO  13   6.285  -1.058   4.435
   76   2HB   PRO  13          1HB       PRO  13   4.627  -1.188   5.028
   77   1HG   PRO  13          2HG       PRO  13   5.740  -3.114   3.529
   78   2HG   PRO  13          1HG       PRO  13   4.019  -2.702   3.396
   79   1HD   PRO  13          2HD       PRO  13   6.301  -1.916   1.617
   80   2HD   PRO  13          1HD       PRO  13   4.664  -2.448   1.179
   81    H    GLU  14           H        GLU  14   6.880   0.414   1.859
   82    HA   GLU  14           HA       GLU  14   8.410   2.125   3.480
   83   1HB   GLU  14          2HB       GLU  14   9.700   2.538   1.365
   84   2HB   GLU  14          1HB       GLU  14   9.479   0.838   1.759
   85   1HG   GLU  14          2HG       GLU  14   7.595   0.754   0.162
   86   2HG   GLU  14          1HG       GLU  14   7.934   2.426  -0.279
   87    H    ILE  15           H        ILE  15   6.231   2.768   0.773
   88    HA   ILE  15           HA       ILE  15   6.597   5.615   0.889
   89    HB   ILE  15           HB       ILE  15   4.452   4.028  -0.540
   90   1HG1  ILE  15          2HG1      ILE  15   7.081   5.090  -1.604
   91   2HG1  ILE  15          1HG1      ILE  15   6.761   3.402  -1.220
   92   1HG2  ILE  15          1HG2      ILE  15   4.033   5.974  -1.832
   93   2HG2  ILE  15          2HG2      ILE  15   5.439   6.803  -1.163
   94   3HG2  ILE  15          3HG2      ILE  15   4.036   6.482  -0.142
   95   1HD1  ILE  15          1HD1      ILE  15   6.594   4.217  -3.666
   96   2HD1  ILE  15          2HD1      ILE  15   5.022   4.843  -3.169
   97   3HD1  ILE  15          3HD1      ILE  15   5.366   3.120  -3.033
   98    H    CYS  16           H        CYS  16   4.066   3.312   1.786
   99    HA   CYS  16           HA       CYS  16   2.493   5.406   3.038
  100   1HB   CYS  16          2HB       CYS  16   2.035   2.458   2.614
  101   2HB   CYS  16          1HB       CYS  16   0.919   3.490   3.510
  102   1HN   NH2  17          1H        CYS  16   4.949   5.118   4.255
  103   2HN   NH2  17          2H        CYS  16   4.741   4.455   5.837
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1  -4.435   9.063  -3.452
    2   2H    GLY   1          2HT       GLY   1  -4.861   9.370  -1.844
    3   3H    GLY   1          3HT       GLY   1  -5.414   7.967  -2.614
    4   1HA   GLY   1          1HA       GLY   1  -2.548   8.231  -2.629
    5   2HA   GLY   1          2HA       GLY   1  -3.243   8.097  -1.019
    6    H    CYS   2           H        CYS   2  -1.616   6.201  -2.708
    7    HA   CYS   2           HA       CYS   2  -3.274   4.057  -3.531
    8   1HB   CYS   2          2HB       CYS   2  -0.713   4.618  -3.968
    9   2HB   CYS   2          1HB       CYS   2  -0.483   3.550  -2.597
   10    H    CYS   3           H        CYS   3  -1.913   4.999  -0.491
   11    HA   CYS   3           HA       CYS   3  -1.996   2.654   0.983
   12   1HB   CYS   3          2HB       CYS   3  -2.694   5.312   2.182
   13   2HB   CYS   3          1HB       CYS   3  -1.690   4.021   2.845
   14    H    SER   4           H        SER   4  -4.576   4.533  -0.231
   15    HA   SER   4           HA       SER   4  -6.588   4.039   1.669
   16   1HB   SER   4          2HB       SER   4  -6.657   5.624  -0.347
   17   2HB   SER   4          1HB       SER   4  -7.037   4.205  -1.317
   18    HG   SER   4           HG       SER   4  -8.762   3.930   0.422
   19    H    ASP   5           H        ASP   5  -5.192   2.181  -0.907
   20    HA   ASP   5           HA       ASP   5  -7.089  -0.006  -0.511
   21   1HB   ASP   5          2HB       ASP   5  -6.671   0.435  -2.822
   22   2HB   ASP   5          1HB       ASP   5  -4.931   0.498  -2.566
   23    HA   PRO   6           HA       PRO   6  -4.394  -1.760   2.537
   24   1HB   PRO   6          2HB       PRO   6  -5.490  -4.298   2.431
   25   2HB   PRO   6          1HB       PRO   6  -6.122  -2.958   3.391
   26   1HG   PRO   6          2HG       PRO   6  -7.003  -3.958   0.715
   27   2HG   PRO   6          1HG       PRO   6  -7.983  -3.384   2.078
   28   1HD   PRO   6          2HD       PRO   6  -7.525  -1.837  -0.062
   29   2HD   PRO   6          1HD       PRO   6  -7.602  -1.153   1.575
   30    H    ARG   7           H        ARG   7  -4.858  -3.277  -0.613
   31    HA   ARG   7           HA       ARG   7  -2.753  -5.161  -0.387
   32   1HB   ARG   7          2HB       ARG   7  -3.716  -3.910  -2.958
   33   2HB   ARG   7          1HB       ARG   7  -2.992  -5.496  -2.740
   34   1HG   ARG   7          2HG       ARG   7  -4.951  -6.306  -1.626
   35   2HG   ARG   7          1HG       ARG   7  -5.664  -4.691  -1.613
   36   1HD   ARG   7          2HD       ARG   7  -5.747  -4.697  -4.051
   37   2HD   ARG   7          1HD       ARG   7  -5.001  -6.294  -4.082
   38    HE   ARG   7           HE       ARG   7  -7.028  -7.219  -3.595
   39   1HH1  ARG   7          1HH1      ARG   7  -7.233  -3.750  -3.022
   40   2HH1  ARG   7          2HH1      ARG   7  -8.925  -3.807  -2.646
   41   1HH2  ARG   7          1HH2      ARG   7  -9.257  -7.264  -3.094
   42   2HH2  ARG   7          2HH2      ARG   7 -10.074  -5.793  -2.687
   43    H    CYS   8           H        CYS   8  -2.966  -1.995  -1.971
   44    HA   CYS   8           HA       CYS   8  -0.245  -1.825  -2.714
   45   1HB   CYS   8          2HB       CYS   8  -2.168  -0.392  -3.574
   46   2HB   CYS   8          1HB       CYS   8  -2.023   0.538  -2.087
   47    H    ASN   9           H        ASN   9  -1.992  -0.918   0.190
   48    HA   ASN   9           HA       ASN   9   0.079   0.538   1.451
   49   1HB   ASN   9          2HB       ASN   9  -2.399   0.475   2.077
   50   2HB   ASN   9          1HB       ASN   9  -2.060  -1.064   2.859
   51   1HD2  ASN   9          1HD2      ASN   9  -1.678  -0.940   4.940
   52   2HD2  ASN   9          2HD2      ASN   9  -1.016   0.418   5.775
   53    H    TYR  10           H        TYR  10  -0.903  -2.852   1.618
   54    HA   TYR  10           HA       TYR  10   1.081  -3.620   3.519
   55   1HB   TYR  10          2HB       TYR  10  -1.063  -4.821   3.211
   56   2HB   TYR  10          1HB       TYR  10  -0.534  -5.329   1.613
   57    HD1  TYR  10           1HD      TYR  10   1.113  -5.298   4.976
   58    HD2  TYR  10           2HD      TYR  10  -0.085  -7.587   1.595
   59    HE1  TYR  10           1HE      TYR  10   2.161  -7.291   5.962
   60    HE2  TYR  10           2HE      TYR  10   0.959  -9.586   2.573
   61    HH   TYR  10           HH       TYR  10   3.156  -9.649   4.721
   62    H    ASP  11           H        ASP  11   0.996  -3.311   0.085
   63    HA   ASP  11           HA       ASP  11   3.320  -4.970  -0.402
   64   1HB   ASP  11          2HB       ASP  11   1.451  -4.768  -2.029
   65   2HB   ASP  11          1HB       ASP  11   1.829  -3.067  -2.230
   66    H    HIS  12           H        HIS  12   2.524  -1.543  -0.212
   67    HA   HIS  12           HA       HIS  12   5.393  -0.919  -0.522
   68   1HB   HIS  12          2HB       HIS  12   3.072   0.924  -1.119
   69   2HB   HIS  12          1HB       HIS  12   4.772   1.201  -1.492
   70    HD1  HIS  12           1HD      HIS  12   2.236   0.959  -3.518
   71    HD2  HIS  12           2HD      HIS  12   5.223  -1.841  -2.862
   72    HE1  HIS  12           1HE      HIS  12   2.231  -0.515  -5.547
   73    HE2  HIS  12           2HE      HIS  12   3.805  -2.386  -4.939
   74    HA   PRO  13           HA       PRO  13   4.205   0.303   3.797
   75   1HB   PRO  13          2HB       PRO  13   6.743  -0.916   4.548
   76   2HB   PRO  13          1HB       PRO  13   5.114  -1.312   5.098
   77   1HG   PRO  13          2HG       PRO  13   6.565  -2.963   3.516
   78   2HG   PRO  13          1HG       PRO  13   4.794  -2.877   3.447
   79   1HD   PRO  13          2HD       PRO  13   6.826  -1.613   1.640
   80   2HD   PRO  13          1HD       PRO  13   5.303  -2.427   1.224
   81    H    GLU  14           H        GLU  14   7.011   0.735   1.786
   82    HA   GLU  14           HA       GLU  14   8.231   2.671   3.548
   83   1HB   GLU  14          2HB       GLU  14   9.971   2.871   1.960
   84   2HB   GLU  14          1HB       GLU  14   9.527   1.175   1.956
   85   1HG   GLU  14          2HG       GLU  14   8.577   3.169  -0.087
   86   2HG   GLU  14          1HG       GLU  14  10.000   2.156  -0.286
   87    H    ILE  15           H        ILE  15   6.356   2.691   0.566
   88    HA   ILE  15           HA       ILE  15   6.410   5.537   0.258
   89    HB   ILE  15           HB       ILE  15   4.467   3.539  -0.927
   90   1HG1  ILE  15          2HG1      ILE  15   7.008   4.688  -2.108
   91   2HG1  ILE  15          1HG1      ILE  15   6.848   3.058  -1.464
   92   1HG2  ILE  15          1HG2      ILE  15   5.137   6.382  -1.677
   93   2HG2  ILE  15          2HG2      ILE  15   3.594   5.772  -1.075
   94   3HG2  ILE  15          3HG2      ILE  15   4.174   5.288  -2.671
   95   1HD1  ILE  15          1HD1      ILE  15   5.842   2.300  -3.311
   96   2HD1  ILE  15          2HD1      ILE  15   6.543   3.732  -4.065
   97   3HD1  ILE  15          3HD1      ILE  15   4.871   3.759  -3.506
   98    H    CYS  16           H        CYS  16   4.092   3.196   1.541
   99    HA   CYS  16           HA       CYS  16   2.394   5.381   2.490
  100   1HB   CYS  16          2HB       CYS  16   1.968   2.417   2.200
  101   2HB   CYS  16          1HB       CYS  16   0.854   3.436   3.105
  102   1HN   NH2  17          1H        CYS  16   5.006   4.699   3.664
  103   2HN   NH2  17          2H        CYS  16   4.699   4.347   5.326
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1  -5.010   7.597  -4.559
    2   2H    GLY   1          2HT       GLY   1  -5.920   7.923  -3.170
    3   3H    GLY   1          3HT       GLY   1  -5.746   6.329  -3.711
    4   1HA   GLY   1          1HA       GLY   1  -3.222   7.598  -3.254
    5   2HA   GLY   1          2HA       GLY   1  -4.221   7.534  -1.808
    6    H    CYS   2           H        CYS   2  -1.731   6.056  -2.583
    7    HA   CYS   2           HA       CYS   2  -2.380   3.361  -3.130
    8   1HB   CYS   2          2HB       CYS   2  -0.143   4.245  -3.513
    9   2HB   CYS   2          1HB       CYS   2   0.056   4.559  -1.794
   10    H    CYS   3           H        CYS   3  -1.607   5.008  -0.076
   11    HA   CYS   3           HA       CYS   3  -1.818   2.835   1.643
   12   1HB   CYS   3          2HB       CYS   3  -2.675   5.573   2.497
   13   2HB   CYS   3          1HB       CYS   3  -1.687   4.393   3.357
   14    H    SER   4           H        SER   4  -4.277   4.692   0.097
   15    HA   SER   4           HA       SER   4  -6.442   4.218   1.826
   16   1HB   SER   4          2HB       SER   4  -6.323   5.857  -0.124
   17   2HB   SER   4          1HB       SER   4  -6.619   4.480  -1.179
   18    HG   SER   4           HG       SER   4  -8.487   4.206   0.482
   19    H    ASP   5           H        ASP   5  -4.967   2.373  -0.749
   20    HA   ASP   5           HA       ASP   5  -6.972   0.260  -0.513
   21   1HB   ASP   5          2HB       ASP   5  -6.288   0.832  -2.782
   22   2HB   ASP   5          1HB       ASP   5  -4.598   0.553  -2.370
   23    HA   PRO   6           HA       PRO   6  -4.486  -1.775   2.545
   24   1HB   PRO   6          2HB       PRO   6  -5.654  -4.268   2.253
   25   2HB   PRO   6          1HB       PRO   6  -6.288  -2.964   3.260
   26   1HG   PRO   6          2HG       PRO   6  -7.091  -3.795   0.506
   27   2HG   PRO   6          1HG       PRO   6  -8.104  -3.249   1.855
   28   1HD   PRO   6          2HD       PRO   6  -7.490  -1.629  -0.199
   29   2HD   PRO   6          1HD       PRO   6  -7.647  -1.013   1.458
   30    H    ARG   7           H        ARG   7  -4.929  -3.203  -0.680
   31    HA   ARG   7           HA       ARG   7  -2.767  -5.038  -0.425
   32   1HB   ARG   7          2HB       ARG   7  -4.186  -3.947  -2.858
   33   2HB   ARG   7          1HB       ARG   7  -2.880  -5.118  -2.960
   34   1HG   ARG   7          2HG       ARG   7  -4.854  -6.367  -3.117
   35   2HG   ARG   7          1HG       ARG   7  -4.288  -6.607  -1.464
   36   1HD   ARG   7          2HD       ARG   7  -6.710  -6.227  -1.562
   37   2HD   ARG   7          1HD       ARG   7  -5.880  -4.965  -0.653
   38    HE   ARG   7           HE       ARG   7  -6.593  -3.431  -2.190
   39   1HH1  ARG   7          1HH1      ARG   7  -6.927  -6.622  -3.626
   40   2HH1  ARG   7          2HH1      ARG   7  -7.668  -6.020  -5.068
