*HEADER    PLANT PROTEIN                           07-JUN-10   2KYQ              
*TITLE     1H, 15N, 13C CHEMICAL SHIFTS AND STRUCTURE OF CKR-BRAZZEIN            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DEFENSIN-LIKE PROTEIN;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: BRAZZEIN;                                                   
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PENTADIPLANDRA BRAZZEANA;                       
*SOURCE   3 ORGANISM_TAXID: 43545;                                               
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS (DE3) RIPL;                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET9A                                      
*KEYWDS    SWEET-TASTING PROTEIN, PLANT PROTEIN                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.M.DITTLI, F.M.ASSADI-PORTER, H.RAO, M.TONELLI                       
*REVDAT   1   18-MAY-11 2KYQ    0                                                


   3 CYSS  PHI    -165.0   -93.0
   3 CYSS  PSI     128.0   172.0
   4 LYS   PHI    -177.0   -89.0
   4 LYS   PSI     115.0   179.0
   5 ARG   PHI    -146.0   -82.0
   5 ARG   PSI     118.0   162.0
   6 LYS   PHI    -176.0   -88.0
   6 LYS   PSI     100.0   164.0
   7 VAL   PHI    -123.0   -63.0
   7 VAL   PSI     108.0   140.0
   8 TYR   PHI    -147.0   -47.0
   8 TYR   PSI      74.0   134.0
   9 GLU   PHI    -114.0   -30.0
   9 GLU   PSI     -61.0     7.0
  10 ASN   PHI     -93.0   -57.0
  10 ASN   PSI     -41.0    15.0
  11 TYR   PHI    -152.0   -24.0
  11 TYR   PSI      86.0   190.0
  13 VAL   PHI     -68.0   -48.0
  13 VAL   PSI     -52.0   -16.0
  14 SER   PHI     -75.0   -55.0
  14 SER   PSI     -50.0   -30.0
  15 LYS   PHI     -85.0   -49.0
  15 LYS   PSI     -67.0    -7.0
  16 CYSS  PHI    -143.0   -31.0
  16 CYSS  PSI     -65.0    19.0
  17 GLN   PHI    -115.0   -47.0
  17 GLN   PSI     -35.0    13.0
  18 LEU   PHI    -120.0   -52.0
  18 LEU   PSI      67.0   175.0
  19 ALA   PHI     -91.0   -43.0
  19 ALA   PSI     -63.0    21.0
  20 ASN   PHI     -90.0   -46.0
  20 ASN   PSI     -74.0    18.0
  21 GLN   PHI     -82.0   -46.0
  21 GLN   PSI     -50.0   -10.0
  22 CYSS  PHI    -116.0   -36.0
  22 CYSS  PSI     -63.0    -7.0
  23 ASN   PHI     -70.0   -50.0
  23 ASN   PSI     -57.0   -25.0
  24 TYR   PHI     -72.0   -52.0
  24 TYR   PSI     -50.0   -30.0
  25 ASP   PHI     -78.0   -54.0
  25 ASP   PSI     -52.0   -28.0
  26 CYSS  PHI     -79.0   -51.0
  26 CYSS  PSI     -59.0   -31.0
  27 LYS   PHI     -91.0   -51.0
  27 LYS   PSI     -61.0    -9.0
  28 LEU   PHI     -76.0   -48.0
  28 LEU   PSI     -56.0   -24.0
  29 ASP   PHI     -88.0   -44.0
  29 ASP   PSI     -48.0   -16.0
  30 LYS   PHI    -123.0   -71.0
  30 LYS   PSI     -17.0    39.0
  31 HIS   PHI      48.0    68.0
  31 HIS   PSI      15.0    63.0
  34 SER   PHI    -135.0   -83.0
  34 SER   PSI     -38.0    38.0
  36 GLU   PHI    -185.0   -61.0
  36 GLU   PSI     116.0   180.0
  37 CYSS  PHI    -160.0  -104.0
  37 CYSS  PSI     131.0   175.0
  38 PHE   PHI    -168.0  -104.0
  38 PHE   PSI     123.0   175.0
  39 TYR   PHI    -115.0   -59.0
  39 TYR   PSI     107.0   151.0
  40 ASP   PHI    -109.0   -61.0
  40 ASP   PSI     117.0   209.0
  41 GLU   PHI     -75.0   -47.0
  41 GLU   PSI     -45.0    -5.0
  42 LYS   PHI    -121.0   -72.4
  42 LYS   PSI     -10.2    29.0
  43 ARG   PHI      45.0    77.0
  43 ARG   PSI       1.0    65.0
  44 ASN   PHI    -143.0   -63.0
  44 ASN   PSI      79.0   191.0
  45 LEU   PHI    -114.0   -58.0
  45 LEU   PSI     104.0   160.0
  46 GLN   PHI    -178.0   -74.0
  46 GLN   PSI     103.0   175.0
  47 CYSS  PHI    -163.0   -95.0
  47 CYSS  PSI     111.0   159.0
  48 ILE   PHI    -130.0   -78.0
  48 ILE   PSI     115.0   147.0
  49 CYSS  PHI    -155.0  -103.0
  49 CYSS  PSI     125.0   173.0
  50 ASP   PHI    -170.0   -62.0
  50 ASP   PSI     100.0   156.0
  51 TYR   PHI    -126.0   -70.0
  51 TYR   PSI     113.0   149.0
  52 CYSS  PHI    -159.0  -103.0
  52 CYSS  PSI     128.0   176.0
  53 GLU   PHI    -143.0   -55.0
  53 GLU   PSI     101.0   161.0
 22 CYSS O      26 CYSS H       1.80 
 22 CYSS O      26 CYSS N       2.70 
 21 GLN  O      25 ASP  H       1.80 
 21 GLN  O      25 ASP  N       2.70 
  4 LYS  O      51 TYR  H       1.80 
  4 LYS  O      51 TYR  N       2.70 
  6 LYS  O      49 CYSS H       1.80 
  6 LYS  O      49 CYSS N       2.70 
 36 GLU  O      48 ILE  H       1.80 
 36 GLU  O      48 ILE  N       2.70 
 36 GLU  H      48 ILE  O       1.80 
 36 GLU  N      48 ILE  O       2.70 
 40 ASP  H      44 ASN  O       1.80 
 40 ASP  N      44 ASN  O       2.70 
 22 CYSS O      26 CYSS H       2.00 
 22 CYSS O      26 CYSS N       3.00 
 21 GLN  O      25 ASP  H       2.00 
 21 GLN  O      25 ASP  N       3.00 
  4 LYS  O      51 TYR  H       2.00 
  4 LYS  O      51 TYR  N       3.00 
  6 LYS  O      49 CYSS H       2.00 
  6 LYS  O      49 CYSS N       3.00 
 36 GLU  O      48 ILE  H       2.00 
 36 GLU  O      48 ILE  N       3.00 
 36 GLU  H      48 ILE  O       2.00 
 36 GLU  N      48 ILE  O       3.00 
 40 ASP  H      44 ASN  O       2.00 
 40 ASP  N      44 ASN  O       3.00 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   2           H        ASP   2 -18.137   3.945   5.067
    2    HA   ASP   2           HA       ASP   2 -17.098   5.657   2.956
    3    HB2  ASP   2           1HB      ASP   2 -18.724   6.620   4.492
    4    HB3  ASP   2           2HB      ASP   2 -17.699   6.220   5.867
    5    H    CYS   3           H        CYS   3 -15.080   4.762   2.521
    6    HA   CYS   3           HA       CYS   3 -13.073   5.209   4.625
    7    HB2  CYS   3           1HB      CYS   3 -12.841   2.962   2.631
    8    HB3  CYS   3           2HB      CYS   3 -11.937   3.199   4.123
    9    H    LYS   4           H        LYS   4 -10.791   5.172   3.590
   10    HA   LYS   4           HA       LYS   4 -10.843   6.458   0.949
   11    HB2  LYS   4           1HB      LYS   4  -9.012   8.000   1.869
   12    HB3  LYS   4           2HB      LYS   4 -10.670   8.336   2.347
   13    HG2  LYS   4           1HG      LYS   4  -9.038   6.588   4.105
   14    HG3  LYS   4           2HG      LYS   4  -8.693   8.319   4.090
   15    HD2  LYS   4           1HD      LYS   4 -11.532   7.481   4.328
   16    HD3  LYS   4           2HD      LYS   4 -10.488   7.243   5.731
   17    HE2  LYS   4           1HE      LYS   4  -9.830   9.636   5.566
   18    HE3  LYS   4           2HE      LYS   4 -11.013   9.830   4.276
   19    HZ1  LYS   4           3HZ      LYS   4 -12.761   9.223   5.804
   20    HZ2  LYS   4           1HZ      LYS   4 -11.877  10.519   6.441
   21    HZ3  LYS   4           2HZ      LYS   4 -11.640   8.957   7.043
   22    H    ARG   5           H        ARG   5  -8.838   6.363  -0.212
   23    HA   ARG   5           HA       ARG   5  -6.772   4.601   0.845
   24    HB2  ARG   5           1HB      ARG   5  -6.817   3.215  -1.235
   25    HB3  ARG   5           2HB      ARG   5  -8.225   3.008  -0.204
   26    HG2  ARG   5           1HG      ARG   5  -9.180   3.134  -2.288
   27    HG3  ARG   5           2HG      ARG   5  -9.288   4.810  -1.745
   28    HD2  ARG   5           1HD      ARG   5  -7.706   5.531  -3.219
   29    HD3  ARG   5           2HD      ARG   5  -6.839   3.996  -3.205
   30    HE   ARG   5           HE       ARG   5  -9.338   3.637  -4.438
   31   HH11  ARG   5          1HH1      ARG   5  -6.269   5.186  -4.987
   32   HH12  ARG   5          2HH1      ARG   5  -6.371   5.071  -6.711
   33   HH21  ARG   5          1HH2      ARG   5  -9.485   3.480  -6.709
   34   HH22  ARG   5          2HH2      ARG   5  -8.202   4.101  -7.691
   35    H    LYS   6           H        LYS   6  -4.802   4.647  -0.397
   36    HA   LYS   6           HA       LYS   6  -4.539   6.497  -2.585
   37    HB2  LYS   6           1HB      LYS   6  -4.522   8.110  -0.798
   38    HB3  LYS   6           2HB      LYS   6  -3.365   7.154   0.119
   39    HG2  LYS   6           1HG      LYS   6  -1.593   7.758  -1.226
   40    HG3  LYS   6           2HG      LYS   6  -2.635   8.159  -2.594
   41    HD2  LYS   6           1HD      LYS   6  -2.905   9.745  -0.088
   42    HD3  LYS   6           2HD      LYS   6  -1.508  10.041  -1.126
   43    HE2  LYS   6           1HE      LYS   6  -3.342  10.113  -3.010
   44    HE3  LYS   6           2HE      LYS   6  -4.408  10.487  -1.658
   45    HZ1  LYS   6           3HZ      LYS   6  -3.343  12.426  -2.869
   46    HZ2  LYS   6           1HZ      LYS   6  -1.896  11.979  -2.114
   47    HZ3  LYS   6           2HZ      LYS   6  -3.232  12.431  -1.180
   48    H    VAL   7           H        VAL   7  -2.649   6.206  -3.735
   49    HA   VAL   7           HA       VAL   7  -0.978   3.957  -2.839
   50    HB   VAL   7           HB       VAL   7  -2.115   3.544  -4.951
   51   HG11  VAL   7          1HG1      VAL   7  -1.632   4.894  -6.936
   52   HG12  VAL   7          2HG1      VAL   7  -2.410   5.853  -5.676
   53   HG13  VAL   7          3HG1      VAL   7  -0.674   5.998  -5.951
   54   HG21  VAL   7          3HG2      VAL   7   0.838   4.037  -5.339
   55   HG22  VAL   7          1HG2      VAL   7   0.115   2.597  -4.621
   56   HG23  VAL   7          2HG2      VAL   7  -0.172   2.975  -6.320
   57    H    TYR   8           H        TYR   8   1.218   4.131  -2.740
   58    HA   TYR   8           HA       TYR   8   2.366   6.779  -3.338
   59    HB2  TYR   8           1HB      TYR   8   2.070   5.858  -0.834
   60    HB3  TYR   8           2HB      TYR   8   3.619   5.117  -1.219
   61    HD1  TYR   8           HD1      TYR   8   2.065   8.454  -1.899
   62    HD2  TYR   8           HD2      TYR   8   5.384   6.300  -0.335
   63    HE1  TYR   8           HE1      TYR   8   3.199  10.579  -1.394
   64    HE2  TYR   8           HE2      TYR   8   6.526   8.417   0.175
   65    HH   TYR   8           HH       TYR   8   4.953  11.540  -0.410
   66    H    GLU   9           H        GLU   9   3.068   6.068  -5.382
   67    HA   GLU   9           HA       GLU   9   4.534   3.743  -5.889
   68    HB2  GLU   9           1HB      GLU   9   5.095   4.697  -7.983
   69    HB3  GLU   9           2HB      GLU   9   3.498   5.314  -7.584
   70    HG2  GLU   9           1HG      GLU   9   4.890   7.304  -6.571
   71    HG3  GLU   9           2HG      GLU   9   6.104   6.731  -7.713
   72    H    ASN  10           H        ASN  10   5.438   6.652  -4.314
   73    HA   ASN  10           HA       ASN  10   8.174   6.774  -4.812
   74    HB2  ASN  10           1HB      ASN  10   6.364   7.730  -2.670
   75    HB3  ASN  10           2HB      ASN  10   8.070   7.623  -2.247
   76   HD21  ASN  10          2HD2      ASN  10   5.750   9.068  -4.431
   77   HD22  ASN  10          1HD2      ASN  10   6.742  10.399  -4.909
   78    H    TYR  11           H        TYR  11   6.340   4.576  -2.858
   79    HA   TYR  11           HA       TYR  11   8.517   3.632  -1.271
   80    HB2  TYR  11           1HB      TYR  11   5.721   2.700  -1.805
   81    HB3  TYR  11           2HB      TYR  11   6.853   1.625  -0.990
   82    HD1  TYR  11           HD1      TYR  11   8.349   3.354   0.768
   83    HD2  TYR  11           HD2      TYR  11   4.216   3.488  -0.235
   84    HE1  TYR  11           HE1      TYR  11   7.872   4.468   2.908
   85    HE2  TYR  11           HE2      TYR  11   3.728   4.603   1.902
   86    HH   TYR  11           HH       TYR  11   4.719   5.776   3.636
   87    HA   PRO  12           HA       PRO  12  10.474   0.776  -3.965
   88    HB2  PRO  12           1HB      PRO  12  11.148  -1.218  -2.250
   89    HB3  PRO  12           2HB      PRO  12  11.956   0.354  -2.261
   90    HG2  PRO  12           1HG      PRO  12   9.792  -0.651  -0.454
   91    HG3  PRO  12           2HG      PRO  12  11.246   0.278  -0.047
   92    HD2  PRO  12           1HD      PRO  12   8.803   1.423  -0.280
   93    HD3  PRO  12           2HD      PRO  12  10.303   2.278  -0.697
   94    H    VAL  13           H        VAL  13   9.713  -0.638  -5.405
   95    HA   VAL  13           HA       VAL  13   7.222  -1.947  -5.061
   96    HB   VAL  13           HB       VAL  13   9.338  -2.402  -7.169
   97   HG11  VAL  13          1HG1      VAL  13   6.578  -3.453  -6.794
   98   HG12  VAL  13          2HG1      VAL  13   7.139  -3.103  -8.430
   99   HG13  VAL  13          3HG1      VAL  13   8.016  -4.256  -7.424
  100   HG21  VAL  13          3HG2      VAL  13   7.371  -0.295  -6.735
  101   HG22  VAL  13          1HG2      VAL  13   8.775  -0.333  -7.801
  102   HG23  VAL  13          2HG2      VAL  13   7.248  -1.044  -8.326
  103    H    SER  14           H        SER  14  10.541  -2.922  -4.605
  104    HA   SER  14           HA       SER  14  10.298  -5.690  -4.675
  105    HB2  SER  14           1HB      SER  14  12.189  -5.507  -2.840
  106    HB3  SER  14           2HB      SER  14  12.498  -5.002  -4.501
  107    HG   SER  14           HG       SER  14  13.193  -3.405  -3.067
  108    H    LYS  15           H        LYS  15   9.320  -3.403  -2.236
  109    HA   LYS  15           HA       LYS  15   8.962  -5.303  -0.135
  110    HB2  LYS  15           1HB      LYS  15   8.287  -2.441  -0.582
  111    HB3  LYS  15           2HB      LYS  15   7.366  -3.303   0.643
  112    HG2  LYS  15           1HG      LYS  15   9.302  -2.122   1.575
  113    HG3  LYS  15           2HG      LYS  15   9.393  -3.866   1.829
  114    HD2  LYS  15           1HD      LYS  15  10.973  -4.102   0.037
  115    HD3  LYS  15           2HD      LYS  15  10.773  -2.410  -0.424
  116    HE2  LYS  15           1HE      LYS  15  11.970  -3.460   2.137
  117    HE3  LYS  15           2HE      LYS  15  12.830  -2.676   0.813
  118    HZ1  LYS  15           3HZ      LYS  15  11.438  -1.500   2.997
  119    HZ2  LYS  15           1HZ      LYS  15  10.851  -0.914   1.523
  120    HZ3  LYS  15           2HZ      LYS  15  12.497  -0.782   1.891
  121    H    CYS  16           H        CYS  16   7.088  -4.295  -2.852
  122    HA   CYS  16           HA       CYS  16   4.492  -4.796  -2.062
  123    HB2  CYS  16           1HB      CYS  16   5.072  -3.887  -4.262
  124    HB3  CYS  16           2HB      CYS  16   5.763  -5.437  -4.732
  125    H    GLN  17           H        GLN  17   7.026  -7.076  -2.898
  126    HA   GLN  17           HA       GLN  17   5.500  -9.392  -3.178
  127    HB2  GLN  17           1HB      GLN  17   8.269  -9.194  -1.985
  128    HB3  GLN  17           2HB      GLN  17   7.542 -10.620  -2.713
  129    HG2  GLN  17           1HG      GLN  17   7.443  -9.419  -4.870
  130    HG3  GLN  17           2HG      GLN  17   8.285  -8.066  -4.116
  131   HE21  GLN  17          2HE2      GLN  17   9.419  -9.121  -6.275
  132   HE22  GLN  17          1HE2      GLN  17  10.807 -10.063  -5.862
  133    H    LEU  18           H        LEU  18   6.531  -7.671  -0.323
  134    HA   LEU  18           HA       LEU  18   5.768  -9.805   1.474
  135    HB2  LEU  18           1HB      LEU  18   6.869  -7.048   1.785
  136    HB3  LEU  18           2HB      LEU  18   6.119  -7.842   3.168
  137    HG   LEU  18           HG       LEU  18   8.681  -7.974   2.874
  138   HD11  LEU  18          1HD1      LEU  18   8.646 -10.353   3.722
  139   HD12  LEU  18          2HD1      LEU  18   6.902 -10.326   3.459
  140   HD13  LEU  18          3HD1      LEU  18   7.639  -9.200   4.600
  141   HD21  LEU  18          3HD2      LEU  18   8.575  -8.660   0.495
  142   HD22  LEU  18          1HD2      LEU  18   7.849 -10.185   1.001
  143   HD23  LEU  18          2HD2      LEU  18   9.490  -9.781   1.505
  144    H    ALA  19           H        ALA  19   3.872 -10.034   2.503
  145    HA   ALA  19           HA       ALA  19   1.719  -8.199   1.801
  146    HB1  ALA  19           3HB      ALA  19   0.809 -10.244   1.519
  147    HB2  ALA  19           1HB      ALA  19   1.898 -11.007   2.678
  148    HB3  ALA  19           2HB      ALA  19   0.490 -10.109   3.248
  149    H    ASN  20           H        ASN  20   3.633  -9.164   4.543
  150    HA   ASN  20           HA       ASN  20   1.900  -7.775   6.424
  151    HB2  ASN  20           1HB      ASN  20   4.414  -9.411   6.734
  152    HB3  ASN  20           2HB      ASN  20   3.730  -8.492   8.071
  153   HD21  ASN  20          2HD2      ASN  20   3.958 -11.466   6.990
  154   HD22  ASN  20          1HD2      ASN  20   2.430 -12.120   7.460
  155    H    GLN  21           H        GLN  21   4.518  -7.070   4.410
  156    HA   GLN  21           HA       GLN  21   5.677  -5.012   6.071
  157    HB2  GLN  21           1HB      GLN  21   7.056  -6.307   4.483
  158    HB3  GLN  21           2HB      GLN  21   6.132  -5.636   3.147
  159    HG2  GLN  21           1HG      GLN  21   7.892  -4.221   3.096
  160    HG3  GLN  21           2HG      GLN  21   6.892  -3.356   4.261
  161   HE21  GLN  21          2HE2      GLN  21   9.933  -4.197   3.669
  162   HE22  GLN  21          1HE2      GLN  21  10.547  -4.351   5.276
  163    H    CYS  22           H        CYS  22   3.538  -5.200   3.268
  164    HA   CYS  22           HA       CYS  22   3.400  -2.478   2.655
  165    HB2  CYS  22           1HB      CYS  22   2.060  -4.867   1.868
  166    HB3  CYS  22           2HB      CYS  22   0.837  -3.652   2.224
  167    H    ASN  23           H        ASN  23   0.950  -4.353   4.452
  168    HA   ASN  23           HA       ASN  23  -0.493  -2.157   5.381
  169    HB2  ASN  23           1HB      ASN  23  -1.702  -3.659   6.666
  170    HB3  ASN  23           2HB      ASN  23  -1.017  -4.727   5.444
  171   HD21  ASN  23          2HD2      ASN  23   0.155  -6.404   6.089
  172   HD22  ASN  23          1HD2      ASN  23   0.704  -6.678   7.705
  173    H    TYR  24           H        TYR  24   2.455  -3.586   6.535
  174    HA   TYR  24           HA       TYR  24   2.432  -2.501   9.150
  175    HB2  TYR  24           1HB      TYR  24   3.922  -4.303   8.740
  176    HB3  TYR  24           2HB      TYR  24   4.647  -3.489   7.359
  177    HD1  TYR  24           HD1      TYR  24   4.337  -3.358  11.054
  178    HD2  TYR  24           HD2      TYR  24   6.527  -2.099   7.630
  179    HE1  TYR  24           HE1      TYR  24   6.095  -2.456  12.518
  180    HE2  TYR  24           HE2      TYR  24   8.293  -1.195   9.085
  181    HH   TYR  24           HH       TYR  24   8.132  -0.330  11.853
  182    H    ASP  25           H        ASP  25   3.851  -1.380   6.098
  183    HA   ASP  25           HA       ASP  25   4.884   1.032   7.273
  184    HB2  ASP  25           1HB      ASP  25   6.140   0.272   5.442
  185    HB3  ASP  25           2HB      ASP  25   4.703  -0.033   4.467
  186    H    CYS  26           H        CYS  26   1.953   0.050   5.690
  187    HA   CYS  26           HA       CYS  26   1.040   2.699   5.087
  188    HB2  CYS  26           1HB      CYS  26  -0.288  -0.006   5.108
  189    HB3  CYS  26           2HB      CYS  26  -1.190   1.470   4.782
  190    H    LYS  27           H        LYS  27   0.017   0.248   7.466
  191    HA   LYS  27           HA       LYS  27  -1.732   1.974   8.864
  192    HB2  LYS  27           1HB      LYS  27  -0.342  -0.516   9.871
  193    HB3  LYS  27           2HB      LYS  27  -1.752   0.246  10.594
  194    HG2  LYS  27           1HG      LYS  27  -3.167  -0.477   8.932
  195    HG3  LYS  27           2HG      LYS  27  -1.864  -0.649   7.752
  196    HD2  LYS  27           1HD      LYS  27  -2.476  -2.849   8.328
  197    HD3  LYS  27           2HD      LYS  27  -0.988  -2.529   9.224
  198    HE2  LYS  27           1HE      LYS  27  -2.513  -3.613  10.707
  199    HE3  LYS  27           2HE      LYS  27  -2.400  -1.923  11.195
  200    HZ1  LYS  27           3HZ      LYS  27  -4.528  -2.744   9.342
  201    HZ2  LYS  27           1HZ      LYS  27  -4.510  -1.475  10.462
  202    HZ3  LYS  27           2HZ      LYS  27  -4.703  -3.069  10.994
  203    H    LEU  28           H        LEU  28   1.626   1.875   8.730
  204    HA   LEU  28           HA       LEU  28   2.155   2.734  11.424
  205    HB2  LEU  28           1HB      LEU  28   3.897   1.542  10.387
  206    HB3  LEU  28           2HB      LEU  28   3.810   2.527   8.928
  207    HG   LEU  28           HG       LEU  28   4.526   4.011  11.358
  208   HD11  LEU  28          1HD1      LEU  28   6.684   2.295  10.220
  209   HD12  LEU  28          2HD1      LEU  28   5.632   1.649  11.480
  210   HD13  LEU  28          3HD1      LEU  28   6.590   3.097  11.788
  211   HD21  LEU  28          3HD2      LEU  28   6.396   4.118   9.186
  212   HD22  LEU  28          1HD2      LEU  28   5.331   5.378   9.806
  213   HD23  LEU  28          2HD2      LEU  28   4.750   4.262   8.570
  214    H    ASP  29           H        ASP  29   2.621   4.335   8.267
  215    HA   ASP  29           HA       ASP  29   2.477   6.930   9.599
  216    HB2  ASP  29           1HB      ASP  29   3.596   5.920   7.052
  217    HB3  ASP  29           2HB      ASP  29   2.919   7.545   7.000
  218    H    LYS  30           H        LYS  30   0.998   5.282   6.809
  219    HA   LYS  30           HA       LYS  30  -0.986   7.282   6.410
  220    HB2  LYS  30           1HB      LYS  30  -1.172   4.414   5.500
  221    HB3  LYS  30           2HB      LYS  30  -1.900   5.834   4.759
  222    HG2  LYS  30           1HG      LYS  30   0.871   6.297   4.805
  223    HG3  LYS  30           2HG      LYS  30   0.643   4.635   4.255
  224    HD2  LYS  30           1HD      LYS  30   0.440   5.701   2.253
  225    HD3  LYS  30           2HD      LYS  30  -1.242   5.796   2.781
  226    HE2  LYS  30           1HE      LYS  30   0.549   7.983   3.650
  227    HE3  LYS  30           2HE      LYS  30   0.158   7.920   1.932
  228    HZ1  LYS  30           3HZ      LYS  30  -1.577   8.470   4.214
  229    HZ2  LYS  30           1HZ      LYS  30  -2.254   7.610   2.924
  230    HZ3  LYS  30           2HZ      LYS  30  -1.586   9.141   2.661
  231    H    HIS  31           H        HIS  31  -0.633   4.924   8.761
  232    HA   HIS  31           HA       HIS  31  -2.008   3.997  10.326
  233    HB2  HIS  31           1HB      HIS  31  -3.357   6.625   9.747
  234    HB3  HIS  31           2HB      HIS  31  -3.988   5.518  10.961
  235    HD1  HIS  31           HD1      HIS  31  -1.923   4.749  12.741
  236    HD2  HIS  31           HD2      HIS  31  -1.691   8.437  10.839
  237    HE1  HIS  31           HE1      HIS  31  -0.341   6.124  14.131
  238    H    ALA  32           H        ALA  32  -2.498   3.377   7.458
  239    HA   ALA  32           HA       ALA  32  -5.240   3.151   6.915
  240    HB1  ALA  32           3HB      ALA  32  -4.534   2.271   4.995
  241    HB2  ALA  32           1HB      ALA  32  -2.895   2.531   5.592
  242    HB3  ALA  32           2HB      ALA  32  -3.679   0.967   5.816
  243    H    ARG  33           H        ARG  33  -5.693   0.479   6.326
  244    HA   ARG  33           HA       ARG  33  -5.584  -0.862   8.940
  245    HB2  ARG  33           1HB      ARG  33  -7.828   0.311   8.324
  246    HB3  ARG  33           2HB      ARG  33  -8.037  -1.044   7.223
  247    HG2  ARG  33           1HG      ARG  33  -7.718  -2.570   9.182
  248    HG3  ARG  33           2HG      ARG  33  -7.768  -1.140  10.216
  249    HD2  ARG  33           1HD      ARG  33 -10.000  -0.602   9.282
  250    HD3  ARG  33           2HD      ARG  33  -9.945  -2.109   8.367
  251    HE   ARG  33           HE       ARG  33 -10.545  -3.216  10.266
  252   HH11  ARG  33          1HH1      ARG  33  -9.223  -0.121  11.156
  253   HH12  ARG  33          2HH1      ARG  33  -9.588  -0.302  12.840
  254   HH21  ARG  33          1HH2      ARG  33 -11.031  -3.467  12.480
  255   HH22  ARG  33          2HH2      ARG  33 -10.616  -2.207  13.593
  256    H    SER  34           H        SER  34  -6.075  -1.156   5.456
  257    HA   SER  34           HA       SER  34  -5.061  -3.917   5.627
  258    HB2  SER  34           1HB      SER  34  -7.523  -3.779   5.085
  259    HB3  SER  34           2HB      SER  34  -7.080  -2.952   3.592
  260    HG   SER  34           HG       SER  34  -6.470  -5.598   4.383
  261    H    GLY  35           H        GLY  35  -3.439  -1.652   5.272
  262    HA2  GLY  35           1HA      GLY  35  -2.865  -0.814   2.722
  263    HA3  GLY  35           2HA      GLY  35  -1.645  -1.050   3.965
  264    H    GLU  36           H        GLU  36  -2.536  -1.904   0.908
  265    HA   GLU  36           HA       GLU  36  -0.625  -4.090   0.879
  266    HB2  GLU  36           1HB      GLU  36  -3.170  -4.844   1.211
  267    HB3  GLU  36           2HB      GLU  36  -3.172  -4.672  -0.539
  268    HG2  GLU  36           1HG      GLU  36  -1.205  -6.193  -0.623
  269    HG3  GLU  36           2HG      GLU  36  -1.399  -6.456   1.109
  270    H    CYS  37           H        CYS  37  -0.091  -4.769  -1.355
  271    HA   CYS  37           HA       CYS  37  -0.256  -2.458  -3.161
  272    HB2  CYS  37           1HB      CYS  37   1.766  -3.222  -4.172
  273    HB3  CYS  37           2HB      CYS  37   2.000  -3.322  -2.431
  274    H    PHE  38           H        PHE  38  -0.661  -2.764  -5.395
  275    HA   PHE  38           HA       PHE  38  -1.497  -5.335  -6.380
  276    HB2  PHE  38           1HB      PHE  38  -3.467  -3.308  -5.492
  277    HB3  PHE  38           2HB      PHE  38  -3.785  -4.072  -7.046
  278    HD1  PHE  38           HD1      PHE  38  -3.177  -6.775  -6.850
  279    HD2  PHE  38           HD2      PHE  38  -4.664  -4.230  -3.781
  280    HE1  PHE  38           HE1      PHE  38  -4.128  -8.728  -5.696
  281    HE2  PHE  38           HE2      PHE  38  -5.616  -6.180  -2.620
  282    HZ   PHE  38           HZ       PHE  38  -5.349  -8.432  -3.579
  283    H    TYR  39           H        TYR  39  -1.861  -5.353  -8.649
  284    HA   TYR  39           HA       TYR  39  -0.205  -3.654 -10.120
  285    HB2  TYR  39           1HB      TYR  39  -1.208  -4.679 -12.113
  286    HB3  TYR  39           2HB      TYR  39  -0.840  -5.892 -10.891
  287    HD1  TYR  39           HD2      TYR  39  -3.516  -4.110 -12.652
  288    HD2  TYR  39           HD1      TYR  39  -2.612  -7.086  -9.749
  289    HE1  TYR  39           HE2      TYR  39  -5.841  -4.903 -12.751
  290    HE2  TYR  39           HE1      TYR  39  -4.934  -7.890  -9.841
  291    HH   TYR  39           HH       TYR  39  -6.969  -7.552 -10.673
  292    H    ASP  40           H        ASP  40  -0.512  -1.800 -11.233
  293    HA   ASP  40           HA       ASP  40  -3.031  -0.395 -10.786
  294    HB2  ASP  40           1HB      ASP  40  -0.479   0.469 -10.549
  295    HB3  ASP  40           2HB      ASP  40  -0.818   0.967 -12.204
  296    H    GLU  41           H        GLU  41  -3.172   1.345 -12.848
  297    HA   GLU  41           HA       GLU  41  -4.233  -0.295 -14.940
  298    HB2  GLU  41           1HB      GLU  41  -4.895   1.818 -15.983
  299    HB3  GLU  41           2HB      GLU  41  -5.335   1.788 -14.280
  300    HG2  GLU  41           1HG      GLU  41  -3.808   3.389 -13.711
  301    HG3  GLU  41           2HG      GLU  41  -2.737   3.005 -15.056
  302    H    LYS  42           H        LYS  42  -1.209   1.157 -14.325
  303    HA   LYS  42           HA       LYS  42  -0.424   0.976 -17.150
  304    HB2  LYS  42           1HB      LYS  42   0.986   2.285 -14.817
  305    HB3  LYS  42           2HB      LYS  42   1.571   2.270 -16.476
  306    HG2  LYS  42           1HG      LYS  42  -0.703   3.379 -17.028
  307    HG3  LYS  42           2HG      LYS  42  -0.742   3.750 -15.303
  308    HD2  LYS  42           1HD      LYS  42   0.252   5.633 -16.267
  309    HD3  LYS  42           2HD      LYS  42   1.617   4.698 -15.652
  310    HE2  LYS  42           1HE      LYS  42   2.074   3.831 -17.854
  311    HE3  LYS  42           2HE      LYS  42   0.624   4.602 -18.498
  312    HZ1  LYS  42           3HZ      LYS  42   2.622   6.298 -17.193
  313    HZ2  LYS  42           1HZ      LYS  42   1.592   6.646 -18.489
  314    HZ3  LYS  42           2HZ      LYS  42   2.975   5.705 -18.737
  315    H    ARG  43           H        ARG  43  -0.789  -1.313 -15.300
  316    HA   ARG  43           HA       ARG  43   0.224  -3.281 -14.773
  317    HB2  ARG  43           1HB      ARG  43   2.040  -2.304 -16.973
  318    HB3  ARG  43           2HB      ARG  43   2.245  -3.872 -16.207
  319    HG2  ARG  43           1HG      ARG  43   0.973  -4.498 -17.974
  320    HG3  ARG  43           2HG      ARG  43  -0.317  -4.101 -16.836
  321    HD2  ARG  43           1HD      ARG  43  -1.038  -2.925 -18.654
  322    HD3  ARG  43           2HD      ARG  43  -0.024  -1.698 -17.893
  323    HE   ARG  43           HE       ARG  43   1.493  -3.244 -19.713
  324   HH11  ARG  43          1HH1      ARG  43  -0.934  -0.750 -19.595
  325   HH12  ARG  43          2HH1      ARG  43  -0.479  -0.053 -21.113
  326   HH21  ARG  43          1HH2      ARG  43   2.102  -2.335 -21.715
  327   HH22  ARG  43          2HH2      ARG  43   1.248  -0.956 -22.320
  328    H    ASN  44           H        ASN  44   1.036  -0.722 -13.425
  329    HA   ASN  44           HA       ASN  44   3.740  -1.438 -12.538
  330    HB2  ASN  44           1HB      ASN  44   2.120   1.093 -12.239
  331    HB3  ASN  44           2HB      ASN  44   3.653   0.831 -11.415
  332   HD21  ASN  44          2HD2      ASN  44   5.424   0.029 -12.972
  333   HD22  ASN  44          1HD2      ASN  44   5.561   0.913 -14.450
  334    H    LEU  45           H        LEU  45   4.082  -2.325 -10.604
  335    HA   LEU  45           HA       LEU  45   1.805  -2.777  -8.852
  336    HB2  LEU  45           1HB      LEU  45   4.581  -3.740  -8.300
  337    HB3  LEU  45           2HB      LEU  45   3.041  -4.472  -7.858
  338    HG   LEU  45           HG       LEU  45   4.227  -4.401 -10.632
  339   HD11  LEU  45          1HD1      LEU  45   4.053  -6.997 -10.010
  340   HD12  LEU  45          2HD1      LEU  45   4.354  -6.335  -8.404
  341   HD13  LEU  45          3HD1      LEU  45   5.497  -6.028  -9.711
  342   HD21  LEU  45          3HD2      LEU  45   1.974  -4.492 -11.057
  343   HD22  LEU  45          1HD2      LEU  45   1.607  -5.306  -9.536
  344   HD23  LEU  45          2HD2      LEU  45   2.339  -6.208 -10.864
  345    H    GLN  46           H        GLN  46   1.349  -1.384  -7.293
  346    HA   GLN  46           HA       GLN  46   3.569  -0.117  -5.840
  347    HB2  GLN  46           1HB      GLN  46   0.994   1.309  -6.496
  348    HB3  GLN  46           2HB      GLN  46   2.453   1.993  -5.792
  349    HG2  GLN  46           1HG      GLN  46   3.643   1.732  -7.854
  350    HG3  GLN  46           2HG      GLN  46   2.293   0.853  -8.571
  351   HE21  GLN  46          2HE2      GLN  46   2.004   2.274 -10.250
  352   HE22  GLN  46          1HE2      GLN  46   1.396   3.876 -10.034
  353    H    CYS  47           H        CYS  47   3.013   0.596  -3.670
  354    HA   CYS  47           HA       CYS  47   1.132  -1.255  -2.425
  355    HB2  CYS  47           1HB      CYS  47   3.519  -0.943  -1.608
  356    HB3  CYS  47           2HB      CYS  47   3.021   0.644  -1.030
  357    H    ILE  48           H        ILE  48  -0.899  -0.566  -2.280
  358    HA   ILE  48           HA       ILE  48  -1.435   2.280  -1.846
  359    HB   ILE  48           HB       ILE  48  -3.401   0.071  -2.459
  360   HG12  ILE  48          1HG1      ILE  48  -3.328   1.586  -4.699
  361   HG13  ILE  48          2HG1      ILE  48  -1.653   1.732  -4.178
  362   HG21  ILE  48          1HG2      ILE  48  -4.956   1.847  -2.955
  363   HG22  ILE  48          2HG2      ILE  48  -4.330   2.057  -1.320
  364   HG23  ILE  48          3HG2      ILE  48  -3.720   3.063  -2.634
  365   HD11  ILE  48          3HD1      ILE  48  -2.949  -0.428  -5.515
  366   HD12  ILE  48          1HD1      ILE  48  -1.242  -0.216  -5.131
  367   HD13  ILE  48          2HD1      ILE  48  -2.318  -0.986  -3.965
  368    H    CYS  49           H        CYS  49  -2.358   3.074  -0.032
  369    HA   CYS  49           HA       CYS  49  -2.882   1.157   2.140
  370    HB2  CYS  49           1HB      CYS  49  -2.230   4.083   2.487
  371    HB3  CYS  49           2HB      CYS  49  -2.198   2.815   3.708
  372    H    ASP  50           H        ASP  50  -4.867   1.045   2.972
  373    HA   ASP  50           HA       ASP  50  -6.794   3.148   2.231
  374    HB2  ASP  50           1HB      ASP  50  -7.234   0.920   1.215
  375    HB3  ASP  50           2HB      ASP  50  -7.378   0.242   2.834
  376    H    TYR  51           H        TYR  51  -7.495   4.352   3.855
  377    HA   TYR  51           HA       TYR  51  -7.314   3.278   6.588
  378    HB2  TYR  51           1HB      TYR  51  -5.965   5.262   6.280
  379    HB3  TYR  51           2HB      TYR  51  -7.332   6.133   5.594
  380    HD1  TYR  51           HD2      TYR  51  -6.960   4.037   8.667
  381    HD2  TYR  51           HD1      TYR  51  -7.943   7.838   7.025
  382    HE1  TYR  51           HE2      TYR  51  -7.567   4.844  10.910
  383    HE2  TYR  51           HE1      TYR  51  -8.551   8.654   9.263
  384    HH   TYR  51           HH       TYR  51  -8.606   6.503  12.052
  385    H    CYS  52           H        CYS  52  -9.157   2.685   7.493
  386    HA   CYS  52           HA       CYS  52 -11.603   4.189   6.851
  387    HB2  CYS  52           1HB      CYS  52 -11.395   1.890   5.704
  388    HB3  CYS  52           2HB      CYS  52 -11.633   1.213   7.312
  389    H    GLU  53           H        GLU  53 -12.912   4.658   8.546
  390    HA   GLU  53           HA       GLU  53 -12.362   3.395  11.134
  391    HB2  GLU  53           1HB      GLU  53 -11.069   5.460  11.126
  392    HB3  GLU  53           2HB      GLU  53 -12.493   6.376  10.652
  393    HG2  GLU  53           1HG      GLU  53 -13.501   6.117  12.742
  394    HG3  GLU  53           2HG      GLU  53 -12.428   4.792  13.194
  395    H    TYR  54           H        TYR  54 -14.188   2.655  11.966
  396    HA   TYR  54           HA       TYR  54 -16.727   3.209  10.867
  397    HB2  TYR  54           1HB      TYR  54 -15.930   1.139  12.194
  398    HB3  TYR  54           2HB      TYR  54 -16.324   2.081  13.628
  399    HD1  TYR  54           HD1      TYR  54 -17.745   0.595  10.549
  400    HD2  TYR  54           HD2      TYR  54 -18.567   2.334  14.345
  401    HE1  TYR  54           HE1      TYR  54 -20.096  -0.100  10.351
  402    HE2  TYR  54           HE2      TYR  54 -20.920   1.643  14.158
  403    HH   TYR  54           HH       TYR  54 -22.048  -0.330  11.455
  Start of MODEL    2
    1    H1   ASP   2           H        ASP   2 -17.079   5.816   6.251
    2    HA   ASP   2           HA       ASP   2 -17.128   4.980   3.558
    3    HB2  ASP   2           1HB      ASP   2 -18.100   7.235   3.226
    4    HB3  ASP   2           2HB      ASP   2 -16.659   7.943   3.950
    5    H    CYS   3           H        CYS   3 -15.026   4.819   2.635
    6    HA   CYS   3           HA       CYS   3 -12.841   5.290   4.556
    7    HB2  CYS   3           1HB      CYS   3 -12.869   3.024   2.571
    8    HB3  CYS   3           2HB      CYS   3 -11.836   3.226   3.981
    9    H    LYS   4           H        LYS   4 -10.638   5.133   3.370
   10    HA   LYS   4           HA       LYS   4 -10.790   6.365   0.712
   11    HB2  LYS   4           1HB      LYS   4  -8.858   7.878   1.531
   12    HB3  LYS   4           2HB      LYS   4 -10.505   8.300   1.979
   13    HG2  LYS   4           1HG      LYS   4 -10.163   7.248   4.171
   14    HG3  LYS   4           2HG      LYS   4  -8.497   6.879   3.718
   15    HD2  LYS   4           1HD      LYS   4  -9.539   9.688   3.606
   16    HD3  LYS   4           2HD      LYS   4  -8.964   8.995   5.124
   17    HE2  LYS   4           1HE      LYS   4  -6.857   8.365   3.782
   18    HE3  LYS   4           2HE      LYS   4  -7.441   9.530   2.595
   19    HZ1  LYS   4           3HZ      LYS   4  -7.140  10.259   5.443
   20    HZ2  LYS   4           1HZ      LYS   4  -7.223  11.278   4.095
   21    HZ3  LYS   4           2HZ      LYS   4  -5.835  10.351   4.370
   22    H    ARG   5           H        ARG   5  -8.764   6.277  -0.481
   23    HA   ARG   5           HA       ARG   5  -6.746   4.435   0.531
   24    HB2  ARG   5           1HB      ARG   5  -6.855   3.141  -1.644
   25    HB3  ARG   5           2HB      ARG   5  -8.178   2.866  -0.520
   26    HG2  ARG   5           1HG      ARG   5  -9.718   3.837  -1.873
   27    HG3  ARG   5           2HG      ARG   5  -8.556   4.969  -2.569
   28    HD2  ARG   5           1HD      ARG   5  -7.805   3.450  -4.124
   29    HD3  ARG   5           2HD      ARG   5  -8.263   2.059  -3.143
   30    HE   ARG   5           HE       ARG   5 -10.494   3.609  -4.092
   31   HH11  ARG   5          1HH1      ARG   5  -8.285   1.014  -4.806
   32   HH12  ARG   5          2HH1      ARG   5  -9.350   0.244  -5.936
   33   HH21  ARG   5          1HH2      ARG   5 -11.904   2.605  -5.578
   34   HH22  ARG   5          2HH2      ARG   5 -11.407   1.151  -6.375
   35    H    LYS   6           H        LYS   6  -4.739   4.633  -0.465
   36    HA   LYS   6           HA       LYS   6  -4.435   6.451  -2.710
   37    HB2  LYS   6           1HB      LYS   6  -4.378   8.042  -0.927
   38    HB3  LYS   6           2HB      LYS   6  -3.314   7.022   0.032
   39    HG2  LYS   6           1HG      LYS   6  -1.458   7.505  -1.285
   40    HG3  LYS   6           2HG      LYS   6  -2.445   8.081  -2.630
   41    HD2  LYS   6           1HD      LYS   6  -2.517   9.487   0.013
   42    HD3  LYS   6           2HD      LYS   6  -1.208   9.800  -1.129
   43    HE2  LYS   6           1HE      LYS   6  -2.618  10.752  -2.686
   44    HE3  LYS   6           2HE      LYS   6  -4.036   9.900  -2.078
   45    HZ1  LYS   6           3HZ      LYS   6  -4.246  11.370  -0.302
   46    HZ2  LYS   6           1HZ      LYS   6  -3.853  12.378  -1.603
   47    HZ3  LYS   6           2HZ      LYS   6  -2.671  11.966  -0.465
   48    H    VAL   7           H        VAL   7  -2.683   5.987  -3.941
   49    HA   VAL   7           HA       VAL   7  -1.025   3.733  -3.060
   50    HB   VAL   7           HB       VAL   7  -2.140   3.354  -5.165
   51   HG11  VAL   7          1HG1      VAL   7  -1.553   6.110  -5.603
   52   HG12  VAL   7          2HG1      VAL   7  -0.878   5.162  -6.929
   53   HG13  VAL   7          3HG1      VAL   7  -2.594   5.037  -6.538
   54   HG21  VAL   7          3HG2      VAL   7  -0.248   2.797  -6.555
   55   HG22  VAL   7          1HG2      VAL   7   0.770   3.946  -5.688
   56   HG23  VAL   7          2HG2      VAL   7   0.169   2.506  -4.866
   57    H    TYR   8           H        TYR   8   1.173   3.840  -2.952
   58    HA   TYR   8           HA       TYR   8   2.382   6.488  -3.415
   59    HB2  TYR   8           1HB      TYR   8   2.204   5.137  -1.018
   60    HB3  TYR   8           2HB      TYR   8   3.822   4.724  -1.575
   61    HD1  TYR   8           HD2      TYR   8   4.639   7.196  -2.944
   62    HD2  TYR   8           HD1      TYR   8   2.525   6.663   0.710
   63    HE1  TYR   8           HE2      TYR   8   5.470   9.371  -2.153
   64    HE2  TYR   8           HE1      TYR   8   3.349   8.838   1.510
   65    HH   TYR   8           HH       TYR   8   4.673  11.138  -0.454
   66    H    GLU   9           H        GLU   9   3.087   6.076  -5.501
   67    HA   GLU   9           HA       GLU   9   4.493   3.730  -6.256
   68    HB2  GLU   9           1HB      GLU   9   5.003   4.912  -8.315
   69    HB3  GLU   9           2HB      GLU   9   3.323   5.180  -7.872
   70    HG2  GLU   9           1HG      GLU   9   3.960   7.369  -6.925
   71    HG3  GLU   9           2HG      GLU   9   5.608   7.100  -7.491
   72    H    ASN  10           H        ASN  10   5.418   6.620  -4.643
   73    HA   ASN  10           HA       ASN  10   8.164   6.663  -5.327
   74    HB2  ASN  10           1HB      ASN  10   6.555   8.387  -4.031
   75    HB3  ASN  10           2HB      ASN  10   7.350   7.643  -2.647
   76   HD21  ASN  10          2HD2      ASN  10   9.648   7.754  -2.516
   77   HD22  ASN  10          1HD2      ASN  10  10.503   9.040  -3.291
   78    H    TYR  11           H        TYR  11   6.327   4.624  -3.305
   79    HA   TYR  11           HA       TYR  11   8.410   3.894  -1.484
   80    HB2  TYR  11           1HB      TYR  11   5.665   2.898  -2.104
   81    HB3  TYR  11           2HB      TYR  11   6.759   1.836  -1.223
   82    HD1  TYR  11           HD2      TYR  11   6.296   5.533  -1.031
   83    HD2  TYR  11           HD1      TYR  11   6.006   1.790   0.971
   84    HE1  TYR  11           HE2      TYR  11   5.739   6.702   1.060
   85    HE2  TYR  11           HE1      TYR  11   5.446   2.948   3.068
   86    HH   TYR  11           HH       TYR  11   4.397   5.985   3.267
   87    HA   PRO  12           HA       PRO  12  10.617   0.857  -3.752
   88    HB2  PRO  12           1HB      PRO  12  11.082  -1.045  -1.871
   89    HB3  PRO  12           2HB      PRO  12  11.896   0.524  -1.872
   90    HG2  PRO  12           1HG      PRO  12   9.536  -0.385  -0.269
   91    HG3  PRO  12           2HG      PRO  12  10.943   0.563   0.249
   92    HD2  PRO  12           1HD      PRO  12   8.549   1.696  -0.315
   93    HD3  PRO  12           2HD      PRO  12  10.091   2.527  -0.605
   94    H    VAL  13           H        VAL  13   9.905  -0.526  -5.238
   95    HA   VAL  13           HA       VAL  13   7.424  -1.882  -5.024
   96    HB   VAL  13           HB       VAL  13   9.626  -2.457  -7.008
   97   HG11  VAL  13          1HG1      VAL  13   7.347  -2.799  -8.364
   98   HG12  VAL  13          2HG1      VAL  13   8.130  -4.099  -7.463
   99   HG13  VAL  13          3HG1      VAL  13   6.779  -3.217  -6.748
  100   HG21  VAL  13          3HG2      VAL  13   9.369  -0.240  -7.447
  101   HG22  VAL  13          1HG2      VAL  13   8.003  -0.852  -8.380
  102   HG23  VAL  13          2HG2      VAL  13   7.741  -0.181  -6.770
  103    H    SER  14           H        SER  14  10.668  -2.725  -4.191
  104    HA   SER  14           HA       SER  14  10.494  -5.528  -4.309
  105    HB2  SER  14           1HB      SER  14  12.237  -3.577  -2.865
  106    HB3  SER  14           2HB      SER  14  12.282  -5.269  -2.369
  107    HG   SER  14           HG       SER  14  13.805  -5.002  -3.960
  108    H    LYS  15           H        LYS  15   9.382  -3.211  -1.955
  109    HA   LYS  15           HA       LYS  15   8.970  -5.024   0.188
  110    HB2  LYS  15           1HB      LYS  15   8.258  -2.232  -0.438
  111    HB3  LYS  15           2HB      LYS  15   7.147  -3.054   0.650
  112    HG2  LYS  15           1HG      LYS  15   8.900  -1.818   1.841
  113    HG3  LYS  15           2HG      LYS  15   8.944  -3.550   2.181
  114    HD2  LYS  15           1HD      LYS  15  10.898  -3.867   1.007
  115    HD3  LYS  15           2HD      LYS  15  10.627  -2.466  -0.031
  116    HE2  LYS  15           1HE      LYS  15  12.348  -1.752   1.346
  117    HE3  LYS  15           2HE      LYS  15  10.919  -1.099   2.146
  118    HZ1  LYS  15           3HZ      LYS  15  12.829  -2.623   3.323
  119    HZ2  LYS  15           1HZ      LYS  15  11.595  -3.743   3.031
  120    HZ3  LYS  15           2HZ      LYS  15  11.276  -2.351   3.936
  121    H    CYS  16           H        CYS  16   7.104  -4.135  -2.619
  122    HA   CYS  16           HA       CYS  16   4.555  -4.916  -1.887
  123    HB2  CYS  16           1HB      CYS  16   4.995  -3.839  -4.016
  124    HB3  CYS  16           2HB      CYS  16   5.939  -5.224  -4.558
  125    H    GLN  17           H        GLN  17   7.338  -6.873  -2.645
  126    HA   GLN  17           HA       GLN  17   6.106  -9.319  -3.176
  127    HB2  GLN  17           1HB      GLN  17   8.713  -8.926  -1.702
  128    HB3  GLN  17           2HB      GLN  17   8.217 -10.348  -2.611
  129    HG2  GLN  17           1HG      GLN  17   8.744  -7.619  -3.766
  130    HG3  GLN  17           2HG      GLN  17   9.832  -9.003  -3.841
  131   HE21  GLN  17          2HE2      GLN  17   8.454 -11.060  -4.600
  132   HE22  GLN  17          1HE2      GLN  17   7.624 -10.801  -6.092
  133    H    LEU  18           H        LEU  18   6.458  -7.579  -0.218
  134    HA   LEU  18           HA       LEU  18   5.569  -9.924   1.319
  135    HB2  LEU  18           1HB      LEU  18   6.726  -7.328   2.323
  136    HB3  LEU  18           2HB      LEU  18   6.315  -8.735   3.302
  137    HG   LEU  18           HG       LEU  18   8.399  -8.841   1.137
  138   HD11  LEU  18          1HD1      LEU  18   9.343  -7.222   2.487
  139   HD12  LEU  18          2HD1      LEU  18   9.970  -8.710   3.196
  140   HD13  LEU  18          3HD1      LEU  18   8.616  -7.873   3.956
  141   HD21  LEU  18          3HD2      LEU  18   7.172 -10.809   2.622
  142   HD22  LEU  18          1HD2      LEU  18   8.675 -10.517   3.497
  143   HD23  LEU  18          2HD2      LEU  18   8.720 -10.950   1.788
  144    H    ALA  19           H        ALA  19   3.642  -9.929   2.346
  145    HA   ALA  19           HA       ALA  19   1.816  -7.739   1.753
  146    HB1  ALA  19           3HB      ALA  19   0.283  -9.525   3.064
  147    HB2  ALA  19           1HB      ALA  19   0.606  -9.593   1.331
  148    HB3  ALA  19           2HB      ALA  19   1.544 -10.590   2.444
  149    H    ASN  20           H        ASN  20   3.488  -9.167   4.457
  150    HA   ASN  20           HA       ASN  20   1.925  -7.787   6.448
  151    HB2  ASN  20           1HB      ASN  20   4.428  -9.463   6.558
  152    HB3  ASN  20           2HB      ASN  20   3.802  -8.630   7.978
  153   HD21  ASN  20          2HD2      ASN  20   3.705 -10.863   8.782
  154   HD22  ASN  20          1HD2      ASN  20   2.285 -11.791   8.453
  155    H    GLN  21           H        GLN  21   4.597  -7.057   4.457
  156    HA   GLN  21           HA       GLN  21   5.737  -5.060   6.203
  157    HB2  GLN  21           1HB      GLN  21   7.159  -6.316   4.642
  158    HB3  GLN  21           2HB      GLN  21   6.265  -5.645   3.285
  159    HG2  GLN  21           1HG      GLN  21   8.508  -4.594   3.857
  160    HG3  GLN  21           2HG      GLN  21   7.140  -3.512   3.604
  161   HE21  GLN  21          2HE2      GLN  21   7.478  -1.837   4.892
  162   HE22  GLN  21          1HE2      GLN  21   7.833  -1.919   6.580
  163    H    CYS  22           H        CYS  22   3.690  -5.136   3.326
  164    HA   CYS  22           HA       CYS  22   3.604  -2.370   2.848
  165    HB2  CYS  22           1HB      CYS  22   2.249  -4.736   1.888
  166    HB3  CYS  22           2HB      CYS  22   1.110  -3.408   2.085
  167    H    ASN  23           H        ASN  23   1.095  -4.396   4.381
  168    HA   ASN  23           HA       ASN  23  -0.499  -2.306   5.297
  169    HB2  ASN  23           1HB      ASN  23  -1.738  -3.915   6.353
  170    HB3  ASN  23           2HB      ASN  23  -0.795  -4.959   5.294
  171   HD21  ASN  23          2HD2      ASN  23   1.345  -5.661   6.267
  172   HD22  ASN  23          1HD2      ASN  23   1.303  -6.161   7.921
  173    H    TYR  24           H        TYR  24   2.417  -3.681   6.624
  174    HA   TYR  24           HA       TYR  24   2.177  -2.597   9.236
  175    HB2  TYR  24           1HB      TYR  24   3.684  -4.423   8.912
  176    HB3  TYR  24           2HB      TYR  24   4.554  -3.564   7.646
  177    HD1  TYR  24           HD1      TYR  24   3.745  -3.367  11.279
  178    HD2  TYR  24           HD2      TYR  24   6.479  -2.369   8.176
  179    HE1  TYR  24           HE1      TYR  24   5.328  -2.514  12.957
  180    HE2  TYR  24           HE2      TYR  24   8.071  -1.515   9.845
  181    HH   TYR  24           HH       TYR  24   8.008  -2.213  12.973
  182    H    ASP  25           H        ASP  25   3.776  -1.482   6.279
  183    HA   ASP  25           HA       ASP  25   4.788   0.908   7.505
  184    HB2  ASP  25           1HB      ASP  25   5.630  -0.421   5.382
  185    HB3  ASP  25           2HB      ASP  25   4.504   0.640   4.541
  186    H    CYS  26           H        CYS  26   1.895  -0.021   5.823
  187    HA   CYS  26           HA       CYS  26   1.037   2.667   5.262
  188    HB2  CYS  26           1HB      CYS  26  -0.290  -0.032   5.080
  189    HB3  CYS  26           2HB      CYS  26  -1.183   1.459   4.793
  190    H    LYS  27           H        LYS  27   0.003   0.128   7.535
  191    HA   LYS  27           HA       LYS  27  -1.866   1.773   8.896
  192    HB2  LYS  27           1HB      LYS  27  -0.479  -0.749   9.824
  193    HB3  LYS  27           2HB      LYS  27  -1.880  -0.016  10.593
  194    HG2  LYS  27           1HG      LYS  27  -3.312  -0.668   8.924
  195    HG3  LYS  27           2HG      LYS  27  -2.033  -0.753   7.711
  196    HD2  LYS  27           1HD      LYS  27  -2.498  -2.989   8.107
  197    HD3  LYS  27           2HD      LYS  27  -1.123  -2.695   9.173
  198    HE2  LYS  27           1HE      LYS  27  -3.905  -2.325  10.198
  199    HE3  LYS  27           2HE      LYS  27  -3.233  -3.949  10.062
  200    HZ1  LYS  27           3HZ      LYS  27  -2.670  -1.905  11.984
  201    HZ2  LYS  27           1HZ      LYS  27  -1.261  -2.521  11.280
  202    HZ3  LYS  27           2HZ      LYS  27  -2.346  -3.564  12.050
  203    H    LEU  28           H        LEU  28   1.501   1.708   8.916
  204    HA   LEU  28           HA       LEU  28   1.885   2.506  11.654
  205    HB2  LEU  28           1HB      LEU  28   3.675   1.334  10.654
  206    HB3  LEU  28           2HB      LEU  28   3.678   2.393   9.246
  207    HG   LEU  28           HG       LEU  28   4.496   4.234  10.710
  208   HD11  LEU  28          1HD1      LEU  28   3.712   3.491  12.850
  209   HD12  LEU  28          2HD1      LEU  28   5.472   3.575  12.896
  210   HD13  LEU  28          3HD1      LEU  28   4.668   2.014  12.740
  211   HD21  LEU  28          3HD2      LEU  28   5.941   2.597   9.351
  212   HD22  LEU  28          1HD2      LEU  28   6.351   1.888  10.913
  213   HD23  LEU  28          2HD2      LEU  28   6.729   3.579  10.587
  214    H    ASP  29           H        ASP  29   2.512   4.180   8.563
  215    HA   ASP  29           HA       ASP  29   2.288   6.744   9.941
  216    HB2  ASP  29           1HB      ASP  29   3.460   5.820   7.364
  217    HB3  ASP  29           2HB      ASP  29   2.882   7.482   7.446
  218    H    LYS  30           H        LYS  30   0.931   5.128   7.073
  219    HA   LYS  30           HA       LYS  30  -1.029   7.136   6.601
  220    HB2  LYS  30           1HB      LYS  30  -0.270   4.555   5.446
  221    HB3  LYS  30           2HB      LYS  30  -2.002   4.857   5.393
  222    HG2  LYS  30           1HG      LYS  30  -0.167   7.017   4.501
  223    HG3  LYS  30           2HG      LYS  30  -0.409   5.622   3.446
  224    HD2  LYS  30           1HD      LYS  30  -2.106   6.960   2.704
  225    HD3  LYS  30           2HD      LYS  30  -2.952   6.103   3.994
  226    HE2  LYS  30           1HE      LYS  30  -2.956   7.930   5.387
  227    HE3  LYS  30           2HE      LYS  30  -1.518   8.631   4.648
  228    HZ1  LYS  30           3HZ      LYS  30  -3.014   9.994   3.708
  229    HZ2  LYS  30           1HZ      LYS  30  -4.305   8.920   3.909
  230    HZ3  LYS  30           2HZ      LYS  30  -3.237   8.725   2.613
  231    H    HIS  31           H        HIS  31  -0.781   4.766   8.953
  232    HA   HIS  31           HA       HIS  31  -2.222   3.839  10.456
  233    HB2  HIS  31           1HB      HIS  31  -2.579   6.454  10.602
  234    HB3  HIS  31           2HB      HIS  31  -4.174   6.051   9.972
  235    HD1  HIS  31           HD1      HIS  31  -3.393   7.131  12.916
  236    HD2  HIS  31           HD2      HIS  31  -4.483   3.266  11.850
  237    HE1  HIS  31           HE1      HIS  31  -4.271   6.075  15.022
  238    H    ALA  32           H        ALA  32  -2.589   3.239   7.558
  239    HA   ALA  32           HA       ALA  32  -5.307   2.999   6.910
  240    HB1  ALA  32           3HB      ALA  32  -3.386   2.748   5.330
  241    HB2  ALA  32           1HB      ALA  32  -3.108   1.145   6.012
  242    HB3  ALA  32           2HB      ALA  32  -4.624   1.501   5.182
  243    H    ARG  33           H        ARG  33  -5.719   0.331   6.277
  244    HA   ARG  33           HA       ARG  33  -5.689  -1.042   8.875
  245    HB2  ARG  33           1HB      ARG  33  -8.081  -1.048   7.038
  246    HB3  ARG  33           2HB      ARG  33  -7.981  -1.677   8.677
  247    HG2  ARG  33           1HG      ARG  33  -7.369   0.863   9.185
  248    HG3  ARG  33           2HG      ARG  33  -8.331   1.100   7.725
  249    HD2  ARG  33           1HD      ARG  33  -9.921   1.220   9.406
  250    HD3  ARG  33           2HD      ARG  33 -10.037  -0.460   8.883
  251    HE   ARG  33           HE       ARG  33  -9.293  -1.115  10.945
  252   HH11  ARG  33          1HH1      ARG  33  -8.618   2.273  10.514
  253   HH12  ARG  33          2HH1      ARG  33  -8.105   2.513  12.151
  254   HH21  ARG  33          1HH2      ARG  33  -8.619  -0.812  13.103
  255   HH22  ARG  33          2HH2      ARG  33  -8.105   0.757  13.623
  256    H    SER  34           H        SER  34  -6.177  -1.327   5.379
  257    HA   SER  34           HA       SER  34  -5.106  -4.068   5.541
  258    HB2  SER  34           1HB      SER  34  -7.415  -2.988   3.961
  259    HB3  SER  34           2HB      SER  34  -6.496  -4.357   3.338
  260    HG   SER  34           HG       SER  34  -8.226  -4.210   5.490
  261    H    GLY  35           H        GLY  35  -3.517  -1.764   5.223
  262    HA2  GLY  35           1HA      GLY  35  -2.917  -0.938   2.665
  263    HA3  GLY  35           2HA      GLY  35  -1.724  -1.102   3.946
  264    H    GLU  36           H        GLU  36  -2.448  -2.021   0.881
  265    HA   GLU  36           HA       GLU  36  -0.480  -4.152   0.959
  266    HB2  GLU  36           1HB      GLU  36  -2.959  -5.030   1.243
  267    HB3  GLU  36           2HB      GLU  36  -3.004  -4.798  -0.499
  268    HG2  GLU  36           1HG      GLU  36  -1.243  -6.347  -0.840
  269    HG3  GLU  36           2HG      GLU  36  -0.889  -6.421   0.885
  270    H    CYS  37           H        CYS  37   0.058  -4.906  -1.292
  271    HA   CYS  37           HA       CYS  37  -0.022  -2.595  -3.102
  272    HB2  CYS  37           1HB      CYS  37   2.001  -3.393  -4.071
  273    HB3  CYS  37           2HB      CYS  37   2.200  -3.528  -2.326
  274    H    PHE  38           H        PHE  38  -0.405  -2.893  -5.341
  275    HA   PHE  38           HA       PHE  38  -1.208  -5.423  -6.400
  276    HB2  PHE  38           1HB      PHE  38  -3.250  -3.550  -5.354
  277    HB3  PHE  38           2HB      PHE  38  -3.574  -4.238  -6.942
  278    HD1  PHE  38           HD1      PHE  38  -2.879  -6.908  -6.947
  279    HD2  PHE  38           HD2      PHE  38  -4.307  -4.633  -3.645
  280    HE1  PHE  38           HE1      PHE  38  -3.702  -8.970  -5.886
  281    HE2  PHE  38           HE2      PHE  38  -5.131  -6.691  -2.579
  282    HZ   PHE  38           HZ       PHE  38  -4.829  -8.863  -3.698
  283    H    TYR  39           H        TYR  39  -1.921  -5.252  -8.665
  284    HA   TYR  39           HA       TYR  39  -0.297  -3.437 -10.104
  285    HB2  TYR  39           1HB      TYR  39  -1.299  -4.413 -12.103
  286    HB3  TYR  39           2HB      TYR  39  -0.886  -5.676 -10.949
  287    HD1  TYR  39           HD2      TYR  39  -3.642  -3.834 -12.532
  288    HD2  TYR  39           HD1      TYR  39  -2.599  -6.999  -9.887
  289    HE1  TYR  39           HE2      TYR  39  -5.952  -4.674 -12.636
  290    HE2  TYR  39           HE1      TYR  39  -4.905  -7.849  -9.984
  291    HH   TYR  39           HH       TYR  39  -7.333  -6.337 -12.077
  292    H    ASP  40           H        ASP  40  -0.779  -1.603 -11.235
  293    HA   ASP  40           HA       ASP  40  -3.380  -0.378 -10.632
  294    HB2  ASP  40           1HB      ASP  40  -2.186   1.758 -11.328
  295    HB3  ASP  40           2HB      ASP  40  -1.618   1.000  -9.843
  296    H    GLU  41           H        GLU  41  -3.745   1.468 -12.478
  297    HA   GLU  41           HA       GLU  41  -4.630   0.032 -14.736
  298    HB2  GLU  41           1HB      GLU  41  -5.367   2.135 -15.606
  299    HB3  GLU  41           2HB      GLU  41  -5.629   2.161 -13.867
  300    HG2  GLU  41           1HG      GLU  41  -3.484   3.414 -13.640
  301    HG3  GLU  41           2HG      GLU  41  -3.427   3.518 -15.398
  302    H    LYS  42           H        LYS  42  -1.619   1.480 -13.972
  303    HA   LYS  42           HA       LYS  42  -0.763   1.557 -16.764
  304    HB2  LYS  42           1HB      LYS  42   0.418   2.547 -14.186
  305    HB3  LYS  42           2HB      LYS  42   1.419   2.383 -15.623
  306    HG2  LYS  42           1HG      LYS  42   0.038   3.941 -16.825
  307    HG3  LYS  42           2HG      LYS  42  -1.104   4.021 -15.482
  308    HD2  LYS  42           1HD      LYS  42   0.113   5.894 -15.030
  309    HD3  LYS  42           2HD      LYS  42   1.093   4.712 -14.158
  310    HE2  LYS  42           1HE      LYS  42   1.667   5.292 -17.033
  311    HE3  LYS  42           2HE      LYS  42   2.223   6.409 -15.788
  312    HZ1  LYS  42           3HZ      LYS  42   3.008   3.605 -16.239
  313    HZ2  LYS  42           1HZ      LYS  42   3.174   4.297 -14.704
  314    HZ3  LYS  42           2HZ      LYS  42   3.990   4.966 -16.026
  315    H    ARG  43           H        ARG  43  -1.320  -0.941 -15.178
  316    HA   ARG  43           HA       ARG  43  -0.433  -3.014 -14.844
  317    HB2  ARG  43           1HB      ARG  43   1.183  -2.023 -17.187
  318    HB3  ARG  43           2HB      ARG  43   1.344  -3.658 -16.560
  319    HG2  ARG  43           1HG      ARG  43  -0.171  -3.985 -18.238
  320    HG3  ARG  43           2HG      ARG  43  -1.252  -3.711 -16.871
  321    HD2  ARG  43           1HD      ARG  43  -1.966  -2.449 -18.838
  322    HD3  ARG  43           2HD      ARG  43  -1.499  -1.375 -17.520
  323    HE   ARG  43           HE       ARG  43   0.198  -0.570 -18.826
  324   HH11  ARG  43          1HH1      ARG  43  -0.971  -3.553 -20.188
  325   HH12  ARG  43          2HH1      ARG  43  -0.032  -3.412 -21.637
  326   HH21  ARG  43          1HH2      ARG  43   1.440  -0.373 -20.729
  327   HH22  ARG  43          2HH2      ARG  43   1.340  -1.603 -21.944
  328    H    ASN  44           H        ASN  44   0.692  -0.799 -13.293
  329    HA   ASN  44           HA       ASN  44   3.419  -1.808 -12.836
  330    HB2  ASN  44           1HB      ASN  44   2.178   0.883 -12.602
  331    HB3  ASN  44           2HB      ASN  44   3.408   0.466 -11.414
  332   HD21  ASN  44          2HD2      ASN  44   4.628   2.195 -12.372
  333   HD22  ASN  44          1HD2      ASN  44   5.541   1.905 -13.810
  334    H    LEU  45           H        LEU  45   4.123  -2.177 -10.691
  335    HA   LEU  45           HA       LEU  45   1.932  -2.878  -8.872
  336    HB2  LEU  45           1HB      LEU  45   4.779  -3.692  -8.468
  337    HB3  LEU  45           2HB      LEU  45   3.304  -4.496  -7.935
  338    HG   LEU  45           HG       LEU  45   4.214  -4.365 -10.807
  339   HD11  LEU  45          1HD1      LEU  45   4.887  -6.224  -8.602
  340   HD12  LEU  45          2HD1      LEU  45   5.830  -5.744 -10.013
  341   HD13  LEU  45          3HD1      LEU  45   4.534  -6.929 -10.180
  342   HD21  LEU  45          3HD2      LEU  45   2.561  -6.551 -10.397
  343   HD22  LEU  45          1HD2      LEU  45   2.128  -5.038 -11.193
  344   HD23  LEU  45          2HD2      LEU  45   1.801  -5.254  -9.473
  345    H    GLN  46           H        GLN  46   1.529  -1.609  -7.196
  346    HA   GLN  46           HA       GLN  46   3.746  -0.213  -5.887
  347    HB2  GLN  46           1HB      GLN  46   1.139   1.164  -6.533
  348    HB3  GLN  46           2HB      GLN  46   2.579   1.881  -5.822
  349    HG2  GLN  46           1HG      GLN  46   2.383   0.774  -8.614
  350    HG3  GLN  46           2HG      GLN  46   2.293   2.480  -8.179
  351   HE21  GLN  46          2HE2      GLN  46   4.129   2.048  -9.922
  352   HE22  GLN  46          1HE2      GLN  46   5.717   1.981  -9.246
  353    H    CYS  47           H        CYS  47   3.164   0.607  -3.727
  354    HA   CYS  47           HA       CYS  47   1.380  -1.288  -2.399
  355    HB2  CYS  47           1HB      CYS  47   3.760  -0.891  -1.622
  356    HB3  CYS  47           2HB      CYS  47   3.238   0.708  -1.101
  357    H    ILE  48           H        ILE  48  -0.669  -0.668  -2.212
  358    HA   ILE  48           HA       ILE  48  -1.283   2.172  -1.826
  359    HB   ILE  48           HB       ILE  48  -3.183  -0.091  -2.446
  360   HG12  ILE  48          1HG1      ILE  48  -3.139   1.467  -4.674
  361   HG13  ILE  48          2HG1      ILE  48  -1.463   1.600  -4.151
  362   HG21  ILE  48          1HG2      ILE  48  -4.241   1.796  -1.324
  363   HG22  ILE  48          2HG2      ILE  48  -3.562   2.900  -2.519
  364   HG23  ILE  48          3HG2      ILE  48  -4.756   1.698  -3.007
  365   HD11  ILE  48          3HD1      ILE  48  -2.101  -1.114  -3.967
  366   HD12  ILE  48          1HD1      ILE  48  -2.787  -0.555  -5.492
  367   HD13  ILE  48          2HD1      ILE  48  -1.070  -0.325  -5.160
  368    H    CYS  49           H        CYS  49  -2.489   2.917  -0.102
  369    HA   CYS  49           HA       CYS  49  -2.872   1.002   2.107
  370    HB2  CYS  49           1HB      CYS  49  -2.357   3.955   2.450
  371    HB3  CYS  49           2HB      CYS  49  -2.282   2.692   3.674
  372    H    ASP  50           H        ASP  50  -4.858   0.823   2.928
  373    HA   ASP  50           HA       ASP  50  -6.898   2.734   2.013
  374    HB2  ASP  50           1HB      ASP  50  -6.877  -0.001   1.803
  375    HB3  ASP  50           2HB      ASP  50  -7.830   0.245   3.265
  376    H    TYR  51           H        TYR  51  -7.266   4.258   3.486
  377    HA   TYR  51           HA       TYR  51  -7.187   3.545   6.331
  378    HB2  TYR  51           1HB      TYR  51  -5.774   5.408   5.828
  379    HB3  TYR  51           2HB      TYR  51  -7.044   6.204   4.906
  380    HD1  TYR  51           HD2      TYR  51  -7.272   4.603   8.258
  381    HD2  TYR  51           HD1      TYR  51  -7.356   8.228   6.032
  382    HE1  TYR  51           HE2      TYR  51  -7.969   5.820  10.278
  383    HE2  TYR  51           HE1      TYR  51  -8.052   9.456   8.047
  384    HH   TYR  51           HH       TYR  51  -9.225   8.915  10.219
  385    H    CYS  52           H        CYS  52  -8.998   3.372   7.470
  386    HA   CYS  52           HA       CYS  52 -11.399   4.803   6.599
  387    HB2  CYS  52           1HB      CYS  52 -11.322   2.374   5.738
  388    HB3  CYS  52           2HB      CYS  52 -11.572   1.912   7.419
  389    H    GLU  53           H        GLU  53 -12.872   5.272   8.244
  390    HA   GLU  53           HA       GLU  53 -11.772   4.971  10.951
  391    HB2  GLU  53           1HB      GLU  53 -13.782   6.939   9.845
  392    HB3  GLU  53           2HB      GLU  53 -13.298   6.856  11.533
  393    HG2  GLU  53           1HG      GLU  53 -11.167   7.650  11.098
  394    HG3  GLU  53           2HG      GLU  53 -11.249   7.223   9.390
  395    H    TYR  54           H        TYR  54 -12.574   3.183  11.870
  396    HA   TYR  54           HA       TYR  54 -15.085   2.042  11.288
  397    HB2  TYR  54           1HB      TYR  54 -14.672   0.615  13.250
  398    HB3  TYR  54           2HB      TYR  54 -13.247   0.729  12.223
  399    HD1  TYR  54           HD1      TYR  54 -14.729   1.757  15.430
  400    HD2  TYR  54           HD2      TYR  54 -11.230   1.768  13.010
  401    HE1  TYR  54           HE1      TYR  54 -13.397   2.468  17.371
  402    HE2  TYR  54           HE2      TYR  54  -9.887   2.478  14.945
  403    HH   TYR  54           HH       TYR  54 -10.895   3.864  17.473
  Start of MODEL    3
    1    H1   ASP   2           H        ASP   2 -18.036   4.376   4.974
    2    HA   ASP   2           HA       ASP   2 -16.717   5.582   2.731
    3    HB2  ASP   2           1HB      ASP   2 -18.455   6.728   4.135
    4    HB3  ASP   2           2HB      ASP   2 -17.272   6.805   5.438
    5    H    CYS   3           H        CYS   3 -14.633   5.053   2.433
    6    HA   CYS   3           HA       CYS   3 -12.769   5.651   4.618
    7    HB2  CYS   3           1HB      CYS   3 -12.382   3.254   2.832
    8    HB3  CYS   3           2HB      CYS   3 -11.526   3.655   4.317
    9    H    LYS   4           H        LYS   4 -10.433   5.609   3.704
   10    HA   LYS   4           HA       LYS   4 -10.450   6.884   1.046
   11    HB2  LYS   4           1HB      LYS   4  -8.409   8.155   1.962
   12    HB3  LYS   4           2HB      LYS   4 -10.004   8.655   2.511
   13    HG2  LYS   4           1HG      LYS   4  -9.706   7.493   4.596
   14    HG3  LYS   4           2HG      LYS   4  -8.169   6.824   4.043
   15    HD2  LYS   4           1HD      LYS   4  -7.802   8.719   5.530
   16    HD3  LYS   4           2HD      LYS   4  -7.243   9.091   3.898
   17    HE2  LYS   4           1HE      LYS   4  -9.176  10.418   3.461
   18    HE3  LYS   4           2HE      LYS   4  -9.953   9.880   4.950
   19    HZ1  LYS   4           3HZ      LYS   4  -9.143  11.832   5.693
   20    HZ2  LYS   4           1HZ      LYS   4  -7.892  11.895   4.555
   21    HZ3  LYS   4           2HZ      LYS   4  -7.732  10.929   5.935
   22    H    ARG   5           H        ARG   5  -8.658   6.522  -0.300
   23    HA   ARG   5           HA       ARG   5  -6.644   4.606   0.576
   24    HB2  ARG   5           1HB      ARG   5  -7.024   3.210  -1.466
   25    HB3  ARG   5           2HB      ARG   5  -8.321   3.126  -0.281
   26    HG2  ARG   5           1HG      ARG   5  -9.486   3.310  -2.251
   27    HG3  ARG   5           2HG      ARG   5  -9.405   4.993  -1.726
   28    HD2  ARG   5           1HD      ARG   5  -8.151   5.592  -3.481
   29    HD3  ARG   5           2HD      ARG   5  -7.114   4.173  -3.334
   30    HE   ARG   5           HE       ARG   5  -9.609   3.397  -4.374
   31   HH11  ARG   5          1HH1      ARG   5  -6.752   5.173  -5.270
   32   HH12  ARG   5          2HH1      ARG   5  -6.912   4.830  -6.962
   33   HH21  ARG   5          1HH2      ARG   5  -9.830   2.940  -6.597
   34   HH22  ARG   5          2HH2      ARG   5  -8.663   3.561  -7.715
   35    H    LYS   6           H        LYS   6  -4.724   4.724  -0.556
   36    HA   LYS   6           HA       LYS   6  -4.504   6.267  -2.976
   37    HB2  LYS   6           1HB      LYS   6  -4.568   8.043  -1.266
   38    HB3  LYS   6           2HB      LYS   6  -3.205   7.293  -0.445
   39    HG2  LYS   6           1HG      LYS   6  -1.700   7.946  -2.055
   40    HG3  LYS   6           2HG      LYS   6  -2.936   8.079  -3.308
   41    HD2  LYS   6           1HD      LYS   6  -3.702  10.135  -2.492
   42    HD3  LYS   6           2HD      LYS   6  -2.922   9.905  -0.926
   43    HE2  LYS   6           1HE      LYS   6  -1.361  10.156  -3.483
   44    HE3  LYS   6           2HE      LYS   6  -1.841  11.561  -2.532
   45    HZ1  LYS   6           3HZ      LYS   6  -0.687  10.501  -0.615
   46    HZ2  LYS   6           1HZ      LYS   6   0.342  10.953  -1.879
   47    HZ3  LYS   6           2HZ      LYS   6  -0.085   9.330  -1.676
   48    H    VAL   7           H        VAL   7  -2.443   6.090  -3.968
   49    HA   VAL   7           HA       VAL   7  -0.878   3.824  -2.946
   50    HB   VAL   7           HB       VAL   7  -1.736   3.483  -5.183
   51   HG11  VAL   7          1HG1      VAL   7  -2.069   5.731  -5.925
   52   HG12  VAL   7          2HG1      VAL   7  -0.341   6.074  -5.835
   53   HG13  VAL   7          3HG1      VAL   7  -0.957   4.950  -7.047
   54   HG21  VAL   7          3HG2      VAL   7   0.381   3.070  -6.379
   55   HG22  VAL   7          1HG2      VAL   7   1.228   4.042  -5.175
   56   HG23  VAL   7          2HG2      VAL   7   0.442   2.537  -4.699
   57    H    TYR   8           H        TYR   8   1.290   3.965  -2.574
   58    HA   TYR   8           HA       TYR   8   2.473   6.656  -2.779
   59    HB2  TYR   8           1HB      TYR   8   2.159   5.028  -0.530
   60    HB3  TYR   8           2HB      TYR   8   3.858   4.872  -0.956
   61    HD1  TYR   8           HD2      TYR   8   4.731   7.416  -1.826
   62    HD2  TYR   8           HD1      TYR   8   1.870   6.526   1.195
   63    HE1  TYR   8           HE2      TYR   8   5.203   9.577  -0.750
   64    HE2  TYR   8           HE1      TYR   8   2.334   8.684   2.278
   65    HH   TYR   8           HH       TYR   8   4.255  10.326   2.363
   66    H    GLU   9           H        GLU   9   3.361   6.406  -4.825
   67    HA   GLU   9           HA       GLU   9   4.914   4.158  -5.599
   68    HB2  GLU   9           1HB      GLU   9   5.553   5.494  -7.530
   69    HB3  GLU   9           2HB      GLU   9   3.829   5.653  -7.226
   70    HG2  GLU   9           1HG      GLU   9   4.336   7.794  -6.026
   71    HG3  GLU   9           2HG      GLU   9   5.990   7.650  -6.617
   72    H    ASN  10           H        ASN  10   5.555   6.755  -3.541
   73    HA   ASN  10           HA       ASN  10   8.305   7.174  -4.035
   74    HB2  ASN  10           1HB      ASN  10   6.687   8.607  -2.641
   75    HB3  ASN  10           2HB      ASN  10   7.005   7.471  -1.333
   76   HD21  ASN  10          2HD2      ASN  10   8.780   7.727  -0.139
   77   HD22  ASN  10          1HD2      ASN  10  10.035   8.870  -0.458
   78    H    TYR  11           H        TYR  11   6.597   4.605  -2.561
   79    HA   TYR  11           HA       TYR  11   8.871   3.666  -1.017
   80    HB2  TYR  11           1HB      TYR  11   6.018   3.135  -1.091
   81    HB3  TYR  11           2HB      TYR  11   6.948   1.640  -1.076
   82    HD1  TYR  11           HD2      TYR  11   7.732   4.892   0.557
   83    HD2  TYR  11           HD1      TYR  11   6.656   0.810   1.086
   84    HE1  TYR  11           HE2      TYR  11   8.061   5.125   2.984
   85    HE2  TYR  11           HE1      TYR  11   6.980   1.032   3.514
   86    HH   TYR  11           HH       TYR  11   8.422   3.854   4.924
   87    HA   PRO  12           HA       PRO  12  10.580   0.975  -4.033
   88    HB2  PRO  12           1HB      PRO  12  11.432  -1.086  -2.485
   89    HB3  PRO  12           2HB      PRO  12  12.223   0.494  -2.500
   90    HG2  PRO  12           1HG      PRO  12  10.253  -0.617  -0.540
   91    HG3  PRO  12           2HG      PRO  12  11.734   0.309  -0.235
   92    HD2  PRO  12           1HD      PRO  12   9.272   1.436  -0.176
   93    HD3  PRO  12           2HD      PRO  12  10.717   2.325  -0.697
   94    H    VAL  13           H        VAL  13   9.881  -0.562  -5.408
   95    HA   VAL  13           HA       VAL  13   7.358  -1.797  -5.006
   96    HB   VAL  13           HB       VAL  13   8.299  -1.149  -7.237
   97   HG11  VAL  13          1HG1      VAL  13  10.567  -2.103  -6.796
   98   HG12  VAL  13          2HG1      VAL  13   9.871  -3.710  -7.009
   99   HG13  VAL  13          3HG1      VAL  13   9.871  -2.563  -8.349
  100   HG21  VAL  13          3HG2      VAL  13   6.407  -2.838  -6.775
  101   HG22  VAL  13          1HG2      VAL  13   7.121  -2.795  -8.388
  102   HG23  VAL  13          2HG2      VAL  13   7.586  -4.061  -7.250
  103    H    SER  14           H        SER  14  10.653  -2.824  -4.525
  104    HA   SER  14           HA       SER  14  10.383  -5.583  -4.526
  105    HB2  SER  14           1HB      SER  14  12.101  -4.121  -2.525
  106    HB3  SER  14           2HB      SER  14  12.410  -5.670  -3.307
  107    HG   SER  14           HG       SER  14  12.907  -3.122  -4.193
  108    H    LYS  15           H        LYS  15   9.341  -3.242  -2.175
  109    HA   LYS  15           HA       LYS  15   8.965  -5.030  -0.002
  110    HB2  LYS  15           1HB      LYS  15   8.283  -2.237  -0.637
  111    HB3  LYS  15           2HB      LYS  15   7.163  -3.032   0.462
  112    HG2  LYS  15           1HG      LYS  15   8.949  -1.816   1.632
  113    HG3  LYS  15           2HG      LYS  15   8.953  -3.545   1.991
  114    HD2  LYS  15           1HD      LYS  15  10.952  -3.879   0.988
  115    HD3  LYS  15           2HD      LYS  15  10.627  -2.702  -0.288
  116    HE2  LYS  15           1HE      LYS  15  12.304  -1.647   0.880
  117    HE3  LYS  15           2HE      LYS  15  10.872  -0.970   1.652
  118    HZ1  LYS  15           3HZ      LYS  15  12.349  -3.317   2.704
  119    HZ2  LYS  15           1HZ      LYS  15  11.119  -2.449   3.476
  120    HZ3  LYS  15           2HZ      LYS  15  12.627  -1.729   3.216
  121    H    CYS  16           H        CYS  16   7.048  -4.151  -2.776
  122    HA   CYS  16           HA       CYS  16   4.508  -4.903  -1.985
  123    HB2  CYS  16           1HB      CYS  16   4.919  -3.853  -4.135
  124    HB3  CYS  16           2HB      CYS  16   5.832  -5.255  -4.681
  125    H    GLN  17           H        GLN  17   7.257  -6.893  -2.789
  126    HA   GLN  17           HA       GLN  17   5.993  -9.333  -3.265
  127    HB2  GLN  17           1HB      GLN  17   8.638  -8.931  -1.862
  128    HB3  GLN  17           2HB      GLN  17   8.109 -10.376  -2.712
  129    HG2  GLN  17           1HG      GLN  17   8.004  -8.996  -4.799
  130    HG3  GLN  17           2HG      GLN  17   8.775  -7.695  -3.893
  131   HE21  GLN  17          2HE2      GLN  17  10.927  -7.784  -3.478
  132   HE22  GLN  17          1HE2      GLN  17  11.973  -9.018  -4.085
  133    H    LEU  18           H        LEU  18   6.412  -7.564  -0.336
  134    HA   LEU  18           HA       LEU  18   5.539  -9.887   1.245
  135    HB2  LEU  18           1HB      LEU  18   6.739  -7.290   2.193
  136    HB3  LEU  18           2HB      LEU  18   6.331  -8.677   3.200
  137    HG   LEU  18           HG       LEU  18   8.374  -8.836   0.999
  138   HD11  LEU  18          1HD1      LEU  18   9.360  -7.211   2.310
  139   HD12  LEU  18          2HD1      LEU  18   9.982  -8.697   3.028
  140   HD13  LEU  18          3HD1      LEU  18   8.652  -7.835   3.801
  141   HD21  LEU  18          3HD2      LEU  18   8.479 -10.971   1.587
  142   HD22  LEU  18          1HD2      LEU  18   7.174 -10.713   2.744
  143   HD23  LEU  18          2HD2      LEU  18   8.852 -10.512   3.248
  144    H    ALA  19           H        ALA  19   3.622  -9.875   2.280
  145    HA   ALA  19           HA       ALA  19   1.801  -7.684   1.702
  146    HB1  ALA  19           3HB      ALA  19   1.531 -10.517   2.470
  147    HB2  ALA  19           1HB      ALA  19   0.285  -9.428   3.080
  148    HB3  ALA  19           2HB      ALA  19   0.581  -9.548   1.345
  149    H    ASN  20           H        ASN  20   3.415  -9.164   4.442
  150    HA   ASN  20           HA       ASN  20   1.937  -7.713   6.422
  151    HB2  ASN  20           1HB      ASN  20   4.558  -9.213   6.618
  152    HB3  ASN  20           2HB      ASN  20   3.650  -8.583   7.990
  153   HD21  ASN  20          2HD2      ASN  20   4.158 -11.211   5.998
  154   HD22  ASN  20          1HD2      ASN  20   2.779 -12.151   6.445
  155    H    GLN  21           H        GLN  21   4.625  -7.038   4.403
  156    HA   GLN  21           HA       GLN  21   5.774  -5.001   6.080
  157    HB2  GLN  21           1HB      GLN  21   7.170  -6.250   4.503
  158    HB3  GLN  21           2HB      GLN  21   6.220  -5.634   3.157
  159    HG2  GLN  21           1HG      GLN  21   8.474  -4.534   3.664
  160    HG3  GLN  21           2HG      GLN  21   7.084  -3.493   3.359
  161   HE21  GLN  21          2HE2      GLN  21   8.607  -5.159   6.100
  162   HE22  GLN  21          1HE2      GLN  21   8.494  -3.825   7.193
  163    H    CYS  22           H        CYS  22   3.670  -5.100   3.240
  164    HA   CYS  22           HA       CYS  22   3.554  -2.343   2.747
  165    HB2  CYS  22           1HB      CYS  22   2.146  -4.722   1.875
  166    HB3  CYS  22           2HB      CYS  22   1.044  -3.362   2.056
  167    H    ASN  23           H        ASN  23   1.065  -4.341   4.346
  168    HA   ASN  23           HA       ASN  23  -0.486  -2.240   5.299
  169    HB2  ASN  23           1HB      ASN  23  -1.667  -3.825   6.504
  170    HB3  ASN  23           2HB      ASN  23  -0.888  -4.835   5.290
  171   HD21  ASN  23          2HD2      ASN  23  -1.702  -4.834   8.367
  172   HD22  ASN  23          1HD2      ASN  23  -0.408  -5.746   9.058
  173    H    TYR  24           H        TYR  24   2.478  -3.580   6.525
  174    HA   TYR  24           HA       TYR  24   2.323  -2.534   9.154
  175    HB2  TYR  24           1HB      TYR  24   3.874  -4.296   8.766
  176    HB3  TYR  24           2HB      TYR  24   4.641  -3.426   7.442
  177    HD1  TYR  24           HD1      TYR  24   4.177  -3.449  11.119
  178    HD2  TYR  24           HD2      TYR  24   6.433  -1.939   7.843
  179    HE1  TYR  24           HE1      TYR  24   5.835  -2.538  12.689
  180    HE2  TYR  24           HE2      TYR  24   8.099  -1.024   9.404
  181    HH   TYR  24           HH       TYR  24   8.203  -1.871  12.685
  182    H    ASP  25           H        ASP  25   3.946  -1.368   6.212
  183    HA   ASP  25           HA       ASP  25   4.847   1.054   7.429
  184    HB2  ASP  25           1HB      ASP  25   5.834   1.546   5.394
  185    HB3  ASP  25           2HB      ASP  25   5.739  -0.212   5.311
  186    H    CYS  26           H        CYS  26   1.971   0.059   5.747
  187    HA   CYS  26           HA       CYS  26   1.025   2.708   5.193
  188    HB2  CYS  26           1HB      CYS  26  -0.290  -0.008   5.142
  189    HB3  CYS  26           2HB      CYS  26  -1.165   1.475   4.770
  190    H    LYS  27           H        LYS  27  -0.009   0.181   7.487
  191    HA   LYS  27           HA       LYS  27  -1.814   1.850   8.887
  192    HB2  LYS  27           1HB      LYS  27  -0.428  -0.668   9.824
  193    HB3  LYS  27           2HB      LYS  27  -1.833   0.071  10.581
  194    HG2  LYS  27           1HG      LYS  27  -3.259  -0.610   8.921
  195    HG3  LYS  27           2HG      LYS  27  -1.980  -0.692   7.707
  196    HD2  LYS  27           1HD      LYS  27  -2.448  -2.929   8.123
  197    HD3  LYS  27           2HD      LYS  27  -1.050  -2.622   9.157
  198    HE2  LYS  27           1HE      LYS  27  -3.809  -2.253  10.242
  199    HE3  LYS  27           2HE      LYS  27  -3.140  -3.877  10.100
  200    HZ1  LYS  27           3HZ      LYS  27  -2.228  -1.643  11.787
  201    HZ2  LYS  27           1HZ      LYS  27  -1.136  -2.850  11.325
  202    HZ3  LYS  27           2HZ      LYS  27  -2.518  -3.254  12.213
  203    H    LEU  28           H        LEU  28   1.547   1.783   8.832
  204    HA   LEU  28           HA       LEU  28   1.998   2.572  11.562
  205    HB2  LEU  28           1HB      LEU  28   3.779   1.423  10.554
  206    HB3  LEU  28           2HB      LEU  28   3.716   2.427   9.107
  207    HG   LEU  28           HG       LEU  28   4.664   4.296  10.327
  208   HD11  LEU  28          1HD1      LEU  28   4.011   4.271  12.504
  209   HD12  LEU  28          2HD1      LEU  28   5.610   3.549  12.689
  210   HD13  LEU  28          3HD1      LEU  28   4.178   2.521  12.654
  211   HD21  LEU  28          3HD2      LEU  28   6.868   3.162  11.006
  212   HD22  LEU  28          1HD2      LEU  28   6.328   3.002   9.334
  213   HD23  LEU  28          2HD2      LEU  28   6.100   1.668  10.465
  214    H    ASP  29           H        ASP  29   2.536   4.258   8.461
  215    HA   ASP  29           HA       ASP  29   2.342   6.817   9.855
  216    HB2  ASP  29           1HB      ASP  29   3.521   5.881   7.305
  217    HB3  ASP  29           2HB      ASP  29   2.847   7.508   7.291
  218    H    LYS  30           H        LYS  30   0.936   5.224   6.996
  219    HA   LYS  30           HA       LYS  30  -1.047   7.225   6.593
  220    HB2  LYS  30           1HB      LYS  30  -1.255   4.387   5.616
  221    HB3  LYS  30           2HB      LYS  30  -1.881   5.848   4.866
  222    HG2  LYS  30           1HG      LYS  30   1.003   5.010   5.071
  223    HG3  LYS  30           2HG      LYS  30   0.007   5.068   3.614
  224    HD2  LYS  30           1HD      LYS  30   0.790   7.440   5.310
  225    HD3  LYS  30           2HD      LYS  30   1.515   6.997   3.763
  226    HE2  LYS  30           1HE      LYS  30  -0.675   7.275   2.681
  227    HE3  LYS  30           2HE      LYS  30  -1.369   7.755   4.228
  228    HZ1  LYS  30           3HZ      LYS  30  -0.678   9.818   3.901
  229    HZ2  LYS  30           1HZ      LYS  30  -0.140   9.384   2.356
  230    HZ3  LYS  30           2HZ      LYS  30   0.921   9.312   3.672
  231    H    HIS  31           H        HIS  31  -0.736   4.821   8.902
  232    HA   HIS  31           HA       HIS  31  -2.143   3.853  10.413
  233    HB2  HIS  31           1HB      HIS  31  -3.430   6.510   9.868
  234    HB3  HIS  31           2HB      HIS  31  -4.181   5.369  10.979
  235    HD1  HIS  31           HD1      HIS  31  -2.280   4.460  12.870
  236    HD2  HIS  31           HD2      HIS  31  -1.800   8.218  11.163
  237    HE1  HIS  31           HE1      HIS  31  -0.769   5.721  14.436
  238    H    ALA  32           H        ALA  32  -2.556   3.279   7.530
  239    HA   ALA  32           HA       ALA  32  -5.280   3.058   6.903
  240    HB1  ALA  32           3HB      ALA  32  -2.887   2.434   5.654
  241    HB2  ALA  32           1HB      ALA  32  -3.704   0.880   5.821
  242    HB3  ALA  32           2HB      ALA  32  -4.507   2.214   4.993
  243    H    ARG  33           H        ARG  33  -5.735   0.402   6.274
  244    HA   ARG  33           HA       ARG  33  -5.703  -0.971   8.874
  245    HB2  ARG  33           1HB      ARG  33  -7.916   0.181   8.334
  246    HB3  ARG  33           2HB      ARG  33  -8.094  -0.996   7.040
  247    HG2  ARG  33           1HG      ARG  33  -7.768  -2.766   8.861
  248    HG3  ARG  33           2HG      ARG  33  -8.072  -1.452  10.000
  249    HD2  ARG  33           1HD      ARG  33 -10.233  -1.982   9.747
  250    HD3  ARG  33           2HD      ARG  33 -10.109  -1.140   8.204
  251    HE   ARG  33           HE       ARG  33  -9.342  -3.864   7.956
  252   HH11  ARG  33          1HH1      ARG  33 -12.114  -1.778   8.241
  253   HH12  ARG  33          2HH1      ARG  33 -13.179  -2.864   7.413
  254   HH21  ARG  33          1HH2      ARG  33 -10.735  -5.303   6.866
  255   HH22  ARG  33          2HH2      ARG  33 -12.395  -4.870   6.632