   41   1HH2  ARG   7          1HH2      ARG   7  -7.540  -2.650  -4.044
   42   2HH2  ARG   7          2HH2      ARG   7  -8.024  -3.737  -5.315
   43    H    CYS   8           H        CYS   8  -3.116  -1.905  -2.044
   44    HA   CYS   8           HA       CYS   8  -0.442  -1.649  -2.888
   45   1HB   CYS   8          2HB       CYS   8  -2.492  -0.246  -3.560
   46   2HB   CYS   8          1HB       CYS   8  -2.199   0.674  -2.089
   47    H    ASN   9           H        ASN   9  -2.079  -0.789   0.108
   48    HA   ASN   9           HA       ASN   9   0.018   0.633   1.344
   49   1HB   ASN   9          2HB       ASN   9  -2.448   0.469   2.056
   50   2HB   ASN   9          1HB       ASN   9  -2.013  -1.065   2.795
   51   1HD2  ASN   9          1HD2      ASN   9  -1.567  -0.952   4.860
   52   2HD2  ASN   9          2HD2      ASN   9  -0.913   0.411   5.691
   53    H    TYR  10           H        TYR  10  -0.936  -2.771   1.516
   54    HA   TYR  10           HA       TYR  10   1.097  -3.576   3.317
   55   1HB   TYR  10          2HB       TYR  10  -0.995  -4.823   3.020
   56   2HB   TYR  10          1HB       TYR  10  -0.539  -5.210   1.366
   57    HD1  TYR  10           1HD      TYR  10   1.233  -5.399   4.662
   58    HD2  TYR  10           2HD      TYR  10  -0.017  -7.437   1.142
   59    HE1  TYR  10           1HE      TYR  10   2.360  -7.437   5.449
   60    HE2  TYR  10           2HE      TYR  10   1.105  -9.480   1.921
   61    HH   TYR  10           HH       TYR  10   3.341  -9.724   3.861
   62    H    ASP  11           H        ASP  11   0.966  -3.259  -0.137
   63    HA   ASP  11           HA       ASP  11   3.372  -4.805  -0.597
   64   1HB   ASP  11          2HB       ASP  11   1.455  -4.712  -2.200
   65   2HB   ASP  11          1HB       ASP  11   1.829  -3.029  -2.498
   66    H    HIS  12           H        HIS  12   2.433  -1.464  -0.269
   67    HA   HIS  12           HA       HIS  12   5.246  -0.675  -0.717
   68   1HB   HIS  12          2HB       HIS  12   2.806   1.057  -1.162
   69   2HB   HIS  12          1HB       HIS  12   4.474   1.451  -1.569
   70    HD1  HIS  12           1HD      HIS  12   1.925   1.195  -3.544
   71    HD2  HIS  12           2HD      HIS  12   5.020  -1.525  -3.078
   72    HE1  HIS  12           1HE      HIS  12   1.966  -0.148  -5.665
   73    HE2  HIS  12           2HE      HIS  12   3.615  -1.992  -5.178
   74    HA   PRO  13           HA       PRO  13   3.887   0.472   3.688
   75   1HB   PRO  13          2HB       PRO  13   6.333  -0.973   4.455
   76   2HB   PRO  13          1HB       PRO  13   4.695  -1.127   5.095
   77   1HG   PRO  13          2HG       PRO  13   5.803  -3.045   3.578
   78   2HG   PRO  13          1HG       PRO  13   4.072  -2.670   3.497
   79   1HD   PRO  13          2HD       PRO  13   6.278  -1.859   1.637
   80   2HD   PRO  13          1HD       PRO  13   4.634  -2.419   1.258
   81    H    GLU  14           H        GLU  14   6.872   0.399   1.906
   82    HA   GLU  14           HA       GLU  14   8.394   2.208   3.423
   83   1HB   GLU  14          2HB       GLU  14   9.615   2.528   1.204
   84   2HB   GLU  14          1HB       GLU  14   9.535   0.885   1.828
   85   1HG   GLU  14          2HG       GLU  14   7.679   0.397   0.318
   86   2HG   GLU  14          1HG       GLU  14   7.749   2.044  -0.302
   87    H    ILE  15           H        ILE  15   6.234   2.672   0.664
   88    HA   ILE  15           HA       ILE  15   6.603   5.500   0.530
   89    HB   ILE  15           HB       ILE  15   4.367   3.822  -0.627
   90   1HG1  ILE  15          2HG1      ILE  15   6.948   4.748  -1.912
   91   2HG1  ILE  15          1HG1      ILE  15   6.625   3.104  -1.371
   92   1HG2  ILE  15          1HG2      ILE  15   4.863   6.657  -0.591
   93   2HG2  ILE  15          2HG2      ILE  15   3.473   5.769  -1.218
   94   3HG2  ILE  15          3HG2      ILE  15   4.881   6.043  -2.245
   95   1HD1  ILE  15          1HD1      ILE  15   6.366   3.450  -3.811
   96   2HD1  ILE  15          2HD1      ILE  15   5.017   4.537  -3.472
   97   3HD1  ILE  15          3HD1      ILE  15   4.915   2.834  -3.018
   98    H    CYS  16           H        CYS  16   4.055   3.366   1.759
   99    HA   CYS  16           HA       CYS  16   2.654   5.633   2.929
  100   1HB   CYS  16          2HB       CYS  16   2.003   2.696   2.734
  101   2HB   CYS  16          1HB       CYS  16   1.006   3.847   3.618
  102   1HN   NH2  17          1H        CYS  16   5.095   5.407   4.062
  103   2HN   NH2  17          2H        CYS  16   4.972   4.809   5.676
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1  -5.780   6.430  -3.864
    2   2H    GLY   1          2HT       GLY   1  -5.040   7.684  -4.726
    3   3H    GLY   1          3HT       GLY   1  -5.953   8.032  -3.346
    4   1HA   GLY   1          1HA       GLY   1  -3.254   7.696  -3.422
    5   2HA   GLY   1          2HA       GLY   1  -4.257   7.667  -1.976
    6    H    CYS   2           H        CYS   2  -1.772   6.163  -2.715
    7    HA   CYS   2           HA       CYS   2  -2.423   3.460  -3.212
    8   1HB   CYS   2          2HB       CYS   2  -0.187   4.266  -3.614
    9   2HB   CYS   2          1HB       CYS   2  -0.001   4.738  -1.930
   10    H    CYS   3           H        CYS   3  -1.718   5.175  -0.186
   11    HA   CYS   3           HA       CYS   3  -1.940   3.009   1.555
   12   1HB   CYS   3          2HB       CYS   3  -2.692   5.814   2.322
   13   2HB   CYS   3          1HB       CYS   3  -1.866   4.591   3.283
   14    H    SER   4           H        SER   4  -4.368   4.726  -0.119
   15    HA   SER   4           HA       SER   4  -6.546   4.405   1.648
   16   1HB   SER   4          2HB       SER   4  -6.418   5.894  -0.421
   17   2HB   SER   4          1HB       SER   4  -6.706   4.442  -1.371
   18    HG   SER   4           HG       SER   4  -8.593   4.266   0.252
   19    H    ASP   5           H        ASP   5  -5.005   2.377  -0.721
   20    HA   ASP   5           HA       ASP   5  -6.992   0.258  -0.295
   21   1HB   ASP   5          2HB       ASP   5  -6.637   0.549  -2.609
   22   2HB   ASP   5          1HB       ASP   5  -4.895   0.713  -2.410
   23    HA   PRO   6           HA       PRO   6  -4.267  -1.588   2.680
   24   1HB   PRO   6          2HB       PRO   6  -5.444  -4.092   2.591
   25   2HB   PRO   6          1HB       PRO   6  -6.010  -2.742   3.581
   26   1HG   PRO   6          2HG       PRO   6  -7.005  -3.700   0.933
   27   2HG   PRO   6          1HG       PRO   6  -7.921  -3.097   2.327
   28   1HD   PRO   6          2HD       PRO   6  -7.470  -1.567   0.165
   29   2HD   PRO   6          1HD       PRO   6  -7.501  -0.880   1.802
   30    H    ARG   7           H        ARG   7  -4.942  -3.035  -0.466
   31    HA   ARG   7           HA       ARG   7  -2.877  -4.982  -0.399
   32   1HB   ARG   7          2HB       ARG   7  -4.021  -3.614  -2.840
   33   2HB   ARG   7          1HB       ARG   7  -3.211  -5.173  -2.785
   34   1HG   ARG   7          2HG       ARG   7  -5.025  -6.203  -1.718
   35   2HG   ARG   7          1HG       ARG   7  -5.758  -4.653  -1.290
   36   1HD   ARG   7          2HD       ARG   7  -6.147  -4.195  -3.666
   37   2HD   ARG   7          1HD       ARG   7  -5.436  -5.753  -4.080
   38    HE   ARG   7           HE       ARG   7  -7.491  -6.257  -2.293
   39   1HH1  ARG   7          1HH1      ARG   7  -7.139  -4.861  -5.469
   40   2HH1  ARG   7          2HH1      ARG   7  -8.698  -5.374  -6.021
   41   1HH2  ARG   7          1HH2      ARG   7  -9.562  -6.949  -3.001
   42   2HH2  ARG   7          2HH2      ARG   7 -10.085  -6.569  -4.608
   43    H    CYS   8           H        CYS   8  -3.094  -1.801  -1.943
   44    HA   CYS   8           HA       CYS   8  -0.433  -1.635  -2.828
   45   1HB   CYS   8          2HB       CYS   8  -2.437  -0.160  -3.457
   46   2HB   CYS   8          1HB       CYS   8  -2.108   0.732  -1.978
   47    H    ASN   9           H        ASN   9  -1.958  -0.809   0.234
   48    HA   ASN   9           HA       ASN   9   0.246   0.531   1.409
   49   1HB   ASN   9          2HB       ASN   9  -2.183   0.542   2.192
   50   2HB   ASN   9          1HB       ASN   9  -1.874  -1.042   2.881
   51   1HD2  ASN   9          1HD2      ASN   9   1.000   0.353   3.273
   52   2HD2  ASN   9          2HD2      ASN   9   0.777   1.119   4.809
   53    H    TYR  10           H        TYR  10  -0.858  -2.833   1.523
   54    HA   TYR  10           HA       TYR  10   1.188  -3.768   3.257
   55   1HB   TYR  10          2HB       TYR  10  -0.993  -4.907   2.920
   56   2HB   TYR  10          1HB       TYR  10  -0.498  -5.326   1.284
   57    HD1  TYR  10           1HD      TYR  10  -0.101  -7.589   1.133
   58    HD2  TYR  10           2HD      TYR  10   1.219  -5.516   4.606
   59    HE1  TYR  10           1HE      TYR  10   0.923  -9.661   1.973
   60    HE2  TYR  10           2HE      TYR  10   2.248  -7.581   5.455
   61    HH   TYR  10           HH       TYR  10   3.165  -9.888   4.063
   62    H    ASP  11           H        ASP  11   0.998  -3.231  -0.146
   63    HA   ASP  11           HA       ASP  11   3.297  -4.869  -0.814
   64   1HB   ASP  11          2HB       ASP  11   1.386  -4.552  -2.371
   65   2HB   ASP  11          1HB       ASP  11   1.752  -2.841  -2.458
   66    H    HIS  12           H        HIS  12   2.516  -1.477  -0.344
   67    HA   HIS  12           HA       HIS  12   5.366  -0.797  -0.706
   68   1HB   HIS  12          2HB       HIS  12   3.002   1.062  -1.044
   69   2HB   HIS  12          1HB       HIS  12   4.682   1.387  -1.468
   70    HD1  HIS  12           1HD      HIS  12   2.050   1.284  -3.383
   71    HD2  HIS  12           2HD      HIS  12   5.094  -1.519  -3.111
   72    HE1  HIS  12           1HE      HIS  12   1.972  -0.004  -5.535
   73    HE2  HIS  12           2HE      HIS  12   3.587  -1.903  -5.161
   74    HA   PRO  13           HA       PRO  13   4.356  -0.017   3.757
   75   1HB   PRO  13          2HB       PRO  13   6.704  -0.975   4.720
   76   2HB   PRO  13          1HB       PRO  13   5.305  -2.005   4.394
   77   1HG   PRO  13          2HG       PRO  13   7.748  -1.541   2.729
   78   2HG   PRO  13          1HG       PRO  13   6.889  -3.058   3.062
   79   1HD   PRO  13          2HD       PRO  13   6.587  -1.670   0.750
   80   2HD   PRO  13          1HD       PRO  13   5.289  -2.648   1.463
   81    H    GLU  14           H        GLU  14   7.224   0.658   1.823
   82    HA   GLU  14           HA       GLU  14   8.296   2.614   3.595
   83   1HB   GLU  14          2HB       GLU  14   9.849   3.157   1.827
   84   2HB   GLU  14          1HB       GLU  14   9.675   1.412   1.917
   85   1HG   GLU  14          2HG       GLU  14   8.361   3.216  -0.106
   86   2HG   GLU  14          1HG       GLU  14   9.767   2.198  -0.390
   87    H    ILE  15           H        ILE  15   6.310   2.795   0.664
   88    HA   ILE  15           HA       ILE  15   6.194   5.645   0.643
   89    HB   ILE  15           HB       ILE  15   4.341   3.655  -0.683
   90   1HG1  ILE  15          2HG1      ILE  15   6.740   5.123  -1.804
   91   2HG1  ILE  15          1HG1      ILE  15   6.725   3.424  -1.345
   92   1HG2  ILE  15          1HG2      ILE  15   3.643   6.135  -0.354
   93   2HG2  ILE  15          2HG2      ILE  15   3.449   5.380  -1.936
   94   3HG2  ILE  15          3HG2      ILE  15   4.819   6.446  -1.630
   95   1HD1  ILE  15          1HD1      ILE  15   5.116   2.932  -3.068
   96   2HD1  ILE  15          2HD1      ILE  15   6.498   3.776  -3.767
   97   3HD1  ILE  15          3HD1      ILE  15   4.988   4.641  -3.479
   98    H    CYS  16           H        CYS  16   4.001   3.092   1.754
   99    HA   CYS  16           HA       CYS  16   2.386   5.157   3.084
  100   1HB   CYS  16          2HB       CYS  16   1.708   2.359   2.196
  101   2HB   CYS  16          1HB       CYS  16   0.665   3.308   3.254
  102   1HN   NH2  17          1H        CYS  16   4.602   4.799   4.404
  103   2HN   NH2  17          2H        CYS  16   4.400   3.804   5.801
  Start of MODEL   11
    1   1H    GLY   1          1HT       GLY   1  -4.966   7.828  -4.634
    2   2H    GLY   1          2HT       GLY   1  -5.868   8.206  -3.254
    3   3H    GLY   1          3HT       GLY   1  -5.759   6.601  -3.777
    4   1HA   GLY   1          1HA       GLY   1  -3.190   7.792  -3.307
    5   2HA   GLY   1          2HA       GLY   1  -4.205   7.743  -1.869
    6    H    CYS   2           H        CYS   2  -1.745   6.199  -2.674
    7    HA   CYS   2           HA       CYS   2  -2.458   3.524  -3.225
    8   1HB   CYS   2          2HB       CYS   2  -0.205   4.282  -3.618
    9   2HB   CYS   2          1HB       CYS   2  -0.005   4.721  -1.928
   10    H    CYS   3           H        CYS   3  -1.718   5.161  -0.162
   11    HA   CYS   3           HA       CYS   3  -1.950   2.968   1.536
   12   1HB   CYS   3          2HB       CYS   3  -2.722   5.749   2.366
   13   2HB   CYS   3          1HB       CYS   3  -1.883   4.510   3.293
   14    H    SER   4           H        SER   4  -4.380   4.722  -0.106
   15    HA   SER   4           HA       SER   4  -6.560   4.334   1.646
   16   1HB   SER   4          2HB       SER   4  -6.426   5.884  -0.389
   17   2HB   SER   4          1HB       SER   4  -6.742   4.456  -1.367
   18    HG   SER   4           HG       SER   4  -8.603   4.268   0.292
   19    H    ASP   5           H        ASP   5  -5.011   2.390  -0.792
   20    HA   ASP   5           HA       ASP   5  -6.987   0.253  -0.455
   21   1HB   ASP   5          2HB       ASP   5  -6.452   0.776  -2.764
   22   2HB   ASP   5          1HB       ASP   5  -4.730   0.604  -2.445
   23    HA   PRO   6           HA       PRO   6  -4.380  -1.602   2.621
   24   1HB   PRO   6          2HB       PRO   6  -5.533  -4.110   2.490
   25   2HB   PRO   6          1HB       PRO   6  -6.165  -2.756   3.429
   26   1HG   PRO   6          2HG       PRO   6  -6.991  -3.739   0.729
   27   2HG   PRO   6          1HG       PRO   6  -7.997  -3.157   2.070
   28   1HD   PRO   6          2HD       PRO   6  -7.455  -1.608  -0.052
   29   2HD   PRO   6          1HD       PRO   6  -7.574  -0.929   1.585
   30    H    ARG   7           H        ARG   7  -4.894  -3.169  -0.508
   31    HA   ARG   7           HA       ARG   7  -2.751  -5.024  -0.290
   32   1HB   ARG   7          2HB       ARG   7  -3.912  -3.839  -2.817
   33   2HB   ARG   7          1HB       ARG   7  -3.017  -5.345  -2.674
   34   1HG   ARG   7          2HG       ARG   7  -4.794  -6.447  -1.654
   35   2HG   ARG   7          1HG       ARG   7  -5.597  -4.937  -1.210
   36   1HD   ARG   7          2HD       ARG   7  -6.731  -6.064  -3.079
   37   2HD   ARG   7          1HD       ARG   7  -6.097  -4.487  -3.546
   38    HE   ARG   7           HE       ARG   7  -4.240  -6.560  -4.133
   39   1HH1  ARG   7          1HH1      ARG   7  -7.188  -5.034  -5.258
   40   2HH1  ARG   7          2HH1      ARG   7  -6.973  -5.516  -6.910
   41   1HH2  ARG   7          1HH2      ARG   7  -3.933  -7.216  -6.313
   42   2HH2  ARG   7          2HH2      ARG   7  -5.105  -6.774  -7.513
   43    H    CYS   8           H        CYS   8  -3.112  -1.865  -1.824
   44    HA   CYS   8           HA       CYS   8  -0.471  -1.614  -2.788
   45   1HB   CYS   8          2HB       CYS   8  -2.556  -0.193  -3.346
   46   2HB   CYS   8          1HB       CYS   8  -2.169   0.716  -1.891
   47    H    ASN   9           H        ASN   9  -1.988  -0.823   0.284
   48    HA   ASN   9           HA       ASN   9   0.192   0.561   1.447
   49   1HB   ASN   9          2HB       ASN   9  -2.243   0.516   2.230
   50   2HB   ASN   9          1HB       ASN   9  -1.883  -1.049   2.939
   51   1HD2  ASN   9          1HD2      ASN   9   0.951   0.387   3.327
   52   2HD2  ASN   9          2HD2      ASN   9   0.711   1.181   4.845
   53    H    TYR  10           H        TYR  10  -0.839  -2.827   1.570
   54    HA   TYR  10           HA       TYR  10   1.225  -3.700   3.319
   55   1HB   TYR  10          2HB       TYR  10  -0.916  -4.895   3.042
   56   2HB   TYR  10          1HB       TYR  10  -0.475  -5.292   1.385
   57    HD1  TYR  10           1HD      TYR  10   1.354  -5.496   4.648
   58    HD2  TYR  10           2HD      TYR  10  -0.041  -7.546   1.191
   59    HE1  TYR  10           1HE      TYR  10   2.442  -7.554   5.437
   60    HE2  TYR  10           2HE      TYR  10   1.043  -9.610   1.970
   61    HH   TYR  10           HH       TYR  10   3.354  -9.825   3.969
   62    H    ASP  11           H        ASP  11   1.014  -3.287  -0.114
   63    HA   ASP  11           HA       ASP  11   3.364  -4.879  -0.705
   64   1HB   ASP  11          2HB       ASP  11   1.405  -4.703  -2.241
   65   2HB   ASP  11          1HB       ASP  11   1.771  -3.008  -2.475
   66    H    HIS  12           H        HIS  12   2.500  -1.543  -0.239
   67    HA   HIS  12           HA       HIS  12   5.303  -0.757  -0.740
   68   1HB   HIS  12          2HB       HIS  12   2.854   1.003  -1.005
   69   2HB   HIS  12          1HB       HIS  12   4.509   1.424  -1.443
   70    HD1  HIS  12           1HD      HIS  12   1.934   1.289  -3.374
   71    HD2  HIS  12           2HD      HIS  12   4.981  -1.507  -3.091
   72    HE1  HIS  12           1HE      HIS  12   1.888   0.022  -5.539
   73    HE2  HIS  12           2HE      HIS  12   3.516  -1.865  -5.170
   74    HA   PRO  13           HA       PRO  13   4.367  -0.019   3.760
   75   1HB   PRO  13          2HB       PRO  13   6.732  -0.988   4.679
   76   2HB   PRO  13          1HB       PRO  13   5.318  -2.007   4.389
   77   1HG   PRO  13          2HG       PRO  13   7.732  -1.578   2.676
   78   2HG   PRO  13          1HG       PRO  13   6.858  -3.082   3.026
   79   1HD   PRO  13          2HD       PRO  13   6.535  -1.690   0.717
   80   2HD   PRO  13          1HD       PRO  13   5.240  -2.655   1.450
   81    H    GLU  14           H        GLU  14   7.182   0.656   1.758
   82    HA   GLU  14           HA       GLU  14   8.306   2.597   3.520
   83   1HB   GLU  14          2HB       GLU  14   9.834   3.124   1.729
   84   2HB   GLU  14          1HB       GLU  14   9.646   1.381   1.823
   85   1HG   GLU  14          2HG       GLU  14   8.331   3.197  -0.190
   86   2HG   GLU  14          1HG       GLU  14   9.713   2.150  -0.486
   87    H    ILE  15           H        ILE  15   6.286   2.803   0.606
   88    HA   ILE  15           HA       ILE  15   6.185   5.656   0.603
   89    HB   ILE  15           HB       ILE  15   4.288   3.700  -0.715
   90   1HG1  ILE  15          2HG1      ILE  15   6.733   5.089  -1.839
   91   2HG1  ILE  15          1HG1      ILE  15   6.646   3.386  -1.404
   92   1HG2  ILE  15          1HG2      ILE  15   3.941   6.382  -0.378
   93   2HG2  ILE  15          2HG2      ILE  15   3.242   5.428  -1.689
   94   3HG2  ILE  15          3HG2      ILE  15   4.748   6.313  -1.946
   95   1HD1  ILE  15          1HD1      ILE  15   6.402   4.006  -3.861
   96   2HD1  ILE  15          2HD1      ILE  15   4.791   4.581  -3.428
   97   3HD1  ILE  15          3HD1      ILE  15   5.220   2.888  -3.180
   98    H    CYS  16           H        CYS  16   4.019   3.100   1.742
   99    HA   CYS  16           HA       CYS  16   2.407   5.158   3.089
  100   1HB   CYS  16          2HB       CYS  16   1.729   2.362   2.197
  101   2HB   CYS  16          1HB       CYS  16   0.695   3.299   3.270
  102   1HN   NH2  17          1H        CYS  16   4.700   4.722   4.334
  103   2HN   NH2  17          2H        CYS  16   4.494   3.753   5.750
  Start of MODEL   12
    1   1H    GLY   1          1HT       GLY   1  -4.567   8.993  -3.590
    2   2H    GLY   1          2HT       GLY   1  -5.004   9.317  -1.989
    3   3H    GLY   1          3HT       GLY   1  -5.512   7.884  -2.730
    4   1HA   GLY   1          1HA       GLY   1  -2.656   8.238  -2.748
    5   2HA   GLY   1          2HA       GLY   1  -3.350   8.109  -1.136
    6    H    CYS   2           H        CYS   2  -1.660   6.236  -2.793
    7    HA   CYS   2           HA       CYS   2  -3.252   4.032  -3.582
    8   1HB   CYS   2          2HB       CYS   2  -0.714   4.653  -4.033
    9   2HB   CYS   2          1HB       CYS   2  -0.450   3.621  -2.640
   10    H    CYS   3           H        CYS   3  -1.886   5.031  -0.549
   11    HA   CYS   3           HA       CYS   3  -1.939   2.691   0.934
   12   1HB   CYS   3          2HB       CYS   3  -2.631   5.380   2.089
   13   2HB   CYS   3          1HB       CYS   3  -1.686   4.077   2.811
   14    H    SER   4           H        SER   4  -4.544   4.508  -0.300
   15    HA   SER   4           HA       SER   4  -6.545   4.017   1.615
   16   1HB   SER   4          2HB       SER   4  -6.648   5.578  -0.414
   17   2HB   SER   4          1HB       SER   4  -6.992   4.142  -1.373
   18    HG   SER   4           HG       SER   4  -8.720   3.842   0.359
   19    H    ASP   5           H        ASP   5  -5.133   2.152  -0.952
   20    HA   ASP   5           HA       ASP   5  -7.011  -0.053  -0.583
   21   1HB   ASP   5          2HB       ASP   5  -6.488   0.204  -2.863
   22   2HB   ASP   5          1HB       ASP   5  -4.782   0.494  -2.533
   23    HA   PRO   6           HA       PRO   6  -4.472  -1.767   2.614
   24   1HB   PRO   6          2HB       PRO   6  -5.521  -4.327   2.433
   25   2HB   PRO   6          1HB       PRO   6  -6.218  -3.011   3.380
   26   1HG   PRO   6          2HG       PRO   6  -6.974  -4.003   0.669
   27   2HG   PRO   6          1HG       PRO   6  -8.013  -3.430   1.988
   28   1HD   PRO   6          2HD       PRO   6  -7.458  -1.893  -0.145
   29   2HD   PRO   6          1HD       PRO   6  -7.642  -1.201   1.479
   30    H    ARG   7           H        ARG   7  -4.816  -3.309  -0.563
   31    HA   ARG   7           HA       ARG   7  -2.624  -5.076  -0.219
   32   1HB   ARG   7          2HB       ARG   7  -4.290  -5.505  -1.950
   33   2HB   ARG   7          1HB       ARG   7  -3.842  -4.017  -2.774
   34   1HG   ARG   7          2HG       ARG   7  -2.861  -5.970  -3.861
   35   2HG   ARG   7          1HG       ARG   7  -1.614  -4.907  -3.205
   36   1HD   ARG   7          2HD       ARG   7  -2.108  -6.608  -1.113
   37   2HD   ARG   7          1HD       ARG   7  -2.295  -7.665  -2.509
   38    HE   ARG   7           HE       ARG   7   0.064  -6.198  -2.848
   39   1HH1  ARG   7          1HH1      ARG   7  -1.237  -8.667  -0.738
   40   2HH1  ARG   7          2HH1      ARG   7   0.310  -9.336  -0.348
   41   1HH2  ARG   7          1HH2      ARG   7   2.130  -7.066  -2.337
   42   2HH2  ARG   7          2HH2      ARG   7   2.223  -8.429  -1.257
   43    H    CYS   8           H        CYS   8  -2.908  -1.975  -1.946
   44    HA   CYS   8           HA       CYS   8  -0.189  -1.765  -2.641
   45   1HB   CYS   8          2HB       CYS   8  -2.113  -0.356  -3.534
   46   2HB   CYS   8          1HB       CYS   8  -1.987   0.595  -2.056
   47    H    ASN   9           H        ASN   9  -1.947  -0.864   0.259
   48    HA   ASN   9           HA       ASN   9   0.094   0.640   1.510
   49   1HB   ASN   9          2HB       ASN   9  -2.409   0.427   2.145
   50   2HB   ASN   9          1HB       ASN   9  -1.931  -1.044   2.982
   51   1HD2  ASN   9          1HD2      ASN   9  -1.417  -0.832   5.033
   52   2HD2  ASN   9          2HD2      ASN   9  -0.889   0.619   5.802
   53    H    TYR  10           H        TYR  10  -0.856  -2.752   1.770
   54    HA   TYR  10           HA       TYR  10   1.245  -3.488   3.559
   55   1HB   TYR  10          2HB       TYR  10  -0.877  -4.695   3.497
   56   2HB   TYR  10          1HB       TYR  10  -0.592  -5.156   1.822
   57    HD1  TYR  10           1HD      TYR  10  -0.128  -7.393   1.609
   58    HD2  TYR  10           2HD      TYR  10   1.426  -5.315   4.980
   59    HE1  TYR  10           1HE      TYR  10   0.981  -9.454   2.359
   60    HE2  TYR  10           2HE      TYR  10   2.541  -7.371   5.740
   61    HH   TYR  10           HH       TYR  10   3.076  -9.478   5.213
   62    H    ASP  11           H        ASP  11   0.964  -3.189   0.149
   63    HA   ASP  11           HA       ASP  11   3.195  -4.928  -0.474
   64   1HB   ASP  11          2HB       ASP  11   1.097  -4.470  -1.917
   65   2HB   ASP  11          1HB       ASP  11   1.891  -2.968  -2.354
   66    H    HIS  12           H        HIS  12   2.543  -1.480  -0.158
   67    HA   HIS  12           HA       HIS  12   5.421  -0.979  -0.607
   68   1HB   HIS  12          2HB       HIS  12   3.197   0.966  -1.256
   69   2HB   HIS  12          1HB       HIS  12   4.901   1.115  -1.669
   70    HD1  HIS  12           1HD      HIS  12   2.284   0.983  -3.617
   71    HD2  HIS  12           2HD      HIS  12   5.135  -1.964  -2.989
   72    HE1  HIS  12           1HE      HIS  12   2.156  -0.515  -5.624
   73    HE2  HIS  12           2HE      HIS  12   3.671  -2.445  -5.046