  256    H    SER  34           H        SER  34  -6.152  -1.250   5.375
  257    HA   SER  34           HA       SER  34  -5.096  -3.995   5.545
  258    HB2  SER  34           1HB      SER  34  -7.557  -3.889   4.992
  259    HB3  SER  34           2HB      SER  34  -7.116  -3.056   3.501
  260    HG   SER  34           HG       SER  34  -7.332  -5.310   3.187
  261    H    GLY  35           H        GLY  35  -3.524  -1.681   5.195
  262    HA2  GLY  35           1HA      GLY  35  -2.955  -0.878   2.621
  263    HA3  GLY  35           2HA      GLY  35  -1.752  -1.010   3.894
  264    H    GLU  36           H        GLU  36  -2.512  -1.997   0.851
  265    HA   GLU  36           HA       GLU  36  -0.504  -4.090   0.936
  266    HB2  GLU  36           1HB      GLU  36  -2.934  -5.029   1.293
  267    HB3  GLU  36           2HB      GLU  36  -3.066  -4.788  -0.444
  268    HG2  GLU  36           1HG      GLU  36  -1.340  -6.322  -0.893
  269    HG3  GLU  36           2HG      GLU  36  -0.823  -6.351   0.792
  270    H    CYS  37           H        CYS  37   0.001  -4.884  -1.313
  271    HA   CYS  37           HA       CYS  37  -0.138  -2.605  -3.161
  272    HB2  CYS  37           1HB      CYS  37   1.873  -3.407  -4.158
  273    HB3  CYS  37           2HB      CYS  37   2.108  -3.493  -2.416
  274    H    PHE  38           H        PHE  38  -0.543  -2.954  -5.393
  275    HA   PHE  38           HA       PHE  38  -1.359  -5.513  -6.376
  276    HB2  PHE  38           1HB      PHE  38  -3.386  -3.589  -5.385
  277    HB3  PHE  38           2HB      PHE  38  -3.723  -4.351  -6.934
  278    HD1  PHE  38           HD1      PHE  38  -3.025  -7.021  -6.813
  279    HD2  PHE  38           HD2      PHE  38  -4.436  -4.585  -3.620
  280    HE1  PHE  38           HE1      PHE  38  -3.841  -9.028  -5.647
  281    HE2  PHE  38           HE2      PHE  38  -5.253  -6.588  -2.449
  282    HZ   PHE  38           HZ       PHE  38  -4.956  -8.814  -3.462
  283    H    TYR  39           H        TYR  39  -1.861  -5.485  -8.634
  284    HA   TYR  39           HA       TYR  39  -0.312  -3.703 -10.132
  285    HB2  TYR  39           1HB      TYR  39  -1.452  -4.691 -12.110
  286    HB3  TYR  39           2HB      TYR  39  -0.854  -5.904 -10.983
  287    HD1  TYR  39           HD2      TYR  39  -3.889  -4.196 -12.209
  288    HD2  TYR  39           HD1      TYR  39  -2.341  -7.410  -9.892
  289    HE1  TYR  39           HE2      TYR  39  -6.135  -5.193 -12.103
  290    HE2  TYR  39           HE1      TYR  39  -4.582  -8.417  -9.780
  291    HH   TYR  39           HH       TYR  39  -6.750  -8.138 -10.229
  292    H    ASP  40           H        ASP  40  -0.798  -1.943 -11.407
  293    HA   ASP  40           HA       ASP  40  -3.323  -0.598 -10.754
  294    HB2  ASP  40           1HB      ASP  40  -0.800   0.362 -10.581
  295    HB3  ASP  40           2HB      ASP  40  -1.213   0.878 -12.214
  296    H    GLU  41           H        GLU  41  -3.694   1.137 -12.740
  297    HA   GLU  41           HA       GLU  41  -4.748  -0.480 -14.828
  298    HB2  GLU  41           1HB      GLU  41  -5.489   1.621 -15.823
  299    HB3  GLU  41           2HB      GLU  41  -5.840   1.594 -14.101
  300    HG2  GLU  41           1HG      GLU  41  -3.565   2.837 -13.894
  301    HG3  GLU  41           2HG      GLU  41  -3.830   3.208 -15.597
  302    H    LYS  42           H        LYS  42  -1.745   1.105 -14.336
  303    HA   LYS  42           HA       LYS  42  -1.059   0.958 -17.180
  304    HB2  LYS  42           1HB      LYS  42   0.407   2.194 -14.843
  305    HB3  LYS  42           2HB      LYS  42   0.998   2.188 -16.500
  306    HG2  LYS  42           1HG      LYS  42  -1.651   3.384 -15.752
  307    HG3  LYS  42           2HG      LYS  42  -0.143   4.300 -15.686
  308    HD2  LYS  42           1HD      LYS  42   0.236   3.815 -18.067
  309    HD3  LYS  42           2HD      LYS  42  -1.293   2.937 -18.123
  310    HE2  LYS  42           1HE      LYS  42  -2.301   5.152 -17.221
  311    HE3  LYS  42           2HE      LYS  42  -0.803   5.873 -17.805
  312    HZ1  LYS  42           3HZ      LYS  42  -2.965   4.596 -19.339
  313    HZ2  LYS  42           1HZ      LYS  42  -1.396   4.629 -19.972
  314    HZ3  LYS  42           2HZ      LYS  42  -2.193   6.076 -19.609
  315    H    ARG  43           H        ARG  43  -1.361  -1.394 -15.386
  316    HA   ARG  43           HA       ARG  43  -0.329  -3.373 -14.937
  317    HB2  ARG  43           1HB      ARG  43   1.308  -2.389 -17.270
  318    HB3  ARG  43           2HB      ARG  43   1.563  -3.969 -16.539
  319    HG2  ARG  43           1HG      ARG  43   0.143  -4.553 -18.212
  320    HG3  ARG  43           2HG      ARG  43  -1.037  -4.184 -16.953
  321    HD2  ARG  43           1HD      ARG  43  -1.710  -3.151 -19.031
  322    HD3  ARG  43           2HD      ARG  43  -1.257  -1.906 -17.868
  323    HE   ARG  43           HE       ARG  43   0.467  -1.293 -19.245
  324   HH11  ARG  43          1HH1      ARG  43  -0.737  -4.408 -20.230
  325   HH12  ARG  43          2HH1      ARG  43   0.207  -4.459 -21.682
  326   HH21  ARG  43          1HH2      ARG  43   1.715  -1.349 -21.154
  327   HH22  ARG  43          2HH2      ARG  43   1.602  -2.719 -22.206
  328    H    ASN  44           H        ASN  44   0.591  -0.896 -13.573
  329    HA   ASN  44           HA       ASN  44   3.355  -1.660 -12.925
  330    HB2  ASN  44           1HB      ASN  44   1.837   0.918 -12.741
  331    HB3  ASN  44           2HB      ASN  44   3.223   0.650 -11.690
  332   HD21  ASN  44          2HD2      ASN  44   3.235   2.692 -13.485
  333   HD22  ASN  44          1HD2      ASN  44   4.368   2.361 -14.748
  334    H    LEU  45           H        LEU  45   3.893  -2.379 -10.942
  335    HA   LEU  45           HA       LEU  45   1.722  -2.882  -9.066
  336    HB2  LEU  45           1HB      LEU  45   4.555  -3.762  -8.677
  337    HB3  LEU  45           2HB      LEU  45   3.069  -4.512  -8.096
  338    HG   LEU  45           HG       LEU  45   3.950  -4.477 -10.982
  339   HD11  LEU  45          1HD1      LEU  45   5.433  -5.774  -9.403
  340   HD12  LEU  45          2HD1      LEU  45   4.701  -6.700 -10.713
  341   HD13  LEU  45          3HD1      LEU  45   4.040  -6.806  -9.083
  342   HD21  LEU  45          3HD2      LEU  45   1.679  -4.797 -11.086
  343   HD22  LEU  45          1HD2      LEU  45   1.606  -5.582  -9.508
  344   HD23  LEU  45          2HD2      LEU  45   2.237  -6.461 -10.901
  345    H    GLN  46           H        GLN  46   1.400  -1.723  -7.286
  346    HA   GLN  46           HA       GLN  46   3.635  -0.321  -6.037
  347    HB2  GLN  46           1HB      GLN  46   1.057   1.136  -6.589
  348    HB3  GLN  46           2HB      GLN  46   2.579   1.803  -6.013
  349    HG2  GLN  46           1HG      GLN  46   3.576   1.152  -8.226
  350    HG3  GLN  46           2HG      GLN  46   1.938   0.792  -8.766
  351   HE21  GLN  46          2HE2      GLN  46   1.585   2.356 -10.216
  352   HE22  GLN  46          1HE2      GLN  46   1.661   4.049  -9.882
  353    H    CYS  47           H        CYS  47   3.092   0.501  -3.872
  354    HA   CYS  47           HA       CYS  47   1.275  -1.352  -2.533
  355    HB2  CYS  47           1HB      CYS  47   3.654  -1.032  -1.760
  356    HB3  CYS  47           2HB      CYS  47   3.206   0.598  -1.268
  357    H    ILE  48           H        ILE  48  -0.758  -0.690  -2.324
  358    HA   ILE  48           HA       ILE  48  -1.308   2.164  -1.934
  359    HB   ILE  48           HB       ILE  48  -3.262  -0.057  -2.540
  360   HG12  ILE  48          1HG1      ILE  48  -3.194   1.509  -4.767
  361   HG13  ILE  48          2HG1      ILE  48  -1.511   1.584  -4.257
  362   HG21  ILE  48          1HG2      ILE  48  -4.826   1.722  -3.040
  363   HG22  ILE  48          2HG2      ILE  48  -4.219   1.901  -1.395
  364   HG23  ILE  48          3HG2      ILE  48  -3.599   2.936  -2.680
  365   HD11  ILE  48          3HD1      ILE  48  -2.298  -1.113  -4.087
  366   HD12  ILE  48          1HD1      ILE  48  -2.881  -0.496  -5.633
  367   HD13  ILE  48          2HD1      ILE  48  -1.171  -0.370  -5.223
  368    H    CYS  49           H        CYS  49  -2.411   2.944  -0.176
  369    HA   CYS  49           HA       CYS  49  -2.864   1.029   2.019
  370    HB2  CYS  49           1HB      CYS  49  -2.201   3.954   2.359
  371    HB3  CYS  49           2HB      CYS  49  -2.200   2.697   3.592
  372    H    ASP  50           H        ASP  50  -4.827   0.971   2.930
  373    HA   ASP  50           HA       ASP  50  -6.754   3.069   2.169
  374    HB2  ASP  50           1HB      ASP  50  -7.127   0.781   1.149
  375    HB3  ASP  50           2HB      ASP  50  -7.448   0.195   2.779
  376    H    TYR  51           H        TYR  51  -7.526   4.220   3.803
  377    HA   TYR  51           HA       TYR  51  -7.406   3.067   6.510
  378    HB2  TYR  51           1HB      TYR  51  -5.916   4.968   6.291
  379    HB3  TYR  51           2HB      TYR  51  -7.216   5.954   5.633
  380    HD1  TYR  51           HD2      TYR  51  -7.336   3.650   8.549
  381    HD2  TYR  51           HD1      TYR  51  -7.410   7.685   7.200
  382    HE1  TYR  51           HE2      TYR  51  -7.915   4.393  10.821
  383    HE2  TYR  51           HE1      TYR  51  -7.987   8.440   9.468
  384    HH   TYR  51           HH       TYR  51  -7.598   7.426  11.899
  385    H    CYS  52           H        CYS  52  -9.291   2.641   7.427
  386    HA   CYS  52           HA       CYS  52 -11.706   3.930   6.365
  387    HB2  CYS  52           1HB      CYS  52 -11.174   1.310   7.712
  388    HB3  CYS  52           2HB      CYS  52 -12.782   2.018   7.815
  389    H    GLU  53           H        GLU  53 -13.508   4.028   8.148
  390    HA   GLU  53           HA       GLU  53 -12.338   5.483  10.421
  391    HB2  GLU  53           1HB      GLU  53 -13.953   6.591   8.706
  392    HB3  GLU  53           2HB      GLU  53 -15.207   5.718   9.574
  393    HG2  GLU  53           1HG      GLU  53 -13.272   7.428  11.069
  394    HG3  GLU  53           2HG      GLU  53 -14.642   8.157  10.232
  395    H    TYR  54           H        TYR  54 -12.169   4.121  12.096
  396    HA   TYR  54           HA       TYR  54 -14.571   2.593  12.856
  397    HB2  TYR  54           1HB      TYR  54 -13.163   0.812  13.700
  398    HB3  TYR  54           2HB      TYR  54 -12.761   1.117  12.014
  399    HD1  TYR  54           HD1      TYR  54 -11.612   1.463  15.489
  400    HD2  TYR  54           HD2      TYR  54 -10.603   1.980  11.388
  401    HE1  TYR  54           HE1      TYR  54  -9.250   1.753  16.113
  402    HE2  TYR  54           HE2      TYR  54  -8.238   2.271  12.000
  403    HH   TYR  54           HH       TYR  54  -6.765   1.461  14.089
  Start of MODEL    4
    1    H1   ASP   2           H        ASP   2 -17.599   4.732   2.689
    2    HA   ASP   2           HA       ASP   2 -16.809   6.612   3.732
    3    HB2  ASP   2           1HB      ASP   2 -17.079   6.544   6.212
    4    HB3  ASP   2           2HB      ASP   2 -18.479   5.929   5.337
    5    H    CYS   3           H        CYS   3 -14.736   4.888   2.814
    6    HA   CYS   3           HA       CYS   3 -12.645   5.541   4.781
    7    HB2  CYS   3           1HB      CYS   3 -12.546   3.121   2.981
    8    HB3  CYS   3           2HB      CYS   3 -11.491   3.503   4.338
    9    H    LYS   4           H        LYS   4 -10.404   5.397   3.648
   10    HA   LYS   4           HA       LYS   4 -10.596   6.561   0.951
   11    HB2  LYS   4           1HB      LYS   4  -8.546   7.959   1.728
   12    HB3  LYS   4           2HB      LYS   4 -10.162   8.475   2.190
   13    HG2  LYS   4           1HG      LYS   4  -9.860   7.408   4.382
   14    HG3  LYS   4           2HG      LYS   4  -8.220   6.950   3.915
   15    HD2  LYS   4           1HD      LYS   4  -9.192   9.800   3.921
   16    HD3  LYS   4           2HD      LYS   4  -8.430   9.041   5.321
   17    HE2  LYS   4           1HE      LYS   4  -7.054   8.894   2.684
   18    HE3  LYS   4           2HE      LYS   4  -7.021  10.418   3.571
   19    HZ1  LYS   4           3HZ      LYS   4  -5.153   8.732   3.967
   20    HZ2  LYS   4           1HZ      LYS   4  -6.286   7.887   4.897
   21    HZ3  LYS   4           2HZ      LYS   4  -5.858   9.468   5.317
   22    H    ARG   5           H        ARG   5  -8.644   6.372  -0.333
   23    HA   ARG   5           HA       ARG   5  -6.657   4.451   0.590
   24    HB2  ARG   5           1HB      ARG   5  -6.921   3.124  -1.531
   25    HB3  ARG   5           2HB      ARG   5  -8.244   2.960  -0.383
   26    HG2  ARG   5           1HG      ARG   5  -9.355   3.185  -2.387
   27    HG3  ARG   5           2HG      ARG   5  -9.356   4.841  -1.776
   28    HD2  ARG   5           1HD      ARG   5  -8.129   5.570  -3.492
   29    HD3  ARG   5           2HD      ARG   5  -6.977   4.245  -3.326
   30    HE   ARG   5           HE       ARG   5  -9.461   3.464  -4.539
   31   HH11  ARG   5          1HH1      ARG   5  -6.303   4.817  -5.105
   32   HH12  ARG   5          2HH1      ARG   5  -6.253   4.339  -6.770
   33   HH21  ARG   5          1HH2      ARG   5  -9.407   2.831  -6.730
   34   HH22  ARG   5          2HH2      ARG   5  -8.020   3.210  -7.693
   35    H    LYS   6           H        LYS   6  -4.686   4.611  -0.448
   36    HA   LYS   6           HA       LYS   6  -4.412   6.357  -2.753
   37    HB2  LYS   6           1HB      LYS   6  -4.273   7.986  -0.998
   38    HB3  LYS   6           2HB      LYS   6  -3.175   6.974  -0.069
   39    HG2  LYS   6           1HG      LYS   6  -1.389   7.373  -1.539
   40    HG3  LYS   6           2HG      LYS   6  -2.455   8.029  -2.784
   41    HD2  LYS   6           1HD      LYS   6  -2.165   9.326  -0.088
   42    HD3  LYS   6           2HD      LYS   6  -1.070   9.691  -1.422
   43    HE2  LYS   6           1HE      LYS   6  -4.059   9.888  -1.683
   44    HE3  LYS   6           2HE      LYS   6  -3.071  11.232  -1.112
   45    HZ1  LYS   6           3HZ      LYS   6  -2.225   9.958  -3.589
   46    HZ2  LYS   6           1HZ      LYS   6  -2.219  11.594  -3.154
   47    HZ3  LYS   6           2HZ      LYS   6  -3.656  10.858  -3.662
   48    H    VAL   7           H        VAL   7  -2.486   6.062  -3.892
   49    HA   VAL   7           HA       VAL   7  -1.075   3.590  -3.219
   50    HB   VAL   7           HB       VAL   7  -1.953   3.713  -5.475
   51   HG11  VAL   7          1HG1      VAL   7  -0.236   5.660  -6.655
   52   HG12  VAL   7          2HG1      VAL   7  -2.000   5.610  -6.627
   53   HG13  VAL   7          3HG1      VAL   7  -1.119   6.409  -5.325
   54   HG21  VAL   7          3HG2      VAL   7   0.243   2.591  -5.012
   55   HG22  VAL   7          1HG2      VAL   7   0.008   3.100  -6.685
   56   HG23  VAL   7          2HG2      VAL   7   1.039   4.046  -5.611
   57    H    TYR   8           H        TYR   8   1.081   3.476  -2.809
   58    HA   TYR   8           HA       TYR   8   2.460   6.034  -2.407
   59    HB2  TYR   8           1HB      TYR   8   2.146   4.015  -0.653
   60    HB3  TYR   8           2HB      TYR   8   3.660   3.517  -1.397
   61    HD1  TYR   8           HD2      TYR   8   4.933   6.140  -1.904
   62    HD2  TYR   8           HD1      TYR   8   2.766   4.736   1.478
   63    HE1  TYR   8           HE2      TYR   8   6.159   7.717  -0.470
   64    HE2  TYR   8           HE1      TYR   8   3.987   6.310   2.921
   65    HH   TYR   8           HH       TYR   8   5.504   7.924   3.016
   66    H    GLU   9           H        GLU   9   2.795   6.091  -4.782
   67    HA   GLU   9           HA       GLU   9   4.473   4.196  -6.064
   68    HB2  GLU   9           1HB      GLU   9   4.543   5.731  -7.902
   69    HB3  GLU   9           2HB      GLU   9   2.918   5.769  -7.234
   70    HG2  GLU   9           1HG      GLU   9   3.574   7.817  -5.964
   71    HG3  GLU   9           2HG      GLU   9   5.092   7.811  -6.860
   72    H    ASN  10           H        ASN  10   5.120   6.587  -3.784
   73    HA   ASN  10           HA       ASN  10   7.796   7.205  -4.680
   74    HB2  ASN  10           1HB      ASN  10   5.951   8.206  -2.670
   75    HB3  ASN  10           2HB      ASN  10   7.576   8.012  -2.020
   76   HD21  ASN  10          2HD2      ASN  10   5.945  10.405  -2.689
   77   HD22  ASN  10          1HD2      ASN  10   6.948  11.351  -3.731
   78    H    TYR  11           H        TYR  11   6.275   4.804  -2.775
   79    HA   TYR  11           HA       TYR  11   8.648   4.122  -1.263
   80    HB2  TYR  11           1HB      TYR  11   5.826   3.443  -1.185
   81    HB3  TYR  11           2HB      TYR  11   6.837   2.009  -1.043
   82    HD1  TYR  11           HD2      TYR  11   7.444   5.464   0.214
   83    HD2  TYR  11           HD1      TYR  11   6.692   1.393   1.199
   84    HE1  TYR  11           HE2      TYR  11   7.825   5.973   2.589
   85    HE2  TYR  11           HE1      TYR  11   7.070   1.893   3.577
   86    HH   TYR  11           HH       TYR  11   7.544   3.452   5.079
   87    HA   PRO  12           HA       PRO  12  10.405   1.191  -4.014
   88    HB2  PRO  12           1HB      PRO  12  11.332  -0.694  -2.293
   89    HB3  PRO  12           2HB      PRO  12  12.075   0.901  -2.463
   90    HG2  PRO  12           1HG      PRO  12  10.155  -0.082  -0.388
   91    HG3  PRO  12           2HG      PRO  12  11.610   0.911  -0.185
   92    HD2  PRO  12           1HD      PRO  12   9.117   1.967  -0.202
   93    HD3  PRO  12           2HD      PRO  12  10.530   2.846  -0.819
   94    H    VAL  13           H        VAL  13   9.471  -0.251  -5.311
   95    HA   VAL  13           HA       VAL  13   7.121  -1.665  -4.586
   96    HB   VAL  13           HB       VAL  13   8.895  -2.179  -6.975
   97   HG11  VAL  13          1HG1      VAL  13   6.702  -2.892  -7.987
   98   HG12  VAL  13          2HG1      VAL  13   7.332  -3.949  -6.723
   99   HG13  VAL  13          3HG1      VAL  13   6.020  -2.827  -6.363
  100   HG21  VAL  13          3HG2      VAL  13   7.079  -0.679  -8.075
  101   HG22  VAL  13          1HG2      VAL  13   6.839  -0.076  -6.435
  102   HG23  VAL  13          2HG2      VAL  13   8.418   0.073  -7.208
  103    H    SER  14           H        SER  14  10.447  -2.357  -4.240
  104    HA   SER  14           HA       SER  14  10.532  -5.130  -4.447
  105    HB2  SER  14           1HB      SER  14  12.480  -3.529  -4.086
  106    HB3  SER  14           2HB      SER  14  12.059  -3.550  -2.374
  107    HG   SER  14           HG       SER  14  13.269  -5.266  -2.330
  108    H    LYS  15           H        LYS  15   9.231  -3.093  -1.942
  109    HA   LYS  15           HA       LYS  15   9.040  -5.150   0.042
  110    HB2  LYS  15           1HB      LYS  15   7.508  -2.550  -0.101
  111    HB3  LYS  15           2HB      LYS  15   7.767  -3.545   1.326
  112    HG2  LYS  15           1HG      LYS  15   9.880  -2.044  -0.208
  113    HG3  LYS  15           2HG      LYS  15   9.210  -1.603   1.364
  114    HD2  LYS  15           1HD      LYS  15  10.001  -4.093   1.928
  115    HD3  LYS  15           2HD      LYS  15  11.159  -3.718   0.649
  116    HE2  LYS  15           1HE      LYS  15  10.673  -2.053   3.119
  117    HE3  LYS  15           2HE      LYS  15  12.021  -3.165   2.886
  118    HZ1  LYS  15           3HZ      LYS  15  12.530  -1.773   0.836
  119    HZ2  LYS  15           1HZ      LYS  15  12.870  -1.081   2.343
  120    HZ3  LYS  15           2HZ      LYS  15  11.484  -0.615   1.493
  121    H    CYS  16           H        CYS  16   7.145  -4.156  -2.655
  122    HA   CYS  16           HA       CYS  16   4.581  -4.901  -1.956
  123    HB2  CYS  16           1HB      CYS  16   5.124  -3.838  -4.093
  124    HB3  CYS  16           2HB      CYS  16   5.961  -5.295  -4.620
  125    H    GLN  17           H        GLN  17   7.318  -6.921  -2.792
  126    HA   GLN  17           HA       GLN  17   6.044  -9.338  -3.285
  127    HB2  GLN  17           1HB      GLN  17   8.668  -8.954  -1.833
  128    HB3  GLN  17           2HB      GLN  17   8.140 -10.411  -2.666
  129    HG2  GLN  17           1HG      GLN  17   8.033  -8.978  -4.764
  130    HG3  GLN  17           2HG      GLN  17   8.933  -7.772  -3.846
  131   HE21  GLN  17          2HE2      GLN  17  10.552  -8.068  -5.507
  132   HE22  GLN  17          1HE2      GLN  17  11.676  -9.373  -5.373
  133    H    LEU  18           H        LEU  18   6.503  -7.633  -0.305
  134    HA   LEU  18           HA       LEU  18   5.560  -9.954   1.228
  135    HB2  LEU  18           1HB      LEU  18   6.732  -7.356   2.211
  136    HB3  LEU  18           2HB      LEU  18   6.296  -8.740   3.209
  137    HG   LEU  18           HG       LEU  18   8.380  -8.942   1.055
  138   HD11  LEU  18          1HD1      LEU  18   8.647  -7.898   3.851
  139   HD12  LEU  18          2HD1      LEU  18   9.295  -7.237   2.351
  140   HD13  LEU  18          3HD1      LEU  18   9.989  -8.704   3.040
  141   HD21  LEU  18          3HD2      LEU  18   8.745 -10.521   3.435
  142   HD22  LEU  18          1HD2      LEU  18   8.585 -11.038   1.757
  143   HD23  LEU  18          2HD2      LEU  18   7.144 -10.792   2.744
  144    H    ALA  19           H        ALA  19   3.636  -9.946   2.265
  145    HA   ALA  19           HA       ALA  19   1.814  -7.757   1.655
  146    HB1  ALA  19           3HB      ALA  19   0.692  -9.689   1.198
  147    HB2  ALA  19           1HB      ALA  19   1.506 -10.595   2.474
  148    HB3  ALA  19           2HB      ALA  19   0.211  -9.468   2.881
  149    H    ASN  20           H        ASN  20   3.450  -9.206   4.375
  150    HA   ASN  20           HA       ASN  20   1.894  -7.810   6.355
  151    HB2  ASN  20           1HB      ASN  20   3.450  -8.765   7.969
  152    HB3  ASN  20           2HB      ASN  20   2.934 -10.005   6.829
  153   HD21  ASN  20          2HD2      ASN  20   4.454 -11.194   5.932
  154   HD22  ASN  20          1HD2      ASN  20   6.135 -10.799   5.852
  155    H    GLN  21           H        GLN  21   4.646  -7.138   4.419
  156    HA   GLN  21           HA       GLN  21   5.766  -5.132   6.152
  157    HB2  GLN  21           1HB      GLN  21   7.175  -6.393   4.580
  158    HB3  GLN  21           2HB      GLN  21   6.288  -5.703   3.229
  159    HG2  GLN  21           1HG      GLN  21   8.267  -4.466   3.372
  160    HG3  GLN  21           2HG      GLN  21   7.022  -3.437   4.080
  161   HE21  GLN  21          2HE2      GLN  21   9.620  -5.681   4.860
  162   HE22  GLN  21          1HE2      GLN  21   9.993  -4.999   6.404
  163    H    CYS  22           H        CYS  22   3.736  -5.176   3.257
  164    HA   CYS  22           HA       CYS  22   3.662  -2.410   2.796
  165    HB2  CYS  22           1HB      CYS  22   2.282  -4.764   1.835
  166    HB3  CYS  22           2HB      CYS  22   1.159  -3.423   2.033
  167    H    ASN  23           H        ASN  23   1.111  -4.407   4.296
  168    HA   ASN  23           HA       ASN  23  -0.448  -2.306   5.233
  169    HB2  ASN  23           1HB      ASN  23  -1.679  -3.897   6.378
  170    HB3  ASN  23           2HB      ASN  23  -0.868  -4.900   5.179
  171   HD21  ASN  23          2HD2      ASN  23  -1.789  -4.944   8.218
  172   HD22  ASN  23          1HD2      ASN  23  -0.522  -5.867   8.945
  173    H    TYR  24           H        TYR  24   2.475  -3.676   6.516
  174    HA   TYR  24           HA       TYR  24   2.252  -2.671   9.158
  175    HB2  TYR  24           1HB      TYR  24   3.803  -4.437   8.785
  176    HB3  TYR  24           2HB      TYR  24   4.611  -3.553   7.496
  177    HD1  TYR  24           HD1      TYR  24   4.228  -3.898  11.124
  178    HD2  TYR  24           HD2      TYR  24   6.219  -1.810   7.997
  179    HE1  TYR  24           HE1      TYR  24   5.850  -3.020  12.752
  180    HE2  TYR  24           HE2      TYR  24   7.847  -0.927   9.615
  181    HH   TYR  24           HH       TYR  24   8.075  -0.520  11.962
  182    H    ASP  25           H        ASP  25   3.949  -1.469   6.273
  183    HA   ASP  25           HA       ASP  25   4.835   0.928   7.551
  184    HB2  ASP  25           1HB      ASP  25   5.871   1.449   5.545
  185    HB3  ASP  25           2HB      ASP  25   5.784  -0.307   5.445
  186    H    CYS  26           H        CYS  26   1.994  -0.028   5.794
  187    HA   CYS  26           HA       CYS  26   1.078   2.638   5.257
  188    HB2  CYS  26           1HB      CYS  26  -0.211  -0.082   5.086
  189    HB3  CYS  26           2HB      CYS  26  -1.115   1.397   4.777
  190    H    LYS  27           H        LYS  27   0.043   0.076   7.508
  191    HA   LYS  27           HA       LYS  27  -1.827   1.714   8.876
  192    HB2  LYS  27           1HB      LYS  27  -0.458  -0.827   9.780
  193    HB3  LYS  27           2HB      LYS  27  -1.857  -0.096  10.554
  194    HG2  LYS  27           1HG      LYS  27  -3.287  -0.722   8.877
  195    HG3  LYS  27           2HG      LYS  27  -2.008  -0.790   7.663
  196    HD2  LYS  27           1HD      LYS  27  -2.491  -3.031   8.025
  197    HD3  LYS  27           2HD      LYS  27  -1.100  -2.759   9.077
  198    HE2  LYS  27           1HE      LYS  27  -2.927  -2.206  10.860
  199    HE3  LYS  27           2HE      LYS  27  -3.980  -3.127   9.787
  200    HZ1  LYS  27           3HZ      LYS  27  -2.782  -5.056  10.129
  201    HZ2  LYS  27           1HZ      LYS  27  -2.753  -4.347  11.665
  202    HZ3  LYS  27           2HZ      LYS  27  -1.396  -4.244  10.660
  203    H    LEU  28           H        LEU  28   1.542   1.630   8.916
  204    HA   LEU  28           HA       LEU  28   1.911   2.395  11.666
  205    HB2  LEU  28           1HB      LEU  28   3.699   1.222  10.661
  206    HB3  LEU  28           2HB      LEU  28   3.721   2.303   9.269
  207    HG   LEU  28           HG       LEU  28   4.547   4.113  10.759
  208   HD11  LEU  28          1HD1      LEU  28   5.128   3.767  12.973
  209   HD12  LEU  28          2HD1      LEU  28   5.137   2.011  12.804
  210   HD13  LEU  28          3HD1      LEU  28   3.606   2.887  12.832
  211   HD21  LEU  28          3HD2      LEU  28   6.823   2.964  11.162
  212   HD22  LEU  28          1HD2      LEU  28   6.226   3.110   9.509
  213   HD23  LEU  28          2HD2      LEU  28   6.085   1.575  10.364
  214    H    ASP  29           H        ASP  29   2.572   4.099   8.599
  215    HA   ASP  29           HA       ASP  29   2.352   6.649  10.004
  216    HB2  ASP  29           1HB      ASP  29   3.537   5.749   7.424
  217    HB3  ASP  29           2HB      ASP  29   2.970   7.413   7.523
  218    H    LYS  30           H        LYS  30   1.007   5.072   7.110
  219    HA   LYS  30           HA       LYS  30  -0.937   7.097   6.642
  220    HB2  LYS  30           1HB      LYS  30  -0.180   4.528   5.465
  221    HB3  LYS  30           2HB      LYS  30  -1.912   4.827   5.409
  222    HG2  LYS  30           1HG      LYS  30  -0.091   7.008   4.548
  223    HG3  LYS  30           2HG      LYS  30  -0.301   5.618   3.480
  224    HD2  LYS  30           1HD      LYS  30  -2.055   6.815   2.714
  225    HD3  LYS  30           2HD      LYS  30  -2.872   6.122   4.117
  226    HE2  LYS  30           1HE      LYS  30  -1.351   8.603   4.598
  227    HE3  LYS  30           2HE      LYS  30  -2.782   8.762   3.580
  228    HZ1  LYS  30           3HZ      LYS  30  -3.763   7.292   5.556
  229    HZ2  LYS  30           1HZ      LYS  30  -3.785   8.984   5.568
  230    HZ3  LYS  30           2HZ      LYS  30  -2.582   8.147   6.413
  231    H    HIS  31           H        HIS  31  -0.722   4.706   8.976
  232    HA   HIS  31           HA       HIS  31  -2.179   3.779  10.461
  233    HB2  HIS  31           1HB      HIS  31  -2.523   6.389  10.631
  234    HB3  HIS  31           2HB      HIS  31  -4.110   6.010   9.967
  235    HD1  HIS  31           HD1      HIS  31  -4.863   6.980  12.391
  236    HD2  HIS  31           HD2      HIS  31  -2.986   3.274  12.356
  237    HE1  HIS  31           HE1      HIS  31  -5.414   5.927  14.607
  238    H    ALA  32           H        ALA  32  -2.524   3.200   7.556
  239    HA   ALA  32           HA       ALA  32  -5.236   2.974   6.882
  240    HB1  ALA  32           3HB      ALA  32  -3.300   2.722   5.320
  241    HB2  ALA  32           1HB      ALA  32  -3.041   1.112   5.995
  242    HB3  ALA  32           2HB      ALA  32  -4.545   1.485   5.151
  243    H    ARG  33           H        ARG  33  -5.655   0.312   6.230
  244    HA   ARG  33           HA       ARG  33  -5.651  -1.080   8.819
  245    HB2  ARG  33           1HB      ARG  33  -8.030  -0.916   6.961
  246    HB3  ARG  33           2HB      ARG  33  -7.961  -1.769   8.497
  247    HG2  ARG  33           1HG      ARG  33  -7.297   0.679   9.340
  248    HG3  ARG  33           2HG      ARG  33  -8.278   1.111   7.938
  249    HD2  ARG  33           1HD      ARG  33 -10.143  -0.147   8.792
  250    HD3  ARG  33           2HD      ARG  33  -9.165  -0.767  10.121
  251    HE   ARG  33           HE       ARG  33 -10.493   1.755  10.001
  252   HH11  ARG  33          1HH1      ARG  33  -7.707   0.110  11.287
  253   HH12  ARG  33          2HH1      ARG  33  -7.530   1.187  12.632
  254   HH21  ARG  33          1HH2      ARG  33 -10.269   3.181  11.767
  255   HH22  ARG  33          2HH2      ARG  33  -8.988   2.933  12.905
  256    H    SER  34           H        SER  34  -6.150  -1.338   5.320
  257    HA   SER  34           HA       SER  34  -5.100  -4.089   5.463
  258    HB2  SER  34           1HB      SER  34  -7.608  -3.703   4.807
  259    HB3  SER  34           2HB      SER  34  -6.933  -3.223   3.251
  260    HG   SER  34           HG       SER  34  -7.235  -5.372   3.065
  261    H    GLY  35           H        GLY  35  -3.487  -1.795   5.173
  262    HA2  GLY  35           1HA      GLY  35  -2.859  -0.948   2.632
  263    HA3  GLY  35           2HA      GLY  35  -1.673  -1.153   3.913
  264    H    GLU  36           H        GLU  36  -2.509  -2.077   0.843
  265    HA   GLU  36           HA       GLU  36  -0.536  -4.213   0.881
  266    HB2  GLU  36           1HB      GLU  36  -2.866  -5.203   1.250
  267    HB3  GLU  36           2HB      GLU  36  -3.214  -4.717  -0.404
  268    HG2  GLU  36           1HG      GLU  36  -2.530  -7.088  -0.155
  269    HG3  GLU  36           2HG      GLU  36  -1.527  -6.157  -1.266
  270    H    CYS  37           H        CYS  37   0.038  -4.918  -1.349
  271    HA   CYS  37           HA       CYS  37  -0.094  -2.614  -3.166
  272    HB2  CYS  37           1HB      CYS  37   1.957  -3.361  -4.122
  273    HB3  CYS  37           2HB      CYS  37   2.150  -3.474  -2.375
  274    H    PHE  38           H        PHE  38  -0.471  -2.921  -5.398
  275    HA   PHE  38           HA       PHE  38  -1.204  -5.485  -6.444
  276    HB2  PHE  38           1HB      PHE  38  -3.287  -3.618  -5.462
  277    HB3  PHE  38           2HB      PHE  38  -3.576  -4.349  -7.038
  278    HD1  PHE  38           HD1      PHE  38  -2.979  -6.991  -7.036
  279    HD2  PHE  38           HD2      PHE  38  -4.215  -4.693  -3.674
  280    HE1  PHE  38           HE1      PHE  38  -3.787  -9.039  -5.938
  281    HE2  PHE  38           HE2      PHE  38  -5.025  -6.737  -2.570
  282    HZ   PHE  38           HZ       PHE  38  -4.810  -8.914  -3.702
  283    H    TYR  39           H        TYR  39  -1.733  -5.407  -8.717
  284    HA   TYR  39           HA       TYR  39  -0.160  -3.582 -10.154
  285    HB2  TYR  39           1HB      TYR  39  -1.296  -4.548 -12.169
  286    HB3  TYR  39           2HB      TYR  39  -0.605  -5.750 -11.085
  287    HD1  TYR  39           HD2      TYR  39  -3.763  -4.186 -12.197
  288    HD2  TYR  39           HD1      TYR  39  -1.976  -7.371 -10.014
  289    HE1  TYR  39           HE2      TYR  39  -5.944  -5.315 -12.073
  290    HE2  TYR  39           HE1      TYR  39  -4.153  -8.511  -9.886
  291    HH   TYR  39           HH       TYR  39  -6.281  -8.493 -10.526
  292    H    ASP  40           H        ASP  40  -0.603  -1.727 -11.236
  293    HA   ASP  40           HA       ASP  40  -3.159  -0.451 -10.638
  294    HB2  ASP  40           1HB      ASP  40  -0.600   0.506 -10.568
  295    HB3  ASP  40           2HB      ASP  40  -1.148   1.087 -12.138
  296    H    GLU  41           H        GLU  41  -3.714   1.225 -12.556
  297    HA   GLU  41           HA       GLU  41  -4.789  -0.348 -14.623
  298    HB2  GLU  41           1HB      GLU  41  -5.526   1.728 -15.614
  299    HB3  GLU  41           2HB      GLU  41  -5.733   1.817 -13.870
  300    HG2  GLU  41           1HG      GLU  41  -3.463   2.996 -13.848
  301    HG3  GLU  41           2HG      GLU  41  -3.696   3.184 -15.585
  302    H    LYS  42           H        LYS  42  -1.725   1.178 -14.256
  303    HA   LYS  42           HA       LYS  42  -1.116   0.868 -17.109
  304    HB2  LYS  42           1HB      LYS  42   0.393   2.260 -14.890
  305    HB3  LYS  42           2HB      LYS  42   0.966   2.128 -16.547
  306    HG2  LYS  42           1HG      LYS  42  -1.725   3.296 -16.065
  307    HG3  LYS  42           2HG      LYS  42  -0.297   4.268 -15.702
  308    HD2  LYS  42           1HD      LYS  42  -0.471   2.859 -18.327
  309    HD3  LYS  42           2HD      LYS  42  -1.399   4.339 -18.083
  310    HE2  LYS  42           1HE      LYS  42   0.545   5.227 -18.890
  311    HE3  LYS  42           2HE      LYS  42   0.911   5.224 -17.165
  312    HZ1  LYS  42           3HZ      LYS  42   1.603   2.788 -18.566
  313    HZ2  LYS  42           1HZ      LYS  42   2.483   3.668 -17.421
  314    HZ3  LYS  42           2HZ      LYS  42   2.487   4.150 -19.041
  315    H    ARG  43           H        ARG  43  -1.372  -1.359 -15.152
  316    HA   ARG  43           HA       ARG  43  -0.337  -3.313 -14.618
  317    HB2  ARG  43           1HB      ARG  43   1.082  -2.437 -17.102
  318    HB3  ARG  43           2HB      ARG  43   1.679  -3.841 -16.226
  319    HG2  ARG  43           1HG      ARG  43  -1.188  -3.596 -17.074
  320    HG3  ARG  43           2HG      ARG  43   0.058  -4.256 -18.136
  321    HD2  ARG  43           1HD      ARG  43   0.614  -5.795 -16.136
  322    HD3  ARG  43           2HD      ARG  43  -0.981  -5.334 -15.540
  323    HE   ARG  43           HE       ARG  43  -1.913  -6.701 -17.113
  324   HH11  ARG  43          1HH1      ARG  43   1.380  -6.028 -18.020
  325   HH12  ARG  43          2HH1      ARG  43   1.379  -7.139 -19.350
  326   HH21  ARG  43          1HH2      ARG  43  -1.926  -8.168 -18.860
  327   HH22  ARG  43          2HH2      ARG  43  -0.503  -8.355 -19.826
  328    H    ASN  44           H        ASN  44   0.589  -0.768 -13.396
  329    HA   ASN  44           HA       ASN  44   3.380  -1.437 -12.780
  330    HB2  ASN  44           1HB      ASN  44   1.794   1.074 -12.197
  331    HB3  ASN  44           2HB      ASN  44   3.486   0.825 -11.779
  332   HD21  ASN  44          2HD2      ASN  44   2.705   2.944 -13.323
  333   HD22  ASN  44          1HD2      ASN  44   3.285   2.731 -14.937
  334    H    LEU  45           H        LEU  45   3.851  -2.434 -10.942
  335    HA   LEU  45           HA       LEU  45   1.801  -2.909  -8.972
  336    HB2  LEU  45           1HB      LEU  45   4.681  -3.670  -8.666
  337    HB3  LEU  45           2HB      LEU  45   3.250  -4.475  -8.025
  338    HG   LEU  45           HG       LEU  45   4.052  -4.429 -10.934
  339   HD11  LEU  45          1HD1      LEU  45   4.120  -6.852  -9.194
  340   HD12  LEU  45          2HD1      LEU  45   5.482  -5.731  -9.188
  341   HD13  LEU  45          3HD1      LEU  45   4.992  -6.515 -10.689
  342   HD21  LEU  45          3HD2      LEU  45   1.663  -4.642 -10.660
  343   HD22  LEU  45          1HD2      LEU  45   1.881  -5.912  -9.456
  344   HD23  LEU  45          2HD2      LEU  45   2.341  -6.200 -11.133
  345    H    GLN  46           H        GLN  46   1.421  -1.685  -7.255
  346    HA   GLN  46           HA       GLN  46   3.629  -0.248  -5.986
  347    HB2  GLN  46           1HB      GLN  46   1.017   1.134  -6.586
  348    HB3  GLN  46           2HB      GLN  46   2.491   1.848  -5.947
  349    HG2  GLN  46           1HG      GLN  46   3.611   1.573  -8.041
  350    HG3  GLN  46           2HG      GLN  46   2.259   0.649  -8.694
  351   HE21  GLN  46          2HE2      GLN  46   1.255   1.803 -10.168
  352   HE22  GLN  46          1HE2      GLN  46   0.860   3.480 -10.055
  353    H    CYS  47           H        CYS  47   3.077   0.550  -3.822
  354    HA   CYS  47           HA       CYS  47   1.290  -1.332  -2.485
  355    HB2  CYS  47           1HB      CYS  47   3.675  -0.948  -1.723
  356    HB3  CYS  47           2HB      CYS  47   3.167   0.654  -1.200
  357    H    ILE  48           H        ILE  48  -0.754  -0.706  -2.277
  358    HA   ILE  48           HA       ILE  48  -1.353   2.137  -1.880
  359    HB   ILE  48           HB       ILE  48  -3.268  -0.113  -2.504
  360   HG12  ILE  48          1HG1      ILE  48  -3.219   1.463  -4.724
  361   HG13  ILE  48          2HG1      ILE  48  -1.540   1.570  -4.206
  362   HG21  ILE  48          1HG2      ILE  48  -4.886   1.596  -2.940
  363   HG22  ILE  48          2HG2      ILE  48  -4.207   1.880  -1.338
  364   HG23  ILE  48          3HG2      ILE  48  -3.683   2.864  -2.705
  365   HD11  ILE  48          3HD1      ILE  48  -2.230  -1.139  -4.042
  366   HD12  ILE  48          1HD1      ILE  48  -2.889  -0.550  -5.568
  367   HD13  ILE  48          2HD1      ILE  48  -1.170  -0.359  -5.216
  368    H    CYS  49           H        CYS  49  -2.378   2.901  -0.090
  369    HA   CYS  49           HA       CYS  49  -2.825   0.967   2.088
  370    HB2  CYS  49           1HB      CYS  49  -2.259   3.910   2.438
  371    HB3  CYS  49           2HB      CYS  49  -2.200   2.644   3.660
  372    H    ASP  50           H        ASP  50  -4.820   0.772   2.867
  373    HA   ASP  50           HA       ASP  50  -6.820   2.779   2.072
  374    HB2  ASP  50           1HB      ASP  50  -6.853   0.071   1.639
  375    HB3  ASP  50           2HB      ASP  50  -7.816   0.218   3.107
  376    H    TYR  51           H        TYR  51  -7.250   4.167   3.651
  377    HA   TYR  51           HA       TYR  51  -7.165   3.233   6.433
  378    HB2  TYR  51           1HB      TYR  51  -5.742   5.144   5.999
  379    HB3  TYR  51           2HB      TYR  51  -7.082   6.024   5.274
  380    HD1  TYR  51           HD2      TYR  51  -6.898   4.058   8.441
  381    HD2  TYR  51           HD1      TYR  51  -7.482   7.863   6.629
  382    HE1  TYR  51           HE2      TYR  51  -7.453   5.014  10.639
  383    HE2  TYR  51           HE1      TYR  51  -8.038   8.830   8.821
  384    HH   TYR  51           HH       TYR  51  -7.351   8.043  11.406
  385    H    CYS  52           H        CYS  52  -9.006   2.858   7.457
  386    HA   CYS  52           HA       CYS  52 -11.492   3.956   6.348
  387    HB2  CYS  52           1HB      CYS  52 -10.789   1.473   7.820
  388    HB3  CYS  52           2HB      CYS  52 -12.377   2.164   8.138
  389    H    GLU  53           H        GLU  53 -12.761   5.315   7.478
  390    HA   GLU  53           HA       GLU  53 -12.087   5.816  10.298
  391    HB2  GLU  53           1HB      GLU  53 -12.473   8.224   9.922
  392    HB3  GLU  53           2HB      GLU  53 -11.112   7.613   8.994
  393    HG2  GLU  53           1HG      GLU  53 -12.100   8.810   7.361
  394    HG3  GLU  53           2HG      GLU  53 -13.013   7.316   7.158
  395    H    TYR  54           H        TYR  54 -13.776   5.667  11.614
  396    HA   TYR  54           HA       TYR  54 -16.453   5.518  10.454
  397    HB2  TYR  54           1HB      TYR  54 -15.601   4.924  13.293
  398    HB3  TYR  54           2HB      TYR  54 -17.131   4.496  12.534
  399    HD1  TYR  54           HD2      TYR  54 -17.235   2.679  10.887
  400    HD2  TYR  54           HD1      TYR  54 -13.609   3.629  12.900
  401    HE1  TYR  54           HE2      TYR  54 -16.292   0.515  10.197
  402    HE2  TYR  54           HE1      TYR  54 -12.655   1.468  12.214
  403    HH   TYR  54           HH       TYR  54 -12.933  -0.332  10.895
  Start of MODEL    5
    1    H1   ASP   2           H        ASP   2 -17.172   6.489   6.308
    2    HA   ASP   2           HA       ASP   2 -17.461   4.897   3.934
    3    HB2  ASP   2           1HB      ASP   2 -16.846   6.593   2.320
    4    HB3  ASP   2           2HB      ASP   2 -18.298   7.111   3.171
    5    H    CYS   3           H        CYS   3 -15.348   4.770   2.723
    6    HA   CYS   3           HA       CYS   3 -13.089   5.134   4.581
    7    HB2  CYS   3           1HB      CYS   3 -13.266   2.913   2.552
    8    HB3  CYS   3           2HB      CYS   3 -12.172   3.050   3.924
    9    H    LYS   4           H        LYS   4 -10.931   4.923   3.323
   10    HA   LYS   4           HA       LYS   4 -11.083   6.107   0.657
   11    HB2  LYS   4           1HB      LYS   4  -9.275   7.769   1.410
   12    HB3  LYS   4           2HB      LYS   4 -10.937   8.103   1.875
   13    HG2  LYS   4           1HG      LYS   4 -10.539   7.317   4.101
   14    HG3  LYS   4           2HG      LYS   4  -8.925   6.755   3.660