   74    HA   PRO  13           HA       PRO  13   4.038   0.487   3.680
   75   1HB   PRO  13          2HB       PRO  13   6.535  -0.879   4.466
   76   2HB   PRO  13          1HB       PRO  13   4.924  -0.988   5.181
   77   1HG   PRO  13          2HG       PRO  13   5.954  -3.009   3.762
   78   2HG   PRO  13          1HG       PRO  13   4.226  -2.612   3.687
   79   1HD   PRO  13          2HD       PRO  13   6.408  -1.964   1.737
   80   2HD   PRO  13          1HD       PRO  13   4.747  -2.514   1.427
   81    H    GLU  14           H        GLU  14   6.922   0.468   1.789
   82    HA   GLU  14           HA       GLU  14   8.533   2.293   3.166
   83   1HB   GLU  14          2HB       GLU  14   9.480   2.687   0.810
   84   2HB   GLU  14          1HB       GLU  14   9.542   1.044   1.440
   85   1HG   GLU  14          2HG       GLU  14   7.513   0.495   0.174
   86   2HG   GLU  14          1HG       GLU  14   7.487   2.131  -0.476
   87    H    ILE  15           H        ILE  15   6.164   2.789   0.579
   88    HA   ILE  15           HA       ILE  15   6.407   5.666   0.715
   89    HB   ILE  15           HB       ILE  15   4.403   3.998  -0.820
   90   1HG1  ILE  15          2HG1      ILE  15   7.022   5.178  -1.780
   91   2HG1  ILE  15          1HG1      ILE  15   6.765   3.476  -1.412
   92   1HG2  ILE  15          1HG2      ILE  15   3.554   6.167  -0.747
   93   2HG2  ILE  15          2HG2      ILE  15   4.433   6.117  -2.275
   94   3HG2  ILE  15          3HG2      ILE  15   5.154   6.901  -0.869
   95   1HD1  ILE  15          1HD1      ILE  15   6.440   4.712  -3.861
   96   2HD1  ILE  15          2HD1      ILE  15   4.794   4.471  -3.275
   97   3HD1  ILE  15          3HD1      ILE  15   5.892   3.096  -3.413
   98    H    CYS  16           H        CYS  16   3.966   3.207   1.410
   99    HA   CYS  16           HA       CYS  16   2.258   5.164   2.715
  100   1HB   CYS  16          2HB       CYS  16   1.920   2.243   2.048
  101   2HB   CYS  16          1HB       CYS  16   0.737   3.159   2.981
  102   1HN   NH2  17          1H        CYS  16   4.318   5.282   4.200
  103   2HN   NH2  17          2H        CYS  16   4.220   4.334   5.640
  Start of MODEL   13
    1   1H    GLY   1          1HT       GLY   1  -4.501   9.018  -3.539
    2   2H    GLY   1          2HT       GLY   1  -4.979   9.327  -1.947
    3   3H    GLY   1          3HT       GLY   1  -5.468   7.899  -2.714
    4   1HA   GLY   1          1HA       GLY   1  -2.611   8.258  -2.650
    5   2HA   GLY   1          2HA       GLY   1  -3.352   8.105  -1.061
    6    H    CYS   2           H        CYS   2  -1.612   6.257  -2.693
    7    HA   CYS   2           HA       CYS   2  -3.183   4.061  -3.554
    8   1HB   CYS   2          2HB       CYS   2  -0.631   4.699  -3.935
    9   2HB   CYS   2          1HB       CYS   2  -0.401   3.636  -2.560
   10    H    CYS   3           H        CYS   3  -1.885   5.031  -0.486
   11    HA   CYS   3           HA       CYS   3  -1.963   2.679   0.977
   12   1HB   CYS   3          2HB       CYS   3  -2.674   5.358   2.139
   13   2HB   CYS   3          1HB       CYS   3  -1.745   4.048   2.869
   14    H    SER   4           H        SER   4  -4.545   4.510  -0.290
   15    HA   SER   4           HA       SER   4  -6.582   4.010   1.584
   16   1HB   SER   4          2HB       SER   4  -6.644   5.575  -0.447
   17   2HB   SER   4          1HB       SER   4  -6.979   4.141  -1.411
   18    HG   SER   4           HG       SER   4  -8.727   3.854   0.312
   19    H    ASP   5           H        ASP   5  -5.122   2.155  -0.961
   20    HA   ASP   5           HA       ASP   5  -6.996  -0.058  -0.620
   21   1HB   ASP   5          2HB       ASP   5  -6.479   0.209  -2.896
   22   2HB   ASP   5          1HB       ASP   5  -4.781   0.535  -2.569
   23    HA   PRO   6           HA       PRO   6  -4.444  -1.770   2.574
   24   1HB   PRO   6          2HB       PRO   6  -5.485  -4.335   2.380
   25   2HB   PRO   6          1HB       PRO   6  -6.180  -3.026   3.339
   26   1HG   PRO   6          2HG       PRO   6  -6.948  -4.008   0.628
   27   2HG   PRO   6          1HG       PRO   6  -7.981  -3.440   1.953
   28   1HD   PRO   6          2HD       PRO   6  -7.435  -1.897  -0.179
   29   2HD   PRO   6          1HD       PRO   6  -7.617  -1.210   1.448
   30    H    ARG   7           H        ARG   7  -4.801  -3.300  -0.600
   31    HA   ARG   7           HA       ARG   7  -2.619  -5.077  -0.319
   32   1HB   ARG   7          2HB       ARG   7  -4.169  -5.560  -2.055
   33   2HB   ARG   7          1HB       ARG   7  -4.010  -3.949  -2.743
   34   1HG   ARG   7          2HG       ARG   7  -2.873  -5.630  -4.099
   35   2HG   ARG   7          1HG       ARG   7  -1.737  -4.448  -3.446
   36   1HD   ARG   7          2HD       ARG   7  -1.385  -6.147  -1.546
   37   2HD   ARG   7          1HD       ARG   7  -2.168  -7.303  -2.624
   38    HE   ARG   7           HE       ARG   7   0.510  -6.347  -2.787
   39   1HH1  ARG   7          1HH1      ARG   7  -2.169  -7.414  -4.789
   40   2HH1  ARG   7          2HH1      ARG   7  -1.155  -7.849  -6.122
   41   1HH2  ARG   7          1HH2      ARG   7   1.836  -6.895  -4.507
   42   2HH2  ARG   7          2HH2      ARG   7   1.142  -7.560  -5.965
   43    H    CYS   8           H        CYS   8  -2.862  -1.951  -2.012
   44    HA   CYS   8           HA       CYS   8  -0.132  -1.744  -2.651
   45   1HB   CYS   8          2HB       CYS   8  -2.031  -0.326  -3.573
   46   2HB   CYS   8          1HB       CYS   8  -1.942   0.613  -2.085
   47    H    ASN   9           H        ASN   9  -1.935  -0.859   0.226
   48    HA   ASN   9           HA       ASN   9   0.089   0.641   1.514
   49   1HB   ASN   9          2HB       ASN   9  -2.416   0.462   2.105
   50   2HB   ASN   9          1HB       ASN   9  -1.990  -1.032   2.928
   51   1HD2  ASN   9          1HD2      ASN   9  -1.507  -0.870   4.991
   52   2HD2  ASN   9          2HD2      ASN   9  -0.976   0.558   5.800
   53    H    TYR  10           H        TYR  10  -0.884  -2.748   1.797
   54    HA   TYR  10           HA       TYR  10   1.174  -3.465   3.636
   55   1HB   TYR  10          2HB       TYR  10  -0.981  -4.653   3.479
   56   2HB   TYR  10          1HB       TYR  10  -0.563  -5.197   1.860
   57    HD1  TYR  10           1HD      TYR  10  -0.137  -7.459   1.844
   58    HD2  TYR  10           2HD      TYR  10   1.273  -5.148   5.126
   59    HE1  TYR  10           1HE      TYR  10   0.922  -9.464   2.791
   60    HE2  TYR  10           2HE      TYR  10   2.339  -7.147   6.083
   61    HH   TYR  10           HH       TYR  10   3.222  -9.554   4.796
   62    H    ASP  11           H        ASP  11   0.957  -3.277   0.201
   63    HA   ASP  11           HA       ASP  11   3.234  -4.993  -0.308
   64   1HB   ASP  11          2HB       ASP  11   1.150  -4.656  -1.790
   65   2HB   ASP  11          1HB       ASP  11   1.891  -3.147  -2.278
   66    H    HIS  12           H        HIS  12   2.523  -1.543  -0.128
   67    HA   HIS  12           HA       HIS  12   5.396  -1.027  -0.578
   68   1HB   HIS  12          2HB       HIS  12   3.143   0.864  -1.288
   69   2HB   HIS  12          1HB       HIS  12   4.852   1.055  -1.666
   70    HD1  HIS  12           1HD      HIS  12   2.312   0.823  -3.689
   71    HD2  HIS  12           2HD      HIS  12   5.178  -2.067  -2.884
   72    HE1  HIS  12           1HE      HIS  12   2.285  -0.724  -5.666
   73    HE2  HIS  12           2HE      HIS  12   3.855  -2.589  -5.020
   74    HA   PRO  13           HA       PRO  13   4.059   0.560   3.672
   75   1HB   PRO  13          2HB       PRO  13   6.542  -0.807   4.494
   76   2HB   PRO  13          1HB       PRO  13   4.926  -0.898   5.202
   77   1HG   PRO  13          2HG       PRO  13   5.967  -2.951   3.831
   78   2HG   PRO  13          1HG       PRO  13   4.238  -2.560   3.749
   79   1HD   PRO  13          2HD       PRO  13   6.417  -1.943   1.785
   80   2HD   PRO  13          1HD       PRO  13   4.762  -2.516   1.486
   81    H    GLU  14           H        GLU  14   6.832   0.492   1.673
   82    HA   GLU  14           HA       GLU  14   8.571   2.279   2.940
   83   1HB   GLU  14          2HB       GLU  14   9.361   2.659   0.524
   84   2HB   GLU  14          1HB       GLU  14   9.418   1.008   1.136
   85   1HG   GLU  14          2HG       GLU  14   7.306   0.515   0.012
   86   2HG   GLU  14          1HG       GLU  14   7.242   2.165  -0.594
   87    H    ILE  15           H        ILE  15   6.046   2.822   0.512
   88    HA   ILE  15           HA       ILE  15   6.321   5.703   0.679
   89    HB   ILE  15           HB       ILE  15   4.232   4.091  -0.802
   90   1HG1  ILE  15          2HG1      ILE  15   6.841   5.211  -1.851
   91   2HG1  ILE  15          1HG1      ILE  15   6.545   3.512  -1.509
   92   1HG2  ILE  15          1HG2      ILE  15   3.991   6.126  -2.160
   93   2HG2  ILE  15          2HG2      ILE  15   5.156   6.945  -1.118
   94   3HG2  ILE  15          3HG2      ILE  15   3.609   6.412  -0.462
   95   1HD1  ILE  15          1HD1      ILE  15   5.425   3.198  -3.418
   96   2HD1  ILE  15          2HD1      ILE  15   6.252   4.668  -3.932
   97   3HD1  ILE  15          3HD1      ILE  15   4.602   4.753  -3.315
   98    H    CYS  16           H        CYS  16   3.909   3.227   1.397
   99    HA   CYS  16           HA       CYS  16   2.238   5.139   2.807
  100   1HB   CYS  16          2HB       CYS  16   1.898   2.222   2.117
  101   2HB   CYS  16          1HB       CYS  16   0.728   3.140   3.061
  102   1HN   NH2  17          1H        CYS  16   4.327   5.258   4.235
  103   2HN   NH2  17          2H        CYS  16   4.291   4.272   5.654
  Start of MODEL   14
    1   1H    GLY   1          1HT       GLY   1  -5.513   6.635  -3.796
    2   2H    GLY   1          2HT       GLY   1  -4.668   7.829  -4.648
    3   3H    GLY   1          3HT       GLY   1  -5.591   8.249  -3.294
    4   1HA   GLY   1          1HA       GLY   1  -2.924   7.753  -3.284
    5   2HA   GLY   1          2HA       GLY   1  -3.970   7.765  -1.870
    6    H    CYS   2           H        CYS   2  -1.547   6.130  -2.597
    7    HA   CYS   2           HA       CYS   2  -2.332   3.474  -3.122
    8   1HB   CYS   2          2HB       CYS   2  -0.043   4.206  -3.454
    9   2HB   CYS   2          1HB       CYS   2   0.126   4.571  -1.743
   10    H    CYS   3           H        CYS   3  -1.693   5.171  -0.079
   11    HA   CYS   3           HA       CYS   3  -1.961   3.045   1.685
   12   1HB   CYS   3          2HB       CYS   3  -2.869   5.821   2.375
   13   2HB   CYS   3          1HB       CYS   3  -2.009   4.655   3.378
   14    H    SER   4           H        SER   4  -4.372   4.762  -0.065
   15    HA   SER   4           HA       SER   4  -6.608   4.311   1.591
   16   1HB   SER   4          2HB       SER   4  -6.415   5.866  -0.436
   17   2HB   SER   4          1HB       SER   4  -6.677   4.434  -1.425
   18    HG   SER   4           HG       SER   4  -8.602   4.201   0.122
   19    H    ASP   5           H        ASP   5  -4.924   2.390  -0.777
   20    HA   ASP   5           HA       ASP   5  -6.894   0.236  -0.542
   21   1HB   ASP   5          2HB       ASP   5  -6.134   0.882  -2.816
   22   2HB   ASP   5          1HB       ASP   5  -4.486   0.457  -2.368
   23    HA   PRO   6           HA       PRO   6  -4.378  -1.580   2.643
   24   1HB   PRO   6          2HB       PRO   6  -5.558  -4.078   2.512
   25   2HB   PRO   6          1HB       PRO   6  -6.180  -2.711   3.441
   26   1HG   PRO   6          2HG       PRO   6  -7.004  -3.708   0.748
   27   2HG   PRO   6          1HG       PRO   6  -8.007  -3.080   2.069
   28   1HD   PRO   6          2HD       PRO   6  -7.403  -1.589  -0.085
   29   2HD   PRO   6          1HD       PRO   6  -7.547  -0.872   1.534
   30    H    ARG   7           H        ARG   7  -4.877  -3.229  -0.468
   31    HA   ARG   7           HA       ARG   7  -2.700  -5.034  -0.133
   32   1HB   ARG   7          2HB       ARG   7  -4.093  -4.096  -2.650
   33   2HB   ARG   7          1HB       ARG   7  -2.863  -5.348  -2.615
   34   1HG   ARG   7          2HG       ARG   7  -4.883  -6.509  -2.685
   35   2HG   ARG   7          1HG       ARG   7  -4.402  -6.576  -0.989
   36   1HD   ARG   7          2HD       ARG   7  -6.794  -6.070  -1.266
   37   2HD   ARG   7          1HD       ARG   7  -5.923  -4.769  -0.453
   38    HE   ARG   7           HE       ARG   7  -6.321  -3.383  -2.247
   39   1HH1  ARG   7          1HH1      ARG   7  -7.250  -6.662  -3.102
   40   2HH1  ARG   7          2HH1      ARG   7  -7.975  -6.194  -4.602
   41   1HH2  ARG   7          1HH2      ARG   7  -7.256  -2.763  -4.191
   42   2HH2  ARG   7          2HH2      ARG   7  -7.981  -3.961  -5.232
   43    H    CYS   8           H        CYS   8  -3.125  -1.923  -1.742
   44    HA   CYS   8           HA       CYS   8  -0.501  -1.693  -2.763
   45   1HB   CYS   8          2HB       CYS   8  -2.552  -0.262  -3.336
   46   2HB   CYS   8          1HB       CYS   8  -2.198   0.641  -1.868
   47    H    ASN   9           H        ASN   9  -1.955  -0.856   0.331
   48    HA   ASN   9           HA       ASN   9   0.253   0.524   1.437
   49   1HB   ASN   9          2HB       ASN   9  -2.166   0.475   2.284
   50   2HB   ASN   9          1HB       ASN   9  -1.776  -1.084   2.993
   51   1HD2  ASN   9          1HD2      ASN   9   1.060   0.385   3.266
   52   2HD2  ASN   9          2HD2      ASN   9   0.871   1.180   4.790
   53    H    TYR  10           H        TYR  10  -0.802  -2.850   1.646
   54    HA   TYR  10           HA       TYR  10   1.316  -3.733   3.308
   55   1HB   TYR  10          2HB       TYR  10  -0.762  -5.075   1.625
   56   2HB   TYR  10          1HB       TYR  10   0.567  -6.032   2.275
   57    HD1  TYR  10           1HD      TYR  10  -0.533  -7.385   3.841
   58    HD2  TYR  10           2HD      TYR  10  -1.171  -3.179   3.921
   59    HE1  TYR  10           1HE      TYR  10  -1.731  -7.613   5.975
   60    HE2  TYR  10           2HE      TYR  10  -2.370  -3.396   6.056
   61    HH   TYR  10           HH       TYR  10  -3.660  -6.027   7.182
   62    H    ASP  11           H        ASP  11   1.024  -3.273  -0.101
   63    HA   ASP  11           HA       ASP  11   3.332  -4.890  -0.783
   64   1HB   ASP  11          2HB       ASP  11   1.386  -4.667  -2.303
   65   2HB   ASP  11          1HB       ASP  11   1.698  -2.948  -2.442
   66    H    HIS  12           H        HIS  12   2.488  -1.491  -0.431
   67    HA   HIS  12           HA       HIS  12   5.338  -0.802  -0.805
   68   1HB   HIS  12          2HB       HIS  12   3.006   1.064  -1.269
   69   2HB   HIS  12          1HB       HIS  12   4.686   1.302  -1.740
   70    HD1  HIS  12           1HD      HIS  12   1.936   1.091  -3.547
   71    HD2  HIS  12           2HD      HIS  12   5.050  -1.637  -3.263
   72    HE1  HIS  12           1HE      HIS  12   1.820  -0.285  -5.643
   73    HE2  HIS  12           2HE      HIS  12   3.482  -2.137  -5.243
   74    HA   PRO  13           HA       PRO  13   4.029   0.274   3.598
   75   1HB   PRO  13          2HB       PRO  13   6.614  -0.985   4.245
   76   2HB   PRO  13          1HB       PRO  13   5.018  -1.276   4.946
   77   1HG   PRO  13          2HG       PRO  13   6.198  -3.078   3.350
   78   2HG   PRO  13          1HG       PRO  13   4.443  -2.822   3.329
   79   1HD   PRO  13          2HD       PRO  13   6.527  -1.818   1.423
   80   2HD   PRO  13          1HD       PRO  13   4.919  -2.488   1.081
   81    H    GLU  14           H        GLU  14   6.915   0.557   1.688
   82    HA   GLU  14           HA       GLU  14   8.334   2.423   3.248
   83   1HB   GLU  14          2HB       GLU  14   9.510   2.922   1.089
   84   2HB   GLU  14          1HB       GLU  14   9.463   1.214   1.508
   85   1HG   GLU  14          2HG       GLU  14   7.521   0.953  -0.018
   86   2HG   GLU  14          1HG       GLU  14   7.736   2.632  -0.508
   87    H    ILE  15           H        ILE  15   6.007   2.801   0.618
   88    HA   ILE  15           HA       ILE  15   6.112   5.665   0.632
   89    HB   ILE  15           HB       ILE  15   4.045   3.830  -0.600
   90   1HG1  ILE  15          2HG1      ILE  15   6.277   3.373  -1.485
   91   2HG1  ILE  15          1HG1      ILE  15   5.284   4.167  -2.703
   92   1HG2  ILE  15          1HG2      ILE  15   4.503   6.420  -1.854
   93   2HG2  ILE  15          2HG2      ILE  15   3.867   6.540  -0.215
   94   3HG2  ILE  15          3HG2      ILE  15   2.992   5.614  -1.433
   95   1HD1  ILE  15          1HD1      ILE  15   6.427   6.332  -1.803
   96   2HD1  ILE  15          2HD1      ILE  15   7.274   5.275  -2.933
   97   3HD1  ILE  15          3HD1      ILE  15   7.642   5.200  -1.210
   98    H    CYS  16           H        CYS  16   3.812   3.212   1.750
   99    HA   CYS  16           HA       CYS  16   2.391   5.301   3.247
  100   1HB   CYS  16          2HB       CYS  16   1.542   2.528   2.415
  101   2HB   CYS  16          1HB       CYS  16   0.581   3.589   3.442
  102   1HN   NH2  17          1H        CYS  16   4.470   5.052   4.595
  103   2HN   NH2  17          2H        CYS  16   4.377   3.945   5.918
  Start of MODEL   15
    1   1H    GLY   1          1HT       GLY   1  -5.746   8.197  -3.240
    2   2H    GLY   1          2HT       GLY   1  -5.637   6.587  -3.753
    3   3H    GLY   1          3HT       GLY   1  -4.832   7.805  -4.609
    4   1HA   GLY   1          1HA       GLY   1  -3.069   7.767  -3.268
    5   2HA   GLY   1          2HA       GLY   1  -4.095   7.741  -1.839
    6    H    CYS   2           H        CYS   2  -1.643   6.176  -2.596
    7    HA   CYS   2           HA       CYS   2  -2.365   3.504  -3.142
    8   1HB   CYS   2          2HB       CYS   2  -0.098   4.301  -3.492
    9   2HB   CYS   2          1HB       CYS   2   0.081   4.649  -1.778
   10    H    CYS   3           H        CYS   3  -1.709   5.179  -0.085
   11    HA   CYS   3           HA       CYS   3  -1.931   3.020   1.650
   12   1HB   CYS   3          2HB       CYS   3  -2.845   5.778   2.402
   13   2HB   CYS   3          1HB       CYS   3  -1.954   4.602   3.367
   14    H    SER   4           H        SER   4  -4.377   4.724  -0.052
   15    HA   SER   4           HA       SER   4  -6.584   4.245   1.638
   16   1HB   SER   4          2HB       SER   4  -6.445   5.836  -0.360
   17   2HB   SER   4          1HB       SER   4  -6.690   4.421  -1.375
   18    HG   SER   4           HG       SER   4  -8.597   4.130   0.197
   19    H    ASP   5           H        ASP   5  -4.939   2.380  -0.803
   20    HA   ASP   5           HA       ASP   5  -6.889   0.211  -0.596
   21   1HB   ASP   5          2HB       ASP   5  -6.156   0.826  -2.852
   22   2HB   ASP   5          1HB       ASP   5  -4.478   0.544  -2.401
   23    HA   PRO   6           HA       PRO   6  -4.443  -1.669   2.592
   24   1HB   PRO   6          2HB       PRO   6  -5.554  -4.191   2.358
   25   2HB   PRO   6          1HB       PRO   6  -6.253  -2.862   3.290
   26   1HG   PRO   6          2HG       PRO   6  -6.930  -3.813   0.539
   27   2HG   PRO   6          1HG       PRO   6  -8.008  -3.253   1.831
   28   1HD   PRO   6          2HD       PRO   6  -7.362  -1.682  -0.252
   29   2HD   PRO   6          1HD       PRO   6  -7.593  -1.019   1.379
   30    H    ARG   7           H        ARG   7  -4.826  -3.287  -0.556
   31    HA   ARG   7           HA       ARG   7  -2.586  -5.005  -0.204
   32   1HB   ARG   7          2HB       ARG   7  -4.151  -5.696  -1.847
   33   2HB   ARG   7          1HB       ARG   7  -4.136  -4.126  -2.637
   34   1HG   ARG   7          2HG       ARG   7  -2.957  -5.816  -3.948
   35   2HG   ARG   7          1HG       ARG   7  -1.877  -4.518  -3.436
   36   1HD   ARG   7          2HD       ARG   7  -1.282  -6.048  -1.467
   37   2HD   ARG   7          1HD       ARG   7  -2.063  -7.330  -2.392
   38    HE   ARG   7           HE       ARG   7   0.523  -6.204  -2.848
   39   1HH1  ARG   7          1HH1      ARG   7  -2.195  -7.712  -4.475
   40   2HH1  ARG   7          2HH1      ARG   7  -1.258  -8.201  -5.845
   41   1HH2  ARG   7          1HH2      ARG   7   1.752  -6.816  -4.629
   42   2HH2  ARG   7          2HH2      ARG   7   1.003  -7.696  -5.936
   43    H    CYS   8           H        CYS   8  -3.076  -1.901  -1.828
   44    HA   CYS   8           HA       CYS   8  -0.436  -1.582  -2.771
   45   1HB   CYS   8          2HB       CYS   8  -2.543  -0.206  -3.346
   46   2HB   CYS   8          1HB       CYS   8  -2.182   0.716  -1.891
   47    H    ASN   9           H        ASN   9  -1.976  -0.814   0.301
   48    HA   ASN   9           HA       ASN   9   0.175   0.614   1.464
   49   1HB   ASN   9          2HB       ASN   9  -2.273   0.474   2.252
   50   2HB   ASN   9          1HB       ASN   9  -1.826  -1.058   2.982
   51   1HD2  ASN   9          1HD2      ASN   9   0.944   0.487   3.304
   52   2HD2  ASN   9          2HD2      ASN   9   0.698   1.302   4.809
   53    H    TYR  10           H        TYR  10  -0.840  -2.774   1.721
   54    HA   TYR  10           HA       TYR  10   1.298  -3.599   3.392
   55   1HB   TYR  10          2HB       TYR  10  -0.857  -4.789   3.227
   56   2HB   TYR  10          1HB       TYR  10  -0.476  -5.241   1.570
   57    HD1  TYR  10           1HD      TYR  10  -0.032  -7.493   1.417
   58    HD2  TYR  10           2HD      TYR  10   1.442  -5.351   4.785
   59    HE1  TYR  10           1HE      TYR  10   1.072  -9.535   2.228
   60    HE2  TYR  10           2HE      TYR  10   2.551  -7.387   5.604
   61    HH   TYR  10           HH       TYR  10   3.438  -9.677   4.228
   62    H    ASP  11           H        ASP  11   0.965  -3.255  -0.028
   63    HA   ASP  11           HA       ASP  11   3.266  -4.891  -0.681
   64   1HB   ASP  11          2HB       ASP  11   1.150  -4.583  -2.093
   65   2HB   ASP  11          1HB       ASP  11   1.769  -2.995  -2.496
   66    H    HIS  12           H        HIS  12   2.462  -1.520  -0.251
   67    HA   HIS  12           HA       HIS  12   5.277  -0.812  -0.796
   68   1HB   HIS  12          2HB       HIS  12   2.880   0.996  -1.177
   69   2HB   HIS  12          1HB       HIS  12   4.545   1.335  -1.635
   70    HD1  HIS  12           1HD      HIS  12   1.942   1.189  -3.541
   71    HD2  HIS  12           2HD      HIS  12   4.924  -1.672  -3.159
   72    HE1  HIS  12           1HE      HIS  12   1.874  -0.145  -5.669
   73    HE2  HIS  12           2HE      HIS  12   3.511  -2.024  -5.276
   74    HA   PRO  13           HA       PRO  13   4.090   0.226   3.661
   75   1HB   PRO  13          2HB       PRO  13   6.694  -1.043   4.214
   76   2HB   PRO  13          1HB       PRO  13   5.126  -1.323   4.977
   77   1HG   PRO  13          2HG       PRO  13   6.223  -3.135   3.339
   78   2HG   PRO  13          1HG       PRO  13   4.472  -2.856   3.376
   79   1HD   PRO  13          2HD       PRO  13   6.503  -1.880   1.401
   80   2HD   PRO  13          1HD       PRO  13   4.873  -2.525   1.114
   81    H    GLU  14           H        GLU  14   6.950   0.491   1.706
   82    HA   GLU  14           HA       GLU  14   8.405   2.359   3.221
   83   1HB   GLU  14          2HB       GLU  14   9.454   2.883   0.952
   84   2HB   GLU  14          1HB       GLU  14   9.559   1.216   1.506
   85   1HG   GLU  14          2HG       GLU  14   7.671   0.615   0.085
   86   2HG   GLU  14          1HG       GLU  14   7.545   2.286  -0.461
   87    H    ILE  15           H        ILE  15   6.084   2.771   0.578
   88    HA   ILE  15           HA       ILE  15   6.208   5.628   0.620
   89    HB   ILE  15           HB       ILE  15   4.114   3.838  -0.626
   90   1HG1  ILE  15          2HG1      ILE  15   6.586   5.058  -1.875
   91   2HG1  ILE  15          1HG1      ILE  15   6.421   3.366  -1.421
   92   1HG2  ILE  15          1HG2      ILE  15   3.861   6.468  -0.225
   93   2HG2  ILE  15          2HG2      ILE  15   3.221   5.652  -1.651
   94   3HG2  ILE  15          3HG2      ILE  15   4.764   6.500  -1.739
   95   1HD1  ILE  15          1HD1      ILE  15   5.077   2.883  -3.185
   96   2HD1  ILE  15          2HD1      ILE  15   6.009   4.207  -3.886
   97   3HD1  ILE  15          3HD1      ILE  15   4.390   4.507  -3.253
   98    H    CYS  16           H        CYS  16   3.841   3.211   1.691
   99    HA   CYS  16           HA       CYS  16   2.429   5.311   3.172
  100   1HB   CYS  16          2HB       CYS  16   1.597   2.532   2.347
  101   2HB   CYS  16          1HB       CYS  16   0.633   3.572   3.393
  102   1HN   NH2  17          1H        CYS  16   4.543   5.038   4.507
  103   2HN   NH2  17          2H        CYS  16   4.424   3.967   5.859
  Start of MODEL   16
    1   1H    GLY   1          1HT       GLY   1  -5.243   7.373  -4.647
    2   2H    GLY   1          2HT       GLY   1  -6.121   7.657  -3.229