   15    HD2  LYS   4           1HD      LYS   4  -8.569   8.799   4.757
   16    HD3  LYS   4           2HD      LYS   4  -8.437   9.182   3.040
   17    HE2  LYS   4           1HE      LYS   4 -11.037   9.637   3.338
   18    HE3  LYS   4           2HE      LYS   4 -10.537   9.924   5.005
   19    HZ1  LYS   4           3HZ      LYS   4  -9.121  11.657   4.343
   20    HZ2  LYS   4           1HZ      LYS   4 -10.553  11.910   3.477
   21    HZ3  LYS   4           2HZ      LYS   4  -9.207  11.234   2.707
   22    H    ARG   5           H        ARG   5  -9.012   6.080  -0.476
   23    HA   ARG   5           HA       ARG   5  -6.944   4.377   0.665
   24    HB2  ARG   5           1HB      ARG   5  -6.922   2.936  -1.372
   25    HB3  ARG   5           2HB      ARG   5  -8.359   2.741  -0.378
   26    HG2  ARG   5           1HG      ARG   5  -9.375   2.867  -2.389
   27    HG3  ARG   5           2HG      ARG   5  -9.270   4.597  -2.060
   28    HD2  ARG   5           1HD      ARG   5  -8.387   4.559  -4.163
   29    HD3  ARG   5           2HD      ARG   5  -6.916   4.309  -3.224
   30    HE   ARG   5           HE       ARG   5  -6.735   2.245  -4.170
   31   HH11  ARG   5          1HH1      ARG   5 -10.039   3.307  -4.449
   32   HH12  ARG   5          2HH1      ARG   5 -10.532   1.947  -5.404
   33   HH21  ARG   5          1HH2      ARG   5  -7.372   0.451  -5.426
   34   HH22  ARG   5          2HH2      ARG   5  -9.014   0.323  -5.958
   35    H    LYS   6           H        LYS   6  -4.989   4.306  -0.705
   36    HA   LYS   6           HA       LYS   6  -4.701   6.149  -2.868
   37    HB2  LYS   6           1HB      LYS   6  -4.757   7.678  -0.882
   38    HB3  LYS   6           2HB      LYS   6  -3.312   6.874  -0.285
   39    HG2  LYS   6           1HG      LYS   6  -1.958   7.840  -1.841
   40    HG3  LYS   6           2HG      LYS   6  -3.248   7.978  -3.039
   41    HD2  LYS   6           1HD      LYS   6  -3.428   9.583  -0.531
   42    HD3  LYS   6           2HD      LYS   6  -2.314  10.103  -1.799
   43    HE2  LYS   6           1HE      LYS   6  -4.416   9.730  -3.337
   44    HE3  LYS   6           2HE      LYS   6  -5.292   9.946  -1.821
   45    HZ1  LYS   6           3HZ      LYS   6  -3.325  11.947  -2.059
   46    HZ2  LYS   6           1HZ      LYS   6  -5.006  12.120  -1.980
   47    HZ3  LYS   6           2HZ      LYS   6  -4.247  11.917  -3.478
   48    H    VAL   7           H        VAL   7  -2.658   6.013  -3.882
   49    HA   VAL   7           HA       VAL   7  -1.093   3.672  -3.031
   50    HB   VAL   7           HB       VAL   7  -2.053   3.454  -5.258
   51   HG11  VAL   7          1HG1      VAL   7  -1.541   6.176  -5.470
   52   HG12  VAL   7          2HG1      VAL   7  -0.432   5.426  -6.619
   53   HG13  VAL   7          3HG1      VAL   7  -2.165   5.117  -6.735
   54   HG21  VAL   7          3HG2      VAL   7   0.932   3.871  -5.242
   55   HG22  VAL   7          1HG2      VAL   7   0.062   2.376  -4.907
   56   HG23  VAL   7          2HG2      VAL   7   0.048   3.058  -6.532
   57    H    TYR   8           H        TYR   8   1.086   3.796  -2.731
   58    HA   TYR   8           HA       TYR   8   2.322   6.455  -3.032
   59    HB2  TYR   8           1HB      TYR   8   1.800   5.251  -0.635
   60    HB3  TYR   8           2HB      TYR   8   3.447   4.715  -0.943
   61    HD1  TYR   8           HD1      TYR   8   1.622   7.933  -1.504
   62    HD2  TYR   8           HD2      TYR   8   4.963   5.970   0.252
   63    HE1  TYR   8           HE1      TYR   8   2.470  10.100  -0.709
   64    HE2  TYR   8           HE2      TYR   8   5.820   8.132   1.054
   65    HH   TYR   8           HH       TYR   8   5.196  10.322   1.461
   66    H    GLU   9           H        GLU   9   3.312   5.979  -4.984
   67    HA   GLU   9           HA       GLU   9   4.738   3.624  -5.550
   68    HB2  GLU   9           1HB      GLU   9   5.709   4.869  -7.417
   69    HB3  GLU   9           2HB      GLU   9   3.981   5.167  -7.295
   70    HG2  GLU   9           1HG      GLU   9   5.819   7.055  -5.933
   71    HG3  GLU   9           2HG      GLU   9   5.713   7.114  -7.692
   72    H    ASN  10           H        ASN  10   5.524   6.347  -3.627
   73    HA   ASN  10           HA       ASN  10   8.310   6.409  -3.825
   74    HB2  ASN  10           1HB      ASN  10   7.338   8.200  -2.662
   75    HB3  ASN  10           2HB      ASN  10   6.389   7.135  -1.628
   76   HD21  ASN  10          2HD2      ASN  10   9.461   8.621  -2.166
   77   HD22  ASN  10          1HD2      ASN  10  10.171   8.193  -0.649
   78    H    TYR  11           H        TYR  11   6.222   4.086  -2.397
   79    HA   TYR  11           HA       TYR  11   8.081   2.987  -0.533
   80    HB2  TYR  11           1HB      TYR  11   5.425   2.188  -1.630
   81    HB3  TYR  11           2HB      TYR  11   6.408   0.947  -0.861
   82    HD1  TYR  11           HD1      TYR  11   7.619   2.171   1.399
   83    HD2  TYR  11           HD2      TYR  11   3.745   2.877  -0.213
   84    HE1  TYR  11           HE1      TYR  11   6.843   2.923   3.609
   85    HE2  TYR  11           HE2      TYR  11   2.958   3.631   1.993
   86    HH   TYR  11           HH       TYR  11   4.595   4.680   4.270
   87    HA   PRO  12           HA       PRO  12  10.543   0.359  -3.039
   88    HB2  PRO  12           1HB      PRO  12  10.778  -1.862  -1.494
   89    HB3  PRO  12           2HB      PRO  12  11.587  -0.337  -1.113
   90    HG2  PRO  12           1HG      PRO  12   9.051  -1.468   0.007
   91    HG3  PRO  12           2HG      PRO  12  10.385  -0.661   0.852
   92    HD2  PRO  12           1HD      PRO  12   8.078   0.609   0.225
   93    HD3  PRO  12           2HD      PRO  12   9.644   1.444   0.275
   94    H    VAL  13           H        VAL  13   9.889  -0.588  -4.857
   95    HA   VAL  13           HA       VAL  13   7.445  -2.006  -5.106
   96    HB   VAL  13           HB       VAL  13   9.765  -2.045  -7.038
   97   HG11  VAL  13          1HG1      VAL  13   6.806  -2.454  -7.464
   98   HG12  VAL  13          2HG1      VAL  13   8.050  -2.479  -8.716
   99   HG13  VAL  13          3HG1      VAL  13   8.032  -3.721  -7.463
  100   HG21  VAL  13          3HG2      VAL  13   9.442   0.194  -7.034
  101   HG22  VAL  13          1HG2      VAL  13   8.078  -0.223  -8.071
  102   HG23  VAL  13          2HG2      VAL  13   7.821   0.068  -6.351
  103    H    SER  14           H        SER  14  10.806  -3.002  -4.752
  104    HA   SER  14           HA       SER  14  10.464  -5.735  -5.312
  105    HB2  SER  14           1HB      SER  14  12.498  -4.241  -3.658
  106    HB3  SER  14           2HB      SER  14  12.574  -5.987  -3.892
  107    HG   SER  14           HG       SER  14  13.812  -5.018  -5.474
  108    H    LYS  15           H        LYS  15  10.486  -3.996  -2.209
  109    HA   LYS  15           HA       LYS  15   9.842  -6.320  -0.678
  110    HB2  LYS  15           1HB      LYS  15  10.325  -3.470  -0.170
  111    HB3  LYS  15           2HB      LYS  15   9.134  -4.190   0.906
  112    HG2  LYS  15           1HG      LYS  15  11.401  -4.265   1.832
  113    HG3  LYS  15           2HG      LYS  15  10.719  -5.876   1.598
  114    HD2  LYS  15           1HD      LYS  15  12.027  -6.227  -0.366
  115    HD3  LYS  15           2HD      LYS  15  12.544  -4.539  -0.393
  116    HE2  LYS  15           1HE      LYS  15  13.707  -4.905   1.761
  117    HE3  LYS  15           2HE      LYS  15  13.251  -6.607   1.688
  118    HZ1  LYS  15           3HZ      LYS  15  15.520  -5.514   0.656
  119    HZ2  LYS  15           1HZ      LYS  15  14.536  -5.711  -0.706
  120    HZ3  LYS  15           2HZ      LYS  15  14.896  -7.040   0.277
  121    H    CYS  16           H        CYS  16   8.024  -4.208  -2.610
  122    HA   CYS  16           HA       CYS  16   5.580  -4.044  -1.304
  123    HB2  CYS  16           1HB      CYS  16   6.547  -3.322  -3.786
  124    HB3  CYS  16           2HB      CYS  16   5.327  -4.528  -4.179
  125    H    GLN  17           H        GLN  17   7.017  -6.705  -3.069
  126    HA   GLN  17           HA       GLN  17   4.820  -8.321  -3.517
  127    HB2  GLN  17           1HB      GLN  17   6.325 -10.150  -3.681
  128    HB3  GLN  17           2HB      GLN  17   7.205  -8.733  -4.240
  129    HG2  GLN  17           1HG      GLN  17   8.158  -8.570  -1.905
  130    HG3  GLN  17           2HG      GLN  17   7.479 -10.171  -1.619
  131   HE21  GLN  17          2HE2      GLN  17   9.961 -10.289  -1.231
  132   HE22  GLN  17          1HE2      GLN  17  10.876 -10.874  -2.575
  133    H    LEU  18           H        LEU  18   6.424  -7.569  -0.534
  134    HA   LEU  18           HA       LEU  18   5.252  -9.743   0.947
  135    HB2  LEU  18           1HB      LEU  18   6.827  -7.302   1.700
  136    HB3  LEU  18           2HB      LEU  18   6.096  -8.341   2.922
  137    HG   LEU  18           HG       LEU  18   7.971  -9.462   0.867
  138   HD11  LEU  18          1HD1      LEU  18   9.731  -9.198   2.677
  139   HD12  LEU  18          2HD1      LEU  18   8.658  -8.000   3.400
  140   HD13  LEU  18          3HD1      LEU  18   9.296  -7.746   1.776
  141   HD21  LEU  18          3HD2      LEU  18   7.211 -10.276   3.670
  142   HD22  LEU  18          1HD2      LEU  18   8.364 -11.118   2.634
  143   HD23  LEU  18          2HD2      LEU  18   6.663 -11.037   2.176
  144    H    ALA  19           H        ALA  19   3.345  -9.779   1.956
  145    HA   ALA  19           HA       ALA  19   1.572  -7.512   1.683
  146    HB1  ALA  19           3HB      ALA  19   0.085  -9.262   3.048
  147    HB2  ALA  19           1HB      ALA  19   0.323  -9.364   1.304
  148    HB3  ALA  19           2HB      ALA  19   1.285 -10.371   2.385
  149    H    ASN  20           H        ASN  20   3.490  -9.002   4.166
  150    HA   ASN  20           HA       ASN  20   2.132  -7.703   6.349
  151    HB2  ASN  20           1HB      ASN  20   4.818  -9.098   6.314
  152    HB3  ASN  20           2HB      ASN  20   3.893  -8.657   7.747
  153   HD21  ASN  20          2HD2      ASN  20   2.403 -10.027   8.497
  154   HD22  ASN  20          1HD2      ASN  20   1.931 -11.497   7.722
  155    H    GLN  21           H        GLN  21   4.670  -6.931   4.158
  156    HA   GLN  21           HA       GLN  21   5.860  -4.898   5.828
  157    HB2  GLN  21           1HB      GLN  21   7.284  -6.073   4.267
  158    HB3  GLN  21           2HB      GLN  21   6.255  -5.609   2.919
  159    HG2  GLN  21           1HG      GLN  21   8.188  -4.231   2.874
  160    HG3  GLN  21           2HG      GLN  21   6.827  -3.234   3.385
  161   HE21  GLN  21          2HE2      GLN  21   8.730  -1.902   4.080
  162   HE22  GLN  21          1HE2      GLN  21   9.329  -2.161   5.679
  163    H    CYS  22           H        CYS  22   3.645  -5.043   3.086
  164    HA   CYS  22           HA       CYS  22   3.497  -2.286   2.566
  165    HB2  CYS  22           1HB      CYS  22   2.182  -4.671   1.676
  166    HB3  CYS  22           2HB      CYS  22   0.966  -3.445   2.020
  167    H    ASN  23           H        ASN  23   1.139  -4.323   4.311
  168    HA   ASN  23           HA       ASN  23  -0.421  -2.225   5.288
  169    HB2  ASN  23           1HB      ASN  23  -1.587  -3.829   6.432
  170    HB3  ASN  23           2HB      ASN  23  -0.708  -4.878   5.324
  171   HD21  ASN  23          2HD2      ASN  23   1.456  -5.619   6.155
  172   HD22  ASN  23          1HD2      ASN  23   1.531  -6.086   7.816
  173    H    TYR  24           H        TYR  24   2.565  -3.596   6.460
  174    HA   TYR  24           HA       TYR  24   2.496  -2.518   9.072
  175    HB2  TYR  24           1HB      TYR  24   4.031  -4.289   8.634
  176    HB3  TYR  24           2HB      TYR  24   4.772  -3.407   7.302
  177    HD1  TYR  24           HD1      TYR  24   4.169  -3.047  10.974
  178    HD2  TYR  24           HD2      TYR  24   6.782  -2.338   7.691
  179    HE1  TYR  24           HE1      TYR  24   5.857  -2.145  12.520
  180    HE2  TYR  24           HE2      TYR  24   8.477  -1.435   9.228
  181    HH   TYR  24           HH       TYR  24   9.092  -1.395  11.473
  182    H    ASP  25           H        ASP  25   3.916  -1.340   6.042
  183    HA   ASP  25           HA       ASP  25   4.890   1.082   7.233
  184    HB2  ASP  25           1HB      ASP  25   4.513   0.512   4.290
  185    HB3  ASP  25           2HB      ASP  25   5.599   1.691   5.023
  186    H    CYS  26           H        CYS  26   2.021   0.094   5.487
  187    HA   CYS  26           HA       CYS  26   1.027   2.695   4.945
  188    HB2  CYS  26           1HB      CYS  26  -0.262  -0.025   5.074
  189    HB3  CYS  26           2HB      CYS  26  -1.197   1.428   4.739
  190    H    LYS  27           H        LYS  27   0.133   0.307   7.436
  191    HA   LYS  27           HA       LYS  27  -1.618   2.041   8.825
  192    HB2  LYS  27           1HB      LYS  27  -0.168  -0.449   9.734
  193    HB3  LYS  27           2HB      LYS  27  -1.413   0.368  10.672
  194    HG2  LYS  27           1HG      LYS  27  -2.735   0.032   8.360
  195    HG3  LYS  27           2HG      LYS  27  -1.652  -1.360   8.297
  196    HD2  LYS  27           1HD      LYS  27  -3.415  -0.683  10.648
  197    HD3  LYS  27           2HD      LYS  27  -3.847  -1.830   9.378
  198    HE2  LYS  27           1HE      LYS  27  -2.166  -3.330  10.002
  199    HE3  LYS  27           2HE      LYS  27  -1.290  -2.107  10.920
  200    HZ1  LYS  27           3HZ      LYS  27  -2.299  -3.338  12.562
  201    HZ2  LYS  27           1HZ      LYS  27  -3.712  -3.601  11.669
  202    HZ3  LYS  27           2HZ      LYS  27  -3.418  -2.085  12.358
  203    H    LEU  28           H        LEU  28   1.733   2.015   8.588
  204    HA   LEU  28           HA       LEU  28   2.329   2.965  11.237
  205    HB2  LEU  28           1HB      LEU  28   3.788   2.083   8.946
  206    HB3  LEU  28           2HB      LEU  28   4.398   3.661   9.440
  207    HG   LEU  28           HG       LEU  28   5.625   1.705  10.399
  208   HD11  LEU  28          1HD1      LEU  28   4.294   3.388  12.507
  209   HD12  LEU  28          2HD1      LEU  28   5.536   4.004  11.417
  210   HD13  LEU  28          3HD1      LEU  28   5.914   2.690  12.533
  211   HD21  LEU  28          3HD2      LEU  28   3.733   1.204  12.518
  212   HD22  LEU  28          1HD2      LEU  28   4.578   0.063  11.470
  213   HD23  LEU  28          2HD2      LEU  28   3.053   0.778  10.946
  214    H    ASP  29           H        ASP  29   2.659   4.491   8.025
  215    HA   ASP  29           HA       ASP  29   2.472   7.116   9.294
  216    HB2  ASP  29           1HB      ASP  29   4.285   6.645   7.643
  217    HB3  ASP  29           2HB      ASP  29   3.051   6.441   6.403
  218    H    LYS  30           H        LYS  30   0.985   5.350   6.581
  219    HA   LYS  30           HA       LYS  30  -1.065   7.283   6.172
  220    HB2  LYS  30           1HB      LYS  30  -1.195   4.392   5.333
  221    HB3  LYS  30           2HB      LYS  30  -1.958   5.780   4.567
  222    HG2  LYS  30           1HG      LYS  30   0.794   6.310   4.555
  223    HG3  LYS  30           2HG      LYS  30   0.614   4.620   4.079
  224    HD2  LYS  30           1HD      LYS  30   0.455   5.753   2.056
  225    HD3  LYS  30           2HD      LYS  30  -1.235   5.505   2.503
  226    HE2  LYS  30           1HE      LYS  30  -1.332   7.716   1.983
  227    HE3  LYS  30           2HE      LYS  30  -0.865   7.859   3.677
  228    HZ1  LYS  30           3HZ      LYS  30   1.428   7.583   2.043
  229    HZ2  LYS  30           1HZ      LYS  30   1.012   8.846   3.087
  230    HZ3  LYS  30           2HZ      LYS  30   0.476   8.865   1.483
  231    H    HIS  31           H        HIS  31  -0.595   4.991   8.569
  232    HA   HIS  31           HA       HIS  31  -1.915   4.042  10.168
  233    HB2  HIS  31           1HB      HIS  31  -3.325   6.644   9.604
  234    HB3  HIS  31           2HB      HIS  31  -3.895   5.538  10.851
  235    HD1  HIS  31           HD1      HIS  31  -1.989   4.946  12.731
  236    HD2  HIS  31           HD2      HIS  31  -1.425   8.378  10.458
  237    HE1  HIS  31           HE1      HIS  31  -0.329   6.336  14.012
  238    H    ALA  32           H        ALA  32  -2.452   3.334   7.355
  239    HA   ALA  32           HA       ALA  32  -5.198   3.092   6.842
  240    HB1  ALA  32           3HB      ALA  32  -2.855   2.405   5.534
  241    HB2  ALA  32           1HB      ALA  32  -3.668   0.863   5.805
  242    HB3  ALA  32           2HB      ALA  32  -4.500   2.159   4.946
  243    H    ARG  33           H        ARG  33  -5.683   0.413   6.358
  244    HA   ARG  33           HA       ARG  33  -5.540  -0.843   9.012
  245    HB2  ARG  33           1HB      ARG  33  -7.908  -1.656   8.595
  246    HB3  ARG  33           2HB      ARG  33  -7.730   0.052   8.976
  247    HG2  ARG  33           1HG      ARG  33  -8.797   0.588   7.118
  248    HG3  ARG  33           2HG      ARG  33  -7.573  -0.245   6.158
  249    HD2  ARG  33           1HD      ARG  33  -8.934  -2.375   6.936
  250    HD3  ARG  33           2HD      ARG  33 -10.232  -1.192   7.095
  251    HE   ARG  33           HE       ARG  33  -8.844  -1.101   4.571
  252   HH11  ARG  33          1HH1      ARG  33 -11.464  -2.517   6.376
  253   HH12  ARG  33          2HH1      ARG  33 -12.383  -2.931   4.967
  254   HH21  ARG  33          1HH2      ARG  33 -10.046  -1.642   2.708
  255   HH22  ARG  33          2HH2      ARG  33 -11.575  -2.434   2.882
  256    H    SER  34           H        SER  34  -6.019  -1.225   5.543
  257    HA   SER  34           HA       SER  34  -5.017  -3.981   5.783
  258    HB2  SER  34           1HB      SER  34  -7.220  -3.051   3.925
  259    HB3  SER  34           2HB      SER  34  -6.532  -4.674   3.971
  260    HG   SER  34           HG       SER  34  -8.563  -4.209   5.208
  261    H    GLY  35           H        GLY  35  -3.463  -1.685   5.266
  262    HA2  GLY  35           1HA      GLY  35  -3.019  -1.010   2.624
  263    HA3  GLY  35           2HA      GLY  35  -1.765  -1.051   3.856
  264    H    GLU  36           H        GLU  36  -2.466  -2.124   0.883
  265    HA   GLU  36           HA       GLU  36  -0.575  -4.330   1.114
  266    HB2  GLU  36           1HB      GLU  36  -3.153  -5.020   1.172
  267    HB3  GLU  36           2HB      GLU  36  -2.970  -4.866  -0.570
  268    HG2  GLU  36           1HG      GLU  36  -1.562  -6.652  -0.726
  269    HG3  GLU  36           2HG      GLU  36  -0.950  -6.454   0.916
  270    H    CYS  37           H        CYS  37   0.038  -5.152  -1.116
  271    HA   CYS  37           HA       CYS  37   0.283  -2.838  -2.908
  272    HB2  CYS  37           1HB      CYS  37   1.966  -5.323  -2.581
  273    HB3  CYS  37           2HB      CYS  37   2.182  -4.185  -3.907
  274    H    PHE  38           H        PHE  38  -0.190  -2.983  -5.084
  275    HA   PHE  38           HA       PHE  38  -1.005  -5.451  -6.299
  276    HB2  PHE  38           1HB      PHE  38  -3.021  -3.536  -5.253
  277    HB3  PHE  38           2HB      PHE  38  -3.321  -4.212  -6.851
  278    HD1  PHE  38           HD1      PHE  38  -2.958  -6.845  -6.977
  279    HD2  PHE  38           HD2      PHE  38  -3.875  -4.652  -3.445
  280    HE1  PHE  38           HE1      PHE  38  -3.856  -8.889  -5.943
  281    HE2  PHE  38           HE2      PHE  38  -4.773  -6.693  -2.407
  282    HZ   PHE  38           HZ       PHE  38  -4.766  -8.815  -3.656
  283    H    TYR  39           H        TYR  39  -1.825  -5.062  -8.564
  284    HA   TYR  39           HA       TYR  39  -0.092  -3.149  -9.835
  285    HB2  TYR  39           1HB      TYR  39  -0.819  -4.149 -11.917
  286    HB3  TYR  39           2HB      TYR  39  -0.472  -5.425 -10.755
  287    HD1  TYR  39           HD2      TYR  39  -3.098  -3.709 -12.644
  288    HD2  TYR  39           HD1      TYR  39  -2.256  -6.800  -9.845
  289    HE1  TYR  39           HE2      TYR  39  -5.342  -4.644 -13.013
  290    HE2  TYR  39           HE1      TYR  39  -4.498  -7.746 -10.208
  291    HH   TYR  39           HH       TYR  39  -6.252  -7.519 -12.442
  292    H    ASP  40           H        ASP  40  -0.718  -1.449 -11.198
  293    HA   ASP  40           HA       ASP  40  -3.386  -0.369 -10.598
  294    HB2  ASP  40           1HB      ASP  40  -2.345   1.823 -11.357
  295    HB3  ASP  40           2HB      ASP  40  -1.721   1.150  -9.853
  296    H    GLU  41           H        GLU  41  -3.865   1.393 -12.505
  297    HA   GLU  41           HA       GLU  41  -4.669  -0.161 -14.708
  298    HB2  GLU  41           1HB      GLU  41  -5.509   1.862 -15.652
  299    HB3  GLU  41           2HB      GLU  41  -5.748   1.967 -13.914
  300    HG2  GLU  41           1HG      GLU  41  -3.481   3.222 -13.932
  301    HG3  GLU  41           2HG      GLU  41  -3.819   3.442 -15.649
  302    H    LYS  42           H        LYS  42  -1.725   1.452 -14.007
  303    HA   LYS  42           HA       LYS  42  -0.869   1.447 -16.801
  304    HB2  LYS  42           1HB      LYS  42   0.630   2.379 -14.347
  305    HB3  LYS  42           2HB      LYS  42   1.093   2.652 -16.021
  306    HG2  LYS  42           1HG      LYS  42  -0.744   4.118 -16.376
  307    HG3  LYS  42           2HG      LYS  42  -1.462   3.689 -14.822
  308    HD2  LYS  42           1HD      LYS  42   0.583   4.634 -13.720
  309    HD3  LYS  42           2HD      LYS  42   1.088   5.224 -15.305
  310    HE2  LYS  42           1HE      LYS  42  -0.009   7.010 -14.141
  311    HE3  LYS  42           2HE      LYS  42  -1.054   6.475 -15.456
  312    HZ1  LYS  42           3HZ      LYS  42  -2.651   6.027 -14.009
  313    HZ2  LYS  42           1HZ      LYS  42  -1.698   6.678 -12.771
  314    HZ3  LYS  42           2HZ      LYS  42  -1.635   5.021 -13.104
  315    H    ARG  43           H        ARG  43  -1.313  -1.001 -15.097
  316    HA   ARG  43           HA       ARG  43  -0.335  -3.016 -14.680
  317    HB2  ARG  43           1HB      ARG  43   1.225  -2.049 -17.069
  318    HB3  ARG  43           2HB      ARG  43   1.488  -3.640 -16.366
  319    HG2  ARG  43           1HG      ARG  43  -0.008  -4.126 -18.031
  320    HG3  ARG  43           2HG      ARG  43  -1.093  -3.881 -16.661
  321    HD2  ARG  43           1HD      ARG  43  -1.627  -1.669 -17.389
  322    HD3  ARG  43           2HD      ARG  43  -0.370  -1.715 -18.625
  323    HE   ARG  43           HE       ARG  43  -1.994  -3.785 -19.288
  324   HH11  ARG  43          1HH1      ARG  43  -2.525  -0.402 -18.663
  325   HH12  ARG  43          2HH1      ARG  43  -3.879  -0.282 -19.737
  326   HH21  ARG  43          1HH2      ARG  43  -3.775  -3.641 -20.705
  327   HH22  ARG  43          2HH2      ARG  43  -4.590  -2.126 -20.897
  328    H    ASN  44           H        ASN  44   0.687  -0.681 -13.231
  329    HA   ASN  44           HA       ASN  44   3.462  -1.527 -12.741
  330    HB2  ASN  44           1HB      ASN  44   2.048   1.089 -12.517
  331    HB3  ASN  44           2HB      ASN  44   3.361   0.764 -11.389
  332   HD21  ASN  44          2HD2      ASN  44   5.226   1.531 -12.029
  333   HD22  ASN  44          1HD2      ASN  44   5.769   1.678 -13.663
  334    H    LEU  45           H        LEU  45   4.109  -2.180 -10.740
  335    HA   LEU  45           HA       LEU  45   1.988  -2.821  -8.849
  336    HB2  LEU  45           1HB      LEU  45   4.870  -3.529  -8.477
  337    HB3  LEU  45           2HB      LEU  45   3.435  -4.380  -7.911
  338    HG   LEU  45           HG       LEU  45   4.462  -4.289 -10.746
  339   HD11  LEU  45          1HD1      LEU  45   5.128  -6.508 -10.463
  340   HD12  LEU  45          2HD1      LEU  45   4.194  -6.697  -8.979
  341   HD13  LEU  45          3HD1      LEU  45   5.655  -5.708  -8.982
  342   HD21  LEU  45          3HD2      LEU  45   2.325  -4.661 -11.291
  343   HD22  LEU  45          1HD2      LEU  45   1.860  -4.989  -9.621
  344   HD23  LEU  45          2HD2      LEU  45   2.573  -6.268 -10.605
  345    H    GLN  46           H        GLN  46   1.613  -1.706  -7.051
  346    HA   GLN  46           HA       GLN  46   3.765  -0.192  -5.792
  347    HB2  GLN  46           1HB      GLN  46   1.120   1.105  -6.458
  348    HB3  GLN  46           2HB      GLN  46   2.511   1.864  -5.694
  349    HG2  GLN  46           1HG      GLN  46   2.514   0.760  -8.492
  350    HG3  GLN  46           2HG      GLN  46   2.208   2.447  -8.087
  351   HE21  GLN  46          2HE2      GLN  46   4.153   2.305  -9.706
  352   HE22  GLN  46          1HE2      GLN  46   5.707   2.392  -8.957
  353    H    CYS  47           H        CYS  47   2.810   0.906  -3.717
  354    HA   CYS  47           HA       CYS  47   1.253  -1.170  -2.340
  355    HB2  CYS  47           1HB      CYS  47   3.600  -0.477  -1.552
  356    HB3  CYS  47           2HB      CYS  47   2.839   1.012  -0.999
  357    H    ILE  48           H        ILE  48  -0.842  -0.714  -2.219
  358    HA   ILE  48           HA       ILE  48  -1.694   2.080  -1.966
  359    HB   ILE  48           HB       ILE  48  -3.398  -0.351  -2.514
  360   HG12  ILE  48          1HG1      ILE  48  -3.434   1.002  -4.833
  361   HG13  ILE  48          2HG1      ILE  48  -1.819   1.435  -4.286
  362   HG21  ILE  48          1HG2      ILE  48  -5.178   0.986  -2.425
  363   HG22  ILE  48          2HG2      ILE  48  -4.127   2.176  -1.659
  364   HG23  ILE  48          3HG2      ILE  48  -4.389   2.223  -3.402
  365   HD11  ILE  48          3HD1      ILE  48  -2.595  -0.878  -5.628
  366   HD12  ILE  48          1HD1      ILE  48  -1.025  -0.534  -4.900
  367   HD13  ILE  48          2HD1      ILE  48  -2.262  -1.384  -3.972
  368    H    CYS  49           H        CYS  49  -2.466   2.866  -0.117
  369    HA   CYS  49           HA       CYS  49  -3.029   0.971   2.064
  370    HB2  CYS  49           1HB      CYS  49  -2.425   3.904   2.407
  371    HB3  CYS  49           2HB      CYS  49  -2.344   2.625   3.616
  372    H    ASP  50           H        ASP  50  -4.969   0.971   3.057
  373    HA   ASP  50           HA       ASP  50  -6.947   2.950   2.133
  374    HB2  ASP  50           1HB      ASP  50  -7.707   0.258   3.220
  375    HB3  ASP  50           2HB      ASP  50  -8.614   1.315   2.142
  376    H    TYR  51           H        TYR  51  -7.700   4.293   3.623
  377    HA   TYR  51           HA       TYR  51  -7.462   3.518   6.456
  378    HB2  TYR  51           1HB      TYR  51  -6.045   5.425   5.876
  379    HB3  TYR  51           2HB      TYR  51  -7.436   6.281   5.221
  380    HD1  TYR  51           HD2      TYR  51  -6.914   4.389   8.403
  381    HD2  TYR  51           HD1      TYR  51  -7.907   8.097   6.566
  382    HE1  TYR  51           HE2      TYR  51  -7.353   5.362  10.619
  383    HE2  TYR  51           HE1      TYR  51  -8.348   9.080   8.778
  384    HH   TYR  51           HH       TYR  51  -9.064   7.794  11.254
  385    H    CYS  52           H        CYS  52  -9.347   2.970   7.307
  386    HA   CYS  52           HA       CYS  52 -11.743   4.495   6.519
  387    HB2  CYS  52           1HB      CYS  52 -11.613   2.066   5.717
  388    HB3  CYS  52           2HB      CYS  52 -11.803   1.616   7.409
  389    H    GLU  53           H        GLU  53 -13.050   5.231   8.122
  390    HA   GLU  53           HA       GLU  53 -12.021   5.004  10.840
  391    HB2  GLU  53           1HB      GLU  53 -12.827   7.178   9.554
  392    HB3  GLU  53           2HB      GLU  53 -14.397   6.676  10.165
  393    HG2  GLU  53           1HG      GLU  53 -11.947   7.388  11.748
  394    HG3  GLU  53           2HG      GLU  53 -13.500   8.222  11.714
  395    H    TYR  54           H        TYR  54 -12.685   3.134  11.749
  396    HA   TYR  54           HA       TYR  54 -15.468   2.299  11.457
  397    HB2  TYR  54           1HB      TYR  54 -13.433   0.726  11.257
  398    HB3  TYR  54           2HB      TYR  54 -13.353   0.825  13.012
  399    HD1  TYR  54           HD1      TYR  54 -15.932   0.222  10.366
  400    HD2  TYR  54           HD2      TYR  54 -14.396  -0.858  14.185
  401    HE1  TYR  54           HE1      TYR  54 -17.624  -1.554  10.537
  402    HE2  TYR  54           HE2      TYR  54 -16.083  -2.638  14.366
  403    HH   TYR  54           HH       TYR  54 -18.695  -2.933  12.092
  Start of MODEL    6
    1    H1   ASP   2           H        ASP   2 -17.441   2.631   1.347
    2    HA   ASP   2           HA       ASP   2 -16.749   4.980   1.383
    3    HB2  ASP   2           1HB      ASP   2 -17.964   3.940   3.942
    4    HB3  ASP   2           2HB      ASP   2 -17.788   5.658   3.600
    5    H    CYS   3           H        CYS   3 -14.325   3.664   1.723
    6    HA   CYS   3           HA       CYS   3 -13.160   5.050   4.049
    7    HB2  CYS   3           1HB      CYS   3 -11.891   2.725   2.609
    8    HB3  CYS   3           2HB      CYS   3 -11.497   3.367   4.200
    9    H    LYS   4           H        LYS   4 -10.723   5.491   3.657
   10    HA   LYS   4           HA       LYS   4 -10.454   6.721   0.993
   11    HB2  LYS   4           1HB      LYS   4 -10.490   8.520   2.470
   12    HB3  LYS   4           2HB      LYS   4  -9.625   7.637   3.722
   13    HG2  LYS   4           1HG      LYS   4  -7.582   8.107   2.841
   14    HG3  LYS   4           2HG      LYS   4  -8.189   8.185   1.187
   15    HD2  LYS   4           1HD      LYS   4  -8.825  10.254   3.281
   16    HD3  LYS   4           2HD      LYS   4  -7.450  10.381   2.182
   17    HE2  LYS   4           1HE      LYS   4  -9.175  10.057   0.309
   18    HE3  LYS   4           2HE      LYS   4 -10.383  10.418   1.541
   19    HZ1  LYS   4           3HZ      LYS   4  -8.770  12.450   1.934
   20    HZ2  LYS   4           1HZ      LYS   4  -9.998  12.500   0.771
   21    HZ3  LYS   4           2HZ      LYS   4  -8.404  12.175   0.306
   22    H    ARG   5           H        ARG   5  -8.939   5.885  -0.271
   23    HA   ARG   5           HA       ARG   5  -6.587   4.632   0.983
   24    HB2  ARG   5           1HB      ARG   5  -6.606   2.975  -0.884
   25    HB3  ARG   5           2HB      ARG   5  -7.979   2.835   0.206
   26    HG2  ARG   5           1HG      ARG   5  -8.990   2.628  -1.842
   27    HG3  ARG   5           2HG      ARG   5  -9.167   4.359  -1.538
   28    HD2  ARG   5           1HD      ARG   5  -7.617   4.935  -3.121
   29    HD3  ARG   5           2HD      ARG   5  -6.730   3.419  -2.959
   30    HE   ARG   5           HE       ARG   5  -9.346   3.082  -4.084
   31   HH11  ARG   5          1HH1      ARG   5  -6.029   3.880  -4.781
   32   HH12  ARG   5          2HH1      ARG   5  -6.124   3.394  -6.441
   33   HH21  ARG   5          1HH2      ARG   5  -9.483   2.438  -6.269
   34   HH22  ARG   5          2HH2      ARG   5  -8.090   2.574  -7.286
   35    H    LYS   6           H        LYS   6  -4.682   4.544  -0.407
   36    HA   LYS   6           HA       LYS   6  -4.582   6.105  -2.805
   37    HB2  LYS   6           1HB      LYS   6  -4.656   7.901  -1.114
   38    HB3  LYS   6           2HB      LYS   6  -3.235   7.216  -0.336
   39    HG2  LYS   6           1HG      LYS   6  -1.819   8.044  -1.883
   40    HG3  LYS   6           2HG      LYS   6  -2.968   7.833  -3.207
   41    HD2  LYS   6           1HD      LYS   6  -3.568   9.881  -1.134
   42    HD3  LYS   6           2HD      LYS   6  -2.302  10.233  -2.312
   43    HE2  LYS   6           1HE      LYS   6  -4.133  11.065  -3.409
   44    HE3  LYS   6           2HE      LYS   6  -4.114   9.413  -4.026
   45    HZ1  LYS   6           3HZ      LYS   6  -5.992   8.888  -2.931
   46    HZ2  LYS   6           1HZ      LYS   6  -6.266  10.557  -2.975
   47    HZ3  LYS   6           2HZ      LYS   6  -5.626   9.842  -1.582
   48    H    VAL   7           H        VAL   7  -2.663   5.827  -3.939
   49    HA   VAL   7           HA       VAL   7  -0.958   3.679  -2.918
   50    HB   VAL   7           HB       VAL   7  -1.923   3.363  -5.145
   51   HG11  VAL   7          1HG1      VAL   7  -1.506   6.043  -5.490
   52   HG12  VAL   7          2HG1      VAL   7  -0.234   5.336  -6.487
   53   HG13  VAL   7          3HG1      VAL   7  -1.920   4.904  -6.770
   54   HG21  VAL   7          3HG2      VAL   7   0.733   3.629  -6.139
   55   HG22  VAL   7          1HG2      VAL   7   0.810   3.146  -4.445
   56   HG23  VAL   7          2HG2      VAL   7  -0.103   2.173  -5.597
   57    H    TYR   8           H        TYR   8   1.144   3.938  -2.429
   58    HA   TYR   8           HA       TYR   8   2.271   6.637  -2.733
   59    HB2  TYR   8           1HB      TYR   8   2.135   4.875  -0.518
   60    HB3  TYR   8           2HB      TYR   8   3.829   4.987  -0.982
   61    HD1  TYR   8           HD2      TYR   8   4.106   7.739  -1.873
   62    HD2  TYR   8           HD1      TYR   8   1.863   6.171   1.384
   63    HE1  TYR   8           HE2      TYR   8   4.285   9.902  -0.717
   64    HE2  TYR   8           HE1      TYR   8   2.035   8.331   2.549
   65    HH   TYR   8           HH       TYR   8   3.931  10.396   2.326
   66    H    GLU   9           H        GLU   9   3.089   6.421  -4.816
   67    HA   GLU   9           HA       GLU   9   4.678   4.238  -5.675
   68    HB2  GLU   9           1HB      GLU   9   5.233   5.622  -7.592
   69    HB3  GLU   9           2HB      GLU   9   3.518   5.762  -7.229
   70    HG2  GLU   9           1HG      GLU   9   3.753   7.922  -6.376
   71    HG3  GLU   9           2HG      GLU   9   5.500   7.758  -6.200
   72    H    ASN  10           H        ASN  10   5.331   6.881  -3.640
   73    HA   ASN  10           HA       ASN  10   8.043   7.363  -4.168
   74    HB2  ASN  10           1HB      ASN  10   6.164   7.899  -1.963
   75    HB3  ASN  10           2HB      ASN  10   7.854   7.796  -1.477
   76   HD21  ASN  10          2HD2      ASN  10   6.306   9.027  -4.415
   77   HD22  ASN  10          1HD2      ASN  10   6.971  10.619  -4.305
   78    H    TYR  11           H        TYR  11   6.477   4.671  -2.753
   79    HA   TYR  11           HA       TYR  11   8.914   3.728  -1.446
   80    HB2  TYR  11           1HB      TYR  11   6.034   2.948  -1.356
   81    HB3  TYR  11           2HB      TYR  11   7.241   1.730  -0.963
   82    HD1  TYR  11           HD1      TYR  11   9.249   3.094   0.544
   83    HD2  TYR  11           HD2      TYR  11   5.040   3.709   0.582
   84    HE1  TYR  11           HE1      TYR  11   9.406   3.983   2.832
   85    HE2  TYR  11           HE2      TYR  11   5.184   4.600   2.869
   86    HH   TYR  11           HH       TYR  11   6.818   5.612   4.350
   87    HA   PRO  12           HA       PRO  12  10.134   1.039  -4.696
   88    HB2  PRO  12           1HB      PRO  12  11.240  -1.000  -3.287
   89    HB3  PRO  12           2HB      PRO  12  12.007   0.584  -3.447
   90    HG2  PRO  12           1HG      PRO  12  10.390  -0.516  -1.181
   91    HG3  PRO  12           2HG      PRO  12  11.894   0.422  -1.130
   92    HD2  PRO  12           1HD      PRO  12   9.467   1.535  -0.682
   93    HD3  PRO  12           2HD      PRO  12  10.802   2.427  -1.441
   94    H    VAL  13           H        VAL  13   9.445  -0.721  -5.861
   95    HA   VAL  13           HA       VAL  13   6.920  -1.834  -5.206
   96    HB   VAL  13           HB       VAL  13   8.859  -2.805  -7.309
   97   HG11  VAL  13          1HG1      VAL  13   6.118  -3.511  -6.561
   98   HG12  VAL  13          2HG1      VAL  13   6.333  -3.163  -8.278
   99   HG13  VAL  13          3HG1      VAL  13   7.308  -4.411  -7.501
  100   HG21  VAL  13          3HG2      VAL  13   6.909  -0.530  -7.287
  101   HG22  VAL  13          1HG2      VAL  13   8.579  -0.562  -7.852
  102   HG23  VAL  13          2HG2      VAL  13   7.315  -1.355  -8.792
  103    H    SER  14           H        SER  14  10.093  -2.692  -4.348
  104    HA   SER  14           HA       SER  14   9.979  -5.473  -4.207
  105    HB2  SER  14           1HB      SER  14  11.500  -3.388  -2.674
  106    HB3  SER  14           2HB      SER  14  11.607  -5.084  -2.201
  107    HG   SER  14           HG       SER  14  12.278  -3.940  -4.707
  108    H    LYS  15           H        LYS  15   8.715  -3.019  -2.042
  109    HA   LYS  15           HA       LYS  15   8.151  -4.624   0.180
  110    HB2  LYS  15           1HB      LYS  15   6.457  -2.304  -0.741
  111    HB3  LYS  15           2HB      LYS  15   6.691  -2.880   0.905
  112    HG2  LYS  15           1HG      LYS  15   8.711  -1.496  -0.843
  113    HG3  LYS  15           2HG      LYS  15   7.937  -0.863   0.611
  114    HD2  LYS  15           1HD      LYS  15   8.998  -3.021   1.697
  115    HD3  LYS  15           2HD      LYS  15  10.108  -2.885   0.332
  116    HE2  LYS  15           1HE      LYS  15  10.271  -0.391   1.079
  117    HE3  LYS  15           2HE      LYS  15   9.661  -1.006   2.614
  118    HZ1  LYS  15           3HZ      LYS  15  12.210  -0.891   2.140
  119    HZ2  LYS  15           1HZ      LYS  15  11.935  -2.366   1.358
  120    HZ3  LYS  15           2HZ      LYS  15  11.556  -2.195   2.998
  121    H    CYS  16           H        CYS  16   6.394  -4.110  -2.815
  122    HA   CYS  16           HA       CYS  16   3.921  -5.180  -2.136
  123    HB2  CYS  16           1HB      CYS  16   4.287  -4.059  -4.259
  124    HB3  CYS  16           2HB      CYS  16   5.407  -5.321  -4.766
  125    H    GLN  17           H        GLN  17   6.962  -6.753  -2.675
  126    HA   GLN  17           HA       GLN  17   6.043  -9.350  -3.247
  127    HB2  GLN  17           1HB      GLN  17   8.578  -8.618  -1.777
  128    HB3  GLN  17           2HB      GLN  17   8.266 -10.096  -2.678
  129    HG2  GLN  17           1HG      GLN  17   8.349  -7.350  -3.904
  130    HG3  GLN  17           2HG      GLN  17   9.715  -8.462  -3.854
  131   HE21  GLN  17          2HE2      GLN  17   9.488 -10.502  -4.955
  132   HE22  GLN  17          1HE2      GLN  17   8.461 -10.618  -6.339
  133    H    LEU  18           H        LEU  18   6.081  -7.524  -0.341
  134    HA   LEU  18           HA       LEU  18   5.418  -9.942   1.207
  135    HB2  LEU  18           1HB      LEU  18   6.451  -7.335   2.302
  136    HB3  LEU  18           2HB      LEU  18   6.230  -8.849   3.176
  137    HG   LEU  18           HG       LEU  18   8.206  -8.527   0.927
  138   HD11  LEU  18          1HD1      LEU  18   9.836  -8.531   2.956
  139   HD12  LEU  18          2HD1      LEU  18   8.446  -7.890   3.834
  140   HD13  LEU  18          3HD1      LEU  18   9.082  -7.023   2.435
  141   HD21  LEU  18          3HD2      LEU  18   7.228 -10.756   2.319
  142   HD22  LEU  18          1HD2      LEU  18   8.845 -10.453   2.956
  143   HD23  LEU  18          2HD2      LEU  18   8.609 -10.689   1.224
  144    H    ALA  19           H        ALA  19   3.519 -10.019   2.283
  145    HA   ALA  19           HA       ALA  19   1.604  -7.896   1.749
  146    HB1  ALA  19           3HB      ALA  19   1.424 -10.731   2.631
  147    HB2  ALA  19           1HB      ALA  19   0.096  -9.638   3.020
  148    HB3  ALA  19           2HB      ALA  19   0.567  -9.893   1.339
  149    H    ASN  20           H        ASN  20   3.500  -9.130   4.368
  150    HA   ASN  20           HA       ASN  20   1.928  -7.788   6.403
  151    HB2  ASN  20           1HB      ASN  20   4.452  -9.437   6.480
  152    HB3  ASN  20           2HB      ASN  20   3.837  -8.597   7.902
  153   HD21  ASN  20          2HD2      ASN  20   1.674  -9.141   8.616
  154   HD22  ASN  20          1HD2      ASN  20   1.082 -10.745   8.366
  155    H    GLN  21           H        GLN  21   4.633  -7.136   4.387
  156    HA   GLN  21           HA       GLN  21   5.756  -5.074   6.054
  157    HB2  GLN  21           1HB      GLN  21   7.046  -6.481   4.383
  158    HB3  GLN  21           2HB      GLN  21   6.284  -5.526   3.119
  159    HG2  GLN  21           1HG      GLN  21   8.142  -4.286   3.320
  160    HG3  GLN  21           2HG      GLN  21   7.251  -3.551   4.651
  161   HE21  GLN  21          2HE2      GLN  21   8.639  -3.148   6.217
  162   HE22  GLN  21          1HE2      GLN  21   9.824  -4.245   6.829
  163    H    CYS  22           H        CYS  22   3.694  -5.230   3.189
  164    HA   CYS  22           HA       CYS  22   3.599  -2.489   2.618
  165    HB2  CYS  22           1HB      CYS  22   2.350  -4.850   1.670
  166    HB3  CYS  22           2HB      CYS  22   1.066  -3.704   2.042
  167    H    ASN  23           H        ASN  23   1.105  -4.429   4.281
  168    HA   ASN  23           HA       ASN  23  -0.439  -2.283   5.157
  169    HB2  ASN  23           1HB      ASN  23  -1.641  -3.822   6.410
  170    HB3  ASN  23           2HB      ASN  23  -0.891  -4.861   5.201
  171   HD21  ASN  23          2HD2      ASN  23  -1.583  -4.628   8.363
  172   HD22  ASN  23          1HD2      ASN  23  -0.337  -5.627   9.025
  173    H    TYR  24           H        TYR  24   2.444  -3.721   6.516
  174    HA   TYR  24           HA       TYR  24   2.305  -2.608   9.093
  175    HB2  TYR  24           1HB      TYR  24   3.870  -4.359   8.725
  176    HB3  TYR  24           2HB      TYR  24   4.631  -3.500   7.392
  177    HD1  TYR  24           HD1      TYR  24   3.762  -2.445  10.871