    3   3H    GLY   1          3HT       GLY   1  -5.877   6.071  -3.769
    4   1HA   GLY   1          1HA       GLY   1  -3.402   7.444  -3.426
    5   2HA   GLY   1          2HA       GLY   1  -4.345   7.410  -1.941
    6    H    CYS   2           H        CYS   2  -1.837   5.980  -2.753
    7    HA   CYS   2           HA       CYS   2  -2.401   3.249  -3.179
    8   1HB   CYS   2          2HB       CYS   2  -0.204   4.197  -3.635
    9   2HB   CYS   2          1HB       CYS   2   0.015   4.575  -1.932
   10    H    CYS   3           H        CYS   3  -1.589   5.002  -0.192
   11    HA   CYS   3           HA       CYS   3  -1.738   2.855   1.577
   12   1HB   CYS   3          2HB       CYS   3  -2.528   5.630   2.389
   13   2HB   CYS   3          1HB       CYS   3  -1.551   4.449   3.261
   14    H    SER   4           H        SER   4  -4.241   4.685   0.069
   15    HA   SER   4           HA       SER   4  -6.344   4.274   1.891
   16   1HB   SER   4          2HB       SER   4  -6.298   5.869  -0.088
   17   2HB   SER   4          1HB       SER   4  -6.612   4.474  -1.113
   18    HG   SER   4           HG       SER   4  -8.429   4.237   0.635
   19    H    ASP   5           H        ASP   5  -4.997   2.363  -0.709
   20    HA   ASP   5           HA       ASP   5  -6.991   0.261  -0.301
   21   1HB   ASP   5          2HB       ASP   5  -6.668   0.550  -2.598
   22   2HB   ASP   5          1HB       ASP   5  -4.936   0.812  -2.423
   23    HA   PRO   6           HA       PRO   6  -4.299  -1.733   2.601
   24   1HB   PRO   6          2HB       PRO   6  -5.501  -4.223   2.406
   25   2HB   PRO   6          1HB       PRO   6  -6.040  -2.914   3.462
   26   1HG   PRO   6          2HG       PRO   6  -7.076  -3.744   0.789
   27   2HG   PRO   6          1HG       PRO   6  -7.967  -3.174   2.213
   28   1HD   PRO   6          2HD       PRO   6  -7.501  -1.580   0.100
   29   2HD   PRO   6          1HD       PRO   6  -7.516  -0.949   1.758
   30    H    ARG   7           H        ARG   7  -4.992  -3.105  -0.586
   31    HA   ARG   7           HA       ARG   7  -2.917  -5.034  -0.561
   32   1HB   ARG   7          2HB       ARG   7  -4.770  -5.164  -2.148
   33   2HB   ARG   7          1HB       ARG   7  -4.272  -3.648  -2.884
   34   1HG   ARG   7          2HG       ARG   7  -3.568  -5.426  -4.297
   35   2HG   ARG   7          1HG       ARG   7  -2.133  -4.742  -3.533
   36   1HD   ARG   7          2HD       ARG   7  -2.283  -6.575  -1.826
   37   2HD   ARG   7          1HD       ARG   7  -3.555  -7.299  -2.812
   38    HE   ARG   7           HE       ARG   7  -1.944  -8.090  -4.216
   39   1HH1  ARG   7          1HH1      ARG   7  -0.549  -5.511  -2.300
   40   2HH1  ARG   7          2HH1      ARG   7   1.035  -5.680  -3.006
   41   1HH2  ARG   7          1HH2      ARG   7   0.180  -8.294  -5.128
   42   2HH2  ARG   7          2HH2      ARG   7   1.440  -7.229  -4.580
   43    H    CYS   8           H        CYS   8  -3.127  -1.825  -2.054
   44    HA   CYS   8           HA       CYS   8  -0.438  -1.690  -2.909
   45   1HB   CYS   8          2HB       CYS   8  -2.426  -0.247  -3.644
   46   2HB   CYS   8          1HB       CYS   8  -2.150   0.690  -2.181
   47    H    ASN   9           H        ASN   9  -2.075  -0.711   0.057
   48    HA   ASN   9           HA       ASN   9   0.038   0.691   1.277
   49   1HB   ASN   9          2HB       ASN   9  -2.409   0.578   2.011
   50   2HB   ASN   9          1HB       ASN   9  -2.016  -0.977   2.736
   51   1HD2  ASN   9          1HD2      ASN   9  -1.541  -0.905   4.801
   52   2HD2  ASN   9          2HD2      ASN   9  -0.861   0.439   5.643
   53    H    TYR  10           H        TYR  10  -0.947  -2.703   1.501
   54    HA   TYR  10           HA       TYR  10   1.140  -3.495   3.263
   55   1HB   TYR  10          2HB       TYR  10  -1.036  -4.689   2.988
   56   2HB   TYR  10          1HB       TYR  10  -0.508  -5.212   1.394
   57    HD1  TYR  10           1HD      TYR  10  -0.071  -7.476   1.424
   58    HD2  TYR  10           2HD      TYR  10   1.187  -5.113   4.731
   59    HE1  TYR  10           1HE      TYR  10   0.988  -9.455   2.427
   60    HE2  TYR  10           2HE      TYR  10   2.253  -7.086   5.741
   61    HH   TYR  10           HH       TYR  10   3.225  -9.469   4.543
   62    H    ASP  11           H        ASP  11   0.906  -3.093  -0.154
   63    HA   ASP  11           HA       ASP  11   3.205  -4.743  -0.782
   64   1HB   ASP  11          2HB       ASP  11   1.134  -4.266  -2.255
   65   2HB   ASP  11          1HB       ASP  11   1.895  -2.726  -2.598
   66    H    HIS  12           H        HIS  12   2.460  -1.355  -0.291
   67    HA   HIS  12           HA       HIS  12   5.314  -0.722  -0.693
   68   1HB   HIS  12          2HB       HIS  12   3.000   1.162  -1.186
   69   2HB   HIS  12          1HB       HIS  12   4.693   1.422  -1.598
   70    HD1  HIS  12           1HD      HIS  12   2.029   1.241  -3.517
   71    HD2  HIS  12           2HD      HIS  12   5.097  -1.525  -3.126
   72    HE1  HIS  12           1HE      HIS  12   1.996  -0.109  -5.635
   73    HE2  HIS  12           2HE      HIS  12   3.684  -1.938  -5.228
   74    HA   PRO  13           HA       PRO  13   3.851   0.431   3.682
   75   1HB   PRO  13          2HB       PRO  13   5.897  -0.849   4.974
   76   2HB   PRO  13          1HB       PRO  13   4.325  -1.590   4.652
   77   1HG   PRO  13          2HG       PRO  13   6.901  -1.878   3.158
   78   2HG   PRO  13          1HG       PRO  13   5.705  -3.118   3.582
   79   1HD   PRO  13          2HD       PRO  13   5.842  -2.056   1.113
   80   2HD   PRO  13          1HD       PRO  13   4.298  -2.537   1.844
   81    H    GLU  14           H        GLU  14   6.852   0.386   1.942
   82    HA   GLU  14           HA       GLU  14   8.392   2.107   3.538
   83   1HB   GLU  14          2HB       GLU  14   9.583   0.929   1.918
   84   2HB   GLU  14          1HB       GLU  14   8.415   1.284   0.657
   85   1HG   GLU  14          2HG       GLU  14   9.182   3.616   0.629
   86   2HG   GLU  14          1HG       GLU  14  10.391   3.216   1.846
   87    H    ILE  15           H        ILE  15   6.413   2.769   0.667
   88    HA   ILE  15           HA       ILE  15   6.757   5.589   0.800
   89    HB   ILE  15           HB       ILE  15   4.521   4.138  -0.617
   90   1HG1  ILE  15          2HG1      ILE  15   7.302   4.734  -1.661
   91   2HG1  ILE  15          1HG1      ILE  15   6.733   3.139  -1.182
   92   1HG2  ILE  15          1HG2      ILE  15   4.789   6.081  -2.192
   93   2HG2  ILE  15          2HG2      ILE  15   5.875   6.798  -1.001
   94   3HG2  ILE  15          3HG2      ILE  15   4.189   6.494  -0.586
   95   1HD1  ILE  15          1HD1      ILE  15   6.148   2.859  -3.302
   96   2HD1  ILE  15          2HD1      ILE  15   6.368   4.571  -3.666
   97   3HD1  ILE  15          3HD1      ILE  15   4.839   4.001  -2.998
   98    H    CYS  16           H        CYS  16   4.153   3.372   1.720
   99    HA   CYS  16           HA       CYS  16   2.625   5.544   2.901
  100   1HB   CYS  16          2HB       CYS  16   2.087   2.602   2.535
  101   2HB   CYS  16          1HB       CYS  16   1.011   3.661   3.442
  102   1HN   NH2  17          1H        CYS  16   5.041   5.277   4.148
  103   2HN   NH2  17          2H        CYS  16   4.825   4.639   5.739
  Start of MODEL   17
    1   1H    GLY   1          1HT       GLY   1  -5.269   7.976  -2.597
    2   2H    GLY   1          2HT       GLY   1  -4.273   9.055  -3.435
    3   3H    GLY   1          3HT       GLY   1  -4.706   9.375  -1.831
    4   1HA   GLY   1          1HA       GLY   1  -2.401   8.211  -2.586
    5   2HA   GLY   1          2HA       GLY   1  -3.113   8.082  -0.983
    6    H    CYS   2           H        CYS   2  -1.494   6.167  -2.680
    7    HA   CYS   2           HA       CYS   2  -3.189   4.055  -3.509
    8   1HB   CYS   2          2HB       CYS   2  -0.624   4.570  -3.962
    9   2HB   CYS   2          1HB       CYS   2  -0.401   3.490  -2.597
   10    H    CYS   3           H        CYS   3  -1.875   4.980  -0.447
   11    HA   CYS   3           HA       CYS   3  -1.948   2.617   0.999
   12   1HB   CYS   3          2HB       CYS   3  -2.727   5.261   2.192
   13   2HB   CYS   3          1HB       CYS   3  -1.758   3.967   2.898
   14    H    SER   4           H        SER   4  -4.534   4.494  -0.235
   15    HA   SER   4           HA       SER   4  -6.596   3.915   1.577
   16   1HB   SER   4          2HB       SER   4  -6.653   5.539  -0.395
   17   2HB   SER   4          1HB       SER   4  -6.920   4.133  -1.422
   18    HG   SER   4           HG       SER   4  -8.714   3.728   0.214
   19    H    ASP   5           H        ASP   5  -5.096   2.147  -0.997
   20    HA   ASP   5           HA       ASP   5  -6.937  -0.112  -0.793
   21   1HB   ASP   5          2HB       ASP   5  -6.162   0.517  -3.032
   22   2HB   ASP   5          1HB       ASP   5  -4.487   0.392  -2.514
   23    HA   PRO   6           HA       PRO   6  -4.423  -1.627   2.587
   24   1HB   PRO   6          2HB       PRO   6  -5.555  -4.189   2.458
   25   2HB   PRO   6          1HB       PRO   6  -6.112  -2.853   3.465
   26   1HG   PRO   6          2HG       PRO   6  -7.161  -3.830   0.869
   27   2HG   PRO   6          1HG       PRO   6  -8.022  -3.078   2.222
   28   1HD   PRO   6          2HD       PRO   6  -7.472  -1.759  -0.077
   29   2HD   PRO   6          1HD       PRO   6  -7.541  -0.939   1.494
   30    H    ARG   7           H        ARG   7  -4.870  -3.315  -0.456
   31    HA   ARG   7           HA       ARG   7  -2.725  -5.127  -0.182
   32   1HB   ARG   7          2HB       ARG   7  -4.235  -5.740  -1.818
   33   2HB   ARG   7          1HB       ARG   7  -4.413  -4.100  -2.415
   34   1HG   ARG   7          2HG       ARG   7  -2.034  -4.349  -3.308
   35   2HG   ARG   7          1HG       ARG   7  -2.240  -6.076  -2.993
   36   1HD   ARG   7          2HD       ARG   7  -2.829  -5.252  -5.329
   37   2HD   ARG   7          1HD       ARG   7  -4.031  -6.247  -4.506
   38    HE   ARG   7           HE       ARG   7  -4.522  -3.521  -3.946
   39   1HH1  ARG   7          1HH1      ARG   7  -4.725  -5.789  -6.615
   40   2HH1  ARG   7          2HH1      ARG   7  -6.056  -4.975  -7.364
   41   1HH2  ARG   7          1HH2      ARG   7  -6.284  -2.481  -4.898
   42   2HH2  ARG   7          2HH2      ARG   7  -6.944  -3.086  -6.386
   43    H    CYS   8           H        CYS   8  -2.989  -2.002  -1.884
   44    HA   CYS   8           HA       CYS   8  -0.275  -1.869  -2.660
   45   1HB   CYS   8          2HB       CYS   8  -2.173  -0.436  -3.562
   46   2HB   CYS   8          1HB       CYS   8  -2.025   0.536  -2.101
   47    H    ASN   9           H        ASN   9  -1.968  -0.877   0.252
   48    HA   ASN   9           HA       ASN   9   0.114   0.610   1.451
   49   1HB   ASN   9          2HB       ASN   9  -2.336   0.528   2.158
   50   2HB   ASN   9          1HB       ASN   9  -1.973  -1.022   2.907
   51   1HD2  ASN   9          1HD2      ASN   9  -1.234  -1.027   4.919
   52   2HD2  ASN   9          2HD2      ASN   9  -0.679   0.359   5.784
   53    H    TYR  10           H        TYR  10  -0.885  -2.763   1.788
   54    HA   TYR  10           HA       TYR  10   1.184  -3.522   3.587
   55   1HB   TYR  10          2HB       TYR  10  -0.974  -4.709   3.399
   56   2HB   TYR  10          1HB       TYR  10  -0.545  -5.223   1.773
   57    HD1  TYR  10           1HD      TYR  10   1.243  -5.229   5.061
   58    HD2  TYR  10           2HD      TYR  10  -0.086  -7.481   1.704
   59    HE1  TYR  10           1HE      TYR  10   2.311  -7.237   5.993
   60    HE2  TYR  10           2HE      TYR  10   0.978  -9.496   2.630
   61    HH   TYR  10           HH       TYR  10   3.217  -9.655   4.584
   62    H    ASP  11           H        ASP  11   0.956  -3.252   0.167
   63    HA   ASP  11           HA       ASP  11   3.222  -4.954  -0.418
   64   1HB   ASP  11          2HB       ASP  11   1.280  -4.734  -1.952
   65   2HB   ASP  11          1HB       ASP  11   1.664  -3.040  -2.183
   66    H    HIS  12           H        HIS  12   2.498  -1.493  -0.273
   67    HA   HIS  12           HA       HIS  12   5.386  -0.968  -0.625
   68   1HB   HIS  12          2HB       HIS  12   3.166   0.952  -1.330
   69   2HB   HIS  12          1HB       HIS  12   4.871   1.082  -1.745
   70    HD1  HIS  12           1HD      HIS  12   2.219   0.870  -3.664