  178    HD2  TYR  24           HD2      TYR  24   6.821  -3.042   7.974
  179    HE1  TYR  24           HE1      TYR  24   5.415  -1.505  12.431
  180    HE2  TYR  24           HE2      TYR  24   8.482  -2.104   9.527
  181    HH   TYR  24           HH       TYR  24   7.933  -1.692  12.779
  182    H    ASP  25           H        ASP  25   3.948  -1.449   6.158
  183    HA   ASP  25           HA       ASP  25   4.816   0.987   7.369
  184    HB2  ASP  25           1HB      ASP  25   4.771  -0.079   4.563
  185    HB3  ASP  25           2HB      ASP  25   5.162   1.613   4.860
  186    H    CYS  26           H        CYS  26   1.987  -0.030   5.601
  187    HA   CYS  26           HA       CYS  26   1.016   2.562   4.960
  188    HB2  CYS  26           1HB      CYS  26  -0.235  -0.170   5.092
  189    HB3  CYS  26           2HB      CYS  26  -1.218   1.260   4.789
  190    H    LYS  27           H        LYS  27   0.438   0.334   7.646
  191    HA   LYS  27           HA       LYS  27  -1.461   2.081   8.919
  192    HB2  LYS  27           1HB      LYS  27  -0.017  -0.333  10.032
  193    HB3  LYS  27           2HB      LYS  27  -1.416   0.457  10.747
  194    HG2  LYS  27           1HG      LYS  27  -2.867  -0.382   9.174
  195    HG3  LYS  27           2HG      LYS  27  -1.598  -0.600   7.965
  196    HD2  LYS  27           1HD      LYS  27  -2.262  -2.765   8.746
  197    HD3  LYS  27           2HD      LYS  27  -0.655  -2.420   9.390
  198    HE2  LYS  27           1HE      LYS  27  -1.850  -1.587  11.479
  199    HE3  LYS  27           2HE      LYS  27  -3.298  -2.348  10.821
  200    HZ1  LYS  27           3HZ      LYS  27  -2.523  -4.097  11.984
  201    HZ2  LYS  27           1HZ      LYS  27  -0.917  -3.566  11.959
  202    HZ3  LYS  27           2HZ      LYS  27  -1.570  -4.348  10.610
  203    H    LEU  28           H        LEU  28   1.875   2.063   8.661
  204    HA   LEU  28           HA       LEU  28   2.488   3.051  11.296
  205    HB2  LEU  28           1HB      LEU  28   3.998   1.774   9.584
  206    HB3  LEU  28           2HB      LEU  28   4.302   3.390   8.949
  207    HG   LEU  28           HG       LEU  28   6.067   2.664  10.477
  208   HD11  LEU  28          1HD1      LEU  28   6.316   4.695  11.491
  209   HD12  LEU  28          2HD1      LEU  28   4.629   4.779  11.995
  210   HD13  LEU  28          3HD1      LEU  28   5.063   5.090  10.315
  211   HD21  LEU  28          3HD2      LEU  28   4.501   1.243  11.872
  212   HD22  LEU  28          1HD2      LEU  28   4.022   2.735  12.681
  213   HD23  LEU  28          2HD2      LEU  28   5.697   2.189  12.758
  214    H    ASP  29           H        ASP  29   2.796   4.508   8.051
  215    HA   ASP  29           HA       ASP  29   2.644   7.160   9.262
  216    HB2  ASP  29           1HB      ASP  29   3.603   6.077   6.658
  217    HB3  ASP  29           2HB      ASP  29   3.010   7.734   6.685
  218    H    LYS  30           H        LYS  30   1.096   5.352   6.613
  219    HA   LYS  30           HA       LYS  30  -0.955   7.289   6.216
  220    HB2  LYS  30           1HB      LYS  30  -0.272   4.625   5.149
  221    HB3  LYS  30           2HB      LYS  30  -1.986   5.019   5.129
  222    HG2  LYS  30           1HG      LYS  30   0.044   6.927   4.036
  223    HG3  LYS  30           2HG      LYS  30  -0.564   5.582   3.067
  224    HD2  LYS  30           1HD      LYS  30  -2.686   7.071   4.396
  225    HD3  LYS  30           2HD      LYS  30  -1.727   8.074   3.306
  226    HE2  LYS  30           1HE      LYS  30  -3.032   7.271   1.680
  227    HE3  LYS  30           2HE      LYS  30  -2.107   5.780   1.845
  228    HZ1  LYS  30           3HZ      LYS  30  -3.756   4.952   3.385
  229    HZ2  LYS  30           1HZ      LYS  30  -4.501   5.392   1.932
  230    HZ3  LYS  30           2HZ      LYS  30  -4.630   6.396   3.286
  231    H    HIS  31           H        HIS  31  -0.445   5.026   8.629
  232    HA   HIS  31           HA       HIS  31  -1.737   4.099  10.264
  233    HB2  HIS  31           1HB      HIS  31  -3.216   6.662   9.681
  234    HB3  HIS  31           2HB      HIS  31  -3.680   5.585  10.995
  235    HD1  HIS  31           HD1      HIS  31  -1.766   8.502  10.431
  236    HD2  HIS  31           HD2      HIS  31  -1.220   5.086  12.732
  237    HE1  HIS  31           HE1      HIS  31  -0.058   9.127  12.167
  238    H    ALA  32           H        ALA  32  -2.312   3.343   7.471
  239    HA   ALA  32           HA       ALA  32  -5.063   3.082   7.000
  240    HB1  ALA  32           3HB      ALA  32  -2.732   2.374   5.677
  241    HB2  ALA  32           1HB      ALA  32  -3.543   0.838   5.982
  242    HB3  ALA  32           2HB      ALA  32  -4.383   2.121   5.111
  243    H    ARG  33           H        ARG  33  -5.547   0.394   6.572
  244    HA   ARG  33           HA       ARG  33  -5.380  -0.803   9.253
  245    HB2  ARG  33           1HB      ARG  33  -7.620   0.298   8.757
  246    HB3  ARG  33           2HB      ARG  33  -7.852  -0.941   7.532
  247    HG2  ARG  33           1HG      ARG  33  -8.912  -1.963   9.245
  248    HG3  ARG  33           2HG      ARG  33  -7.273  -2.522   9.592
  249    HD2  ARG  33           1HD      ARG  33  -6.970  -0.802  11.235
  250    HD3  ARG  33           2HD      ARG  33  -8.503  -0.048  10.795
  251    HE   ARG  33           HE       ARG  33  -9.079  -2.647  11.564
  252   HH11  ARG  33          1HH1      ARG  33  -7.732   0.227  12.993
  253   HH12  ARG  33          2HH1      ARG  33  -8.293  -0.147  14.590
  254   HH21  ARG  33          1HH2      ARG  33  -9.822  -3.151  13.661
  255   HH22  ARG  33          2HH2      ARG  33  -9.481  -2.070  14.968
  256    H    SER  34           H        SER  34  -5.910  -1.295   5.798
  257    HA   SER  34           HA       SER  34  -4.776  -3.991   6.084
  258    HB2  SER  34           1HB      SER  34  -7.194  -3.240   4.424
  259    HB3  SER  34           2HB      SER  34  -6.366  -4.794   4.334
  260    HG   SER  34           HG       SER  34  -6.789  -4.793   6.739
  261    H    GLY  35           H        GLY  35  -3.379  -1.660   5.374
  262    HA2  GLY  35           1HA      GLY  35  -3.146  -1.022   2.709
  263    HA3  GLY  35           2HA      GLY  35  -1.792  -1.038   3.830
  264    H    GLU  36           H        GLU  36  -2.556  -2.036   0.910
  265    HA   GLU  36           HA       GLU  36  -0.695  -4.265   1.017
  266    HB2  GLU  36           1HB      GLU  36  -3.242  -4.989   1.228
  267    HB3  GLU  36           2HB      GLU  36  -3.201  -4.776  -0.516
  268    HG2  GLU  36           1HG      GLU  36  -1.755  -6.525  -0.838
  269    HG3  GLU  36           2HG      GLU  36  -1.081  -6.408   0.787
  270    H    CYS  37           H        CYS  37  -0.308  -5.103  -1.300
  271    HA   CYS  37           HA       CYS  37  -0.073  -2.749  -3.039
  272    HB2  CYS  37           1HB      CYS  37   1.828  -3.746  -4.014
  273    HB3  CYS  37           2HB      CYS  37   1.981  -4.083  -2.293
  274    H    PHE  38           H        PHE  38  -0.362  -3.030  -5.347
  275    HA   PHE  38           HA       PHE  38  -1.612  -5.353  -6.415
  276    HB2  PHE  38           1HB      PHE  38  -3.311  -3.205  -5.327
  277    HB3  PHE  38           2HB      PHE  38  -3.713  -3.701  -6.969
  278    HD1  PHE  38           HD1      PHE  38  -3.656  -6.395  -7.239
  279    HD2  PHE  38           HD2      PHE  38  -4.468  -4.245  -3.656
  280    HE1  PHE  38           HE1      PHE  38  -4.877  -8.339  -6.353
  281    HE2  PHE  38           HE2      PHE  38  -5.690  -6.186  -2.764
  282    HZ   PHE  38           HZ       PHE  38  -5.897  -8.236  -4.113
  283    H    TYR  39           H        TYR  39  -2.324  -5.007  -8.687
  284    HA   TYR  39           HA       TYR  39  -0.392  -3.391 -10.056
  285    HB2  TYR  39           1HB      TYR  39  -1.176  -4.421 -12.055
  286    HB3  TYR  39           2HB      TYR  39  -1.212  -5.666 -10.811
  287    HD1  TYR  39           HD1      TYR  39  -3.387  -6.365  -9.830
  288    HD2  TYR  39           HD2      TYR  39  -3.173  -3.691 -13.133
  289    HE1  TYR  39           HE1      TYR  39  -5.757  -6.795 -10.325
  290    HE2  TYR  39           HE2      TYR  39  -5.542  -4.112 -13.635
  291    HH   TYR  39           HH       TYR  39  -7.304  -6.654 -12.192
  292    H    ASP  40           H        ASP  40  -0.680  -1.525 -11.177
  293    HA   ASP  40           HA       ASP  40  -3.226  -0.137 -10.749
  294    HB2  ASP  40           1HB      ASP  40  -1.871   1.896 -11.455
  295    HB3  ASP  40           2HB      ASP  40  -1.405   1.143  -9.932
  296    H    GLU  41           H        GLU  41  -3.395   1.679 -12.657
  297    HA   GLU  41           HA       GLU  41  -4.320   0.255 -14.899
  298    HB2  GLU  41           1HB      GLU  41  -4.834   2.382 -15.863
  299    HB3  GLU  41           2HB      GLU  41  -5.141   2.498 -14.136
  300    HG2  GLU  41           1HG      GLU  41  -2.879   3.545 -13.898
  301    HG3  GLU  41           2HG      GLU  41  -2.795   3.598 -15.657
  302    H    LYS  42           H        LYS  42  -1.216   1.480 -14.087
  303    HA   LYS  42           HA       LYS  42  -0.270   1.347 -16.848
  304    HB2  LYS  42           1HB      LYS  42   1.220   2.121 -14.333
  305    HB3  LYS  42           2HB      LYS  42   1.816   2.280 -15.981
  306    HG2  LYS  42           1HG      LYS  42  -0.572   3.725 -14.846
  307    HG3  LYS  42           2HG      LYS  42   1.041   4.412 -15.058
  308    HD2  LYS  42           1HD      LYS  42  -0.662   3.303 -17.290
  309    HD3  LYS  42           2HD      LYS  42  -0.539   5.014 -16.876
  310    HE2  LYS  42           1HE      LYS  42   2.039   4.546 -17.129
  311    HE3  LYS  42           2HE      LYS  42   1.474   3.205 -18.124
  312    HZ1  LYS  42           3HZ      LYS  42   0.346   4.710 -19.560
  313    HZ2  LYS  42           1HZ      LYS  42   1.925   5.286 -19.369
  314    HZ3  LYS  42           2HZ      LYS  42   0.650   6.025 -18.540
  315    H    ARG  43           H        ARG  43  -1.081  -1.015 -15.169
  316    HA   ARG  43           HA       ARG  43  -0.377  -3.133 -14.704
  317    HB2  ARG  43           1HB      ARG  43   1.486  -2.448 -16.981
  318    HB3  ARG  43           2HB      ARG  43   1.287  -4.068 -16.327
  319    HG2  ARG  43           1HG      ARG  43  -0.130  -4.135 -18.122
  320    HG3  ARG  43           2HG      ARG  43  -1.238  -3.650 -16.838
  321    HD2  ARG  43           1HD      ARG  43  -1.184  -1.381 -17.529
  322    HD3  ARG  43           2HD      ARG  43   0.177  -1.675 -18.611
  323    HE   ARG  43           HE       ARG  43  -1.796  -3.301 -19.553
  324   HH11  ARG  43          1HH1      ARG  43  -1.533   0.106 -18.890
  325   HH12  ARG  43          2HH1      ARG  43  -2.655   0.566 -20.127
  326   HH21  ARG  43          1HH2      ARG  43  -3.275  -2.707 -21.186
  327   HH22  ARG  43          2HH2      ARG  43  -3.646  -1.034 -21.431
  328    H    ASN  44           H        ASN  44   0.872  -0.947 -13.215
  329    HA   ASN  44           HA       ASN  44   3.503  -2.129 -12.630
  330    HB2  ASN  44           1HB      ASN  44   2.433   0.647 -12.498
  331    HB3  ASN  44           2HB      ASN  44   3.621   0.179 -11.284
  332   HD21  ASN  44          2HD2      ASN  44   3.980   2.149 -13.281
  333   HD22  ASN  44          1HD2      ASN  44   5.268   1.627 -14.309
  334    H    LEU  45           H        LEU  45   4.075  -2.621 -10.511
  335    HA   LEU  45           HA       LEU  45   1.797  -3.009  -8.708
  336    HB2  LEU  45           1HB      LEU  45   4.546  -4.165  -8.367
  337    HB3  LEU  45           2HB      LEU  45   3.030  -4.720  -7.659
  338    HG   LEU  45           HG       LEU  45   3.735  -4.909 -10.587
  339   HD11  LEU  45          1HD1      LEU  45   5.179  -6.413  -9.542
  340   HD12  LEU  45          2HD1      LEU  45   3.787  -7.397  -9.989
  341   HD13  LEU  45          3HD1      LEU  45   3.986  -6.857  -8.323
  342   HD21  LEU  45          3HD2      LEU  45   1.572  -5.311 -10.876
  343   HD22  LEU  45          1HD2      LEU  45   1.274  -5.176  -9.143
  344   HD23  LEU  45          2HD2      LEU  45   1.732  -6.730  -9.840
  345    H    GLN  46           H        GLN  46   1.525  -1.651  -7.077
  346    HA   GLN  46           HA       GLN  46   3.892  -0.469  -5.802
  347    HB2  GLN  46           1HB      GLN  46   1.356   1.064  -6.389
  348    HB3  GLN  46           2HB      GLN  46   2.830   1.695  -5.667
  349    HG2  GLN  46           1HG      GLN  46   2.507   0.697  -8.487
  350    HG3  GLN  46           2HG      GLN  46   2.661   2.376  -7.976
  351   HE21  GLN  46          2HE2      GLN  46   4.675   2.240  -6.153
  352   HE22  GLN  46          1HE2      GLN  46   6.139   1.746  -6.925
  353    H    CYS  47           H        CYS  47   3.316   0.538  -3.649
  354    HA   CYS  47           HA       CYS  47   1.598  -1.335  -2.210
  355    HB2  CYS  47           1HB      CYS  47   4.003  -0.782  -1.519
  356    HB3  CYS  47           2HB      CYS  47   3.370   0.769  -0.979
  357    H    ILE  48           H        ILE  48  -0.463  -0.759  -2.021
  358    HA   ILE  48           HA       ILE  48  -1.131   2.084  -1.715
  359    HB   ILE  48           HB       ILE  48  -2.980  -0.221  -2.337
  360   HG12  ILE  48          1HG1      ILE  48  -2.929   1.377  -4.560
  361   HG13  ILE  48          2HG1      ILE  48  -1.254   1.464  -4.025
  362   HG21  ILE  48          1HG2      ILE  48  -3.420   2.761  -2.393
  363   HG22  ILE  48          2HG2      ILE  48  -4.576   1.548  -2.942
  364   HG23  ILE  48          3HG2      ILE  48  -4.114   1.620  -1.241
  365   HD11  ILE  48          3HD1      ILE  48  -0.957  -0.415  -5.167
  366   HD12  ILE  48          1HD1      ILE  48  -1.826  -1.219  -3.860
  367   HD13  ILE  48          2HD1      ILE  48  -2.692  -0.701  -5.307
  368    H    CYS  49           H        CYS  49  -2.401   2.823  -0.025
  369    HA   CYS  49           HA       CYS  49  -2.754   0.937   2.211
  370    HB2  CYS  49           1HB      CYS  49  -2.336   3.909   2.508
  371    HB3  CYS  49           2HB      CYS  49  -2.241   2.672   3.756
  372    H    ASP  50           H        ASP  50  -4.698   0.852   3.209
  373    HA   ASP  50           HA       ASP  50  -6.779   2.707   2.248
  374    HB2  ASP  50           1HB      ASP  50  -7.065  -0.217   2.972
  375    HB3  ASP  50           2HB      ASP  50  -8.398   0.853   2.544
  376    H    TYR  51           H        TYR  51  -7.725   3.900   3.761
  377    HA   TYR  51           HA       TYR  51  -7.514   3.020   6.566
  378    HB2  TYR  51           1HB      TYR  51  -6.198   5.071   5.958
  379    HB3  TYR  51           2HB      TYR  51  -7.720   5.872   5.585
  380    HD1  TYR  51           HD2      TYR  51  -6.941   3.572   8.405
  381    HD2  TYR  51           HD1      TYR  51  -7.875   7.546   7.208
  382    HE1  TYR  51           HE2      TYR  51  -7.169   4.224  10.767
  383    HE2  TYR  51           HE1      TYR  51  -8.104   8.209   9.565
  384    HH   TYR  51           HH       TYR  51  -7.159   7.330  11.825
  385    H    CYS  52           H        CYS  52  -9.403   2.313   7.289
  386    HA   CYS  52           HA       CYS  52 -11.874   3.519   6.254
  387    HB2  CYS  52           1HB      CYS  52 -11.302   0.877   7.591
  388    HB3  CYS  52           2HB      CYS  52 -12.940   1.484   7.372
  389    H    GLU  53           H        GLU  53 -13.110   4.763   7.507
  390    HA   GLU  53           HA       GLU  53 -12.448   4.919  10.371
  391    HB2  GLU  53           1HB      GLU  53 -12.150   6.970   8.894
  392    HB3  GLU  53           2HB      GLU  53 -13.903   7.013   8.762
  393    HG2  GLU  53           1HG      GLU  53 -14.187   7.527  11.011
  394    HG3  GLU  53           2HG      GLU  53 -12.564   6.985  11.436
  395    H    TYR  54           H        TYR  54 -13.822   3.679  11.485
  396    HA   TYR  54           HA       TYR  54 -16.663   3.689  10.734
  397    HB2  TYR  54           1HB      TYR  54 -15.304   1.507  10.938
  398    HB3  TYR  54           2HB      TYR  54 -15.395   1.770  12.676
  399    HD1  TYR  54           HD1      TYR  54 -17.380   1.111   9.636
  400    HD2  TYR  54           HD2      TYR  54 -17.411   1.359  13.884
  401    HE1  TYR  54           HE1      TYR  54 -19.597   0.046   9.677
  402    HE2  TYR  54           HE2      TYR  54 -19.628   0.294  13.935
  403    HH   TYR  54           HH       TYR  54 -20.931  -1.358  11.426
  Start of MODEL    7
    1    H1   ASP   2           H        ASP   2 -17.858   4.835   5.365
    2    HA   ASP   2           HA       ASP   2 -17.140   4.943   2.513
    3    HB2  ASP   2           1HB      ASP   2 -18.445   6.972   3.352
    4    HB3  ASP   2           2HB      ASP   2 -17.028   7.347   4.331
    5    H    CYS   3           H        CYS   3 -15.005   4.858   2.056
    6    HA   CYS   3           HA       CYS   3 -13.097   5.096   4.278
    7    HB2  CYS   3           1HB      CYS   3 -12.835   2.958   2.171
    8    HB3  CYS   3           2HB      CYS   3 -11.974   3.094   3.701
    9    H    LYS   4           H        LYS   4 -10.770   5.059   3.346
   10    HA   LYS   4           HA       LYS   4 -10.665   6.484   0.781
   11    HB2  LYS   4           1HB      LYS   4  -8.866   7.951   1.871
   12    HB3  LYS   4           2HB      LYS   4 -10.544   8.290   2.275
   13    HG2  LYS   4           1HG      LYS   4 -10.326   7.209   4.393
   14    HG3  LYS   4           2HG      LYS   4  -8.715   6.616   3.980
   15    HD2  LYS   4           1HD      LYS   4  -8.189   8.448   5.265
   16    HD3  LYS   4           2HD      LYS   4  -8.200   9.166   3.653
   17    HE2  LYS   4           1HE      LYS   4 -10.689   9.130   5.312
   18    HE3  LYS   4           2HE      LYS   4  -9.451  10.353   5.595
   19    HZ1  LYS   4           3HZ      LYS   4 -10.796  11.384   4.070
   20    HZ2  LYS   4           1HZ      LYS   4 -11.161   9.956   3.238
   21    HZ3  LYS   4           2HZ      LYS   4  -9.647  10.683   3.045
   22    H    ARG   5           H        ARG   5  -8.673   6.332  -0.334
   23    HA   ARG   5           HA       ARG   5  -6.633   4.563   0.764
   24    HB2  ARG   5           1HB      ARG   5  -6.635   3.167  -1.295
   25    HB3  ARG   5           2HB      ARG   5  -8.094   2.990  -0.328
   26    HG2  ARG   5           1HG      ARG   5  -8.980   3.137  -2.429
   27    HG3  ARG   5           2HG      ARG   5  -9.022   4.832  -1.938
   28    HD2  ARG   5           1HD      ARG   5  -7.319   5.425  -3.346
   29    HD3  ARG   5           2HD      ARG   5  -6.581   3.825  -3.302
   30    HE   ARG   5           HE       ARG   5  -9.032   3.581  -4.597
   31   HH11  ARG   5          1HH1      ARG   5  -5.969   5.165  -5.078
   32   HH12  ARG   5          2HH1      ARG   5  -6.069   5.117  -6.807
   33   HH21  ARG   5          1HH2      ARG   5  -9.174   3.511  -6.872
   34   HH22  ARG   5          2HH2      ARG   5  -7.892   4.177  -7.827
   35    H    LYS   6           H        LYS   6  -4.649   4.567  -0.492
   36    HA   LYS   6           HA       LYS   6  -4.346   6.478  -2.626
   37    HB2  LYS   6           1HB      LYS   6  -4.258   8.044  -0.818
   38    HB3  LYS   6           2HB      LYS   6  -3.176   7.011   0.106
   39    HG2  LYS   6           1HG      LYS   6  -1.340   7.567  -1.162
   40    HG3  LYS   6           2HG      LYS   6  -2.312   8.020  -2.563
   41    HD2  LYS   6           1HD      LYS   6  -2.432   9.576   0.003
   42    HD3  LYS   6           2HD      LYS   6  -1.194   9.896  -1.214
   43    HE2  LYS   6           1HE      LYS   6  -4.118   9.835  -1.898
   44    HE3  LYS   6           2HE      LYS   6  -3.334  11.295  -1.297
   45    HZ1  LYS   6           3HZ      LYS   6  -3.497  10.778  -3.852
   46    HZ2  LYS   6           1HZ      LYS   6  -2.087   9.894  -3.543
   47    HZ3  LYS   6           2HZ      LYS   6  -2.140  11.549  -3.199
   48    H    VAL   7           H        VAL   7  -2.498   6.144  -3.816
   49    HA   VAL   7           HA       VAL   7  -0.893   3.814  -3.018
   50    HB   VAL   7           HB       VAL   7  -2.025   3.541  -5.148
   51   HG11  VAL   7          1HG1      VAL   7  -2.317   5.210  -6.582
   52   HG12  VAL   7          2HG1      VAL   7  -1.434   6.269  -5.481
   53   HG13  VAL   7          3HG1      VAL   7  -0.575   5.411  -6.761
   54   HG21  VAL   7          3HG2      VAL   7   0.319   2.670  -4.765
   55   HG22  VAL   7          1HG2      VAL   7  -0.182   2.827  -6.449
   56   HG23  VAL   7          2HG2      VAL   7   0.886   4.032  -5.731
   57    H    TYR   8           H        TYR   8   1.302   3.907  -2.883
   58    HA   TYR   8           HA       TYR   8   2.510   6.578  -3.165
   59    HB2  TYR   8           1HB      TYR   8   2.407   5.030  -0.919
   60    HB3  TYR   8           2HB      TYR   8   3.968   4.565  -1.585
   61    HD1  TYR   8           HD2      TYR   8   5.128   6.926  -2.652
   62    HD2  TYR   8           HD1      TYR   8   2.677   6.534   0.805
   63    HE1  TYR   8           HE2      TYR   8   6.140   8.960  -1.711
   64    HE2  TYR   8           HE1      TYR   8   3.683   8.567   1.755
   65    HH   TYR   8           HH       TYR   8   6.492   9.965   0.549
   66    H    GLU   9           H        GLU   9   3.221   6.483  -5.264
   67    HA   GLU   9           HA       GLU   9   4.468   4.263  -6.462
   68    HB2  GLU   9           1HB      GLU   9   5.183   5.833  -8.201
   69    HB3  GLU   9           2HB      GLU   9   3.496   6.080  -7.773
   70    HG2  GLU   9           1HG      GLU   9   4.484   7.880  -6.155
   71    HG3  GLU   9           2HG      GLU   9   5.858   7.815  -7.258
   72    H    ASN  10           H        ASN  10   5.705   6.916  -4.541
   73    HA   ASN  10           HA       ASN  10   8.429   6.686  -5.120
   74    HB2  ASN  10           1HB      ASN  10   7.058   8.404  -3.640
   75    HB3  ASN  10           2HB      ASN  10   7.566   7.335  -2.335
   76   HD21  ASN  10          2HD2      ASN  10   9.030   8.742  -5.250
   77   HD22  ASN  10          1HD2      ASN  10  10.467   9.291  -4.466
   78    H    TYR  11           H        TYR  11   6.338   4.685  -3.232
   79    HA   TYR  11           HA       TYR  11   8.348   3.419  -1.660
   80    HB2  TYR  11           1HB      TYR  11   5.678   3.486  -1.476
   81    HB3  TYR  11           2HB      TYR  11   5.848   1.953  -2.324
   82    HD1  TYR  11           HD2      TYR  11   7.351   3.742   0.599
   83    HD2  TYR  11           HD1      TYR  11   6.022   0.047  -1.040
   84    HE1  TYR  11           HE2      TYR  11   7.847   2.624   2.733
   85    HE2  TYR  11           HE1      TYR  11   6.514  -1.081   1.090
   86    HH   TYR  11           HH       TYR  11   6.696  -0.365   3.552
   87    HA   PRO  12           HA       PRO  12  10.093   0.757  -4.717
   88    HB2  PRO  12           1HB      PRO  12  11.312  -0.992  -3.036
   89    HB3  PRO  12           2HB      PRO  12  11.924   0.638  -3.335
   90    HG2  PRO  12           1HG      PRO  12  10.293  -0.380  -1.042
   91    HG3  PRO  12           2HG      PRO  12  11.690   0.712  -1.023
   92    HD2  PRO  12           1HD      PRO  12   9.140   1.602  -0.823
   93    HD3  PRO  12           2HD      PRO  12  10.422   2.545  -1.609
   94    H    VAL  13           H        VAL  13   9.332  -0.939  -5.831
   95    HA   VAL  13           HA       VAL  13   7.054  -2.376  -4.945
   96    HB   VAL  13           HB       VAL  13   8.854  -3.117  -7.251
   97   HG11  VAL  13          1HG1      VAL  13   5.961  -3.682  -6.623
   98   HG12  VAL  13          2HG1      VAL  13   6.711  -3.993  -8.191
   99   HG13  VAL  13          3HG1      VAL  13   7.279  -4.847  -6.755
  100   HG21  VAL  13          3HG2      VAL  13   8.375  -1.016  -7.946
  101   HG22  VAL  13          1HG2      VAL  13   6.852  -1.768  -8.422
  102   HG23  VAL  13          2HG2      VAL  13   6.958  -0.877  -6.904
  103    H    SER  14           H        SER  14  10.384  -2.831  -4.443
  104    HA   SER  14           HA       SER  14  10.633  -5.606  -4.361
  105    HB2  SER  14           1HB      SER  14  12.008  -3.573  -2.587
  106    HB3  SER  14           2HB      SER  14  12.547  -5.228  -2.870
  107    HG   SER  14           HG       SER  14  13.488  -3.410  -4.182
  108    H    LYS  15           H        LYS  15   9.172  -3.387  -2.109
  109    HA   LYS  15           HA       LYS  15   9.000  -5.300   0.038
  110    HB2  LYS  15           1HB      LYS  15   7.425  -2.742  -0.209
  111    HB3  LYS  15           2HB      LYS  15   7.867  -3.604   1.259
  112    HG2  LYS  15           1HG      LYS  15   9.829  -2.258  -0.585
  113    HG3  LYS  15           2HG      LYS  15   9.172  -1.539   0.886
  114    HD2  LYS  15           1HD      LYS  15  10.310  -4.220   1.242
  115    HD3  LYS  15           2HD      LYS  15  11.475  -2.987   0.753
  116    HE2  LYS  15           1HE      LYS  15  10.126  -1.646   2.664
  117    HE3  LYS  15           2HE      LYS  15   9.971  -3.293   3.273
  118    HZ1  LYS  15           3HZ      LYS  15  12.620  -2.447   2.392
  119    HZ2  LYS  15           1HZ      LYS  15  12.176  -3.449   3.681
  120    HZ3  LYS  15           2HZ      LYS  15  12.041  -1.770   3.831
  121    H    CYS  16           H        CYS  16   7.125  -4.448  -2.720
  122    HA   CYS  16           HA       CYS  16   4.550  -5.119  -1.963
  123    HB2  CYS  16           1HB      CYS  16   5.147  -4.157  -4.158
  124    HB3  CYS  16           2HB      CYS  16   5.872  -5.693  -4.624
  125    H    GLN  17           H        GLN  17   7.272  -7.194  -2.670
  126    HA   GLN  17           HA       GLN  17   5.962  -9.620  -3.063
  127    HB2  GLN  17           1HB      GLN  17   8.039 -10.683  -2.568
  128    HB3  GLN  17           2HB      GLN  17   8.416  -9.167  -3.376
  129    HG2  GLN  17           1HG      GLN  17   8.632  -8.232  -0.968
  130    HG3  GLN  17           2HG      GLN  17   8.793  -9.928  -0.517
  131   HE21  GLN  17          2HE2      GLN  17  10.821  -8.146  -0.061
  132   HE22  GLN  17          1HE2      GLN  17  12.157  -8.508  -1.095
  133    H    LEU  18           H        LEU  18   6.385  -7.752  -0.199
  134    HA   LEU  18           HA       LEU  18   5.465  -9.999   1.461
  135    HB2  LEU  18           1HB      LEU  18   6.687  -7.380   2.319
  136    HB3  LEU  18           2HB      LEU  18   6.250  -8.720   3.376
  137    HG   LEU  18           HG       LEU  18   8.300  -9.032   1.202
  138   HD11  LEU  18          1HD1      LEU  18   8.623  -7.879   3.949
  139   HD12  LEU  18          2HD1      LEU  18   9.250  -7.283   2.412
  140   HD13  LEU  18          3HD1      LEU  18   9.943  -8.729   3.146
  141   HD21  LEU  18          3HD2      LEU  18   8.711 -11.051   2.108
  142   HD22  LEU  18          1HD2      LEU  18   7.075 -10.879   2.747
  143   HD23  LEU  18          2HD2      LEU  18   8.463 -10.479   3.759
  144    H    ALA  19           H        ALA  19   3.538  -9.925   2.475
  145    HA   ALA  19           HA       ALA  19   1.765  -7.709   1.815
  146    HB1  ALA  19           3HB      ALA  19   0.184  -9.422   3.162
  147    HB2  ALA  19           1HB      ALA  19   0.511  -9.542   1.433
  148    HB3  ALA  19           2HB      ALA  19   1.419 -10.535   2.574
  149    H    ASN  20           H        ASN  20   3.339  -9.164   4.576
  150    HA   ASN  20           HA       ASN  20   1.825  -7.682   6.522
  151    HB2  ASN  20           1HB      ASN  20   3.055  -9.962   6.809
  152    HB3  ASN  20           2HB      ASN  20   4.481  -8.967   7.087
  153   HD21  ASN  20          2HD2      ASN  20   4.872  -8.940   9.177
  154   HD22  ASN  20          1HD2      ASN  20   3.706  -8.683  10.426
  155    H    GLN  21           H        GLN  21   4.505  -7.048   4.518
  156    HA   GLN  21           HA       GLN  21   5.708  -5.060   6.229
  157    HB2  GLN  21           1HB      GLN  21   7.087  -6.365   4.672
  158    HB3  GLN  21           2HB      GLN  21   6.193  -5.696   3.314
  159    HG2  GLN  21           1HG      GLN  21   7.976  -4.311   3.266
  160    HG3  GLN  21           2HG      GLN  21   6.979  -3.415   4.411
  161   HE21  GLN  21          2HE2      GLN  21   8.149  -2.642   6.002
  162   HE22  GLN  21          1HE2      GLN  21   9.466  -3.438   6.787
  163    H    CYS  22           H        CYS  22   3.649  -5.112   3.357
  164    HA   CYS  22           HA       CYS  22   3.622  -2.350   2.858
  165    HB2  CYS  22           1HB      CYS  22   2.704  -4.366   1.458
  166    HB3  CYS  22           2HB      CYS  22   1.211  -4.052   2.337
  167    H    ASN  23           H        ASN  23   1.075  -4.300   4.426
  168    HA   ASN  23           HA       ASN  23  -0.461  -2.163   5.332
  169    HB2  ASN  23           1HB      ASN  23  -1.736  -3.732   6.402
  170    HB3  ASN  23           2HB      ASN  23  -0.818  -4.812   5.355
  171   HD21  ASN  23          2HD2      ASN  23   1.305  -5.552   6.338
  172   HD22  ASN  23          1HD2      ASN  23   1.252  -6.029   7.998
  173    H    TYR  24           H        TYR  24   2.430  -3.594   6.650
  174    HA   TYR  24           HA       TYR  24   2.242  -2.514   9.260
  175    HB2  TYR  24           1HB      TYR  24   3.746  -4.328   8.925
  176    HB3  TYR  24           2HB      TYR  24   4.577  -3.491   7.618
  177    HD1  TYR  24           HD1      TYR  24   3.701  -2.703  11.173
  178    HD2  TYR  24           HD2      TYR  24   6.709  -2.833   8.168
  179    HE1  TYR  24           HE1      TYR  24   5.341  -1.830  12.786
  180    HE2  TYR  24           HE2      TYR  24   8.358  -1.962   9.772
  181    HH   TYR  24           HH       TYR  24   7.418  -1.086  13.080
  182    H    ASP  25           H        ASP  25   3.866  -1.395   6.311
  183    HA   ASP  25           HA       ASP  25   4.851   0.999   7.544
  184    HB2  ASP  25           1HB      ASP  25   5.022  -0.290   4.914
  185    HB3  ASP  25           2HB      ASP  25   4.967   1.469   4.840
  186    H    CYS  26           H        CYS  26   1.978   0.067   5.830
  187    HA   CYS  26           HA       CYS  26   1.117   2.738   5.235
  188    HB2  CYS  26           1HB      CYS  26  -0.243   0.048   5.147
  189    HB3  CYS  26           2HB      CYS  26  -1.105   1.542   4.795
  190    H    LYS  27           H        LYS  27   0.094   0.263   7.582
  191    HA   LYS  27           HA       LYS  27  -1.757   1.952   8.914
  192    HB2  LYS  27           1HB      LYS  27  -0.396  -0.603   9.777
  193    HB3  LYS  27           2HB      LYS  27  -1.657   0.195  10.709
  194    HG2  LYS  27           1HG      LYS  27  -2.871   0.004   8.307
  195    HG3  LYS  27           2HG      LYS  27  -1.845  -1.431   8.269
  196    HD2  LYS  27           1HD      LYS  27  -3.812  -0.710  10.444
  197    HD3  LYS  27           2HD      LYS  27  -4.043  -1.944   9.203
  198    HE2  LYS  27           1HE      LYS  27  -1.919  -3.017  10.096
  199    HE3  LYS  27           2HE      LYS  27  -2.066  -1.924  11.471
  200    HZ1  LYS  27           3HZ      LYS  27  -3.097  -3.938  12.085
  201    HZ2  LYS  27           1HZ      LYS  27  -3.960  -4.043  10.633
  202    HZ3  LYS  27           2HZ      LYS  27  -4.359  -2.855  11.769
  203    H    LEU  28           H        LEU  28   1.609   1.872   8.907
  204    HA   LEU  28           HA       LEU  28   2.025   2.723  11.623
  205    HB2  LEU  28           1HB      LEU  28   3.799   1.528  10.620
  206    HB3  LEU  28           2HB      LEU  28   3.790   2.567   9.197
  207    HG   LEU  28           HG       LEU  28   4.663   4.417  10.575
  208   HD11  LEU  28          1HD1      LEU  28   5.440   4.034  12.817
  209   HD12  LEU  28          2HD1      LEU  28   4.941   2.344  12.745
  210   HD13  LEU  28          3HD1      LEU  28   3.727   3.624  12.726
  211   HD21  LEU  28          3HD2      LEU  28   6.919   3.566  10.783
  212   HD22  LEU  28          1HD2      LEU  28   6.172   2.928   9.318
  213   HD23  LEU  28          2HD2      LEU  28   6.325   1.905  10.746
  214    H    ASP  29           H        ASP  29   2.621   4.338   8.496
  215    HA   ASP  29           HA       ASP  29   2.409   6.927   9.828
  216    HB2  ASP  29           1HB      ASP  29   3.566   5.956   7.260
  217    HB3  ASP  29           2HB      ASP  29   2.991   7.621   7.317
  218    H    LYS  30           H        LYS  30   1.037   5.260   6.998
  219    HA   LYS  30           HA       LYS  30  -0.925   7.260   6.498
  220    HB2  LYS  30           1HB      LYS  30  -0.179   4.652   5.390
  221    HB3  LYS  30           2HB      LYS  30  -1.909   4.968   5.331
  222    HG2  LYS  30           1HG      LYS  30  -0.046   7.089   4.397
  223    HG3  LYS  30           2HG      LYS  30  -0.318   5.681   3.368
  224    HD2  LYS  30           1HD      LYS  30  -2.005   7.013   2.610
  225    HD3  LYS  30           2HD      LYS  30  -2.852   6.227   3.944
  226    HE2  LYS  30           1HE      LYS  30  -2.749   8.102   5.286
  227    HE3  LYS  30           2HE      LYS  30  -1.350   8.759   4.439
  228    HZ1  LYS  30           3HZ      LYS  30  -3.519   8.561   2.654
  229    HZ2  LYS  30           1HZ      LYS  30  -2.692   9.945   3.164
  230    HZ3  LYS  30           2HZ      LYS  30  -4.025   9.387   4.040
  231    H    HIS  31           H        HIS  31  -0.667   4.917   8.882
  232    HA   HIS  31           HA       HIS  31  -2.105   4.004  10.399
  233    HB2  HIS  31           1HB      HIS  31  -2.440   6.644  10.498
  234    HB3  HIS  31           2HB      HIS  31  -4.060   6.210   9.961
  235    HD1  HIS  31           HD1      HIS  31  -5.271   6.731  12.119
  236    HD2  HIS  31           HD2      HIS  31  -2.100   4.096  12.632
  237    HE1  HIS  31           HE1      HIS  31  -5.486   5.872  14.472
  238    H    ALA  32           H        ALA  32  -2.506   3.378   7.521
  239    HA   ALA  32           HA       ALA  32  -5.234   3.188   6.889
  240    HB1  ALA  32           3HB      ALA  32  -4.479   2.298   4.991
  241    HB2  ALA  32           1HB      ALA  32  -2.856   2.543   5.640
  242    HB3  ALA  32           2HB      ALA  32  -3.661   0.985   5.840
  243    H    ARG  33           H        ARG  33  -5.690   0.515   6.285
  244    HA   ARG  33           HA       ARG  33  -5.667  -0.834   8.894
  245    HB2  ARG  33           1HB      ARG  33  -7.876   0.375   8.288
  246    HB3  ARG  33           2HB      ARG  33  -8.090  -0.920   7.119
  247    HG2  ARG  33           1HG      ARG  33  -7.820  -2.538   9.028
  248    HG3  ARG  33           2HG      ARG  33  -7.916  -1.145  10.109
  249    HD2  ARG  33           1HD      ARG  33 -10.029  -1.438   8.048
  250    HD3  ARG  33           2HD      ARG  33 -10.057  -2.558   9.410
  251    HE   ARG  33           HE       ARG  33 -10.807   0.176   9.451
  252   HH11  ARG  33          1HH1      ARG  33  -9.268  -2.294  11.362
  253   HH12  ARG  33          2HH1      ARG  33  -9.697  -1.571  12.878
  254   HH21  ARG  33          1HH2      ARG  33 -11.378   1.137  11.439
  255   HH22  ARG  33          2HH2      ARG  33 -10.898   0.380  12.920
  256    H    SER  34           H        SER  34  -6.123  -1.104   5.400
  257    HA   SER  34           HA       SER  34  -5.147  -3.879   5.571
  258    HB2  SER  34           1HB      SER  34  -7.140  -2.869   3.531
  259    HB3  SER  34           2HB      SER  34  -6.617  -4.535   3.779
  260    HG   SER  34           HG       SER  34  -8.590  -4.250   4.791
  261    H    GLY  35           H        GLY  35  -3.511  -1.607   5.234
  262    HA2  GLY  35           1HA      GLY  35  -2.905  -0.826   2.657
  263    HA3  GLY  35           2HA      GLY  35  -1.718  -0.975   3.943
  264    H    GLU  36           H        GLU  36  -2.430  -1.941   0.895
  265    HA   GLU  36           HA       GLU  36  -0.497  -4.103   1.030
  266    HB2  GLU  36           1HB      GLU  36  -2.931  -4.991   1.323
  267    HB3  GLU  36           2HB      GLU  36  -3.071  -4.675  -0.401
  268    HG2  GLU  36           1HG      GLU  36  -1.405  -6.246  -0.931
  269    HG3  GLU  36           2HG      GLU  36  -0.865  -6.356   0.744
  270    H    CYS  37           H        CYS  37   0.023  -4.917  -1.220
  271    HA   CYS  37           HA       CYS  37   0.047  -2.618  -3.049
  272    HB2  CYS  37           1HB      CYS  37   2.050  -3.487  -3.984
  273    HB3  CYS  37           2HB      CYS  37   2.224  -3.637  -2.239
  274    H    PHE  38           H        PHE  38  -0.308  -2.932  -5.295
  275    HA   PHE  38           HA       PHE  38  -1.160  -5.420  -6.373
  276    HB2  PHE  38           1HB      PHE  38  -3.122  -4.226  -4.889
  277    HB3  PHE  38           2HB      PHE  38  -3.456  -3.585  -6.493
  278    HD1  PHE  38           HD2      PHE  38  -2.387  -6.901  -5.150
  279    HD2  PHE  38           HD1      PHE  38  -5.136  -4.715  -7.554
  280    HE1  PHE  38           HE2      PHE  38  -3.529  -8.998  -5.746
  281    HE2  PHE  38           HE1      PHE  38  -6.283  -6.808  -8.152
  282    HZ   PHE  38           HZ       PHE  38  -5.478  -8.953  -7.249
  283    H    TYR  39           H        TYR  39  -1.859  -5.226  -8.626
  284    HA   TYR  39           HA       TYR  39  -0.276  -3.375 -10.050
  285    HB2  TYR  39           1HB      TYR  39  -1.222  -4.341 -12.045
  286    HB3  TYR  39           2HB      TYR  39  -0.943  -5.634 -10.883
  287    HD1  TYR  39           HD2      TYR  39  -3.501  -3.612 -12.578
  288    HD2  TYR  39           HD1      TYR  39  -2.786  -6.849  -9.911
  289    HE1  TYR  39           HE2      TYR  39  -5.850  -4.303 -12.797
  290    HE2  TYR  39           HE1      TYR  39  -5.133  -7.550 -10.124
  291    HH   TYR  39           HH       TYR  39  -7.521  -5.603 -11.438
  292    H    ASP  40           H        ASP  40  -0.767  -1.514 -11.129
  293    HA   ASP  40           HA       ASP  40  -3.359  -0.301 -10.470
  294    HB2  ASP  40           1HB      ASP  40  -2.174   1.849 -11.135
  295    HB3  ASP  40           2HB      ASP  40  -1.578   1.055  -9.679
  296    H    GLU  41           H        GLU  41  -3.778   1.565 -12.266
  297    HA   GLU  41           HA       GLU  41  -4.696   0.186 -14.537
  298    HB2  GLU  41           1HB      GLU  41  -5.371   2.342 -15.386
  299    HB3  GLU  41           2HB      GLU  41  -5.695   2.282 -13.659
  300    HG2  GLU  41           1HG      GLU  41  -3.328   3.397 -13.496
  301    HG3  GLU  41           2HG      GLU  41  -3.678   3.872 -15.158
  302    H    LYS  42           H        LYS  42  -1.657   1.595 -13.802
  303    HA   LYS  42           HA       LYS  42  -0.845   1.698 -16.607
  304    HB2  LYS  42           1HB      LYS  42   0.627   2.480 -14.084
  305    HB3  LYS  42           2HB      LYS  42   1.260   2.663 -15.715
  306    HG2  LYS  42           1HG      LYS  42  -0.661   4.154 -16.228
  307    HG3  LYS  42           2HG      LYS  42  -1.127   4.059 -14.528
  308    HD2  LYS  42           1HD      LYS  42   0.131   5.968 -14.483
  309    HD3  LYS  42           2HD      LYS  42   1.389   4.773 -14.161
  310    HE2  LYS  42           1HE      LYS  42   2.215   4.884 -16.345
  311    HE3  LYS  42           2HE      LYS  42   0.744   5.637 -16.959
  312    HZ1  LYS  42           3HZ      LYS  42   3.033   6.933 -16.245
  313    HZ2  LYS  42           1HZ      LYS  42   2.003   7.210 -14.932
  314    HZ3  LYS  42           2HZ      LYS  42   1.522   7.650 -16.492
  315    H    ARG  43           H        ARG  43  -1.398  -0.814 -15.042
  316    HA   ARG  43           HA       ARG  43  -0.524  -2.898 -14.743
  317    HB2  ARG  43           1HB      ARG  43   1.041  -1.890 -17.113
  318    HB3  ARG  43           2HB      ARG  43   1.230  -3.528 -16.500
  319    HG2  ARG  43           1HG      ARG  43  -0.324  -3.856 -18.143
  320    HG3  ARG  43           2HG      ARG  43  -1.373  -3.599 -16.747
  321    HD2  ARG  43           1HD      ARG  43  -1.636  -1.251 -17.375
  322    HD3  ARG  43           2HD      ARG  43  -0.576  -1.501 -18.762
  323    HE   ARG  43           HE       ARG  43  -2.805  -3.283 -18.769
  324   HH11  ARG  43          1HH1      ARG  43  -1.799  -0.039 -19.527
  325   HH12  ARG  43          2HH1      ARG  43  -3.024   0.201 -20.728
  326   HH21  ARG  43          1HH2      ARG  43  -4.423  -2.980 -20.349
  327   HH22  ARG  43          2HH2      ARG  43  -4.516  -1.472 -21.194
  328    H    ASN  44           H        ASN  44   0.641  -0.723 -13.179
  329    HA   ASN  44           HA       ASN  44   3.369  -1.761 -12.784
  330    HB2  ASN  44           1HB      ASN  44   2.153   0.945 -12.442
  331    HB3  ASN  44           2HB      ASN  44   3.473   0.485 -11.370
  332   HD21  ASN  44          2HD2      ASN  44   2.699   1.869 -14.272
  333   HD22  ASN  44          1HD2      ASN  44   4.235   1.749 -15.055
  334    H    LEU  45           H        LEU  45   4.090  -2.223 -10.682
  335    HA   LEU  45           HA       LEU  45   1.923  -2.856  -8.811
  336    HB2  LEU  45           1HB      LEU  45   4.772  -3.804  -8.668
  337    HB3  LEU  45           2HB      LEU  45   3.366  -4.468  -7.839
  338    HG   LEU  45           HG       LEU  45   3.674  -4.551 -10.832
  339   HD11  LEU  45          1HD1      LEU  45   5.575  -5.713  -9.926
  340   HD12  LEU  45          2HD1      LEU  45   4.407  -6.894 -10.518
  341   HD13  LEU  45          3HD1      LEU  45   4.549  -6.585  -8.787
  342   HD21  LEU  45          3HD2      LEU  45   1.474  -5.020 -10.417
  343   HD22  LEU  45          1HD2      LEU  45   1.802  -5.693  -8.820
  344   HD23  LEU  45          2HD2      LEU  45   2.167  -6.635 -10.266
  345    H    GLN  46           H        GLN  46   1.635  -1.640  -7.072
  346    HA   GLN  46           HA       GLN  46   3.935  -0.378  -5.788
  347    HB2  GLN  46           1HB      GLN  46   1.439   1.214  -6.348
  348    HB3  GLN  46           2HB      GLN  46   2.983   1.797  -5.743
  349    HG2  GLN  46           1HG      GLN  46   3.958   1.066  -7.971
  350    HG3  GLN  46           2HG      GLN  46   2.291   0.901  -8.519
  351   HE21  GLN  46          2HE2      GLN  46   4.587   2.764  -9.176
  352   HE22  GLN  46          1HE2      GLN  46   3.887   4.341  -9.081
  353    H    CYS  47           H        CYS  47   3.320   0.578  -3.642
  354    HA   CYS  47           HA       CYS  47   1.501  -1.268  -2.296
  355    HB2  CYS  47           1HB      CYS  47   3.971   0.026  -1.606
  356    HB3  CYS  47           2HB      CYS  47   2.739   0.452  -0.422
  357    H    ILE  48           H        ILE  48  -0.546  -0.633  -2.152
  358    HA   ILE  48           HA       ILE  48  -1.144   2.223  -1.840
  359    HB   ILE  48           HB       ILE  48  -3.049  -0.032  -2.475
  360   HG12  ILE  48          1HG1      ILE  48  -2.923   1.509  -4.721
  361   HG13  ILE  48          2HG1      ILE  48  -1.259   1.600  -4.157
  362   HG21  ILE  48          1HG2      ILE  48  -4.631   1.699  -3.029
  363   HG22  ILE  48          2HG2      ILE  48  -4.046   1.955  -1.385
  364   HG23  ILE  48          3HG2      ILE  48  -3.430   2.950  -2.706
  365   HD11  ILE  48          3HD1      ILE  48  -0.879  -0.359  -5.098
  366   HD12  ILE  48          1HD1      ILE  48  -2.021  -1.098  -3.977
  367   HD13  ILE  48          2HD1      ILE  48  -2.579  -0.510  -5.542
  368    H    CYS  49           H        CYS  49  -2.164   3.032  -0.079
  369    HA   CYS  49           HA       CYS  49  -2.706   1.144   2.117
  370    HB2  CYS  49           1HB      CYS  49  -2.122   4.089   2.422
  371    HB3  CYS  49           2HB      CYS  49  -2.109   2.848   3.672
  372    H    ASP  50           H        ASP  50  -4.693   1.054   2.967
  373    HA   ASP  50           HA       ASP  50  -6.635   3.114   2.145
  374    HB2  ASP  50           1HB      ASP  50  -6.954   0.855   1.074
  375    HB3  ASP  50           2HB      ASP  50  -7.268   0.209   2.682
  376    H    TYR  51           H        TYR  51  -7.458   4.244   3.767
  377    HA   TYR  51           HA       TYR  51  -7.423   3.056   6.464
  378    HB2  TYR  51           1HB      TYR  51  -5.947   4.977   6.315
  379    HB3  TYR  51           2HB      TYR  51  -7.238   5.958   5.630
  380    HD1  TYR  51           HD2      TYR  51  -7.311   3.626   8.536
  381    HD2  TYR  51           HD1      TYR  51  -7.615   7.648   7.184
  382    HE1  TYR  51           HE2      TYR  51  -7.968   4.330  10.800
  383    HE2  TYR  51           HE1      TYR  51  -8.271   8.364   9.443
  384    HH   TYR  51           HH       TYR  51  -8.668   7.737  11.531
  385    H    CYS  52           H        CYS  52  -9.373   2.418   7.079
  386    HA   CYS  52           HA       CYS  52 -11.689   4.092   6.359
  387    HB2  CYS  52           1HB      CYS  52 -11.535   1.790   5.255
  388    HB3  CYS  52           2HB      CYS  52 -11.832   1.123   6.856
  389    H    GLU  53           H        GLU  53 -13.166   4.560   7.941
  390    HA   GLU  53           HA       GLU  53 -12.492   3.634  10.657
  391    HB2  GLU  53           1HB      GLU  53 -13.369   6.323   9.649
  392    HB3  GLU  53           2HB      GLU  53 -13.661   5.857  11.319
  393    HG2  GLU  53           1HG      GLU  53 -11.264   5.494  11.634
  394    HG3  GLU  53           2HG      GLU  53 -10.976   5.979   9.964
  395    H    TYR  54           H        TYR  54 -13.946   2.157  11.240
  396    HA   TYR  54           HA       TYR  54 -16.480   1.789  10.162
  397    HB2  TYR  54           1HB      TYR  54 -15.195   0.133  11.544
  398    HB3  TYR  54           2HB      TYR  54 -15.646   1.055  12.974
  399    HD1  TYR  54           HD1      TYR  54 -17.061  -0.860  10.123
  400    HD2  TYR  54           HD2      TYR  54 -17.703   0.679  14.037
  401    HE1  TYR  54           HE1      TYR  54 -19.161  -2.133  10.272
  402    HE2  TYR  54           HE2      TYR  54 -19.803  -0.591  14.198
  403    HH   TYR  54           HH       TYR  54 -20.979  -2.551  11.481
  Start of MODEL    8
    1    H1   ASP   2           H        ASP   2 -18.081   3.569   2.938
    2    HA   ASP   2           HA       ASP   2 -16.600   5.357   1.206
    3    HB2  ASP   2           1HB      ASP   2 -17.903   5.908   3.881
    4    HB3  ASP   2           2HB      ASP   2 -17.310   7.115   2.742
    5    H    CYS   3           H        CYS   3 -14.460   4.768   1.312
    6    HA   CYS   3           HA       CYS   3 -13.141   5.294   3.884
    7    HB2  CYS   3           1HB      CYS   3 -12.200   3.121   2.020
    8    HB3  CYS   3           2HB      CYS   3 -11.716   3.413   3.688
    9    H    LYS   4           H        LYS   4 -10.670   5.482   3.493
   10    HA   LYS   4           HA       LYS   4 -10.260   7.090   1.058
   11    HB2  LYS   4           1HB      LYS   4 -10.110   8.631   2.801
   12    HB3  LYS   4           2HB      LYS   4  -9.338   7.481   3.884
   13    HG2  LYS   4           1HG      LYS   4  -7.272   7.946   3.121
   14    HG3  LYS   4           2HG      LYS   4  -7.818   8.166   1.457
   15    HD2  LYS   4           1HD      LYS   4  -8.434  10.159   3.622
   16    HD3  LYS   4           2HD      LYS   4  -6.943  10.228   2.680
   17    HE2  LYS   4           1HE      LYS   4  -9.664  10.139   1.402
   18    HE3  LYS   4           2HE      LYS   4  -8.888  11.652   1.868
   19    HZ1  LYS   4           3HZ      LYS   4  -6.928  10.523   0.489
   20    HZ2  LYS   4           1HZ      LYS   4  -8.099  11.515  -0.224
   21    HZ3  LYS   4           2HZ      LYS   4  -8.250   9.833  -0.309
   22    H    ARG   5           H        ARG   5  -8.918   6.191  -0.347
   23    HA   ARG   5           HA       ARG   5  -6.702   4.543   0.681
   24    HB2  ARG   5           1HB      ARG   5  -6.908   3.183  -1.396
   25    HB3  ARG   5           2HB      ARG   5  -8.304   3.061  -0.334
   26    HG2  ARG   5           1HG      ARG   5  -9.399   3.336  -2.291
   27    HG3  ARG   5           2HG      ARG   5  -9.159   5.039  -1.898
   28    HD2  ARG   5           1HD      ARG   5  -8.565   4.577  -4.219
   29    HD3  ARG   5           2HD      ARG   5  -7.155   5.083  -3.290
   30    HE   ARG   5           HE       ARG   5  -7.093   2.365  -3.159
   31   HH11  ARG   5          1HH1      ARG   5  -7.235   4.683  -5.753
   32   HH12  ARG   5          2HH1      ARG   5  -6.379   3.677  -6.874
   33   HH21  ARG   5          1HH2      ARG   5  -5.965   1.031  -4.625
   34   HH22  ARG   5          2HH2      ARG   5  -5.657   1.600  -6.231
   35    H    LYS   6           H        LYS   6  -4.737   4.645  -0.446
   36    HA   LYS   6           HA       LYS   6  -4.448   6.406  -2.714
   37    HB2  LYS   6           1HB      LYS   6  -4.445   8.014  -0.866
   38    HB3  LYS   6           2HB      LYS   6  -3.166   7.109  -0.067
   39    HG2  LYS   6           1HG      LYS   6  -1.554   7.962  -1.384
   40    HG3  LYS   6           2HG      LYS   6  -2.581   7.966  -2.820
   41    HD2  LYS   6           1HD      LYS   6  -2.055  10.241  -2.202
   42    HD3  LYS   6           2HD      LYS   6  -3.770   9.939  -1.916
   43    HE2  LYS   6           1HE      LYS   6  -3.280   9.558   0.467
   44    HE3  LYS   6           2HE      LYS   6  -1.581   9.918   0.161
   45    HZ1  LYS   6           3HZ      LYS   6  -3.461  11.724   0.887
   46    HZ2  LYS   6           1HZ      LYS   6  -3.371  11.956  -0.786
   47    HZ3  LYS   6           2HZ      LYS   6  -1.979  12.098   0.162
   48    H    VAL   7           H        VAL   7  -2.523   6.102  -3.824
   49    HA   VAL   7           HA       VAL   7  -0.998   3.744  -2.989
   50    HB   VAL   7           HB       VAL   7  -1.901   3.615  -5.225
   51   HG11  VAL   7          1HG1      VAL   7  -0.350   5.574  -6.600
   52   HG12  VAL   7          2HG1      VAL   7  -2.105   5.397  -6.532
   53   HG13  VAL   7          3HG1      VAL   7  -1.268   6.366  -5.319
   54   HG21  VAL   7          3HG2      VAL   7   0.641   3.037  -4.562
   55   HG22  VAL   7          1HG2      VAL   7  -0.053   2.697  -6.147
   56   HG23  VAL   7          2HG2      VAL   7   0.922   4.147  -5.904
   57    H    TYR   8           H        TYR   8   1.184   3.763  -2.663
   58    HA   TYR   8           HA       TYR   8   2.469   6.414  -2.643
   59    HB2  TYR   8           1HB      TYR   8   2.089   4.875  -0.486
   60    HB3  TYR   8           2HB      TYR   8   3.606   4.178  -1.043
   61    HD1  TYR   8           HD1      TYR   8   2.250   7.660  -0.823
   62    HD2  TYR   8           HD2      TYR   8   5.404   4.975   0.151
   63    HE1  TYR   8           HE1      TYR   8   3.482   9.503   0.241
   64    HE2  TYR   8           HE2      TYR   8   6.644   6.811   1.220
   65    HH   TYR   8           HH       TYR   8   5.295   9.677   2.093
   66    H    GLU   9           H        GLU   9   3.128   6.200  -4.836
   67    HA   GLU   9           HA       GLU   9   4.629   4.037  -5.833
   68    HB2  GLU   9           1HB      GLU   9   5.181   5.475  -7.690
   69    HB3  GLU   9           2HB      GLU   9   3.502   5.740  -7.245
   70    HG2  GLU   9           1HG      GLU   9   4.273   7.733  -5.926
   71    HG3  GLU   9           2HG      GLU   9   5.857   7.513  -6.668
   72    H    ASN  10           H        ASN  10   5.450   6.531  -3.671
   73    HA   ASN  10           HA       ASN  10   8.182   6.878  -4.236
   74    HB2  ASN  10           1HB      ASN  10   6.350   7.519  -2.042
   75    HB3  ASN  10           2HB      ASN  10   7.998   7.208  -1.504
   76   HD21  ASN  10          2HD2      ASN  10   9.595   8.230  -3.298
   77   HD22  ASN  10          1HD2      ASN  10   9.311   9.916  -3.547
   78    H    TYR  11           H        TYR  11   6.442   4.362  -2.585
   79    HA   TYR  11           HA       TYR  11   8.760   3.221  -1.324
   80    HB2  TYR  11           1HB      TYR  11   5.940   2.874  -1.164
   81    HB3  TYR  11           2HB      TYR  11   6.649   1.311  -1.556
   82    HD1  TYR  11           HD2      TYR  11   7.847   4.120   0.599
   83    HD2  TYR  11           HD1      TYR  11   6.695   0.031   0.368
   84    HE1  TYR  11           HE2      TYR  11   8.470   3.817   2.959
   85    HE2  TYR  11           HE1      TYR  11   7.312  -0.283   2.728
   86    HH   TYR  11           HH       TYR  11   8.825   0.793   4.393
   87    HA   PRO  12           HA       PRO  12  10.282   0.785  -4.650
   88    HB2  PRO  12           1HB      PRO  12  11.401  -1.263  -3.264
   89    HB3  PRO  12           2HB      PRO  12  12.105   0.357  -3.319
   90    HG2  PRO  12           1HG      PRO  12  10.418  -0.904  -1.191
   91    HG3  PRO  12           2HG      PRO  12  11.875   0.093  -1.020
   92    HD2  PRO  12           1HD      PRO  12   9.381   1.084  -0.664
   93    HD3  PRO  12           2HD      PRO  12  10.714   2.063  -1.311
   94    H    VAL  13           H        VAL  13   9.602  -0.831  -5.966
   95    HA   VAL  13           HA       VAL  13   7.159  -2.153  -5.394
   96    HB   VAL  13           HB       VAL  13   9.123  -2.735  -7.615
   97   HG11  VAL  13          1HG1      VAL  13   6.827  -3.395  -8.704
   98   HG12  VAL  13          2HG1      VAL  13   7.706  -4.539  -7.688
   99   HG13  VAL  13          3HG1      VAL  13   6.345  -3.634  -7.025
  100   HG21  VAL  13          3HG2      VAL  13   8.613  -0.563  -8.084
  101   HG22  VAL  13          1HG2      VAL  13   7.221  -1.343  -8.837
  102   HG23  VAL  13          2HG2      VAL  13   7.070  -0.625  -7.233
  103    H    SER  14           H        SER  14  10.426  -2.927  -4.757
  104    HA   SER  14           HA       SER  14  10.306  -5.744  -4.816
  105    HB2  SER  14           1HB      SER  14  12.097  -3.739  -3.491
  106    HB3  SER  14           2HB      SER  14  12.229  -5.442  -3.049
  107    HG   SER  14           HG       SER  14  13.299  -4.261  -5.125
  108    H    LYS  15           H        LYS  15   9.320  -3.381  -2.450
  109    HA   LYS  15           HA       LYS  15   9.064  -5.181  -0.258
  110    HB2  LYS  15           1HB      LYS  15   8.319  -2.378  -0.840
  111    HB3  LYS  15           2HB      LYS  15   7.347  -3.191   0.379
  112    HG2  LYS  15           1HG      LYS  15   9.246  -1.931   1.321
  113    HG3  LYS  15           2HG      LYS  15   9.294  -3.653   1.705
  114    HD2  LYS  15           1HD      LYS  15  11.164  -4.009   0.480
  115    HD3  LYS  15           2HD      LYS  15  10.706  -2.834  -0.755
  116    HE2  LYS  15           1HE      LYS  15  12.505  -1.781   0.218
  117    HE3  LYS  15           2HE      LYS  15  11.169  -1.098   1.143
  118    HZ1  LYS  15           3HZ      LYS  15  13.343  -2.707   2.038
  119    HZ2  LYS  15           1HZ      LYS  15  11.858  -3.384   2.486
  120    HZ3  LYS  15           2HZ      LYS  15  12.238  -1.799   2.941
  121    H    CYS  16           H        CYS  16   7.056  -4.334  -2.956
  122    HA   CYS  16           HA       CYS  16   4.527  -4.990  -2.056
  123    HB2  CYS  16           1HB      CYS  16   4.898  -4.035  -4.259
  124    HB3  CYS  16           2HB      CYS  16   5.750  -5.487  -4.777
  125    H    GLN  17           H        GLN  17   7.189  -7.085  -2.905
  126    HA   GLN  17           HA       GLN  17   5.857  -9.505  -3.234
  127    HB2  GLN  17           1HB      GLN  17   8.545  -9.137  -1.904
  128    HB3  GLN  17           2HB      GLN  17   7.958 -10.581  -2.718
  129    HG2  GLN  17           1HG      GLN  17   7.890  -9.311  -4.836
  130    HG3  GLN  17           2HG      GLN  17   8.595  -7.931  -3.992
  131   HE21  GLN  17          2HE2      GLN  17   9.161 -11.018  -5.401
  132   HE22  GLN  17          1HE2      GLN  17  10.879 -11.029  -5.221
  133    H    LEU  18           H        LEU  18   6.453  -7.657  -0.372
  134    HA   LEU  18           HA       LEU  18   5.589  -9.892   1.324
  135    HB2  LEU  18           1HB      LEU  18   6.797  -7.239   2.092
  136    HB3  LEU  18           2HB      LEU  18   6.384  -8.544   3.204
  137    HG   LEU  18           HG       LEU  18   8.402  -8.897   1.003
  138   HD11  LEU  18          1HD1      LEU  18  10.050  -8.595   2.963
  139   HD12  LEU  18          2HD1      LEU  18   8.736  -7.697   3.723
  140   HD13  LEU  18          3HD1      LEU  18   9.392  -7.159   2.176
  141   HD21  LEU  18          3HD2      LEU  18   8.454 -10.318   3.609
  142   HD22  LEU  18          1HD2      LEU  18   8.924 -10.876   2.004
  143   HD23  LEU  18          2HD2      LEU  18   7.218 -10.779   2.439
  144    H    ALA  19           H        ALA  19   3.713  -9.838   2.446
  145    HA   ALA  19           HA       ALA  19   1.842  -7.707   1.784
  146    HB1  ALA  19           3HB      ALA  19   0.653  -9.611   1.534
  147    HB2  ALA  19           1HB      ALA  19   1.624 -10.502   2.709
  148    HB3  ALA  19           2HB      ALA  19   0.368  -9.393   3.261
  149    H    ASN  20           H        ASN  20   3.376  -9.159   4.616
  150    HA   ASN  20           HA       ASN  20   1.974  -7.567   6.519
  151    HB2  ASN  20           1HB      ASN  20   3.108  -9.782   6.981
  152    HB3  ASN  20           2HB      ASN  20   4.645  -8.924   6.914
  153   HD21  ASN  20          2HD2      ASN  20   1.708  -9.416   8.692
  154   HD22  ASN  20          1HD2      ASN  20   2.218  -8.639  10.148
  155    H    GLN  21           H        GLN  21   4.641  -7.004   4.449
  156    HA   GLN  21           HA       GLN  21   5.881  -4.952   6.028
  157    HB2  GLN  21           1HB      GLN  21   7.186  -6.229   4.409
  158    HB3  GLN  21           2HB      GLN  21   6.170  -5.642   3.099
  159    HG2  GLN  21           1HG      GLN  21   7.696  -4.055   2.825
  160    HG3  GLN  21           2HG      GLN  21   7.032  -3.324   4.285
  161   HE21  GLN  21          2HE2      GLN  21   8.059  -3.797   6.303
  162   HE22  GLN  21          1HE2      GLN  21   9.736  -4.211   6.348
  163    H    CYS  22           H        CYS  22   3.683  -5.029   3.251
  164    HA   CYS  22           HA       CYS  22   3.575  -2.263   2.793
  165    HB2  CYS  22           1HB      CYS  22   2.175  -4.624   1.884
  166    HB3  CYS  22           2HB      CYS  22   1.050  -3.292   2.131
  167    H    ASN  23           H        ASN  23   1.110  -4.285   4.400
  168    HA   ASN  23           HA       ASN  23  -0.454  -2.224   5.390
  169    HB2  ASN  23           1HB      ASN  23  -1.576  -3.830   6.609
  170    HB3  ASN  23           2HB      ASN  23  -0.762  -4.843   5.420
  171   HD21  ASN  23          2HD2      ASN  23  -1.399  -4.443   8.630
  172   HD22  ASN  23          1HD2      ASN  23  -0.144  -5.427   9.292
  173    H    TYR  24           H        TYR  24   2.546  -3.529   6.602
  174    HA   TYR  24           HA       TYR  24   2.424  -2.429   9.206
  175    HB2  TYR  24           1HB      TYR  24   3.987  -4.184   8.814
  176    HB3  TYR  24           2HB      TYR  24   4.732  -3.317   7.476
  177    HD1  TYR  24           HD1      TYR  24   4.404  -3.475  11.142
  178    HD2  TYR  24           HD2      TYR  24   6.408  -1.650   7.861
  179    HE1  TYR  24           HE1      TYR  24   6.066  -2.530  12.690
  180    HE2  TYR  24           HE2      TYR  24   8.077  -0.702   9.400
  181    HH   TYR  24           HH       TYR  24   8.784  -0.577  11.500
  182    H    ASP  25           H        ASP  25   4.019  -1.302   6.230
  183    HA   ASP  25           HA       ASP  25   4.912   1.146   7.386
  184    HB2  ASP  25           1HB      ASP  25   6.176   0.430   5.543
  185    HB3  ASP  25           2HB      ASP  25   4.743   0.089   4.576
  186    H    CYS  26           H        CYS  26   2.015   0.117   5.748
  187    HA   CYS  26           HA       CYS  26   1.034   2.744   5.187
  188    HB2  CYS  26           1HB      CYS  26  -0.249   0.015   5.214
  189    HB3  CYS  26           2HB      CYS  26  -1.167   1.478   4.873
  190    H    LYS  27           H        LYS  27   0.127   0.270   7.588
  191    HA   LYS  27           HA       LYS  27  -1.679   1.937   8.991
  192    HB2  LYS  27           1HB      LYS  27  -0.218  -0.573   9.818
  193    HB3  LYS  27           2HB      LYS  27  -1.444   0.210  10.807
  194    HG2  LYS  27           1HG      LYS  27  -2.766  -0.040   8.458
  195    HG3  LYS  27           2HG      LYS  27  -1.728  -1.467   8.418
  196    HD2  LYS  27           1HD      LYS  27  -3.604  -0.701  10.655
  197    HD3  LYS  27           2HD      LYS  27  -3.880  -1.970   9.458
  198    HE2  LYS  27           1HE      LYS  27  -1.709  -3.003  10.282
  199    HE3  LYS  27           2HE      LYS  27  -1.808  -1.877  11.636
  200    HZ1  LYS  27           3HZ      LYS  27  -4.182  -2.858  11.865
  201    HZ2  LYS  27           1HZ      LYS  27  -2.858  -3.716  12.474
  202    HZ3  LYS  27           2HZ      LYS  27  -3.544  -4.159  10.993
  203    H    LEU  28           H        LEU  28   1.679   1.958   8.824
  204    HA   LEU  28           HA       LEU  28   2.200   2.851  11.510
  205    HB2  LEU  28           1HB      LEU  28   3.910   1.655  10.294
  206    HB3  LEU  28           2HB      LEU  28   3.895   2.871   9.018
  207    HG   LEU  28           HG       LEU  28   5.810   2.862  10.767
  208   HD11  LEU  28          1HD1      LEU  28   4.576   5.551  10.482
  209   HD12  LEU  28          2HD1      LEU  28   5.005   4.662   9.021
  210   HD13  LEU  28          3HD1      LEU  28   6.243   5.035  10.221
  211   HD21  LEU  28          3HD2      LEU  28   3.910   2.919  12.600
  212   HD22  LEU  28          1HD2      LEU  28   4.027   4.657  12.328
  213   HD23  LEU  28          2HD2      LEU  28   5.449   3.747  12.841
  214    H    ASP  29           H        ASP  29   2.588   4.449   8.341
  215    HA   ASP  29           HA       ASP  29   2.359   7.046   9.660
  216    HB2  ASP  29           1HB      ASP  29   4.156   6.435   7.908
  217    HB3  ASP  29           2HB      ASP  29   2.865   6.623   6.725
  218    H    LYS  30           H        LYS  30   0.926   5.332   6.885
  219    HA   LYS  30           HA       LYS  30  -1.132   7.257   6.491
  220    HB2  LYS  30           1HB      LYS  30  -1.225   4.387   5.579
  221    HB3  LYS  30           2HB      LYS  30  -1.989   5.787   4.837
  222    HG2  LYS  30           1HG      LYS  30   0.765   6.331   4.887
  223    HG3  LYS  30           2HG      LYS  30   0.592   4.659   4.346
  224    HD2  LYS  30           1HD      LYS  30   0.493   5.942   2.381
  225    HD3  LYS  30           2HD      LYS  30  -1.188   5.541   2.743
  226    HE2  LYS  30           1HE      LYS  30  -0.977   7.856   4.085
  227    HE3  LYS  30           2HE      LYS  30   0.208   8.148   2.813
  228    HZ1  LYS  30           3HZ      LYS  30  -2.271   8.762   2.445
  229    HZ2  LYS  30           1HZ      LYS  30  -2.449   7.117   2.095
  230    HZ3  LYS  30           2HZ      LYS  30  -1.384   8.064   1.184
  231    H    HIS  31           H        HIS  31  -0.679   4.912   8.838
  232    HA   HIS  31           HA       HIS  31  -2.017   3.911  10.392
  233    HB2  HIS  31           1HB      HIS  31  -3.400   6.531   9.877
  234    HB3  HIS  31           2HB      HIS  31  -4.040   5.386  11.052
  235    HD1  HIS  31           HD1      HIS  31  -1.011   4.561  11.949
  236    HD2  HIS  31           HD2      HIS  31  -2.745   8.336  11.931
  237    HE1  HIS  31           HE1      HIS  31   0.297   5.908  13.621
  238    H    ALA  32           H        ALA  32  -2.509   3.278   7.549
  239    HA   ALA  32           HA       ALA  32  -5.248   3.025   6.999
  240    HB1  ALA  32           3HB      ALA  32  -2.888   2.413   5.689
  241    HB2  ALA  32           1HB      ALA  32  -3.671   0.848   5.911
  242    HB3  ALA  32           2HB      ALA  32  -4.524   2.151   5.083
  243    H    ARG  33           H        ARG  33  -5.678   0.348   6.422
  244    HA   ARG  33           HA       ARG  33  -5.560  -0.983   9.040
  245    HB2  ARG  33           1HB      ARG  33  -7.811   0.166   8.442
  246    HB3  ARG  33           2HB      ARG  33  -8.009  -1.168   7.314
  247    HG2  ARG  33           1HG      ARG  33  -7.866  -2.765   9.131
  248    HG3  ARG  33           2HG      ARG  33  -7.581  -1.455  10.280
  249    HD2  ARG  33           1HD      ARG  33  -9.802  -0.501   9.555
  250    HD3  ARG  33           2HD      ARG  33 -10.076  -2.013   8.692
  251    HE   ARG  33           HE       ARG  33 -10.269  -1.580  11.516
  252   HH11  ARG  33          1HH1      ARG  33  -9.615  -3.945   9.047
  253   HH12  ARG  33          2HH1      ARG  33 -10.077  -5.293  10.033
  254   HH21  ARG  33          1HH2      ARG  33 -10.880  -3.345  12.824
  255   HH22  ARG  33          2HH2      ARG  33 -10.797  -4.950  12.181
  256    H    SER  34           H        SER  34  -6.035  -1.290   5.556
  257    HA   SER  34           HA       SER  34  -4.967  -4.028   5.732
  258    HB2  SER  34           1HB      SER  34  -7.449  -3.962   5.256
  259    HB3  SER  34           2HB      SER  34  -7.065  -3.153   3.737
  260    HG   SER  34           HG       SER  34  -7.111  -5.728   4.181
  261    H    GLY  35           H        GLY  35  -3.446  -1.694   5.297
  262    HA2  GLY  35           1HA      GLY  35  -2.975  -0.918   2.695
  263    HA3  GLY  35           2HA      GLY  35  -1.727  -1.016   3.930
  264    H    GLU  36           H        GLU  36  -2.496  -2.002   0.916
  265    HA   GLU  36           HA       GLU  36  -0.522  -4.133   1.005
  266    HB2  GLU  36           1HB      GLU  36  -2.996  -5.004   1.279
  267    HB3  GLU  36           2HB      GLU  36  -3.053  -4.750  -0.460
  268    HG2  GLU  36           1HG      GLU  36  -1.454  -6.373  -0.881
  269    HG3  GLU  36           2HG      GLU  36  -0.836  -6.333   0.769
  270    H    CYS  37           H        CYS  37  -0.029  -4.920  -1.268
  271    HA   CYS  37           HA       CYS  37  -0.027  -2.593  -3.059
  272    HB2  CYS  37           1HB      CYS  37   1.960  -3.459  -4.042
  273    HB3  CYS  37           2HB      CYS  37   2.160  -3.620  -2.300
  274    H    PHE  38           H        PHE  38  -0.364  -2.893  -5.325
  275    HA   PHE  38           HA       PHE  38  -1.310  -5.375  -6.373
  276    HB2  PHE  38           1HB      PHE  38  -3.227  -4.078  -4.953
  277    HB3  PHE  38           2HB      PHE  38  -3.475  -3.372  -6.547
  278    HD1  PHE  38           HD2      PHE  38  -2.685  -6.791  -5.267
  279    HD2  PHE  38           HD1      PHE  38  -5.200  -4.351  -7.683
  280    HE1  PHE  38           HE2      PHE  38  -3.958  -8.783  -5.946
  281    HE2  PHE  38           HE1      PHE  38  -6.478  -6.339  -8.365
  282    HZ   PHE  38           HZ       PHE  38  -5.858  -8.558  -7.496
  283    H    TYR  39           H        TYR  39  -1.947  -5.199  -8.645
  284    HA   TYR  39           HA       TYR  39  -0.250  -3.398 -10.048
  285    HB2  TYR  39           1HB      TYR  39  -1.057  -4.466 -12.052
  286    HB3  TYR  39           2HB      TYR  39  -0.816  -5.704 -10.825
  287    HD1  TYR  39           HD1      TYR  39  -2.732  -6.822  -9.793
  288    HD2  TYR  39           HD2      TYR  39  -3.268  -3.922 -12.859
  289    HE1  TYR  39           HE1      TYR  39  -5.047  -7.592 -10.107
  290    HE2  TYR  39           HE2      TYR  39  -5.585  -4.683 -13.182
  291    HH   TYR  39           HH       TYR  39  -7.319  -5.854 -12.000
  292    H    ASP  40           H        ASP  40  -0.670  -1.491 -10.987
  293    HA   ASP  40           HA       ASP  40  -3.286  -0.299 -10.537
  294    HB2  ASP  40           1HB      ASP  40  -0.787   0.726 -10.295
  295    HB3  ASP  40           2HB      ASP  40  -1.195   1.267 -11.921
  296    H    GLU  41           H        GLU  41  -3.721   1.428 -12.482
  297    HA   GLU  41           HA       GLU  41  -4.713  -0.139 -14.601
  298    HB2  GLU  41           1HB      GLU  41  -5.421   1.935 -15.602
  299    HB3  GLU  41           2HB      GLU  41  -5.681   2.031 -13.866
  300    HG2  GLU  41           1HG      GLU  41  -3.308   3.145 -13.893
  301    HG3  GLU  41           2HG      GLU  41  -3.722   3.473 -15.574
  302    H    LYS  42           H        LYS  42  -1.669   1.378 -14.081
  303    HA   LYS  42           HA       LYS  42  -0.931   1.118 -16.906
  304    HB2  LYS  42           1HB      LYS  42   0.450   2.452 -14.574
  305    HB3  LYS  42           2HB      LYS  42   1.167   2.304 -16.173
  306    HG2  LYS  42           1HG      LYS  42  -1.510   3.589 -15.807
  307    HG3  LYS  42           2HG      LYS  42  -0.018   4.495 -15.544
  308    HD2  LYS  42           1HD      LYS  42   0.686   4.141 -17.792
  309    HD3  LYS  42           2HD      LYS  42  -0.607   2.972 -18.076
  310    HE2  LYS  42           1HE      LYS  42  -1.540   4.809 -19.053
  311    HE3  LYS  42           2HE      LYS  42  -2.122   5.033 -17.404
  312    HZ1  LYS  42           3HZ      LYS  42   0.414   6.247 -18.312
  313    HZ2  LYS  42           1HZ      LYS  42  -0.555   6.682 -16.995
  314    HZ3  LYS  42           2HZ      LYS  42  -1.070   7.018 -18.570
  315    H    ARG  43           H        ARG  43  -1.310  -1.154 -15.016
  316    HA   ARG  43           HA       ARG  43  -0.319  -3.125 -14.457
  317    HB2  ARG  43           1HB      ARG  43   1.157  -2.266 -16.914
  318    HB3  ARG  43           2HB      ARG  43   1.698  -3.696 -16.043
  319    HG2  ARG  43           1HG      ARG  43  -1.148  -3.356 -16.932
  320    HG3  ARG  43           2HG      ARG  43   0.093  -4.044 -17.982
  321    HD2  ARG  43           1HD      ARG  43  -0.413  -5.100 -15.216
  322    HD3  ARG  43           2HD      ARG  43  -1.336  -5.662 -16.610
  323    HE   ARG  43           HE       ARG  43   1.376  -6.323 -15.952
  324   HH11  ARG  43          1HH1      ARG  43  -0.930  -6.005 -18.540
  325   HH12  ARG  43          2HH1      ARG  43  -0.107  -7.115 -19.585
  326   HH21  ARG  43          1HH2      ARG  43   2.469  -7.788 -17.317
  327   HH22  ARG  43          2HH2      ARG  43   1.826  -8.129 -18.888
  328    H    ASN  44           H        ASN  44   0.636  -0.631 -13.183
  329    HA   ASN  44           HA       ASN  44   3.415  -1.339 -12.561
  330    HB2  ASN  44           1HB      ASN  44   1.815   1.170 -12.026
  331    HB3  ASN  44           2HB      ASN  44   3.450   0.906 -11.423
  332   HD21  ASN  44          2HD2      ASN  44   2.165   2.793 -13.418
  333   HD22  ASN  44          1HD2      ASN  44   3.192   2.691 -14.805
  334    H    LEU  45           H        LEU  45   3.878  -2.374 -10.741
  335    HA   LEU  45           HA       LEU  45   1.799  -2.836  -8.777
  336    HB2  LEU  45           1HB      LEU  45   4.632  -3.791  -8.571
  337    HB3  LEU  45           2HB      LEU  45   3.173  -4.514  -7.898
  338    HG   LEU  45           HG       LEU  45   2.629  -4.727 -10.529
  339   HD11  LEU  45          1HD1      LEU  45   5.341  -3.982 -10.475
  340   HD12  LEU  45          2HD1      LEU  45   4.395  -4.544 -11.853
  341   HD13  LEU  45          3HD1      LEU  45   5.293  -5.701 -10.871
  342   HD21  LEU  45          3HD2      LEU  45   2.842  -6.974 -10.199
  343   HD22  LEU  45          1HD2      LEU  45   2.894  -6.427  -8.522
  344   HD23  LEU  45          2HD2      LEU  45   4.390  -6.820  -9.368
  345    H    GLN  46           H        GLN  46   1.474  -1.448  -7.177
  346    HA   GLN  46           HA       GLN  46   3.807  -0.264  -5.845
  347    HB2  GLN  46           1HB      GLN  46   1.267   1.248  -6.478
  348    HB3  GLN  46           2HB      GLN  46   2.695   1.884  -5.670
  349    HG2  GLN  46           1HG      GLN  46   2.564   0.925  -8.521
  350    HG3  GLN  46           2HG      GLN  46   2.577   2.607  -7.990
  351   HE21  GLN  46          2HE2      GLN  46   4.438   1.117  -9.706
  352   HE22  GLN  46          1HE2      GLN  46   5.992   1.296  -8.974
  353    H    CYS  47           H        CYS  47   3.211   0.667  -3.677
  354    HA   CYS  47           HA       CYS  47   1.459  -1.230  -2.313
  355    HB2  CYS  47           1HB      CYS  47   3.828  -0.796  -1.542
  356    HB3  CYS  47           2HB      CYS  47   3.298   0.813  -1.063
  357    H    ILE  48           H        ILE  48  -0.599  -0.639  -2.132
  358    HA   ILE  48           HA       ILE  48  -1.246   2.200  -1.764
  359    HB   ILE  48           HB       ILE  48  -3.120  -0.073  -2.426
  360   HG12  ILE  48          1HG1      ILE  48  -3.032   1.515  -4.645
  361   HG13  ILE  48          2HG1      ILE  48  -1.363   1.606  -4.094
  362   HG21  ILE  48          1HG2      ILE  48  -3.530   2.912  -2.557
  363   HG22  ILE  48          2HG2      ILE  48  -4.713   1.673  -2.973
  364   HG23  ILE  48          3HG2      ILE  48  -4.168   1.846  -1.305
  365   HD11  ILE  48          3HD1      ILE  48  -2.758  -0.541  -5.424
  366   HD12  ILE  48          1HD1      ILE  48  -1.029  -0.289  -5.190
  367   HD13  ILE  48          2HD1      ILE  48  -1.982  -1.085  -3.937
  368    H    CYS  49           H        CYS  49  -2.428   2.934  -0.035
  369    HA   CYS  49           HA       CYS  49  -2.854   0.997   2.147
  370    HB2  CYS  49           1HB      CYS  49  -2.365   3.949   2.524
  371    HB3  CYS  49           2HB      CYS  49  -2.286   2.672   3.734
  372    H    ASP  50           H        ASP  50  -4.823   0.877   3.057
  373    HA   ASP  50           HA       ASP  50  -6.840   2.845   2.194
  374    HB2  ASP  50           1HB      ASP  50  -7.076   0.496   1.268
  375    HB3  ASP  50           2HB      ASP  50  -7.399  -0.032   2.918
  376    H    TYR  51           H        TYR  51  -7.756   3.992   3.757
  377    HA   TYR  51           HA       TYR  51  -7.701   2.919   6.501
  378    HB2  TYR  51           1HB      TYR  51  -6.098   4.783   6.187
  379    HB3  TYR  51           2HB      TYR  51  -7.428   5.820   5.685
  380    HD1  TYR  51           HD2      TYR  51  -7.349   3.350   8.466
  381    HD2  TYR  51           HD1      TYR  51  -7.507   7.455   7.356
  382    HE1  TYR  51           HE2      TYR  51  -7.748   3.963  10.814
  383    HE2  TYR  51           HE1      TYR  51  -7.906   8.079   9.701
  384    HH   TYR  51           HH       TYR  51  -8.883   5.987  12.020
  385    H    CYS  52           H        CYS  52  -9.694   2.425   7.111
  386    HA   CYS  52           HA       CYS  52 -11.898   4.201   6.287
  387    HB2  CYS  52           1HB      CYS  52 -11.715   1.645   5.526
  388    HB3  CYS  52           2HB      CYS  52 -12.473   1.394   7.095
  389    H    GLU  53           H        GLU  53 -13.245   4.973   7.831
  390    HA   GLU  53           HA       GLU  53 -12.644   4.203  10.609
  391    HB2  GLU  53           1HB      GLU  53 -12.147   6.572   9.926
  392    HB3  GLU  53           2HB      GLU  53 -13.871   6.795   9.660
  393    HG2  GLU  53           1HG      GLU  53 -14.365   6.546  11.942
  394    HG3  GLU  53           2HG      GLU  53 -12.768   5.889  12.298
  395    H    TYR  54           H        TYR  54 -14.122   2.759  11.243
  396    HA   TYR  54           HA       TYR  54 -16.839   2.839  10.283
  397    HB2  TYR  54           1HB      TYR  54 -15.359   0.769  10.942
  398    HB3  TYR  54           2HB      TYR  54 -15.965   1.103  12.561
  399    HD1  TYR  54           HD2      TYR  54 -18.563   1.342  12.767
  400    HD2  TYR  54           HD1      TYR  54 -16.595  -0.591   9.528
  401    HE1  TYR  54           HE2      TYR  54 -20.631   0.114  12.250
  402    HE2  TYR  54           HE1      TYR  54 -18.657  -1.824   9.002
  403    HH   TYR  54           HH       TYR  54 -21.485  -1.077   9.741
  Start of MODEL    9
    1    H1   ASP   2           H        ASP   2 -18.738   4.515   3.530
    2    HA   ASP   2           HA       ASP   2 -16.773   4.723   1.675
    3    HB2  ASP   2           1HB      ASP   2 -17.398   6.969   3.598
    4    HB3  ASP   2           2HB      ASP   2 -16.862   7.105   1.924
    5    H    CYS   3           H        CYS   3 -14.621   4.715   1.621
    6    HA   CYS   3           HA       CYS   3 -13.139   5.285   4.096
    7    HB2  CYS   3           1HB      CYS   3 -12.311   3.094   2.200
    8    HB3  CYS   3           2HB      CYS   3 -11.738   3.396   3.838
    9    H    LYS   4           H        LYS   4 -10.700   5.467   3.550
   10    HA   LYS   4           HA       LYS   4 -10.427   7.007   1.050
   11    HB2  LYS   4           1HB      LYS   4 -10.250   8.627   2.717
   12    HB3  LYS   4           2HB      LYS   4  -9.413   7.543   3.821
   13    HG2  LYS   4           1HG      LYS   4  -7.384   7.995   2.948
   14    HG3  LYS   4           2HG      LYS   4  -8.007   8.172   1.306
   15    HD2  LYS   4           1HD      LYS   4  -8.773  10.221   3.320
   16    HD3  LYS   4           2HD      LYS   4  -7.121  10.246   2.701
   17    HE2  LYS   4           1HE      LYS   4  -8.178  11.617   1.191
   18    HE3  LYS   4           2HE      LYS   4  -8.307  10.059   0.378
   19    HZ1  LYS   4           3HZ      LYS   4 -10.459  10.972   2.168
   20    HZ2  LYS   4           1HZ      LYS   4 -10.538   9.886   0.874
   21    HZ3  LYS   4           2HZ      LYS   4 -10.382  11.545   0.578
   22    H    ARG   5           H        ARG   5  -9.067   6.140  -0.359
   23    HA   ARG   5           HA       ARG   5  -6.830   4.514   0.659
   24    HB2  ARG   5           1HB      ARG   5  -7.032   3.174  -1.440
   25    HB3  ARG   5           2HB      ARG   5  -8.409   3.018  -0.355
   26    HG2  ARG   5           1HG      ARG   5  -9.442   3.237  -2.391
   27    HG3  ARG   5           2HG      ARG   5  -9.431   4.908  -1.823
   28    HD2  ARG   5           1HD      ARG   5  -8.023   5.575  -3.441
   29    HD3  ARG   5           2HD      ARG   5  -7.033   4.121  -3.310
   30    HE   ARG   5           HE       ARG   5  -9.457   3.427  -4.518
   31   HH11  ARG   5          1HH1      ARG   5  -6.614   5.324  -5.183
   32   HH12  ARG   5          2HH1      ARG   5  -6.714   5.108  -6.900
   33   HH21  ARG   5          1HH2      ARG   5  -9.598   3.136  -6.776
   34   HH22  ARG   5          2HH2      ARG   5  -8.411   3.864  -7.804
   35    H    LYS   6           H        LYS   6  -4.863   4.653  -0.442
   36    HA   LYS   6           HA       LYS   6  -4.590   6.425  -2.710
   37    HB2  LYS   6           1HB      LYS   6  -4.564   8.056  -0.927
   38    HB3  LYS   6           2HB      LYS   6  -3.384   7.112  -0.026
   39    HG2  LYS   6           1HG      LYS   6  -1.645   7.707  -1.418
   40    HG3  LYS   6           2HG      LYS   6  -2.717   8.095  -2.765
   41    HD2  LYS   6           1HD      LYS   6  -2.681   9.682  -0.207
   42    HD3  LYS   6           2HD      LYS   6  -1.632  10.058  -1.577
   43    HE2  LYS   6           1HE      LYS   6  -3.578  10.362  -3.005
   44    HE3  LYS   6           2HE      LYS   6  -4.645   9.922  -1.673
   45    HZ1  LYS   6           3HZ      LYS   6  -3.007  11.978  -0.770
   46    HZ2  LYS   6           1HZ      LYS   6  -4.669  12.039  -1.080
   47    HZ3  LYS   6           2HZ      LYS   6  -3.567  12.444  -2.296
   48    H    VAL   7           H        VAL   7  -2.755   6.034  -3.888
   49    HA   VAL   7           HA       VAL   7  -1.096   3.799  -2.947
   50    HB   VAL   7           HB       VAL   7  -2.203   3.340  -5.043
   51   HG11  VAL   7          1HG1      VAL   7  -2.619   4.919  -6.545
   52   HG12  VAL   7          2HG1      VAL   7  -1.732   6.076  -5.551
   53   HG13  VAL   7          3HG1      VAL   7  -0.893   5.163  -6.806
   54   HG21  VAL   7          3HG2      VAL   7   0.344   2.837  -4.584
   55   HG22  VAL   7          1HG2      VAL   7  -0.397   2.459  -6.139
   56   HG23  VAL   7          2HG2      VAL   7   0.570   3.922  -5.956
   57    H    TYR   8           H        TYR   8   1.101   3.940  -2.842
   58    HA   TYR   8           HA       TYR   8   2.286   6.572  -3.445
   59    HB2  TYR   8           1HB      TYR   8   2.088   5.307  -0.950
   60    HB3  TYR   8           2HB      TYR   8   3.764   5.096  -1.444
   61    HD1  TYR   8           HD2      TYR   8   4.644   7.437  -2.663
   62    HD2  TYR   8           HD1      TYR   8   1.776   7.093   0.461
   63    HE1  TYR   8           HE2      TYR   8   5.145   9.740  -1.958
   64    HE2  TYR   8           HE1      TYR   8   2.268   9.396   1.173
   65    HH   TYR   8           HH       TYR   8   3.461  11.606  -0.446
   66    H    GLU   9           H        GLU   9   3.068   5.990  -5.462
   67    HA   GLU   9           HA       GLU   9   4.467   3.609  -6.024
   68    HB2  GLU   9           1HB      GLU   9   5.022   4.589  -8.112
   69    HB3  GLU   9           2HB      GLU   9   3.429   5.203  -7.696
   70    HG2  GLU   9           1HG      GLU   9   4.706   7.216  -6.717
   71    HG3  GLU   9           2HG      GLU   9   6.056   6.626  -7.684
   72    H    ASN  10           H        ASN  10   5.393   6.465  -4.386
   73    HA   ASN  10           HA       ASN  10   8.144   6.545  -4.916
   74    HB2  ASN  10           1HB      ASN  10   6.931   8.358  -3.769
   75    HB3  ASN  10           2HB      ASN  10   6.696   7.314  -2.371
   76   HD21  ASN  10          2HD2      ASN  10   7.933   8.028  -0.797
   77   HD22  ASN  10          1HD2      ASN  10   9.595   8.480  -0.935
   78    H    TYR  11           H        TYR  11   6.272   4.311  -3.126
   79    HA   TYR  11           HA       TYR  11   8.366   3.400  -1.390
   80    HB2  TYR  11           1HB      TYR  11   5.591   2.513  -2.043
   81    HB3  TYR  11           2HB      TYR  11   6.677   1.359  -1.276
   82    HD1  TYR  11           HD1      TYR  11   8.154   2.813   0.666
   83    HD2  TYR  11           HD2      TYR  11   4.100   3.362  -0.507
   84    HE1  TYR  11           HE1      TYR  11   7.659   3.803   2.862
   85    HE2  TYR  11           HE2      TYR  11   3.595   4.356   1.687
   86    HH   TYR  11           HH       TYR  11   6.126   4.762   4.147
   87    HA   PRO  12           HA       PRO  12  10.487   0.581  -3.999
   88    HB2  PRO  12           1HB      PRO  12  11.094  -1.415  -2.262
   89    HB3  PRO  12           2HB      PRO  12  11.885   0.165  -2.224
   90    HG2  PRO  12           1HG      PRO  12   9.643  -0.872  -0.533
   91    HG3  PRO  12           2HG      PRO  12  11.066   0.070  -0.050
   92    HD2  PRO  12           1HD      PRO  12   8.626   1.191  -0.400
   93    HD3  PRO  12           2HD      PRO  12  10.135   2.063  -0.737
   94    H    VAL  13           H        VAL  13   9.751  -0.774  -5.503
   95    HA   VAL  13           HA       VAL  13   7.286  -2.153  -5.243
   96    HB   VAL  13           HB       VAL  13   9.433  -2.550  -7.332
   97   HG11  VAL  13          1HG1      VAL  13   6.699  -3.602  -6.970
   98   HG12  VAL  13          2HG1      VAL  13   7.120  -3.056  -8.595
   99   HG13  VAL  13          3HG1      VAL  13   8.086  -4.302  -7.804