   71    HD2  HIS  12           2HD      HIS  12   5.148  -1.993  -3.009
   72    HE1  HIS  12           1HE      HIS  12   2.097  -0.677  -5.632
   73    HE2  HIS  12           2HE      HIS  12   3.639  -2.571  -5.018
   74    HA   PRO  13           HA       PRO  13   3.959   0.621   3.620
   75   1HB   PRO  13          2HB       PRO  13   6.414  -0.794   4.468
   76   2HB   PRO  13          1HB       PRO  13   4.798  -0.826   5.182
   77   1HG   PRO  13          2HG       PRO  13   5.746  -2.930   3.845
   78   2HG   PRO  13          1HG       PRO  13   4.042  -2.455   3.718
   79   1HD   PRO  13          2HD       PRO  13   6.293  -1.951   1.801
   80   2HD   PRO  13          1HD       PRO  13   4.625  -2.467   1.467
   81    H    GLU  14           H        GLU  14   6.778   0.551   1.674
   82    HA   GLU  14           HA       GLU  14   8.479   2.317   3.031
   83   1HB   GLU  14          2HB       GLU  14   9.402   2.709   0.683
   84   2HB   GLU  14          1HB       GLU  14   9.390   1.043   1.251
   85   1HG   GLU  14          2HG       GLU  14   7.322   0.640  -0.004
   86   2HG   GLU  14          1HG       GLU  14   7.366   2.300  -0.588
   87    H    ILE  15           H        ILE  15   6.067   2.891   0.493
   88    HA   ILE  15           HA       ILE  15   6.345   5.765   0.688
   89    HB   ILE  15           HB       ILE  15   4.251   4.190  -0.825
   90   1HG1  ILE  15          2HG1      ILE  15   6.911   5.236  -1.822
   91   2HG1  ILE  15          1HG1      ILE  15   6.534   3.544  -1.519
   92   1HG2  ILE  15          1HG2      ILE  15   5.245   7.020  -1.152
   93   2HG2  ILE  15          2HG2      ILE  15   3.687   6.534  -0.483
   94   3HG2  ILE  15          3HG2      ILE  15   4.054   6.223  -2.180
   95   1HD1  ILE  15          1HD1      ILE  15   6.221   3.651  -3.772
   96   2HD1  ILE  15          2HD1      ILE  15   5.648   5.318  -3.727
   97   3HD1  ILE  15          3HD1      ILE  15   4.587   4.006  -3.213
   98    H    CYS  16           H        CYS  16   3.960   3.277   1.420
   99    HA   CYS  16           HA       CYS  16   2.258   5.194   2.795
  100   1HB   CYS  16          2HB       CYS  16   1.944   2.275   2.106
  101   2HB   CYS  16          1HB       CYS  16   0.774   3.167   3.075
  102   1HN   NH2  17          1H        CYS  16   4.332   5.343   4.233
  103   2HN   NH2  17          2H        CYS  16   4.301   4.361   5.654
  Start of MODEL   18
    1   1H    GLY   1          1HT       GLY   1  -4.941   9.364  -1.823
    2   2H    GLY   1          2HT       GLY   1  -5.501   7.967  -2.595
    3   3H    GLY   1          3HT       GLY   1  -4.591   9.103  -3.457
    4   1HA   GLY   1          1HA       GLY   1  -2.658   8.262  -2.788
    5   2HA   GLY   1          2HA       GLY   1  -3.224   8.159  -1.126
    6    H    CYS   2           H        CYS   2  -1.712   6.256  -2.892
    7    HA   CYS   2           HA       CYS   2  -3.346   4.065  -3.575
    8   1HB   CYS   2          2HB       CYS   2  -0.831   4.639  -4.122
    9   2HB   CYS   2          1HB       CYS   2  -0.512   3.663  -2.700
   10    H    CYS   3           H        CYS   3  -1.944   5.089  -0.571
   11    HA   CYS   3           HA       CYS   3  -1.970   2.755   0.918
   12   1HB   CYS   3          2HB       CYS   3  -2.656   5.464   2.032
   13   2HB   CYS   3          1HB       CYS   3  -1.766   4.153   2.807
   14    H    SER   4           H        SER   4  -4.600   4.563  -0.290
   15    HA   SER   4           HA       SER   4  -6.582   4.040   1.641
   16   1HB   SER   4          2HB       SER   4  -6.775   5.644  -0.302
   17   2HB   SER   4          1HB       SER   4  -6.981   4.251  -1.356
   18    HG   SER   4           HG       SER   4  -8.732   3.750   0.337
   19    H    ASP   5           H        ASP   5  -5.207   2.248  -0.986
   20    HA   ASP   5           HA       ASP   5  -7.029   0.002  -0.602
   21   1HB   ASP   5          2HB       ASP   5  -6.512   0.533  -2.906
   22   2HB   ASP   5          1HB       ASP   5  -4.784   0.502  -2.575
   23    HA   PRO   6           HA       PRO   6  -4.335  -1.587   2.558
   24   1HB   PRO   6          2HB       PRO   6  -5.438  -4.137   2.503
   25   2HB   PRO   6          1HB       PRO   6  -6.024  -2.781   3.472
   26   1HG   PRO   6          2HG       PRO   6  -7.016  -3.815   0.855
   27   2HG   PRO   6          1HG       PRO   6  -7.930  -3.161   2.224
   28   1HD   PRO   6          2HD       PRO   6  -7.491  -1.715   0.006
   29   2HD   PRO   6          1HD       PRO   6  -7.517  -0.962   1.615
   30    H    ARG   7           H        ARG   7  -4.833  -3.255  -0.518
   31    HA   ARG   7           HA       ARG   7  -2.712  -5.105  -0.253
   32   1HB   ARG   7          2HB       ARG   7  -3.703  -3.933  -2.851
   33   2HB   ARG   7          1HB       ARG   7  -2.947  -5.498  -2.601
   34   1HG   ARG   7          2HG       ARG   7  -4.861  -6.467  -1.880
   35   2HG   ARG   7          1HG       ARG   7  -5.465  -4.982  -1.138
   36   1HD   ARG   7          2HD       ARG   7  -6.824  -5.579  -3.060
   37   2HD   ARG   7          1HD       ARG   7  -5.953  -4.077  -3.364
   38    HE   ARG   7           HE       ARG   7  -4.569  -6.391  -4.341
   39   1HH1  ARG   7          1HH1      ARG   7  -7.006  -3.982  -5.058
   40   2HH1  ARG   7          2HH1      ARG   7  -6.945  -4.227  -6.775
   41   1HH2  ARG   7          1HH2      ARG   7  -4.462  -6.729  -6.613
   42   2HH2  ARG   7          2HH2      ARG   7  -5.486  -5.806  -7.666
   43    H    CYS   8           H        CYS   8  -2.971  -1.941  -1.827
   44    HA   CYS   8           HA       CYS   8  -0.267  -1.772  -2.652
   45   1HB   CYS   8          2HB       CYS   8  -2.225  -0.302  -3.413
   46   2HB   CYS   8          1HB       CYS   8  -1.988   0.608  -1.927
   47    H    ASN   9           H        ASN   9  -1.926  -0.933   0.336
   48    HA   ASN   9           HA       ASN   9   0.209   0.481   1.559
   49   1HB   ASN   9          2HB       ASN   9  -2.211   0.504   2.287
   50   2HB   ASN   9          1HB       ASN   9  -1.965  -1.105   2.949
   51   1HD2  ASN   9          1HD2      ASN   9   0.878   0.545   3.363
   52   2HD2  ASN   9          2HD2      ASN   9   0.615   1.143   4.963
   53    H    TYR  10           H        TYR  10  -0.851  -2.885   1.763
   54    HA   TYR  10           HA       TYR  10   1.212  -3.727   3.531
   55   1HB   TYR  10          2HB       TYR  10  -0.842  -5.119   1.844
   56   2HB   TYR  10          1HB       TYR  10   0.440  -6.056   2.609
   57    HD1  TYR  10           1HD      TYR  10  -1.316  -3.079   3.981
   58    HD2  TYR  10           2HD      TYR  10  -0.743  -7.288   4.214
   59    HE1  TYR  10           1HE      TYR  10  -2.606  -3.133   6.079
   60    HE2  TYR  10           2HE      TYR  10  -2.031  -7.352   6.310
   61    HH   TYR  10           HH       TYR  10  -3.225  -4.388   7.819
   62    H    ASP  11           H        ASP  11   1.014  -3.308   0.126
   63    HA   ASP  11           HA       ASP  11   3.280  -5.008  -0.493
   64   1HB   ASP  11          2HB       ASP  11   1.355  -4.726  -2.053
   65   2HB   ASP  11          1HB       ASP  11   1.775  -3.033  -2.228
   66    H    HIS  12           H        HIS  12   2.533  -1.562  -0.276
   67    HA   HIS  12           HA       HIS  12   5.409  -0.966  -0.601
   68   1HB   HIS  12          2HB       HIS  12   3.104   0.916  -1.160
   69   2HB   HIS  12          1HB       HIS  12   4.804   1.155  -1.563
   70    HD1  HIS  12           1HD      HIS  12   2.207   0.954  -3.526
   71    HD2  HIS  12           2HD      HIS  12   5.187  -1.874  -2.969
   72    HE1  HIS  12           1HE      HIS  12   2.138  -0.503  -5.566
   73    HE2  HIS  12           2HE      HIS  12   3.716  -2.387  -5.018
   74    HA   PRO  13           HA       PRO  13   4.270   0.147   3.757
   75   1HB   PRO  13          2HB       PRO  13   6.950  -0.873   4.344
   76   2HB   PRO  13          1HB       PRO  13   5.395  -1.364   5.017
   77   1HG   PRO  13          2HG       PRO  13   6.797  -2.948   3.350
   78   2HG   PRO  13          1HG       PRO  13   5.022  -2.926   3.365
   79   1HD   PRO  13          2HD       PRO  13   6.920  -1.581   1.471
   80   2HD   PRO  13          1HD       PRO  13   5.413  -2.458   1.122
   81    H    GLU  14           H        GLU  14   7.194   0.695   1.872
   82    HA   GLU  14           HA       GLU  14   8.232   2.736   3.565
   83   1HB   GLU  14          2HB       GLU  14   9.830   3.174   1.807
   84   2HB   GLU  14          1HB       GLU  14   9.645   1.440   1.996
   85   1HG   GLU  14          2HG       GLU  14   8.435   3.136  -0.179
   86   2HG   GLU  14          1HG       GLU  14   9.813   2.057  -0.344
   87    H    ILE  15           H        ILE  15   6.387   2.802   0.525
   88    HA   ILE  15           HA       ILE  15   6.252   5.652   0.428
   89    HB   ILE  15           HB       ILE  15   4.479   3.627  -0.955
   90   1HG1  ILE  15          2HG1      ILE  15   6.950   5.044  -1.978
   91   2HG1  ILE  15          1HG1      ILE  15   6.908   3.366  -1.447
   92   1HG2  ILE  15          1HG2      ILE  15   4.944   6.565  -1.409
   93   2HG2  ILE  15          2HG2      ILE  15   3.425   5.759  -1.013
   94   3HG2  ILE  15          3HG2      ILE  15   4.174   5.507  -2.591
   95   1HD1  ILE  15          1HD1      ILE  15   4.865   3.632  -3.349
   96   2HD1  ILE  15          2HD1      ILE  15   6.405   2.786  -3.519
   97   3HD1  ILE  15          3HD1      ILE  15   6.271   4.477  -4.001
   98    H    CYS  16           H        CYS  16   4.087   3.097   1.518
   99    HA   CYS  16           HA       CYS  16   2.261   5.128   2.592
  100   1HB   CYS  16          2HB       CYS  16   1.902   2.214   1.927
  101   2HB   CYS  16          1HB       CYS  16   0.741   3.094   2.917
  102   1HN   NH2  17          1H        CYS  16   4.594   4.934   3.933
  103   2HN   NH2  17          2H        CYS  16   4.359   4.168   5.464
  Start of MODEL   19
    1   1H    GLY   1          1HT       GLY   1  -4.771   7.712  -4.623
    2   2H    GLY   1          2HT       GLY   1  -5.724   8.050  -3.265
    3   3H    GLY   1          3HT       GLY   1  -5.585   6.459  -3.827
    4   1HA   GLY   1          1HA       GLY   1  -3.038   7.635  -3.246
    5   2HA   GLY   1          2HA       GLY   1  -4.099   7.578  -1.843
    6    H    CYS   2           H        CYS   2  -1.627   6.034  -2.553
    7    HA   CYS   2           HA       CYS   2  -2.352   3.366  -3.163
    8   1HB   CYS   2          2HB       CYS   2  -0.083   4.167  -3.500
    9   2HB   CYS   2          1HB       CYS   2   0.093   4.491  -1.781
   10    H    CYS   3           H        CYS   3  -1.630   4.973  -0.082
   11    HA   CYS   3           HA       CYS   3  -1.930   2.784   1.612
   12   1HB   CYS   3          2HB       CYS   3  -2.707   5.545   2.474
   13   2HB   CYS   3          1HB       CYS   3  -1.785   4.322   3.345
   14    H    SER   4           H        SER   4  -4.298   4.625  -0.046
   15    HA   SER   4           HA       SER   4  -6.521   4.294   1.646
   16   1HB   SER   4          2HB       SER   4  -6.314   5.812  -0.396
   17   2HB   SER   4          1HB       SER   4  -6.611   4.380  -1.374
   18    HG   SER   4           HG       SER   4  -8.534   4.226   0.217
   19    H    ASP   5           H        ASP   5  -4.988   2.280  -0.751
   20    HA   ASP   5           HA       ASP   5  -7.006   0.185  -0.374
   21   1HB   ASP   5          2HB       ASP   5  -6.613   0.448  -2.679
   22   2HB   ASP   5          1HB       ASP   5  -4.879   0.652  -2.453
   23    HA   PRO   6           HA       PRO   6  -4.356  -1.670   2.656
   24   1HB   PRO   6          2HB       PRO   6  -5.533  -4.178   2.523
   25   2HB   PRO   6          1HB       PRO   6  -6.102  -2.841   3.523
   26   1HG   PRO   6          2HG       PRO   6  -7.081  -3.771   0.863
   27   2HG   PRO   6          1HG       PRO   6  -8.003  -3.159   2.249
   28   1HD   PRO   6          2HD       PRO   6  -7.511  -1.637   0.089
   29   2HD   PRO   6          1HD       PRO   6  -7.561  -0.948   1.723
   30    H    ARG   7           H        ARG   7  -4.990  -3.197  -0.477
   31    HA   ARG   7           HA       ARG   7  -2.859  -5.059  -0.321
   32   1HB   ARG   7          2HB       ARG   7  -4.856  -5.152  -1.889
   33   2HB   ARG   7          1HB       ARG   7  -4.056  -3.917  -2.851
   34   1HG   ARG   7          2HG       ARG   7  -2.660  -6.481  -2.199
   35   2HG   ARG   7          1HG       ARG   7  -3.817  -6.392  -3.527