  100   HG21  VAL  13          3HG2      VAL  13   8.952  -0.467  -7.965
  101   HG22  VAL  13          1HG2      VAL  13   7.358  -1.067  -8.423
  102   HG23  VAL  13          2HG2      VAL  13   7.608  -0.357  -6.827
  103    H    SER  14           H        SER  14  10.522  -2.973  -4.456
  104    HA   SER  14           HA       SER  14  10.321  -5.797  -4.687
  105    HB2  SER  14           1HB      SER  14  12.192  -3.961  -3.202
  106    HB3  SER  14           2HB      SER  14  12.309  -5.713  -3.046
  107    HG   SER  14           HG       SER  14  12.781  -5.874  -5.193
  108    H    LYS  15           H        LYS  15   9.437  -3.494  -2.229
  109    HA   LYS  15           HA       LYS  15   9.145  -5.390  -0.111
  110    HB2  LYS  15           1HB      LYS  15   8.501  -2.519  -0.531
  111    HB3  LYS  15           2HB      LYS  15   7.603  -3.365   0.721
  112    HG2  LYS  15           1HG      LYS  15   9.590  -2.217   1.590
  113    HG3  LYS  15           2HG      LYS  15   9.650  -3.962   1.847
  114    HD2  LYS  15           1HD      LYS  15  11.170  -4.240   0.010
  115    HD3  LYS  15           2HD      LYS  15  10.995  -2.544  -0.451
  116    HE2  LYS  15           1HE      LYS  15  12.083  -3.446   2.210
  117    HE3  LYS  15           2HE      LYS  15  13.098  -3.110   0.808
  118    HZ1  LYS  15           3HZ      LYS  15  11.186  -1.073   1.722
  119    HZ2  LYS  15           1HZ      LYS  15  12.655  -0.877   0.906
  120    HZ3  LYS  15           2HZ      LYS  15  12.646  -1.266   2.552
  121    H    CYS  16           H        CYS  16   7.186  -4.369  -2.759
  122    HA   CYS  16           HA       CYS  16   4.615  -4.823  -1.876
  123    HB2  CYS  16           1HB      CYS  16   4.982  -3.944  -4.076
  124    HB3  CYS  16           2HB      CYS  16   5.865  -5.386  -4.568
  125    H    GLN  17           H        GLN  17   7.079  -7.153  -2.782
  126    HA   GLN  17           HA       GLN  17   5.516  -9.449  -2.987
  127    HB2  GLN  17           1HB      GLN  17   8.323  -9.253  -1.881
  128    HB3  GLN  17           2HB      GLN  17   7.559 -10.700  -2.524
  129    HG2  GLN  17           1HG      GLN  17   7.393  -9.588  -4.724
  130    HG3  GLN  17           2HG      GLN  17   8.268  -8.210  -4.058
  131   HE21  GLN  17          2HE2      GLN  17   9.135  -9.690  -6.263
  132   HE22  GLN  17          1HE2      GLN  17  10.605 -10.494  -5.840
  133    H    LEU  18           H        LEU  18   6.660  -7.723  -0.173
  134    HA   LEU  18           HA       LEU  18   5.941  -9.817   1.673
  135    HB2  LEU  18           1HB      LEU  18   7.003  -7.040   1.902
  136    HB3  LEU  18           2HB      LEU  18   6.275  -7.799   3.316
  137    HG   LEU  18           HG       LEU  18   8.835  -7.914   3.002
  138   HD11  LEU  18          1HD1      LEU  18   7.086 -10.265   3.669
  139   HD12  LEU  18          2HD1      LEU  18   7.826  -9.105   4.771
  140   HD13  LEU  18          3HD1      LEU  18   8.833 -10.272   3.914
  141   HD21  LEU  18          3HD2      LEU  18   8.735  -8.662   0.650
  142   HD22  LEU  18          1HD2      LEU  18   8.000 -10.172   1.186
  143   HD23  LEU  18          2HD2      LEU  18   9.643  -9.768   1.683
  144    H    ALA  19           H        ALA  19   4.091 -10.031   2.806
  145    HA   ALA  19           HA       ALA  19   1.867  -8.296   2.070
  146    HB1  ALA  19           3HB      ALA  19   2.142 -11.040   3.134
  147    HB2  ALA  19           1HB      ALA  19   0.709 -10.137   3.627
  148    HB3  ALA  19           2HB      ALA  19   1.043 -10.398   1.914
  149    H    ASN  20           H        ASN  20   3.874  -9.075   4.811
  150    HA   ASN  20           HA       ASN  20   2.161  -7.617   6.657
  151    HB2  ASN  20           1HB      ASN  20   4.528  -9.401   6.904
  152    HB3  ASN  20           2HB      ASN  20   4.311  -8.181   8.155
  153   HD21  ASN  20          2HD2      ASN  20   2.279  -8.162   9.304
  154   HD22  ASN  20          1HD2      ASN  20   1.416  -9.643   9.526
  155    H    GLN  21           H        GLN  21   4.774  -7.007   4.576
  156    HA   GLN  21           HA       GLN  21   5.910  -4.830   6.082
  157    HB2  GLN  21           1HB      GLN  21   7.239  -6.219   4.500
  158    HB3  GLN  21           2HB      GLN  21   6.305  -5.542   3.171
  159    HG2  GLN  21           1HG      GLN  21   8.092  -4.161   3.081
  160    HG3  GLN  21           2HG      GLN  21   7.122  -3.267   4.251
  161   HE21  GLN  21          2HE2      GLN  21  10.048  -4.874   3.656
  162   HE22  GLN  21          1HE2      GLN  21  10.718  -4.749   5.243
  163    H    CYS  22           H        CYS  22   3.777  -5.179   3.278
  164    HA   CYS  22           HA       CYS  22   3.555  -2.464   2.624
  165    HB2  CYS  22           1HB      CYS  22   2.542  -4.823   1.621
  166    HB3  CYS  22           2HB      CYS  22   1.101  -4.011   2.222
  167    H    ASN  23           H        ASN  23   1.151  -4.447   4.366
  168    HA   ASN  23           HA       ASN  23  -0.474  -2.360   5.205
  169    HB2  ASN  23           1HB      ASN  23  -1.554  -3.905   6.561
  170    HB3  ASN  23           2HB      ASN  23  -0.780  -4.952   5.375
  171   HD21  ASN  23          2HD2      ASN  23  -1.465  -4.761   8.495
  172   HD22  ASN  23          1HD2      ASN  23  -0.122  -5.606   9.179
  173    H    TYR  24           H        TYR  24   2.553  -3.499   6.495
  174    HA   TYR  24           HA       TYR  24   2.374  -2.245   9.034
  175    HB2  TYR  24           1HB      TYR  24   3.965  -3.999   8.786
  176    HB3  TYR  24           2HB      TYR  24   4.712  -3.221   7.395
  177    HD1  TYR  24           HD1      TYR  24   4.147  -2.790  11.049
  178    HD2  TYR  24           HD2      TYR  24   6.566  -1.831   7.683
  179    HE1  TYR  24           HE1      TYR  24   5.782  -1.714  12.538
  180    HE2  TYR  24           HE2      TYR  24   8.209  -0.753   9.162
  181    HH   TYR  24           HH       TYR  24   7.782  -0.746  12.684
  182    H    ASP  25           H        ASP  25   3.987  -1.299   6.007
  183    HA   ASP  25           HA       ASP  25   4.877   1.214   6.983
  184    HB2  ASP  25           1HB      ASP  25   4.547   0.109   4.194
  185    HB3  ASP  25           2HB      ASP  25   5.185   1.720   4.509
  186    H    CYS  26           H        CYS  26   1.914   0.093   5.556
  187    HA   CYS  26           HA       CYS  26   0.919   2.711   4.911
  188    HB2  CYS  26           1HB      CYS  26  -0.306  -0.039   4.966
  189    HB3  CYS  26           2HB      CYS  26  -1.284   1.396   4.680
  190    H    LYS  27           H        LYS  27   0.102   0.271   7.374
  191    HA   LYS  27           HA       LYS  27  -1.707   1.951   8.775
  192    HB2  LYS  27           1HB      LYS  27  -0.216  -0.503   9.726
  193    HB3  LYS  27           2HB      LYS  27  -1.576   0.245  10.554
  194    HG2  LYS  27           1HG      LYS  27  -3.104  -0.510   9.021
  195    HG3  LYS  27           2HG      LYS  27  -1.911  -0.626   7.726
  196    HD2  LYS  27           1HD      LYS  27  -2.336  -2.851   8.266
  197    HD3  LYS  27           2HD      LYS  27  -0.859  -2.491   9.164
  198    HE2  LYS  27           1HE      LYS  27  -2.556  -1.841  11.060
  199    HE3  LYS  27           2HE      LYS  27  -3.644  -2.893  10.156
  200    HZ1  LYS  27           3HZ      LYS  27  -2.460  -4.729  10.688
  201    HZ2  LYS  27           1HZ      LYS  27  -2.038  -3.795  12.035
  202    HZ3  LYS  27           2HZ      LYS  27  -0.974  -3.921  10.725
  203    H    LEU  28           H        LEU  28   1.654   1.945   8.573
  204    HA   LEU  28           HA       LEU  28   2.204   2.872  11.241
  205    HB2  LEU  28           1HB      LEU  28   3.937   1.682  10.141
  206    HB3  LEU  28           2HB      LEU  28   3.841   2.723   8.722
  207    HG   LEU  28           HG       LEU  28   4.564   4.052  11.259
  208   HD11  LEU  28          1HD1      LEU  28   6.712   2.529   9.851
  209   HD12  LEU  28          2HD1      LEU  28   5.764   1.750  11.116
  210   HD13  LEU  28          3HD1      LEU  28   6.695   3.202  11.481
  211   HD21  LEU  28          3HD2      LEU  28   6.381   4.633   9.240
  212   HD22  LEU  28          1HD2      LEU  28   4.982   5.595   9.713
  213   HD23  LEU  28          2HD2      LEU  28   4.842   4.422   8.404
  214    H    ASP  29           H        ASP  29   2.584   4.423   8.047
  215    HA   ASP  29           HA       ASP  29   2.392   7.039   9.329
  216    HB2  ASP  29           1HB      ASP  29   3.412   6.030   6.720
  217    HB3  ASP  29           2HB      ASP  29   2.803   7.682   6.771
  218    H    LYS  30           H        LYS  30   0.887   5.273   6.629
  219    HA   LYS  30           HA       LYS  30  -1.145   7.217   6.203
  220    HB2  LYS  30           1HB      LYS  30  -0.407   4.601   5.113
  221    HB3  LYS  30           2HB      LYS  30  -2.144   4.870   5.158
  222    HG2  LYS  30           1HG      LYS  30  -0.413   7.021   4.058
  223    HG3  LYS  30           2HG      LYS  30  -0.695   5.576   3.082
  224    HD2  LYS  30           1HD      LYS  30  -2.494   6.767   2.391
  225    HD3  LYS  30           2HD      LYS  30  -3.212   6.084   3.851
  226    HE2  LYS  30           1HE      LYS  30  -1.751   8.487   4.466
  227    HE3  LYS  30           2HE      LYS  30  -2.927   8.792   3.189
  228    HZ1  LYS  30           3HZ      LYS  30  -4.561   8.725   4.663
  229    HZ2  LYS  30           1HZ      LYS  30  -3.413   8.616   5.901
  230    HZ3  LYS  30           2HZ      LYS  30  -4.077   7.210   5.237
  231    H    HIS  31           H        HIS  31  -0.690   4.948   8.626
  232    HA   HIS  31           HA       HIS  31  -2.008   4.059  10.259
  233    HB2  HIS  31           1HB      HIS  31  -2.417   6.680  10.304
  234    HB3  HIS  31           2HB      HIS  31  -4.046   6.198   9.839
  235    HD1  HIS  31           HD1      HIS  31  -1.560   5.029  12.488
  236    HD2  HIS  31           HD2      HIS  31  -5.589   5.937  12.028
  237    HE1  HIS  31           HE1      HIS  31  -2.593   4.672  14.753
  238    H    ALA  32           H        ALA  32  -2.562   3.349   7.411
  239    HA   ALA  32           HA       ALA  32  -5.315   3.028   6.974
  240    HB1  ALA  32           3HB      ALA  32  -4.664   2.114   5.047
  241    HB2  ALA  32           1HB      ALA  32  -3.016   2.480   5.560
  242    HB3  ALA  32           2HB      ALA  32  -3.700   0.882   5.861
  243    H    ARG  33           H        ARG  33  -5.656   0.309   6.438
  244    HA   ARG  33           HA       ARG  33  -5.407  -0.979   9.066
  245    HB2  ARG  33           1HB      ARG  33  -7.724   0.128   8.482
  246    HB3  ARG  33           2HB      ARG  33  -7.933  -1.317   7.502
  247    HG2  ARG  33           1HG      ARG  33  -7.306  -2.593   9.654
  248    HG3  ARG  33           2HG      ARG  33  -7.679  -1.073  10.470
  249    HD2  ARG  33           1HD      ARG  33  -9.919  -1.104   9.695
  250    HD3  ARG  33           2HD      ARG  33  -9.580  -2.409   8.559
  251    HE   ARG  33           HE       ARG  33 -10.179  -2.659  11.356
  252   HH11  ARG  33          1HH1      ARG  33  -8.612  -4.147   8.628
  253   HH12  ARG  33          2HH1      ARG  33  -8.722  -5.751   9.273
  254   HH21  ARG  33          1HH2      ARG  33 -10.330  -4.766  12.217
  255   HH22  ARG  33          2HH2      ARG  33  -9.700  -6.102  11.315
  256    H    SER  34           H        SER  34  -6.073  -1.338   5.616
  257    HA   SER  34           HA       SER  34  -4.993  -4.075   5.776
  258    HB2  SER  34           1HB      SER  34  -7.221  -3.054   4.001
  259    HB3  SER  34           2HB      SER  34  -6.473  -4.643   3.845
  260    HG   SER  34           HG       SER  34  -8.499  -4.331   5.197
  261    H    GLY  35           H        GLY  35  -3.416  -1.783   5.357
  262    HA2  GLY  35           1HA      GLY  35  -2.926  -0.977   2.774
  263    HA3  GLY  35           2HA      GLY  35  -1.674  -1.151   3.996
  264    H    GLU  36           H        GLU  36  -2.440  -2.002   0.961
  265    HA   GLU  36           HA       GLU  36  -0.555  -4.202   0.977
  266    HB2  GLU  36           1HB      GLU  36  -3.040  -5.024   1.292
  267    HB3  GLU  36           2HB      GLU  36  -3.132  -4.737  -0.440
  268    HG2  GLU  36           1HG      GLU  36  -2.600  -7.067   0.115
  269    HG3  GLU  36           2HG      GLU  36  -1.343  -6.290  -0.845
  270    H    CYS  37           H        CYS  37  -0.031  -4.914  -1.275
  271    HA   CYS  37           HA       CYS  37  -0.103  -2.584  -3.060
  272    HB2  CYS  37           1HB      CYS  37   1.909  -3.389  -4.048
  273    HB3  CYS  37           2HB      CYS  37   2.116  -3.543  -2.307
  274    H    PHE  38           H        PHE  38  -0.462  -2.874  -5.315
  275    HA   PHE  38           HA       PHE  38  -1.299  -5.376  -6.394
  276    HB2  PHE  38           1HB      PHE  38  -3.261  -4.307  -4.915
  277    HB3  PHE  38           2HB      PHE  38  -3.555  -3.443  -6.420
  278    HD1  PHE  38           HD2      PHE  38  -2.747  -6.938  -5.377
  279    HD2  PHE  38           HD1      PHE  38  -5.136  -4.367  -7.785
  280    HE1  PHE  38           HE2      PHE  38  -3.957  -8.892  -6.255
  281    HE2  PHE  38           HE1      PHE  38  -6.350  -6.318  -8.668
  282    HZ   PHE  38           HZ       PHE  38  -5.760  -8.584  -7.904
  283    H    TYR  39           H        TYR  39  -2.040  -5.168  -8.652
  284    HA   TYR  39           HA       TYR  39  -0.391  -3.441 -10.120
  285    HB2  TYR  39           1HB      TYR  39  -2.672  -5.251 -10.799
  286    HB3  TYR  39           2HB      TYR  39  -2.090  -4.127 -12.020
  287    HD1  TYR  39           HD1      TYR  39   0.301  -4.263 -12.767
  288    HD2  TYR  39           HD2      TYR  39  -1.471  -7.227 -10.281
  289    HE1  TYR  39           HE1      TYR  39   2.109  -5.825 -13.351
  290    HE2  TYR  39           HE2      TYR  39   0.332  -8.796 -10.858
  291    HH   TYR  39           HH       TYR  39   2.174  -8.653 -13.333
  292    H    ASP  40           H        ASP  40  -0.680  -1.475 -11.019
  293    HA   ASP  40           HA       ASP  40  -3.150  -0.052 -10.327
  294    HB2  ASP  40           1HB      ASP  40  -1.757   1.996 -10.914
  295    HB3  ASP  40           2HB      ASP  40  -1.255   1.097  -9.486
  296    H    GLU  41           H        GLU  41  -3.337   1.937 -12.053
  297    HA   GLU  41           HA       GLU  41  -4.393   0.739 -14.379
  298    HB2  GLU  41           1HB      GLU  41  -4.927   2.951 -15.104
  299    HB3  GLU  41           2HB      GLU  41  -5.153   2.903 -13.361
  300    HG2  GLU  41           1HG      GLU  41  -4.040   4.869 -13.540
  301    HG3  GLU  41           2HG      GLU  41  -2.667   3.778 -13.362
  302    H    LYS  42           H        LYS  42  -1.241   1.820 -13.578
  303    HA   LYS  42           HA       LYS  42  -0.407   2.003 -16.371
  304    HB2  LYS  42           1HB      LYS  42   1.149   2.445 -13.816
  305    HB3  LYS  42           2HB      LYS  42   1.771   2.704 -15.440
  306    HG2  LYS  42           1HG      LYS  42  -0.101   4.373 -15.751
  307    HG3  LYS  42           2HG      LYS  42  -0.381   4.239 -14.014
  308    HD2  LYS  42           1HD      LYS  42   2.338   4.870 -15.123
  309    HD3  LYS  42           2HD      LYS  42   1.136   6.134 -14.849
  310    HE2  LYS  42           1HE      LYS  42   0.962   5.348 -12.486
  311    HE3  LYS  42           2HE      LYS  42   2.306   4.253 -12.804
  312    HZ1  LYS  42           3HZ      LYS  42   3.609   5.936 -12.212
  313    HZ2  LYS  42           1HZ      LYS  42   2.343   7.057 -12.258
  314    HZ3  LYS  42           2HZ      LYS  42   3.194   6.684 -13.671
  315    H    ARG  43           H        ARG  43  -1.193  -0.523 -14.839
  316    HA   ARG  43           HA       ARG  43  -0.557  -2.704 -14.727
  317    HB2  ARG  43           1HB      ARG  43   1.124  -1.714 -17.020
  318    HB3  ARG  43           2HB      ARG  43   1.160  -3.394 -16.505
  319    HG2  ARG  43           1HG      ARG  43  -0.416  -3.528 -18.136
  320    HG3  ARG  43           2HG      ARG  43  -1.456  -3.164 -16.757
  321    HD2  ARG  43           1HD      ARG  43  -1.344  -0.767 -17.360
  322    HD3  ARG  43           2HD      ARG  43  -0.397  -1.197 -18.783
  323    HE   ARG  43           HE       ARG  43  -2.901  -2.585 -18.635
  324   HH11  ARG  43          1HH1      ARG  43  -1.345   0.372 -19.611
  325   HH12  ARG  43          2HH1      ARG  43  -2.547   0.767 -20.793
  326   HH21  ARG  43          1HH2      ARG  43  -4.490  -2.075 -20.189
  327   HH22  ARG  43          2HH2      ARG  43  -4.337  -0.625 -21.121
  328    H    ASN  44           H        ASN  44   0.892  -0.644 -13.126
  329    HA   ASN  44           HA       ASN  44   3.439  -2.059 -12.715
  330    HB2  ASN  44           1HB      ASN  44   2.590   0.778 -12.322
  331    HB3  ASN  44           2HB      ASN  44   3.843   0.125 -11.271
  332   HD21  ASN  44          2HD2      ASN  44   3.853   2.167 -13.452
  333   HD22  ASN  44          1HD2      ASN  44   5.118   1.665 -14.515
  334    H    LEU  45           H        LEU  45   4.162  -2.330 -10.484
  335    HA   LEU  45           HA       LEU  45   1.897  -2.957  -8.728
  336    HB2  LEU  45           1HB      LEU  45   4.753  -3.852  -8.418
  337    HB3  LEU  45           2HB      LEU  45   3.326  -4.501  -7.612
  338    HG   LEU  45           HG       LEU  45   3.581  -4.683 -10.589
  339   HD11  LEU  45          1HD1      LEU  45   5.673  -5.570  -9.822
  340   HD12  LEU  45          2HD1      LEU  45   4.621  -6.914 -10.268
  341   HD13  LEU  45          3HD1      LEU  45   4.867  -6.512  -8.569
  342   HD21  LEU  45          3HD2      LEU  45   1.508  -5.444 -10.044
  343   HD22  LEU  45          1HD2      LEU  45   1.994  -5.944  -8.423
  344   HD23  LEU  45          2HD2      LEU  45   2.415  -6.940  -9.816
  345    H    GLN  46           H        GLN  46   1.454  -1.559  -7.169
  346    HA   GLN  46           HA       GLN  46   3.677  -0.201  -5.812
  347    HB2  GLN  46           1HB      GLN  46   1.060   1.131  -6.519
  348    HB3  GLN  46           2HB      GLN  46   2.449   1.878  -5.743
  349    HG2  GLN  46           1HG      GLN  46   3.719   1.821  -7.712
  350    HG3  GLN  46           2HG      GLN  46   2.620   0.682  -8.486
  351   HE21  GLN  46          2HE2      GLN  46   3.566   3.291  -9.393
  352   HE22  GLN  46          1HE2      GLN  46   2.151   4.245  -9.661
  353    H    CYS  47           H        CYS  47   3.124   0.595  -3.653
  354    HA   CYS  47           HA       CYS  47   1.340  -1.285  -2.310
  355    HB2  CYS  47           1HB      CYS  47   3.720  -0.872  -1.544
  356    HB3  CYS  47           2HB      CYS  47   3.191   0.727  -1.029
  357    H    ILE  48           H        ILE  48  -0.712  -0.668  -2.143
  358    HA   ILE  48           HA       ILE  48  -1.342   2.170  -1.779
  359    HB   ILE  48           HB       ILE  48  -3.224  -0.121  -2.351
  360   HG12  ILE  48          1HG1      ILE  48  -3.228   1.422  -4.590
  361   HG13  ILE  48          2HG1      ILE  48  -1.549   1.584  -4.088
  362   HG21  ILE  48          1HG2      ILE  48  -4.332   1.719  -1.246
  363   HG22  ILE  48          2HG2      ILE  48  -3.632   2.865  -2.387
  364   HG23  ILE  48          3HG2      ILE  48  -4.809   1.675  -2.943
  365   HD11  ILE  48          3HD1      ILE  48  -2.859  -0.602  -5.396
  366   HD12  ILE  48          1HD1      ILE  48  -1.141  -0.339  -5.096
  367   HD13  ILE  48          2HD1      ILE  48  -2.137  -1.138  -3.879
  368    H    CYS  49           H        CYS  49  -2.599   2.921  -0.077
  369    HA   CYS  49           HA       CYS  49  -2.906   1.051   2.181
  370    HB2  CYS  49           1HB      CYS  49  -2.489   4.023   2.464
  371    HB3  CYS  49           2HB      CYS  49  -2.345   2.782   3.705
  372    H    ASP  50           H        ASP  50  -4.873   0.856   3.056
  373    HA   ASP  50           HA       ASP  50  -6.951   2.754   2.184
  374    HB2  ASP  50           1HB      ASP  50  -7.135  -0.195   2.809
  375    HB3  ASP  50           2HB      ASP  50  -8.546   0.839   2.609
  376    H    TYR  51           H        TYR  51  -7.622   4.058   3.742
  377    HA   TYR  51           HA       TYR  51  -7.547   3.089   6.523
  378    HB2  TYR  51           1HB      TYR  51  -6.038   4.985   6.094
  379    HB3  TYR  51           2HB      TYR  51  -7.398   5.936   5.509
  380    HD1  TYR  51           HD2      TYR  51  -7.170   3.710   8.489
  381    HD2  TYR  51           HD1      TYR  51  -7.619   7.682   7.032
  382    HE1  TYR  51           HE2      TYR  51  -7.600   4.494  10.780
  383    HE2  TYR  51           HE1      TYR  51  -8.049   8.478   9.320
  384    HH   TYR  51           HH       TYR  51  -7.847   7.903  11.538
  385    H    CYS  52           H        CYS  52  -9.494   2.542   7.228
  386    HA   CYS  52           HA       CYS  52 -11.792   4.216   6.449
  387    HB2  CYS  52           1HB      CYS  52 -11.566   1.705   5.617
  388    HB3  CYS  52           2HB      CYS  52 -12.202   1.363   7.222
  389    H    GLU  53           H        GLU  53 -13.208   4.823   8.032
  390    HA   GLU  53           HA       GLU  53 -12.359   4.251  10.785
  391    HB2  GLU  53           1HB      GLU  53 -13.677   6.571   9.459
  392    HB3  GLU  53           2HB      GLU  53 -14.065   6.260  11.146
  393    HG2  GLU  53           1HG      GLU  53 -11.331   6.758   9.994
  394    HG3  GLU  53           2HG      GLU  53 -12.275   7.862  10.992
  395    H    TYR  54           H        TYR  54 -13.422   2.511  11.521
  396    HA   TYR  54           HA       TYR  54 -16.255   2.172  10.887
  397    HB2  TYR  54           1HB      TYR  54 -14.548   0.282  10.708
  398    HB3  TYR  54           2HB      TYR  54 -14.525   0.273  12.468
  399    HD1  TYR  54           HD2      TYR  54 -16.723  -0.145  13.688
  400    HD2  TYR  54           HD1      TYR  54 -16.212  -0.874   9.527
  401    HE1  TYR  54           HE2      TYR  54 -18.690  -1.622  13.711
  402    HE2  TYR  54           HE1      TYR  54 -18.178  -2.352   9.538
  403    HH   TYR  54           HH       TYR  54 -20.452  -2.370  11.667
  Start of MODEL   10
    1    H1   ASP   2           H        ASP   2 -18.498   4.124   3.334
    2    HA   ASP   2           HA       ASP   2 -16.376   4.057   1.728
    3    HB2  ASP   2           1HB      ASP   2 -18.305   5.865   2.037
    4    HB3  ASP   2           2HB      ASP   2 -16.994   6.780   2.774
    5    H    CYS   3           H        CYS   3 -14.230   4.213   1.824
    6    HA   CYS   3           HA       CYS   3 -13.023   5.421   4.226
    7    HB2  CYS   3           1HB      CYS   3 -11.815   3.095   2.737
    8    HB3  CYS   3           2HB      CYS   3 -11.383   3.711   4.328
    9    H    LYS   4           H        LYS   4 -10.584   5.827   3.807
   10    HA   LYS   4           HA       LYS   4 -10.335   7.097   1.160
   11    HB2  LYS   4           1HB      LYS   4 -10.322   8.861   2.689
   12    HB3  LYS   4           2HB      LYS   4  -9.419   7.944   3.888
   13    HG2  LYS   4           1HG      LYS   4  -7.401   8.388   2.918
   14    HG3  LYS   4           2HG      LYS   4  -8.093   8.570   1.304
   15    HD2  LYS   4           1HD      LYS   4  -8.990  10.725   1.868
   16    HD3  LYS   4           2HD      LYS   4  -8.518  10.530   3.557
   17    HE2  LYS   4           1HE      LYS   4  -6.134  10.368   2.746
   18    HE3  LYS   4           2HE      LYS   4  -6.725  10.867   1.162
   19    HZ1  LYS   4           3HZ      LYS   4  -7.791  12.751   2.710
   20    HZ2  LYS   4           1HZ      LYS   4  -6.278  12.902   1.966
   21    HZ3  LYS   4           2HZ      LYS   4  -6.380  12.424   3.585
   22    H    ARG   5           H        ARG   5  -8.940   6.122  -0.141
   23    HA   ARG   5           HA       ARG   5  -6.571   4.836   1.049
   24    HB2  ARG   5           1HB      ARG   5  -6.660   3.226  -0.858
   25    HB3  ARG   5           2HB      ARG   5  -8.021   3.098   0.249
   26    HG2  ARG   5           1HG      ARG   5  -9.066   2.970  -1.789
   27    HG3  ARG   5           2HG      ARG   5  -9.193   4.694  -1.439
   28    HD2  ARG   5           1HD      ARG   5  -7.640   5.271  -3.024
   29    HD3  ARG   5           2HD      ARG   5  -6.807   3.720  -2.925
   30    HE   ARG   5           HE       ARG   5  -9.001   4.401  -4.646
   31   HH11  ARG   5          1HH1      ARG   5  -7.349   1.802  -3.024
   32   HH12  ARG   5          2HH1      ARG   5  -7.889   0.589  -4.137
   33   HH21  ARG   5          1HH2      ARG   5  -9.718   2.814  -6.119
   34   HH22  ARG   5          2HH2      ARG   5  -9.236   1.166  -5.898
   35    H    LYS   6           H        LYS   6  -4.712   4.667  -0.441
   36    HA   LYS   6           HA       LYS   6  -4.597   6.315  -2.771
   37    HB2  LYS   6           1HB      LYS   6  -4.543   8.109  -1.147
   38    HB3  LYS   6           2HB      LYS   6  -3.268   7.302  -0.243
   39    HG2  LYS   6           1HG      LYS   6  -1.661   7.758  -1.876
   40    HG3  LYS   6           2HG      LYS   6  -2.880   8.133  -3.096
   41    HD2  LYS   6           1HD      LYS   6  -1.964  10.207  -2.407
   42    HD3  LYS   6           2HD      LYS   6  -3.551  10.090  -1.645
   43    HE2  LYS   6           1HE      LYS   6  -2.564   9.466   0.449
   44    HE3  LYS   6           2HE      LYS   6  -0.968   9.340  -0.287
   45    HZ1  LYS   6           3HZ      LYS   6  -2.544  11.846  -0.061
   46    HZ2  LYS   6           1HZ      LYS   6  -0.981  11.703  -0.691
   47    HZ3  LYS   6           2HZ      LYS   6  -1.260  11.411   0.951
   48    H    VAL   7           H        VAL   7  -2.662   6.065  -3.926
   49    HA   VAL   7           HA       VAL   7  -0.987   3.850  -2.965
   50    HB   VAL   7           HB       VAL   7  -2.075   3.408  -5.089
   51   HG11  VAL   7          1HG1      VAL   7  -2.374   4.947  -6.665
   52   HG12  VAL   7          2HG1      VAL   7  -1.630   6.122  -5.578
   53   HG13  VAL   7          3HG1      VAL   7  -0.642   5.265  -6.761
   54   HG21  VAL   7          3HG2      VAL   7   0.296   2.652  -4.621
   55   HG22  VAL   7          1HG2      VAL   7  -0.191   2.677  -6.316
   56   HG23  VAL   7          2HG2      VAL   7   0.824   3.967  -5.669
   57    H    TYR   8           H        TYR   8   1.171   4.070  -2.702
   58    HA   TYR   8           HA       TYR   8   2.329   6.715  -3.297
   59    HB2  TYR   8           1HB      TYR   8   2.174   5.301  -0.845
   60    HB3  TYR   8           2HB      TYR   8   3.863   5.289  -1.339
   61    HD1  TYR   8           HD2      TYR   8   4.588   7.731  -2.357
   62    HD2  TYR   8           HD1      TYR   8   1.591   7.010   0.577
   63    HE1  TYR   8           HE2      TYR   8   4.850  10.033  -1.532
   64    HE2  TYR   8           HE1      TYR   8   1.843   9.310   1.409
   65    HH   TYR   8           HH       TYR   8   4.281  11.498   0.050
   66    H    GLU   9           H        GLU   9   3.058   6.113  -5.358
   67    HA   GLU   9           HA       GLU   9   4.566   3.801  -5.911
   68    HB2  GLU   9           1HB      GLU   9   5.039   4.776  -8.019
   69    HB3  GLU   9           2HB      GLU   9   3.425   5.318  -7.585
   70    HG2  GLU   9           1HG      GLU   9   4.436   7.444  -6.768
   71    HG3  GLU   9           2HG      GLU   9   5.978   6.896  -7.421
   72    H    ASN  10           H        ASN  10   5.377   6.720  -4.324
   73    HA   ASN  10           HA       ASN  10   8.113   6.922  -4.902
   74    HB2  ASN  10           1HB      ASN  10   6.413   8.448  -3.502
   75    HB3  ASN  10           2HB      ASN  10   7.189   7.612  -2.160
   76   HD21  ASN  10          2HD2      ASN  10   7.603   9.851  -4.770
   77   HD22  ASN  10          1HD2      ASN  10   9.156  10.439  -4.293
   78    H    TYR  11           H        TYR  11   6.376   4.633  -3.049
   79    HA   TYR  11           HA       TYR  11   8.597   3.844  -1.385
   80    HB2  TYR  11           1HB      TYR  11   5.781   2.933  -1.766
   81    HB3  TYR  11           2HB      TYR  11   6.928   1.811  -1.041
   82    HD1  TYR  11           HD1      TYR  11   8.569   3.396   0.682
   83    HD2  TYR  11           HD2      TYR  11   4.412   3.805  -0.127
   84    HE1  TYR  11           HE1      TYR  11   8.256   4.481   2.867
   85    HE2  TYR  11           HE2      TYR  11   4.088   4.893   2.054
   86    HH   TYR  11           HH       TYR  11   6.703   5.128   4.396
   87    HA   PRO  12           HA       PRO  12  10.511   0.925  -4.047
   88    HB2  PRO  12           1HB      PRO  12  11.328  -0.954  -2.267
   89    HB3  PRO  12           2HB      PRO  12  12.087   0.637  -2.399
   90    HG2  PRO  12           1HG      PRO  12  10.045  -0.331  -0.435
   91    HG3  PRO  12           2HG      PRO  12  11.490   0.658  -0.152
   92    HD2  PRO  12           1HD      PRO  12   9.006   1.722  -0.319
   93    HD3  PRO  12           2HD      PRO  12  10.456   2.593  -0.855
   94    H    VAL  13           H        VAL  13   9.598  -0.476  -5.399
   95    HA   VAL  13           HA       VAL  13   7.229  -1.907  -4.777
   96    HB   VAL  13           HB       VAL  13   9.083  -2.402  -7.108
   97   HG11  VAL  13          1HG1      VAL  13   6.890  -3.040  -8.201
   98   HG12  VAL  13          2HG1      VAL  13   7.497  -4.148  -6.968
   99   HG13  VAL  13          3HG1      VAL  13   6.189  -3.028  -6.583
  100   HG21  VAL  13          3HG2      VAL  13   7.269  -0.165  -6.504
  101   HG22  VAL  13          1HG2      VAL  13   8.662  -0.240  -7.582
  102   HG23  VAL  13          2HG2      VAL  13   7.100  -0.862  -8.115
  103    H    SER  14           H        SER  14  10.519  -2.578  -4.247
  104    HA   SER  14           HA       SER  14  10.577  -5.374  -4.496
  105    HB2  SER  14           1HB      SER  14  12.148  -3.744  -2.491
  106    HB3  SER  14           2HB      SER  14  12.589  -5.305  -3.184
  107    HG   SER  14           HG       SER  14  13.447  -4.272  -4.787
  108    H    LYS  15           H        LYS  15   9.337  -3.283  -2.004
  109    HA   LYS  15           HA       LYS  15   9.100  -5.351  -0.020
  110    HB2  LYS  15           1HB      LYS  15   7.715  -2.666  -0.086
  111    HB3  LYS  15           2HB      LYS  15   7.970  -3.693   1.319
  112    HG2  LYS  15           1HG      LYS  15  10.126  -2.319  -0.273
  113    HG3  LYS  15           2HG      LYS  15   9.508  -1.806   1.299
  114    HD2  LYS  15           1HD      LYS  15  10.290  -4.573   1.384
  115    HD3  LYS  15           2HD      LYS  15  11.620  -3.578   0.787
  116    HE2  LYS  15           1HE      LYS  15  10.730  -2.069   2.856
  117    HE3  LYS  15           2HE      LYS  15  10.382  -3.692   3.453
  118    HZ1  LYS  15           3HZ      LYS  15  12.528  -3.361   4.161
  119    HZ2  LYS  15           1HZ      LYS  15  12.977  -2.477   2.790
  120    HZ3  LYS  15           2HZ      LYS  15  12.796  -4.156   2.692
  121    H    CYS  16           H        CYS  16   7.273  -4.321  -2.716
  122    HA   CYS  16           HA       CYS  16   4.656  -4.817  -2.011
  123    HB2  CYS  16           1HB      CYS  16   5.292  -3.935  -4.199
  124    HB3  CYS  16           2HB      CYS  16   6.024  -5.479  -4.626
  125    H    GLN  17           H        GLN  17   7.197  -7.118  -2.800
  126    HA   GLN  17           HA       GLN  17   5.661  -9.428  -3.061
  127    HB2  GLN  17           1HB      GLN  17   8.423  -9.243  -1.850
  128    HB3  GLN  17           2HB      GLN  17   7.692 -10.663  -2.586
  129    HG2  GLN  17           1HG      GLN  17   8.573  -8.132  -3.941
  130    HG3  GLN  17           2HG      GLN  17   9.219  -9.759  -4.151
  131   HE21  GLN  17          2HE2      GLN  17   7.667  -7.578  -5.791
  132   HE22  GLN  17          1HE2      GLN  17   6.552  -8.534  -6.699
  133    H    LEU  18           H        LEU  18   6.734  -7.712  -0.209
  134    HA   LEU  18           HA       LEU  18   5.946  -9.814   1.602
  135    HB2  LEU  18           1HB      LEU  18   7.035  -7.051   1.888
  136    HB3  LEU  18           2HB      LEU  18   6.280  -7.830   3.277
  137    HG   LEU  18           HG       LEU  18   8.833  -7.962   3.030
  138   HD11  LEU  18          1HD1      LEU  18   8.275 -10.693   3.423
  139   HD12  LEU  18          2HD1      LEU  18   6.880  -9.795   4.018
  140   HD13  LEU  18          3HD1      LEU  18   8.489  -9.439   4.644
  141   HD21  LEU  18          3HD2      LEU  18   8.819  -8.599   0.651
  142   HD22  LEU  18          1HD2      LEU  18   8.044 -10.124   1.081
  143   HD23  LEU  18          2HD2      LEU  18   9.674  -9.769   1.657
  144    H    ALA  19           H        ALA  19   4.061 -10.021   2.667
  145    HA   ALA  19           HA       ALA  19   1.891  -8.225   1.914
  146    HB1  ALA  19           3HB      ALA  19   0.683 -10.106   3.418
  147    HB2  ALA  19           1HB      ALA  19   0.990 -10.278   1.689
  148    HB3  ALA  19           2HB      ALA  19   2.091 -11.007   2.858
  149    H    ASN  20           H        ASN  20   3.803  -9.118   4.687
  150    HA   ASN  20           HA       ASN  20   2.066  -7.681   6.526
  151    HB2  ASN  20           1HB      ASN  20   3.546  -8.475   8.273
  152    HB3  ASN  20           2HB      ASN  20   3.143  -9.818   7.207
  153   HD21  ASN  20          2HD2      ASN  20   5.388  -9.593   8.974
  154   HD22  ASN  20          1HD2      ASN  20   6.811  -9.685   7.997
  155    H    GLN  21           H        GLN  21   4.787  -7.087   4.563
  156    HA   GLN  21           HA       GLN  21   5.925  -4.981   6.148
  157    HB2  GLN  21           1HB      GLN  21   7.215  -6.352   4.495
  158    HB3  GLN  21           2HB      GLN  21   6.335  -5.540   3.207
  159    HG2  GLN  21           1HG      GLN  21   8.248  -4.300   3.268
  160    HG3  GLN  21           2HG      GLN  21   7.223  -3.376   4.366
  161   HE21  GLN  21          2HE2      GLN  21   8.835  -2.504   5.581
  162   HE22  GLN  21          1HE2      GLN  21   9.872  -3.431   6.606
  163    H    CYS  22           H        CYS  22   3.843  -5.154   3.285
  164    HA   CYS  22           HA       CYS  22   3.676  -2.403   2.775
  165    HB2  CYS  22           1HB      CYS  22   2.376  -4.811   1.861
  166    HB3  CYS  22           2HB      CYS  22   1.190  -3.527   2.077
  167    H    ASN  23           H        ASN  23   1.197  -4.440   4.342
  168    HA   ASN  23           HA       ASN  23  -0.426  -2.387   5.249
  169    HB2  ASN  23           1HB      ASN  23  -1.558  -3.988   6.476
  170    HB3  ASN  23           2HB      ASN  23  -0.720  -4.998   5.301
  171   HD21  ASN  23          2HD2      ASN  23  -1.435  -4.645   8.485
  172   HD22  ASN  23          1HD2      ASN  23  -0.171  -5.600   9.173
  173    H    TYR  24           H        TYR  24   2.580  -3.571   6.526
  174    HA   TYR  24           HA       TYR  24   2.354  -2.458   9.128
  175    HB2  TYR  24           1HB      TYR  24   3.960  -4.185   8.817
  176    HB3  TYR  24           2HB      TYR  24   4.719  -3.336   7.474
  177    HD1  TYR  24           HD1      TYR  24   3.818  -2.383  10.980
  178    HD2  TYR  24           HD2      TYR  24   6.852  -2.657   8.009
  179    HE1  TYR  24           HE1      TYR  24   5.427  -1.370  12.539
  180    HE2  TYR  24           HE2      TYR  24   8.470  -1.644   9.561
  181    HH   TYR  24           HH       TYR  24   8.838  -1.150  11.773
  182    H    ASP  25           H        ASP  25   3.990  -1.340   6.174
  183    HA   ASP  25           HA       ASP  25   4.854   1.122   7.296
  184    HB2  ASP  25           1HB      ASP  25   5.737  -0.113   5.202
  185    HB3  ASP  25           2HB      ASP  25   4.415   0.683   4.354
  186    H    CYS  26           H        CYS  26   1.941   0.076   5.685
  187    HA   CYS  26           HA       CYS  26   0.932   2.717   5.207
  188    HB2  CYS  26           1HB      CYS  26  -0.322  -0.025   5.106
  189    HB3  CYS  26           2HB      CYS  26  -1.239   1.446   4.795
  190    H    LYS  27           H        LYS  27   0.049   0.120   7.482
  191    HA   LYS  27           HA       LYS  27  -1.796   1.694   8.944
  192    HB2  LYS  27           1HB      LYS  27  -0.318  -0.843   9.649
  193    HB3  LYS  27           2HB      LYS  27  -1.547  -0.121  10.678
  194    HG2  LYS  27           1HG      LYS  27  -2.854  -0.257   8.299
  195    HG3  LYS  27           2HG      LYS  27  -1.826  -1.691   8.225
  196    HD2  LYS  27           1HD      LYS  27  -3.730  -0.982  10.457
  197    HD3  LYS  27           2HD      LYS  27  -3.993  -2.214   9.221
  198    HE2  LYS  27           1HE      LYS  27  -1.638  -3.055  10.147
  199    HE3  LYS  27           2HE      LYS  27  -2.222  -2.243  11.599
  200    HZ1  LYS  27           3HZ      LYS  27  -2.781  -4.741  11.130
  201    HZ2  LYS  27           1HZ      LYS  27  -4.034  -4.075  10.209
  202    HZ3  LYS  27           2HZ      LYS  27  -3.917  -3.721  11.858
  203    H    LEU  28           H        LEU  28   1.560   1.768   8.810
  204    HA   LEU  28           HA       LEU  28   2.050   2.522  11.542
  205    HB2  LEU  28           1HB      LEU  28   3.848   1.473  10.450
  206    HB3  LEU  28           2HB      LEU  28   3.707   2.520   9.040
  207    HG   LEU  28           HG       LEU  28   4.356   3.914  11.543
  208   HD11  LEU  28          1HD1      LEU  28   6.198   1.850  10.366
  209   HD12  LEU  28          2HD1      LEU  28   5.683   2.030  12.044
  210   HD13  LEU  28          3HD1      LEU  28   6.776   3.213  11.326
  211   HD21  LEU  28          3HD2      LEU  28   5.050   4.003   8.657
  212   HD22  LEU  28          1HD2      LEU  28   6.205   4.677   9.806
  213   HD23  LEU  28          2HD2      LEU  28   4.555   5.300   9.746
  214    H    ASP  29           H        ASP  29   2.437   4.298   8.470
  215    HA   ASP  29           HA       ASP  29   2.151   6.813   9.928
  216    HB2  ASP  29           1HB      ASP  29   3.440   5.970   7.438
  217    HB3  ASP  29           2HB      ASP  29   2.545   7.478   7.281
  218    H    LYS  30           H        LYS  30   0.778   5.226   7.051
  219    HA   LYS  30           HA       LYS  30  -1.307   7.139   6.731
  220    HB2  LYS  30           1HB      LYS  30  -1.387   4.324   5.673
  221    HB3  LYS  30           2HB      LYS  30  -2.098   5.774   4.975
  222    HG2  LYS  30           1HG      LYS  30   0.826   5.076   5.113
  223    HG3  LYS  30           2HG      LYS  30  -0.194   5.130   3.674
  224    HD2  LYS  30           1HD      LYS  30   0.501   7.483   5.434
  225    HD3  LYS  30           2HD      LYS  30   1.217   7.127   3.861
  226    HE2  LYS  30           1HE      LYS  30  -1.213   7.170   2.997
  227    HE3  LYS  30           2HE      LYS  30  -1.578   7.997   4.510
  228    HZ1  LYS  30           3HZ      LYS  30   0.095   8.906   2.262
  229    HZ2  LYS  30           1HZ      LYS  30   0.354   9.527   3.816
  230    HZ3  LYS  30           2HZ      LYS  30  -1.149   9.725   3.065
  231    H    HIS  31           H        HIS  31  -0.844   4.681   8.959
  232    HA   HIS  31           HA       HIS  31  -2.183   3.581  10.442
  233    HB2  HIS  31           1HB      HIS  31  -3.803   6.102  10.039
  234    HB3  HIS  31           2HB      HIS  31  -4.090   4.935  11.325
  235    HD1  HIS  31           HD1      HIS  31  -2.118   7.885  10.493
  236    HD2  HIS  31           HD2      HIS  31  -1.853   4.735  13.190
  237    HE1  HIS  31           HE1      HIS  31  -0.457   8.625  12.230
  238    H    ALA  32           H        ALA  32  -2.626   3.064   7.581
  239    HA   ALA  32           HA       ALA  32  -5.349   2.817   6.961
  240    HB1  ALA  32           3HB      ALA  32  -3.751   0.686   5.826
  241    HB2  ALA  32           1HB      ALA  32  -4.573   2.028   5.030
  242    HB3  ALA  32           2HB      ALA  32  -2.953   2.252   5.690
  243    H    ARG  33           H        ARG  33  -5.768   0.169   6.280
  244    HA   ARG  33           HA       ARG  33  -5.697  -1.260   8.849
  245    HB2  ARG  33           1HB      ARG  33  -8.108  -1.302   7.043
  246    HB3  ARG  33           2HB      ARG  33  -7.981  -1.868   8.703
  247    HG2  ARG  33           1HG      ARG  33  -7.772   1.014   7.862
  248    HG3  ARG  33           2HG      ARG  33  -9.240   0.244   8.467
  249    HD2  ARG  33           1HD      ARG  33  -6.763   0.017  10.094
  250    HD3  ARG  33           2HD      ARG  33  -7.592   1.572  10.062
  251    HE   ARG  33           HE       ARG  33  -9.317  -0.664  10.614
  252   HH11  ARG  33          1HH1      ARG  33  -7.182   1.724  11.976
  253   HH12  ARG  33          2HH1      ARG  33  -7.903   1.662  13.550
  254   HH21  ARG  33          1HH2      ARG  33 -10.276  -0.756  12.682
  255   HH22  ARG  33          2HH2      ARG  33  -9.662   0.250  13.950
  256    H    SER  34           H        SER  34  -6.116  -1.445   5.346
  257    HA   SER  34           HA       SER  34  -5.083  -4.202   5.451
  258    HB2  SER  34           1HB      SER  34  -7.582  -3.856   4.794
  259    HB3  SER  34           2HB      SER  34  -6.925  -3.285   3.260
  260    HG   SER  34           HG       SER  34  -7.201  -5.439   2.994
  261    H    GLY  35           H        GLY  35  -3.481  -1.896   5.216
  262    HA2  GLY  35           1HA      GLY  35  -2.840  -1.009   2.688