   36   1HD   ARG   7          2HD       ARG   7  -2.488  -5.006  -4.772
   37   2HD   ARG   7          1HD       ARG   7  -1.686  -4.326  -3.358
   38    HE   ARG   7           HE       ARG   7  -1.037  -7.074  -3.685
   39   1HH1  ARG   7          1HH1      ARG   7  -0.413  -3.925  -5.034
   40   2HH1  ARG   7          2HH1      ARG   7   1.253  -4.257  -5.409
   41   1HH2  ARG   7          1HH2      ARG   7   1.154  -7.561  -4.248
   42   2HH2  ARG   7          2HH2      ARG   7   2.129  -6.336  -4.990
   43    H    CYS   8           H        CYS   8  -3.169  -1.913  -1.937
   44    HA   CYS   8           HA       CYS   8  -0.506  -1.735  -2.856
   45   1HB   CYS   8          2HB       CYS   8  -2.516  -0.302  -3.541
   46   2HB   CYS   8          1HB       CYS   8  -2.230   0.622  -2.071
   47    H    ASN   9           H        ASN   9  -2.078  -0.775   0.142
   48    HA   ASN   9           HA       ASN   9   0.036   0.635   1.339
   49   1HB   ASN   9          2HB       ASN   9  -2.360   0.547   2.133
   50   2HB   ASN   9          1HB       ASN   9  -2.031  -1.067   2.748
   51   1HD2  ASN   9          1HD2      ASN   9  -1.553  -1.154   4.812
   52   2HD2  ASN   9          2HD2      ASN   9  -0.822   0.102   5.743
   53    H    TYR  10           H        TYR  10  -0.890  -2.776   1.508
   54    HA   TYR  10           HA       TYR  10   1.246  -3.553   3.223
   55   1HB   TYR  10          2HB       TYR  10  -0.830  -4.989   1.617
   56   2HB   TYR  10          1HB       TYR  10   0.529  -5.901   2.272
   57    HD1  TYR  10           1HD      TYR  10  -1.217  -3.025   3.858
   58    HD2  TYR  10           2HD      TYR  10  -0.526  -7.222   3.902
   59    HE1  TYR  10           1HE      TYR  10  -2.372  -3.185   6.020
   60    HE2  TYR  10           2HE      TYR  10  -1.683  -7.394   6.066
   61    HH   TYR  10           HH       TYR  10  -2.727  -6.301   7.690
   62    H    ASP  11           H        ASP  11   0.960  -3.090  -0.169
   63    HA   ASP  11           HA       ASP  11   3.244  -4.744  -0.864
   64   1HB   ASP  11          2HB       ASP  11   1.280  -4.367  -2.387
   65   2HB   ASP  11          1HB       ASP  11   1.771  -2.692  -2.537
   66    H    HIS  12           H        HIS  12   2.489  -1.354  -0.352
   67    HA   HIS  12           HA       HIS  12   5.350  -0.719  -0.722
   68   1HB   HIS  12          2HB       HIS  12   3.065   1.201  -1.192
   69   2HB   HIS  12          1HB       HIS  12   4.755   1.413  -1.634
   70    HD1  HIS  12           1HD      HIS  12   1.994   1.253  -3.452
   71    HD2  HIS  12           2HD      HIS  12   5.112  -1.477  -3.225
   72    HE1  HIS  12           1HE      HIS  12   1.881  -0.075  -5.577
   73    HE2  HIS  12           2HE      HIS  12   3.576  -1.909  -5.246
   74    HA   PRO  13           HA       PRO  13   3.938   0.385   3.668
   75   1HB   PRO  13          2HB       PRO  13   6.427  -1.033   4.375
   76   2HB   PRO  13          1HB       PRO  13   4.809  -1.206   5.058
   77   1HG   PRO  13          2HG       PRO  13   5.871  -3.105   3.499
   78   2HG   PRO  13          1HG       PRO  13   4.141  -2.717   3.441
   79   1HD   PRO  13          2HD       PRO  13   6.332  -1.902   1.564
   80   2HD   PRO  13          1HD       PRO  13   4.678  -2.442   1.199
   81    H    GLU  14           H        GLU  14   6.900   0.435   1.864
   82    HA   GLU  14           HA       GLU  14   8.405   2.240   3.406
   83   1HB   GLU  14          2HB       GLU  14   9.569   2.648   1.164
   84   2HB   GLU  14          1HB       GLU  14   9.554   0.991   1.758
   85   1HG   GLU  14          2HG       GLU  14   7.680   0.472   0.284
   86   2HG   GLU  14          1HG       GLU  14   7.681   2.133  -0.305
   87    H    ILE  15           H        ILE  15   6.197   2.718   0.687
   88    HA   ILE  15           HA       ILE  15   6.495   5.558   0.619
   89    HB   ILE  15           HB       ILE  15   4.305   3.839  -0.565
   90   1HG1  ILE  15          2HG1      ILE  15   6.502   3.177  -1.405
   91   2HG1  ILE  15          1HG1      ILE  15   5.589   4.002  -2.664
   92   1HG2  ILE  15          1HG2      ILE  15   3.343   5.706  -1.269
   93   2HG2  ILE  15          2HG2      ILE  15   4.840   6.218  -2.046
   94   3HG2  ILE  15          3HG2      ILE  15   4.530   6.643  -0.363
   95   1HD1  ILE  15          1HD1      ILE  15   7.765   4.833  -2.834
   96   2HD1  ILE  15          2HD1      ILE  15   7.926   5.014  -1.087
   97   3HD1  ILE  15          3HD1      ILE  15   6.866   6.096  -1.993
   98    H    CYS  16           H        CYS  16   4.010   3.330   1.809
   99    HA   CYS  16           HA       CYS  16   2.554   5.530   3.038
  100   1HB   CYS  16          2HB       CYS  16   1.983   2.576   2.806
  101   2HB   CYS  16          1HB       CYS  16   0.949   3.700   3.685
  102   1HN   NH2  17          1H        CYS  16   5.017   5.328   4.145
  103   2HN   NH2  17          2H        CYS  16   4.916   4.702   5.751
  Start of MODEL   20
    1   1H    GLY   1          1HT       GLY   1  -5.428   9.154  -2.134
    2   2H    GLY   1          2HT       GLY   1  -5.856   7.659  -2.800
    3   3H    GLY   1          3HT       GLY   1  -5.035   8.799  -3.742
    4   1HA   GLY   1          1HA       GLY   1  -3.039   8.217  -2.967
    5   2HA   GLY   1          2HA       GLY   1  -3.646   8.114  -1.319
    6    H    CYS   2           H        CYS   2  -1.904   6.295  -2.984
    7    HA   CYS   2           HA       CYS   2  -3.337   3.945  -3.617
    8   1HB   CYS   2          2HB       CYS   2  -0.855   4.752  -4.135
    9   2HB   CYS   2          1HB       CYS   2  -0.493   3.783  -2.722
   10    H    CYS   3           H        CYS   3  -1.886   5.141  -0.681
   11    HA   CYS   3           HA       CYS   3  -1.786   2.882   0.910
   12   1HB   CYS   3          2HB       CYS   3  -2.497   5.639   1.897
   13   2HB   CYS   3          1HB       CYS   3  -1.567   4.389   2.725
   14    H    SER   4           H        SER   4  -4.527   4.602  -0.212
   15    HA   SER   4           HA       SER   4  -6.368   4.064   1.855
   16   1HB   SER   4          2HB       SER   4  -6.632   5.650  -0.151
   17   2HB   SER   4          1HB       SER   4  -7.066   4.220  -1.080
   18    HG   SER   4           HG       SER   4  -8.625   3.919   0.811
   19    H    ASP   5           H        ASP   5  -5.131   2.246  -0.832
   20    HA   ASP   5           HA       ASP   5  -6.976   0.033  -0.386
   21   1HB   ASP   5          2HB       ASP   5  -6.579   0.377  -2.685
   22   2HB   ASP   5          1HB       ASP   5  -4.852   0.613  -2.441
   23    HA   PRO   6           HA       PRO   6  -4.261  -1.788   2.615
   24   1HB   PRO   6          2HB       PRO   6  -5.343  -4.330   2.434
   25   2HB   PRO   6          1HB       PRO   6  -5.977  -3.028   3.445
   26   1HG   PRO   6          2HG       PRO   6  -6.879  -3.952   0.752
   27   2HG   PRO   6          1HG       PRO   6  -7.846  -3.415   2.138
   28   1HD   PRO   6          2HD       PRO   6  -7.402  -1.818   0.026
   29   2HD   PRO   6          1HD       PRO   6  -7.488  -1.172   1.678
   30    H    ARG   7           H        ARG   7  -4.804  -3.212  -0.562
   31    HA   ARG   7           HA       ARG   7  -2.700  -5.087  -0.497
   32   1HB   ARG   7          2HB       ARG   7  -3.761  -3.675  -2.946
   33   2HB   ARG   7          1HB       ARG   7  -2.967  -5.242  -2.883
   34   1HG   ARG   7          2HG       ARG   7  -4.839  -6.238  -1.808
   35   2HG   ARG   7          1HG       ARG   7  -5.602  -4.667  -1.555
   36   1HD   ARG   7          2HD       ARG   7  -5.808  -4.382  -3.978
   37   2HD   ARG   7          1HD       ARG   7  -5.050  -5.952  -4.228
   38    HE   ARG   7           HE       ARG   7  -7.054  -6.937  -3.803
   39   1HH1  ARG   7          1HH1      ARG   7  -7.187  -3.648  -2.549
   40   2HH1  ARG   7          2HH1      ARG   7  -8.859  -3.778  -2.096
   41   1HH2  ARG   7          1HH2      ARG   7  -9.250  -7.081  -3.192
   42   2HH2  ARG   7          2HH2      ARG   7 -10.028  -5.721  -2.458
   43    H    CYS   8           H        CYS   8  -2.893  -1.884  -2.025
   44    HA   CYS   8           HA       CYS   8  -0.173  -1.716  -2.742
   45   1HB   CYS   8          2HB       CYS   8  -2.049  -0.260  -3.613
   46   2HB   CYS   8          1HB       CYS   8  -1.981   0.625  -2.094
   47    H    ASN   9           H        ASN   9  -1.902  -0.871   0.187
   48    HA   ASN   9           HA       ASN   9   0.149   0.592   1.465
   49   1HB   ASN   9          2HB       ASN   9  -2.329   0.453   2.090
   50   2HB   ASN   9          1HB       ASN   9  -1.953  -1.090   2.842
   51   1HD2  ASN   9          1HD2      ASN   9  -2.501   2.003   3.508
   52   2HD2  ASN   9          2HD2      ASN   9  -1.542   2.197   4.935
   53    H    TYR  10           H        TYR  10  -0.851  -2.795   1.763
   54    HA   TYR  10           HA       TYR  10   1.232  -3.543   3.535
   55   1HB   TYR  10          2HB       TYR  10  -0.820  -4.999   1.918
   56   2HB   TYR  10          1HB       TYR  10   0.496  -5.911   2.656
   57    HD1  TYR  10           1HD      TYR  10  -0.508  -7.113   4.379
   58    HD2  TYR  10           2HD      TYR  10  -1.378  -2.966   3.983
   59    HE1  TYR  10           1HE      TYR  10  -1.738  -7.172   6.507
   60    HE2  TYR  10           2HE      TYR  10  -2.611  -3.015   6.110
   61    HH   TYR  10           HH       TYR  10  -2.498  -4.561   8.266
   62    H    ASP  11           H        ASP  11   1.025  -3.328   0.088
   63    HA   ASP  11           HA       ASP  11   3.346  -5.001  -0.379
   64   1HB   ASP  11          2HB       ASP  11   1.390  -4.853  -1.949
   65   2HB   ASP  11          1HB       ASP  11   1.872  -3.210  -2.320
   66    H    HIS  12           H        HIS  12   2.544  -1.599  -0.174
   67    HA   HIS  12           HA       HIS  12   5.405  -0.961  -0.589
   68   1HB   HIS  12          2HB       HIS  12   3.086   0.877  -1.229
   69   2HB   HIS  12          1HB       HIS  12   4.784   1.131  -1.615
   70    HD1  HIS  12           1HD      HIS  12   2.262   0.927  -3.636
   71    HD2  HIS  12           2HD      HIS  12   5.164  -1.955  -2.941
   72    HE1  HIS  12           1HE      HIS  12   2.252  -0.543  -5.669
   73    HE2  HIS  12           2HE      HIS  12   3.769  -2.456  -5.040
   74    HA   PRO  13           HA       PRO  13   3.914   0.413   3.694
   75   1HB   PRO  13          2HB       PRO  13   6.386  -0.943   4.556
   76   2HB   PRO  13          1HB       PRO  13   4.746  -1.085   5.196
   77   1HG   PRO  13          2HG       PRO  13   5.869  -3.065   3.785
   78   2HG   PRO  13          1HG       PRO  13   4.140  -2.695   3.653
   79   1HD   PRO  13          2HD       PRO  13   6.379  -1.970   1.800
   80   2HD   PRO  13          1HD       PRO  13   4.745  -2.551   1.417
   81    H    GLU  14           H        GLU  14   6.937   0.419   1.970
   82    HA   GLU  14           HA       GLU  14   8.344   2.307   3.514
   83   1HB   GLU  14          2HB       GLU  14   9.691   2.609   1.412
   84   2HB   GLU  14          1HB       GLU  14   9.535   0.941   1.949
   85   1HG   GLU  14          2HG       GLU  14   7.691   0.650   0.309
   86   2HG   GLU  14          1HG       GLU  14   8.027   2.273  -0.287
   87    H    ILE  15           H        ILE  15   6.250   2.655   0.684
   88    HA   ILE  15           HA       ILE  15   6.502   5.524   0.626
   89    HB   ILE  15           HB       ILE  15   4.509   3.772  -0.829
   90   1HG1  ILE  15          2HG1      ILE  15   7.182   4.821  -1.791
   91   2HG1  ILE  15          1HG1      ILE  15   6.866   3.157  -1.318
   92   1HG2  ILE  15          1HG2      ILE  15   4.235   6.368  -0.557
   93   2HG2  ILE  15          2HG2      ILE  15   3.933   5.589  -2.110
   94   3HG2  ILE  15          3HG2      ILE  15   5.463   6.416  -1.821
   95   1HD1  ILE  15          1HD1      ILE  15   6.862   3.463  -3.745
   96   2HD1  ILE  15          2HD1      ILE  15   5.521   4.597  -3.591
   97   3HD1  ILE  15          3HD1      ILE  15   5.301   2.906  -3.143
   98    H    CYS  16           H        CYS  16   3.999   3.173   1.462
   99    HA   CYS  16           HA       CYS  16   2.303   5.277   2.542
  100   1HB   CYS  16          2HB       CYS  16   1.887   2.342   2.019
  101   2HB   CYS  16          1HB       CYS  16   0.711   3.327   2.887
  102   1HN   NH2  17          1H        CYS  16   4.573   5.103   3.994
  103   2HN   NH2  17          2H        CYS  16   4.267   4.383   5.534