  263    HA3  GLY  35           2HA      GLY  35  -1.667  -1.207   3.981
  264    H    GLU  36           H        GLU  36  -2.407  -2.086   0.889
  265    HA   GLU  36           HA       GLU  36  -0.402  -4.180   0.917
  266    HB2  GLU  36           1HB      GLU  36  -2.918  -5.059   1.207
  267    HB3  GLU  36           2HB      GLU  36  -2.879  -4.920  -0.545
  268    HG2  GLU  36           1HG      GLU  36  -2.304  -7.168   0.219
  269    HG3  GLU  36           2HG      GLU  36  -0.979  -6.406  -0.659
  270    H    CYS  37           H        CYS  37   0.123  -4.902  -1.339
  271    HA   CYS  37           HA       CYS  37  -0.065  -2.593  -3.144
  272    HB2  CYS  37           1HB      CYS  37   1.975  -3.297  -4.130
  273    HB3  CYS  37           2HB      CYS  37   2.199  -3.471  -2.393
  274    H    PHE  38           H        PHE  38  -0.446  -2.915  -5.387
  275    HA   PHE  38           HA       PHE  38  -1.178  -5.465  -6.438
  276    HB2  PHE  38           1HB      PHE  38  -3.271  -3.710  -5.314
  277    HB3  PHE  38           2HB      PHE  38  -3.600  -4.337  -6.925
  278    HD1  PHE  38           HD1      PHE  38  -2.771  -6.985  -7.039
  279    HD2  PHE  38           HD2      PHE  38  -4.304  -4.899  -3.661
  280    HE1  PHE  38           HE1      PHE  38  -3.504  -9.118  -6.059
  281    HE2  PHE  38           HE2      PHE  38  -5.039  -7.029  -2.674
  282    HZ   PHE  38           HZ       PHE  38  -4.639  -9.143  -3.873
  283    H    TYR  39           H        TYR  39  -1.727  -5.381  -8.689
  284    HA   TYR  39           HA       TYR  39  -0.267  -3.501 -10.149
  285    HB2  TYR  39           1HB      TYR  39  -1.380  -4.456 -12.139
  286    HB3  TYR  39           2HB      TYR  39  -0.789  -5.703 -11.047
  287    HD1  TYR  39           HD2      TYR  39  -3.826  -3.941 -12.207
  288    HD2  TYR  39           HD1      TYR  39  -2.273  -7.262 -10.046
  289    HE1  TYR  39           HE2      TYR  39  -6.070  -4.944 -12.147
  290    HE2  TYR  39           HE1      TYR  39  -4.513  -8.275  -9.982
  291    HH   TYR  39           HH       TYR  39  -7.173  -6.971 -11.809
  292    H    ASP  40           H        ASP  40  -0.829  -1.712 -11.354
  293    HA   ASP  40           HA       ASP  40  -3.424  -0.510 -10.667
  294    HB2  ASP  40           1HB      ASP  40  -2.272   1.649 -11.364
  295    HB3  ASP  40           2HB      ASP  40  -1.674   0.891  -9.891
  296    H    GLU  41           H        GLU  41  -3.829   1.346 -12.501
  297    HA   GLU  41           HA       GLU  41  -4.716  -0.096 -14.759
  298    HB2  GLU  41           1HB      GLU  41  -5.466   2.025 -15.625
  299    HB3  GLU  41           2HB      GLU  41  -5.790   1.970 -13.897
  300    HG2  GLU  41           1HG      GLU  41  -3.760   3.306 -13.501
  301    HG3  GLU  41           2HG      GLU  41  -3.518   3.413 -15.244
  302    H    LYS  42           H        LYS  42  -1.724   1.387 -14.009
  303    HA   LYS  42           HA       LYS  42  -0.902   1.537 -16.808
  304    HB2  LYS  42           1HB      LYS  42   0.703   2.230 -14.344
  305    HB3  LYS  42           2HB      LYS  42   1.077   2.659 -16.008
  306    HG2  LYS  42           1HG      LYS  42  -1.340   3.627 -14.497
  307    HG3  LYS  42           2HG      LYS  42   0.164   4.532 -14.680
  308    HD2  LYS  42           1HD      LYS  42  -0.118   4.543 -17.099
  309    HD3  LYS  42           2HD      LYS  42  -1.593   3.583 -16.945
  310    HE2  LYS  42           1HE      LYS  42  -2.725   5.362 -15.839
  311    HE3  LYS  42           2HE      LYS  42  -1.233   6.285 -15.664
  312    HZ1  LYS  42           3HZ      LYS  42  -3.066   6.319 -17.789
  313    HZ2  LYS  42           1HZ      LYS  42  -1.585   5.750 -18.377
  314    HZ3  LYS  42           2HZ      LYS  42  -1.665   7.247 -17.592
  315    H    ARG  43           H        ARG  43  -1.406  -1.001 -15.252
  316    HA   ARG  43           HA       ARG  43  -0.493  -3.071 -14.987
  317    HB2  ARG  43           1HB      ARG  43   1.083  -2.006 -17.323
  318    HB3  ARG  43           2HB      ARG  43   1.278  -3.651 -16.736
  319    HG2  ARG  43           1HG      ARG  43  -0.278  -4.054 -18.320
  320    HG3  ARG  43           2HG      ARG  43  -1.373  -3.625 -17.004
  321    HD2  ARG  43           1HD      ARG  43  -2.068  -2.429 -18.948
  322    HD3  ARG  43           2HD      ARG  43  -1.329  -1.273 -17.841
  323    HE   ARG  43           HE       ARG  43   0.287  -0.874 -19.405
  324   HH11  ARG  43          1HH1      ARG  43  -1.320  -3.862 -20.181
  325   HH12  ARG  43          2HH1      ARG  43  -0.515  -4.052 -21.703
  326   HH21  ARG  43          1HH2      ARG  43   1.354  -1.111 -21.407
  327   HH22  ARG  43          2HH2      ARG  43   1.008  -2.487 -22.399
  328    H    ASN  44           H        ASN  44   0.632  -0.861 -13.411
  329    HA   ASN  44           HA       ASN  44   3.356  -1.892 -12.975
  330    HB2  ASN  44           1HB      ASN  44   2.145   0.827 -12.656
  331    HB3  ASN  44           2HB      ASN  44   3.500   0.370 -11.627
  332   HD21  ASN  44          2HD2      ASN  44   3.789   2.456 -13.302
  333   HD22  ASN  44          1HD2      ASN  44   4.848   2.047 -14.604
  334    H    LEU  45           H        LEU  45   4.074  -2.192 -10.809
  335    HA   LEU  45           HA       LEU  45   1.887  -2.889  -8.987
  336    HB2  LEU  45           1HB      LEU  45   4.759  -3.620  -8.569
  337    HB3  LEU  45           2HB      LEU  45   3.311  -4.431  -7.978
  338    HG   LEU  45           HG       LEU  45   4.210  -4.409 -10.857
  339   HD11  LEU  45          1HD1      LEU  45   5.598  -5.657  -9.007
  340   HD12  LEU  45          2HD1      LEU  45   5.248  -6.422 -10.557
  341   HD13  LEU  45          3HD1      LEU  45   4.290  -6.833  -9.135
  342   HD21  LEU  45          3HD2      LEU  45   1.936  -4.796 -10.941
  343   HD22  LEU  45          1HD2      LEU  45   1.912  -5.625  -9.385
  344   HD23  LEU  45          2HD2      LEU  45   2.577  -6.434 -10.804
  345    H    GLN  46           H        GLN  46   1.497  -1.734  -7.217
  346    HA   GLN  46           HA       GLN  46   3.646  -0.201  -5.972
  347    HB2  GLN  46           1HB      GLN  46   1.004   1.111  -6.595
  348    HB3  GLN  46           2HB      GLN  46   2.465   1.866  -5.972
  349    HG2  GLN  46           1HG      GLN  46   3.585   1.559  -8.071
  350    HG3  GLN  46           2HG      GLN  46   2.226   0.631  -8.705
  351   HE21  GLN  46          2HE2      GLN  46   3.640   3.360  -9.226
  352   HE22  GLN  46          1HE2      GLN  46   2.307   4.426  -9.492
  353    H    CYS  47           H        CYS  47   3.118   0.535  -3.809
  354    HA   CYS  47           HA       CYS  47   1.320  -1.340  -2.481
  355    HB2  CYS  47           1HB      CYS  47   3.713  -0.956  -1.725
  356    HB3  CYS  47           2HB      CYS  47   3.195   0.636  -1.179
  357    H    ILE  48           H        ILE  48  -0.722  -0.710  -2.269
  358    HA   ILE  48           HA       ILE  48  -1.308   2.133  -1.841
  359    HB   ILE  48           HB       ILE  48  -3.234  -0.092  -2.514
  360   HG12  ILE  48          1HG1      ILE  48  -3.141   1.538  -4.705
  361   HG13  ILE  48          2HG1      ILE  48  -1.462   1.573  -4.176
  362   HG21  ILE  48          1HG2      ILE  48  -3.554   2.904  -2.474
  363   HG22  ILE  48          2HG2      ILE  48  -4.753   1.769  -3.091
  364   HG23  ILE  48          3HG2      ILE  48  -4.314   1.746  -1.383
  365   HD11  ILE  48          3HD1      ILE  48  -2.264  -1.113  -4.079
  366   HD12  ILE  48          1HD1      ILE  48  -2.870  -0.461  -5.601
  367   HD13  ILE  48          2HD1      ILE  48  -1.152  -0.350  -5.215
  368    H    CYS  49           H        CYS  49  -2.594   2.838  -0.133
  369    HA   CYS  49           HA       CYS  49  -2.947   0.892   2.052
  370    HB2  CYS  49           1HB      CYS  49  -2.505   3.851   2.434
  371    HB3  CYS  49           2HB      CYS  49  -2.409   2.575   3.643
  372    H    ASP  50           H        ASP  50  -4.835   0.950   3.235
  373    HA   ASP  50           HA       ASP  50  -6.937   2.752   2.223
  374    HB2  ASP  50           1HB      ASP  50  -6.939   0.081   1.809
  375    HB3  ASP  50           2HB      ASP  50  -7.764   0.146   3.364
  376    H    TYR  51           H        TYR  51  -7.542   4.144   3.732
  377    HA   TYR  51           HA       TYR  51  -7.390   3.325   6.555
  378    HB2  TYR  51           1HB      TYR  51  -5.973   5.258   5.906
  379    HB3  TYR  51           2HB      TYR  51  -7.422   6.126   5.411
  380    HD1  TYR  51           HD2      TYR  51  -6.889   4.003   8.422
  381    HD2  TYR  51           HD1      TYR  51  -7.545   7.921   6.899
  382    HE1  TYR  51           HE2      TYR  51  -7.164   4.842  10.717
  383    HE2  TYR  51           HE1      TYR  51  -7.821   8.771   9.190
  384    HH   TYR  51           HH       TYR  51  -6.983   6.952  11.938
  385    H    CYS  52           H        CYS  52  -9.291   2.750   7.357
  386    HA   CYS  52           HA       CYS  52 -11.726   4.035   6.335
  387    HB2  CYS  52           1HB      CYS  52 -11.287   1.449   7.834
  388    HB3  CYS  52           2HB      CYS  52 -12.883   2.120   7.516
  389    H    GLU  53           H        GLU  53 -12.857   5.402   7.558
  390    HA   GLU  53           HA       GLU  53 -12.121   5.640  10.398
  391    HB2  GLU  53           1HB      GLU  53 -11.613   7.643   9.116
  392    HB3  GLU  53           2HB      GLU  53 -13.260   7.702   8.505
  393    HG2  GLU  53           1HG      GLU  53 -13.097   9.324  10.212
  394    HG3  GLU  53           2HG      GLU  53 -14.032   7.981  10.869
  395    H    TYR  54           H        TYR  54 -13.552   4.444  11.513
  396    HA   TYR  54           HA       TYR  54 -16.336   4.322  10.750
  397    HB2  TYR  54           1HB      TYR  54 -14.603   2.970  12.755
  398    HB3  TYR  54           2HB      TYR  54 -16.327   3.047  13.099
  399    HD1  TYR  54           HD1      TYR  54 -14.141   2.292  10.154
  400    HD2  TYR  54           HD2      TYR  54 -17.546   1.205  12.462
  401    HE1  TYR  54           HE1      TYR  54 -14.515   0.358   8.680
  402    HE2  TYR  54           HE2      TYR  54 -17.929  -0.733  10.996
  403    HH   TYR  54           HH       TYR  54 -17.348  -1.346   8.569
  Start of MODEL   11
    1    H1   ASP   2           H        ASP   2 -17.861   4.372   3.195
    2    HA   ASP   2           HA       ASP   2 -16.338   5.108   0.781
    3    HB2  ASP   2           1HB      ASP   2 -17.441   7.051   2.815
    4    HB3  ASP   2           2HB      ASP   2 -16.670   7.437   1.279
    5    H    CYS   3           H        CYS   3 -14.243   4.808   1.106
    6    HA   CYS   3           HA       CYS   3 -13.123   5.472   3.748
    7    HB2  CYS   3           1HB      CYS   3 -11.981   3.326   1.970
    8    HB3  CYS   3           2HB      CYS   3 -11.673   3.609   3.681
    9    H    LYS   4           H        LYS   4 -10.637   5.710   3.555
   10    HA   LYS   4           HA       LYS   4 -10.071   7.341   1.167
   11    HB2  LYS   4           1HB      LYS   4 -10.044   8.860   2.933
   12    HB3  LYS   4           2HB      LYS   4  -9.351   7.696   4.055
   13    HG2  LYS   4           1HG      LYS   4  -7.752   9.435   3.477
   14    HG3  LYS   4           2HG      LYS   4  -7.205   7.854   2.913
   15    HD2  LYS   4           1HD      LYS   4  -6.783   9.390   1.153
   16    HD3  LYS   4           2HD      LYS   4  -8.189   8.440   0.668
   17    HE2  LYS   4           1HE      LYS   4  -9.001  10.501   0.182
   18    HE3  LYS   4           2HE      LYS   4  -9.451  10.448   1.886
   19    HZ1  LYS   4           3HZ      LYS   4  -6.901  11.614   0.921
   20    HZ2  LYS   4           1HZ      LYS   4  -7.585  11.754   2.463
   21    HZ3  LYS   4           2HZ      LYS   4  -8.308  12.526   1.144
   22    H    ARG   5           H        ARG   5  -8.628   6.479  -0.158
   23    HA   ARG   5           HA       ARG   5  -6.446   4.868   0.989
   24    HB2  ARG   5           1HB      ARG   5  -6.534   3.460  -1.062
   25    HB3  ARG   5           2HB      ARG   5  -7.977   3.335  -0.065
   26    HG2  ARG   5           1HG      ARG   5  -8.895   3.495  -2.153
   27    HG3  ARG   5           2HG      ARG   5  -8.888   5.189  -1.662
   28    HD2  ARG   5           1HD      ARG   5  -7.149   5.730  -3.071
   29    HD3  ARG   5           2HD      ARG   5  -6.524   4.081  -3.102
   30    HE   ARG   5           HE       ARG   5  -9.022   4.047  -4.322
   31   HH11  ARG   5          1HH1      ARG   5  -5.880   5.448  -4.854
   32   HH12  ARG   5          2HH1      ARG   5  -6.038   5.470  -6.579
   33   HH21  ARG   5          1HH2      ARG   5  -9.242   4.070  -6.592
   34   HH22  ARG   5          2HH2      ARG   5  -7.951   4.686  -7.567
   35    H    LYS   6           H        LYS   6  -4.522   4.736  -0.414
   36    HA   LYS   6           HA       LYS   6  -4.178   6.587  -2.558
   37    HB2  LYS   6           1HB      LYS   6  -4.113   8.245  -0.826
   38    HB3  LYS   6           2HB      LYS   6  -3.017   7.270   0.144
   39    HG2  LYS   6           1HG      LYS   6  -1.191   7.823  -1.107
   40    HG3  LYS   6           2HG      LYS   6  -2.138   8.093  -2.572
   41    HD2  LYS   6           1HD      LYS   6  -2.310   9.895  -0.168
   42    HD3  LYS   6           2HD      LYS   6  -1.148  10.153  -1.472
   43    HE2  LYS   6           1HE      LYS   6  -4.075   9.840  -2.043
   44    HE3  LYS   6           2HE      LYS   6  -3.407  11.397  -1.555
   45    HZ1  LYS   6           3HZ      LYS   6  -3.346  11.432  -3.866
   46    HZ2  LYS   6           1HZ      LYS   6  -2.821   9.828  -3.988
   47    HZ3  LYS   6           2HZ      LYS   6  -1.760  11.027  -3.443
   48    H    VAL   7           H        VAL   7  -2.379   6.125  -3.747
   49    HA   VAL   7           HA       VAL   7  -0.841   3.795  -2.888
   50    HB   VAL   7           HB       VAL   7  -1.789   3.660  -5.108
   51   HG11  VAL   7          1HG1      VAL   7  -1.006   6.401  -5.253
   52   HG12  VAL   7          2HG1      VAL   7  -0.270   5.520  -6.592
   53   HG13  VAL   7          3HG1      VAL   7  -2.019   5.477  -6.362
   54   HG21  VAL   7          3HG2      VAL   7   1.125   4.144  -5.596
   55   HG22  VAL   7          1HG2      VAL   7   0.596   2.832  -4.543
   56   HG23  VAL   7          2HG2      VAL   7   0.085   2.871  -6.230
   57    H    TYR   8           H        TYR   8   1.342   3.782  -2.588
   58    HA   TYR   8           HA       TYR   8   2.674   6.409  -2.625
   59    HB2  TYR   8           1HB      TYR   8   2.306   4.899  -0.446
   60    HB3  TYR   8           2HB      TYR   8   3.803   4.174  -1.020
   61    HD1  TYR   8           HD1      TYR   8   2.519   7.686  -0.855
   62    HD2  TYR   8           HD2      TYR   8   5.612   4.950   0.173
   63    HE1  TYR   8           HE1      TYR   8   3.795   9.522   0.169
   64    HE2  TYR   8           HE2      TYR   8   6.896   6.779   1.202
   65    HH   TYR   8           HH       TYR   8   5.825  10.127   0.979
   66    H    GLU   9           H        GLU   9   3.339   6.205  -4.800
   67    HA   GLU   9           HA       GLU   9   4.759   3.994  -5.823
   68    HB2  GLU   9           1HB      GLU   9   5.461   5.553  -7.622
   69    HB3  GLU   9           2HB      GLU   9   3.729   5.583  -7.321
   70    HG2  GLU   9           1HG      GLU   9   3.934   7.643  -6.089
   71    HG3  GLU   9           2HG      GLU   9   5.689   7.594  -6.241
   72    H    ASN  10           H        ASN  10   5.669   6.452  -3.657
   73    HA   ASN  10           HA       ASN  10   8.413   6.701  -4.255
   74    HB2  ASN  10           1HB      ASN  10   7.561   8.359  -2.836
   75    HB3  ASN  10           2HB      ASN  10   6.768   7.187  -1.788
   76   HD21  ASN  10          2HD2      ASN  10   9.905   8.423  -2.794
   77   HD22  ASN  10          1HD2      ASN  10  10.729   8.045  -1.322
   78    H    TYR  11           H        TYR  11   6.586   4.246  -2.644
   79    HA   TYR  11           HA       TYR  11   8.827   3.059  -1.291
   80    HB2  TYR  11           1HB      TYR  11   6.004   2.776  -1.232
   81    HB3  TYR  11           2HB      TYR  11   6.678   1.199  -1.632
   82    HD1  TYR  11           HD2      TYR  11   7.886   3.929   0.616
   83    HD2  TYR  11           HD1      TYR  11   6.626  -0.119   0.266
   84    HE1  TYR  11           HE2      TYR  11   8.421   3.563   2.988
   85    HE2  TYR  11           HE1      TYR  11   7.157  -0.496   2.637
   86    HH   TYR  11           HH       TYR  11   8.792   1.930   4.562
   87    HA   PRO  12           HA       PRO  12  10.445   0.622  -4.572
   88    HB2  PRO  12           1HB      PRO  12  11.516  -1.424  -3.144
   89    HB3  PRO  12           2HB      PRO  12  12.226   0.194  -3.185
   90    HG2  PRO  12           1HG      PRO  12  10.474  -1.053  -1.104
   91    HG3  PRO  12           2HG      PRO  12  11.927  -0.060  -0.893
   92    HD2  PRO  12           1HD      PRO  12   9.427   0.941  -0.615
   93    HD3  PRO  12           2HD      PRO  12  10.782   1.912  -1.227
   94    H    VAL  13           H        VAL  13   9.775  -0.976  -5.908
   95    HA   VAL  13           HA       VAL  13   7.324  -2.306  -5.381
   96    HB   VAL  13           HB       VAL  13   9.303  -2.918  -7.579
   97   HG11  VAL  13          1HG1      VAL  13   7.763  -4.650  -7.608
   98   HG12  VAL  13          2HG1      VAL  13   6.432  -3.610  -7.097
   99   HG13  VAL  13          3HG1      VAL  13   7.062  -3.495  -8.741
  100   HG21  VAL  13          3HG2      VAL  13   7.833  -1.387  -8.934
  101   HG22  VAL  13          1HG2      VAL  13   7.118  -0.854  -7.411
  102   HG23  VAL  13          2HG2      VAL  13   8.835  -0.592  -7.719
  103    H    SER  14           H        SER  14  10.552  -3.053  -4.625
  104    HA   SER  14           HA       SER  14  10.422  -5.888  -4.726
  105    HB2  SER  14           1HB      SER  14  12.206  -4.129  -3.023
  106    HB3  SER  14           2HB      SER  14  12.468  -5.835  -3.381
  107    HG   SER  14           HG       SER  14  12.770  -5.305  -5.538
  108    H    LYS  15           H        LYS  15   9.466  -3.502  -2.376
  109    HA   LYS  15           HA       LYS  15   9.192  -5.331  -0.190
  110    HB2  LYS  15           1HB      LYS  15   8.574  -2.474  -0.699
  111    HB3  LYS  15           2HB      LYS  15   7.626  -3.270   0.550
  112    HG2  LYS  15           1HG      LYS  15   9.597  -2.129   1.452
  113    HG3  LYS  15           2HG      LYS  15   9.637  -3.869   1.748
  114    HD2  LYS  15           1HD      LYS  15  11.463  -4.168   0.464
  115    HD3  LYS  15           2HD      LYS  15  10.917  -3.013  -0.753
  116    HE2  LYS  15           1HE      LYS  15  12.819  -2.011   0.148
  117    HE3  LYS  15           2HE      LYS  15  11.489  -1.216   0.989
  118    HZ1  LYS  15           3HZ      LYS  15  13.369  -1.932   2.435
  119    HZ2  LYS  15           1HZ      LYS  15  12.963  -3.538   2.096
  120    HZ3  LYS  15           2HZ      LYS  15  11.862  -2.541   2.903
  121    H    CYS  16           H        CYS  16   7.243  -4.409  -2.878
  122    HA   CYS  16           HA       CYS  16   4.667  -4.833  -1.993
  123    HB2  CYS  16           1HB      CYS  16   5.064  -4.039  -4.227
  124    HB3  CYS  16           2HB      CYS  16   5.923  -5.515  -4.655
  125    H    GLN  17           H        GLN  17   7.147  -7.189  -2.765
  126    HA   GLN  17           HA       GLN  17   5.572  -9.493  -2.887
  127    HB2  GLN  17           1HB      GLN  17   8.387  -9.276  -1.806
  128    HB3  GLN  17           2HB      GLN  17   7.612 -10.729  -2.424
  129    HG2  GLN  17           1HG      GLN  17   7.962  -8.306  -4.145
  130    HG3  GLN  17           2HG      GLN  17   9.257  -9.483  -3.937
  131   HE21  GLN  17          2HE2      GLN  17   8.664 -11.760  -4.400
  132   HE22  GLN  17          1HE2      GLN  17   7.593 -12.060  -5.721
  133    H    LEU  18           H        LEU  18   6.846  -7.714  -0.144
  134    HA   LEU  18           HA       LEU  18   6.123  -9.712   1.787
  135    HB2  LEU  18           1HB      LEU  18   7.169  -6.922   1.891
  136    HB3  LEU  18           2HB      LEU  18   6.469  -7.629   3.345
  137    HG   LEU  18           HG       LEU  18   9.014  -7.744   3.029
  138   HD11  LEU  18          1HD1      LEU  18   8.803  -9.180   4.701
  139   HD12  LEU  18          2HD1      LEU  18   8.429 -10.473   3.563
  140   HD13  LEU  18          3HD1      LEU  18   7.131  -9.483   4.229
  141   HD21  LEU  18          3HD2      LEU  18   8.910  -8.520   0.680
  142   HD22  LEU  18          1HD2      LEU  18   8.215 -10.040   1.244
  143   HD23  LEU  18          2HD2      LEU  18   9.852  -9.587   1.723
  144    H    ALA  19           H        ALA  19   4.275  -9.921   2.909
  145    HA   ALA  19           HA       ALA  19   2.044  -8.195   2.172
  146    HB1  ALA  19           3HB      ALA  19   2.336 -10.937   3.203
  147    HB2  ALA  19           1HB      ALA  19   0.933 -10.043   3.789
  148    HB3  ALA  19           2HB      ALA  19   1.174 -10.270   2.056
  149    H    ASN  20           H        ASN  20   4.047  -8.983   4.922
  150    HA   ASN  20           HA       ASN  20   2.352  -7.510   6.766
  151    HB2  ASN  20           1HB      ASN  20   3.931  -8.195   8.480
  152    HB3  ASN  20           2HB      ASN  20   3.507  -9.586   7.488
  153   HD21  ASN  20          2HD2      ASN  20   5.751  -9.595   9.050
  154   HD22  ASN  20          1HD2      ASN  20   7.157  -9.568   8.046
  155    H    GLN  21           H        GLN  21   4.899  -6.866   4.632
  156    HA   GLN  21           HA       GLN  21   6.050  -4.678   6.116
  157    HB2  GLN  21           1HB      GLN  21   7.404  -6.014   4.549
  158    HB3  GLN  21           2HB      GLN  21   6.397  -5.461   3.217
  159    HG2  GLN  21           1HG      GLN  21   8.084  -3.982   2.989
  160    HG3  GLN  21           2HG      GLN  21   7.124  -3.090   4.168
  161   HE21  GLN  21          2HE2      GLN  21   8.731  -2.015   5.181
  162   HE22  GLN  21          1HE2      GLN  21   9.997  -2.778   6.075
  163    H    CYS  22           H        CYS  22   3.872  -5.056   3.351
  164    HA   CYS  22           HA       CYS  22   3.605  -2.336   2.715
  165    HB2  CYS  22           1HB      CYS  22   2.383  -4.820   1.934
  166    HB3  CYS  22           2HB      CYS  22   1.138  -3.596   2.161
  167    H    ASN  23           H        ASN  23   1.244  -4.379   4.446
  168    HA   ASN  23           HA       ASN  23  -0.419  -2.339   5.313
  169    HB2  ASN  23           1HB      ASN  23  -1.507  -3.947   6.513
  170    HB3  ASN  23           2HB      ASN  23  -0.507  -5.011   5.529
  171   HD21  ASN  23          2HD2      ASN  23   1.710  -5.438   6.512
  172   HD22  ASN  23          1HD2      ASN  23   1.732  -5.792   8.202
  173    H    TYR  24           H        TYR  24   2.662  -3.372   6.546
  174    HA   TYR  24           HA       TYR  24   2.469  -2.141   9.101
  175    HB2  TYR  24           1HB      TYR  24   4.107  -3.846   8.839
  176    HB3  TYR  24           2HB      TYR  24   4.812  -3.054   7.433
  177    HD1  TYR  24           HD1      TYR  24   3.944  -1.805  10.848
  178    HD2  TYR  24           HD2      TYR  24   6.979  -2.434   7.934
  179    HE1  TYR  24           HE1      TYR  24   5.570  -0.677  12.308
  180    HE2  TYR  24           HE2      TYR  24   8.615  -1.308   9.386
  181    HH   TYR  24           HH       TYR  24   8.197   0.622  11.477
  182    H    ASP  25           H        ASP  25   3.994  -1.138   6.049
  183    HA   ASP  25           HA       ASP  25   4.828   1.398   7.029
  184    HB2  ASP  25           1HB      ASP  25   6.027   0.566   5.171
  185    HB3  ASP  25           2HB      ASP  25   4.553   0.233   4.266
  186    H    CYS  26           H        CYS  26   1.896   0.187   5.606
  187    HA   CYS  26           HA       CYS  26   0.817   2.782   4.987
  188    HB2  CYS  26           1HB      CYS  26  -0.329  -0.005   5.010
  189    HB3  CYS  26           2HB      CYS  26  -1.336   1.408   4.712
  190    H    LYS  27           H        LYS  27   0.117   0.287   7.429
  191    HA   LYS  27           HA       LYS  27  -1.771   1.871   8.842
  192    HB2  LYS  27           1HB      LYS  27  -0.205  -0.591   9.618
  193    HB3  LYS  27           2HB      LYS  27  -1.409   0.151  10.663
  194    HG2  LYS  27           1HG      LYS  27  -2.824  -0.119   8.372
  195    HG3  LYS  27           2HG      LYS  27  -1.748  -1.515   8.274
  196    HD2  LYS  27           1HD      LYS  27  -3.561  -0.820  10.586
  197    HD3  LYS  27           2HD      LYS  27  -3.829  -2.101   9.400
  198    HE2  LYS  27           1HE      LYS  27  -2.795  -3.432  10.870
  199    HE3  LYS  27           2HE      LYS  27  -1.310  -2.664  10.309
  200    HZ1  LYS  27           3HZ      LYS  27  -1.086  -1.512  12.209
  201    HZ2  LYS  27           1HZ      LYS  27  -2.070  -2.725  12.859
  202    HZ3  LYS  27           2HZ      LYS  27  -2.747  -1.246  12.393
  203    H    LEU  28           H        LEU  28   1.585   2.017   8.639
  204    HA   LEU  28           HA       LEU  28   2.102   2.932  11.316
  205    HB2  LEU  28           1HB      LEU  28   3.890   1.850  10.206
  206    HB3  LEU  28           2HB      LEU  28   3.727   2.883   8.788
  207    HG   LEU  28           HG       LEU  28   4.393   4.270  11.302
  208   HD11  LEU  28          1HD1      LEU  28   6.090   2.118  10.157
  209   HD12  LEU  28          2HD1      LEU  28   5.898   2.640  11.830
  210   HD13  LEU  28          3HD1      LEU  28   6.874   3.596  10.715
  211   HD21  LEU  28          3HD2      LEU  28   6.184   4.811   9.197
  212   HD22  LEU  28          1HD2      LEU  28   4.857   5.815   9.780
  213   HD23  LEU  28          2HD2      LEU  28   4.581   4.660   8.476
  214    H    ASP  29           H        ASP  29   2.402   4.549   8.147
  215    HA   ASP  29           HA       ASP  29   2.072   7.131   9.472
  216    HB2  ASP  29           1HB      ASP  29   3.175   6.218   6.862
  217    HB3  ASP  29           2HB      ASP  29   2.473   7.832   6.924
  218    H    LYS  30           H        LYS  30   0.686   5.337   6.728
  219    HA   LYS  30           HA       LYS  30  -1.440   7.185   6.315
  220    HB2  LYS  30           1HB      LYS  30  -0.567   4.620   5.191
  221    HB3  LYS  30           2HB      LYS  30  -2.313   4.827   5.203
  222    HG2  LYS  30           1HG      LYS  30  -0.625   7.049   4.176
  223    HG3  LYS  30           2HG      LYS  30  -0.859   5.619   3.168
  224    HD2  LYS  30           1HD      LYS  30  -2.640   6.885   2.484
  225    HD3  LYS  30           2HD      LYS  30  -3.388   6.000   3.815
  226    HE2  LYS  30           1HE      LYS  30  -2.086   8.400   4.753
  227    HE3  LYS  30           2HE      LYS  30  -3.258   8.766   3.489
  228    HZ1  LYS  30           3HZ      LYS  30  -4.225   6.892   5.443
  229    HZ2  LYS  30           1HZ      LYS  30  -4.953   8.292   4.834
  230    HZ3  LYS  30           2HZ      LYS  30  -3.841   8.401   6.103
  231    H    HIS  31           H        HIS  31  -0.892   4.887   8.695
  232    HA   HIS  31           HA       HIS  31  -2.184   3.871  10.276
  233    HB2  HIS  31           1HB      HIS  31  -3.740   6.397   9.732
  234    HB3  HIS  31           2HB      HIS  31  -4.183   5.272  11.012
  235    HD1  HIS  31           HD1      HIS  31  -2.303   4.913  12.906
  236    HD2  HIS  31           HD2      HIS  31  -1.795   8.190  10.403
  237    HE1  HIS  31           HE1      HIS  31  -0.658   6.408  14.082
  238    H    ALA  32           H        ALA  32  -2.686   3.188   7.445
  239    HA   ALA  32           HA       ALA  32  -5.422   2.841   6.934
  240    HB1  ALA  32           3HB      ALA  32  -3.078   2.316   5.583
  241    HB2  ALA  32           1HB      ALA  32  -3.763   0.713   5.853
  242    HB3  ALA  32           2HB      ALA  32  -4.708   1.948   5.019
  243    H    ARG  33           H        ARG  33  -5.746   0.133   6.380
  244    HA   ARG  33           HA       ARG  33  -5.539  -1.175   9.003
  245    HB2  ARG  33           1HB      ARG  33  -7.845  -0.075   8.407
  246    HB3  ARG  33           2HB      ARG  33  -8.033  -1.488   7.377
  247    HG2  ARG  33           1HG      ARG  33  -7.463  -2.842   9.488
  248    HG3  ARG  33           2HG      ARG  33  -7.822  -1.349  10.357
  249    HD2  ARG  33           1HD      ARG  33 -10.049  -1.296   9.385
  250    HD3  ARG  33           2HD      ARG  33  -9.691  -2.743   8.443
  251    HE   ARG  33           HE       ARG  33 -10.036  -4.021  10.320
  252   HH11  ARG  33          1HH1      ARG  33  -9.823  -0.664  11.215
  253   HH12  ARG  33          2HH1      ARG  33 -10.345  -0.931  12.846
  254   HH21  ARG  33          1HH2      ARG  33 -10.724  -4.385  12.464
  255   HH22  ARG  33          2HH2      ARG  33 -10.855  -3.048  13.555
  256    H    SER  34           H        SER  34  -6.121  -1.505   5.535
  257    HA   SER  34           HA       SER  34  -5.030  -4.238   5.695
  258    HB2  SER  34           1HB      SER  34  -7.238  -3.229   3.885
  259    HB3  SER  34           2HB      SER  34  -6.481  -4.817   3.752
  260    HG   SER  34           HG       SER  34  -8.532  -4.250   5.197
  261    H    GLY  35           H        GLY  35  -3.467  -1.935   5.313
  262    HA2  GLY  35           1HA      GLY  35  -2.948  -1.099   2.746
  263    HA3  GLY  35           2HA      GLY  35  -1.710  -1.284   3.979
  264    H    GLU  36           H        GLU  36  -2.318  -2.034   0.923
  265    HA   GLU  36           HA       GLU  36  -0.454  -4.230   0.924
  266    HB2  GLU  36           1HB      GLU  36  -2.947  -5.083   1.225
  267    HB3  GLU  36           2HB      GLU  36  -2.998  -4.832  -0.513
  268    HG2  GLU  36           1HG      GLU  36  -2.439  -7.141   0.111
  269    HG3  GLU  36           2HG      GLU  36  -1.179  -6.362  -0.845
  270    H    CYS  37           H        CYS  37   0.044  -4.937  -1.349
  271    HA   CYS  37           HA       CYS  37  -0.056  -2.589  -3.110
  272    HB2  CYS  37           1HB      CYS  37   1.946  -3.390  -4.138
  273    HB3  CYS  37           2HB      CYS  37   2.178  -3.520  -2.397
  274    H    PHE  38           H        PHE  38  -0.424  -2.867  -5.368
  275    HA   PHE  38           HA       PHE  38  -1.246  -5.358  -6.472
  276    HB2  PHE  38           1HB      PHE  38  -3.284  -3.593  -5.278
  277    HB3  PHE  38           2HB      PHE  38  -3.640  -4.135  -6.914
  278    HD1  PHE  38           HD1      PHE  38  -2.849  -6.805  -7.134
  279    HD2  PHE  38           HD2      PHE  38  -4.388  -4.820  -3.697
  280    HE1  PHE  38           HE1      PHE  38  -3.642  -8.960  -6.248
  281    HE2  PHE  38           HE2      PHE  38  -5.183  -6.970  -2.806
  282    HZ   PHE  38           HZ       PHE  38  -4.810  -9.044  -4.081
  283    H    TYR  39           H        TYR  39  -1.891  -5.174  -8.718
  284    HA   TYR  39           HA       TYR  39  -0.388  -3.225 -10.109
  285    HB2  TYR  39           1HB      TYR  39  -1.388  -4.205 -12.140
  286    HB3  TYR  39           2HB      TYR  39  -0.773  -5.440 -11.047
  287    HD1  TYR  39           HD2      TYR  39  -3.801  -3.900 -12.446
  288    HD2  TYR  39           HD1      TYR  39  -2.264  -6.987  -9.954
  289    HE1  TYR  39           HE2      TYR  39  -5.997  -5.008 -12.474
  290    HE2  TYR  39           HE1      TYR  39  -4.456  -8.104  -9.977
  291    HH   TYR  39           HH       TYR  39  -6.586  -7.967 -10.607
  292    H    ASP  40           H        ASP  40  -0.938  -1.327 -11.020
  293    HA   ASP  40           HA       ASP  40  -3.618  -0.303 -10.453
  294    HB2  ASP  40           1HB      ASP  40  -2.566   1.911 -11.114
  295    HB3  ASP  40           2HB      ASP  40  -1.915   1.153  -9.663
  296    H    GLU  41           H        GLU  41  -4.108   1.555 -12.261
  297    HA   GLU  41           HA       GLU  41  -5.004   0.142 -14.509
  298    HB2  GLU  41           1HB      GLU  41  -5.785   2.221 -15.348
  299    HB3  GLU  41           2HB      GLU  41  -5.928   2.312 -13.598
  300    HG2  GLU  41           1HG      GLU  41  -3.734   3.525 -13.578
  301    HG3  GLU  41           2HG      GLU  41  -3.840   3.596 -15.336
  302    H    LYS  42           H        LYS  42  -1.982   1.649 -13.830
  303    HA   LYS  42           HA       LYS  42  -1.180   1.639 -16.639
  304    HB2  LYS  42           1HB      LYS  42   0.100   2.690 -14.123
  305    HB3  LYS  42           2HB      LYS  42   0.986   2.582 -15.640
  306    HG2  LYS  42           1HG      LYS  42  -1.131   3.901 -16.536
  307    HG3  LYS  42           2HG      LYS  42  -1.212   4.404 -14.847
  308    HD2  LYS  42           1HD      LYS  42   1.270   4.615 -16.544
  309    HD3  LYS  42           2HD      LYS  42   0.106   5.927 -16.341
  310    HE2  LYS  42           1HE      LYS  42   0.476   5.777 -13.880
  311    HE3  LYS  42           2HE      LYS  42   1.755   4.604 -14.190
  312    HZ1  LYS  42           3HZ      LYS  42   2.588   6.880 -13.891
  313    HZ2  LYS  42           1HZ      LYS  42   1.716   7.376 -15.253
  314    HZ3  LYS  42           2HZ      LYS  42   2.971   6.254 -15.415
  315    H    ARG  43           H        ARG  43  -1.659  -0.807 -14.937
  316    HA   ARG  43           HA       ARG  43  -0.729  -2.850 -14.547
  317    HB2  ARG  43           1HB      ARG  43   0.643  -1.888 -17.028
  318    HB3  ARG  43           2HB      ARG  43   1.146  -3.406 -16.297
  319    HG2  ARG  43           1HG      ARG  43  -1.727  -2.861 -16.952
  320    HG3  ARG  43           2HG      ARG  43  -0.600  -3.490 -18.156
  321    HD2  ARG  43           1HD      ARG  43  -1.208  -4.761 -15.489
  322    HD3  ARG  43           2HD      ARG  43  -1.867  -5.277 -17.041
  323    HE   ARG  43           HE       ARG  43   0.793  -5.396 -17.457
  324   HH11  ARG  43          1HH1      ARG  43  -1.268  -6.648 -14.946
  325   HH12  ARG  43          2HH1      ARG  43  -0.262  -8.022 -14.625
  326   HH21  ARG  43          1HH2      ARG  43   2.126  -7.201 -17.044
  327   HH22  ARG  43          2HH2      ARG  43   1.668  -8.335 -15.818
  328    H    ASN  44           H        ASN  44   0.401  -0.550 -13.121
  329    HA   ASN  44           HA       ASN  44   3.173  -1.444 -12.730
  330    HB2  ASN  44           1HB      ASN  44   1.811   1.166 -12.529
  331    HB3  ASN  44           2HB      ASN  44   2.974   0.833 -11.249
  332   HD21  ASN  44          2HD2      ASN  44   3.101   2.803 -13.364
  333   HD22  ASN  44          1HD2      ASN  44   4.541   2.469 -14.258
  334    H    LEU  45           H        LEU  45   3.838  -2.278 -10.826
  335    HA   LEU  45           HA       LEU  45   1.788  -2.903  -8.860
  336    HB2  LEU  45           1HB      LEU  45   4.659  -3.745  -8.703
  337    HB3  LEU  45           2HB      LEU  45   3.235  -4.540  -8.034
  338    HG   LEU  45           HG       LEU  45   3.852  -4.373 -10.981
  339   HD11  LEU  45          1HD1      LEU  45   5.465  -5.851 -10.504
  340   HD12  LEU  45          2HD1      LEU  45   4.133  -6.987 -10.289
  341   HD13  LEU  45          3HD1      LEU  45   4.832  -6.175  -8.889
  342   HD21  LEU  45          3HD2      LEU  45   2.005  -5.660 -11.347
  343   HD22  LEU  45          1HD2      LEU  45   1.454  -4.753  -9.939
  344   HD23  LEU  45          2HD2      LEU  45   2.061  -6.397  -9.746
  345    H    GLN  46           H        GLN  46   1.432  -1.545  -7.242
  346    HA   GLN  46           HA       GLN  46   3.731  -0.325  -5.891
  347    HB2  GLN  46           1HB      GLN  46   1.207   1.230  -6.426
  348    HB3  GLN  46           2HB      GLN  46   2.745   1.832  -5.821
  349    HG2  GLN  46           1HG      GLN  46   3.583   0.897  -8.162
  350    HG3  GLN  46           2HG      GLN  46   1.901   1.212  -8.587
  351   HE21  GLN  46          2HE2      GLN  46   1.103   3.412  -7.876
  352   HE22  GLN  46          1HE2      GLN  46   2.176   4.741  -8.133
  353    H    CYS  47           H        CYS  47   3.173   0.510  -3.717
  354    HA   CYS  47           HA       CYS  47   1.327  -1.337  -2.414
  355    HB2  CYS  47           1HB      CYS  47   3.712  -1.006  -1.623
  356    HB3  CYS  47           2HB      CYS  47   3.228   0.600  -1.090
  357    H    ILE  48           H        ILE  48  -0.706  -0.666  -2.230
  358    HA   ILE  48           HA       ILE  48  -1.233   2.187  -1.778
  359    HB   ILE  48           HB       ILE  48  -3.205   0.036  -2.549
  360   HG12  ILE  48          1HG1      ILE  48  -2.979   1.675  -4.723
  361   HG13  ILE  48          2HG1      ILE  48  -1.319   1.651  -4.136
  362   HG21  ILE  48          1HG2      ILE  48  -4.590   1.641  -1.763
  363   HG22  ILE  48          2HG2      ILE  48  -3.398   2.924  -1.967
  364   HG23  ILE  48          3HG2      ILE  48  -4.312   2.340  -3.358
  365   HD11  ILE  48          3HD1      ILE  48  -1.974  -0.988  -4.051
  366   HD12  ILE  48          1HD1      ILE  48  -2.882  -0.432  -5.456
  367   HD13  ILE  48          2HD1      ILE  48  -1.136  -0.189  -5.382
  368    H    CYS  49           H        CYS  49  -2.451   2.903  -0.056
  369    HA   CYS  49           HA       CYS  49  -2.855   0.939   2.099
  370    HB2  CYS  49           1HB      CYS  49  -2.659   3.928   2.451
  371    HB3  CYS  49           2HB      CYS  49  -2.492   2.676   3.678
  372    H    ASP  50           H        ASP  50  -4.784   0.844   3.195
  373    HA   ASP  50           HA       ASP  50  -6.976   2.501   2.130
  374    HB2  ASP  50           1HB      ASP  50  -6.927  -0.451   2.736
  375    HB3  ASP  50           2HB      ASP  50  -8.436   0.455   2.643
  376    H    TYR  51           H        TYR  51  -7.727   3.807   3.649
  377    HA   TYR  51           HA       TYR  51  -7.780   2.842   6.434
  378    HB2  TYR  51           1HB      TYR  51  -6.165   4.677   6.094
  379    HB3  TYR  51           2HB      TYR  51  -7.460   5.692   5.470
  380    HD1  TYR  51           HD2      TYR  51  -7.361   3.421   8.430
  381    HD2  TYR  51           HD1      TYR  51  -7.763   7.408   7.000
  382    HE1  TYR  51           HE2      TYR  51  -7.856   4.183  10.715
  383    HE2  TYR  51           HE1      TYR  51  -8.257   8.182   9.282
  384    HH   TYR  51           HH       TYR  51  -7.595   6.523  11.971
  385    H    CYS  52           H        CYS  52  -9.786   2.381   7.028
  386    HA   CYS  52           HA       CYS  52 -11.957   4.164   6.136
  387    HB2  CYS  52           1HB      CYS  52 -11.777   1.625   5.319
  388    HB3  CYS  52           2HB      CYS  52 -12.584   1.346   6.858
  389    H    GLU  53           H        GLU  53 -13.205   5.025   7.683
  390    HA   GLU  53           HA       GLU  53 -12.813   4.060  10.439
  391    HB2  GLU  53           1HB      GLU  53 -12.074   6.439   9.755
  392    HB3  GLU  53           2HB      GLU  53 -13.791   6.812   9.728
  393    HG2  GLU  53           1HG      GLU  53 -14.027   6.424  12.027
  394    HG3  GLU  53           2HG      GLU  53 -12.475   5.596  12.130
  395    H    TYR  54           H        TYR  54 -14.479   2.702  10.801
  396    HA   TYR  54           HA       TYR  54 -17.100   3.114   9.754
  397    HB2  TYR  54           1HB      TYR  54 -15.837   1.165  11.634
  398    HB3  TYR  54           2HB      TYR  54 -17.593   1.282  11.592
  399    HD1  TYR  54           HD2      TYR  54 -18.699   1.085   9.247
  400    HD2  TYR  54           HD1      TYR  54 -14.740  -0.207  10.114
  401    HE1  TYR  54           HE2      TYR  54 -18.754  -0.385   7.275
  402    HE2  TYR  54           HE1      TYR  54 -14.782  -1.680   8.144
  403    HH   TYR  54           HH       TYR  54 -17.330  -1.540   5.800
  Start of MODEL   12
    1    H1   ASP   2           H        ASP   2 -18.759   4.361   3.769
    2    HA   ASP   2           HA       ASP   2 -16.925   4.688   1.884
    3    HB2  ASP   2           1HB      ASP   2 -17.567   6.804   3.949
    4    HB3  ASP   2           2HB      ASP   2 -16.856   7.110   2.367
    5    H    CYS   3           H        CYS   3 -14.812   4.413   1.698
    6    HA   CYS   3           HA       CYS   3 -13.092   5.064   3.998
    7    HB2  CYS   3           1HB      CYS   3 -12.503   2.790   2.112
    8    HB3  CYS   3           2HB      CYS   3 -11.784   3.119   3.684
    9    H    LYS   4           H        LYS   4 -10.706   5.146   3.236
   10    HA   LYS   4           HA       LYS   4 -10.571   6.487   0.617
   11    HB2  LYS   4           1HB      LYS   4  -8.753   7.923   1.733
   12    HB3  LYS   4           2HB      LYS   4 -10.432   8.282   2.114
   13    HG2  LYS   4           1HG      LYS   4 -10.223   7.036   4.207
   14    HG3  LYS   4           2HG      LYS   4  -8.536   6.685   3.825
   15    HD2  LYS   4           1HD      LYS   4  -8.312   8.519   5.198
   16    HD3  LYS   4           2HD      LYS   4  -8.353   9.286   3.609
   17    HE2  LYS   4           1HE      LYS   4 -10.669   9.851   3.876
   18    HE3  LYS   4           2HE      LYS   4 -10.773   8.917   5.367
   19    HZ1  LYS   4           3HZ      LYS   4 -10.516  11.032   6.166
   20    HZ2  LYS   4           1HZ      LYS   4  -9.514  11.527   4.896
   21    HZ3  LYS   4           2HZ      LYS   4  -8.899  10.534   6.118
   22    H    ARG   5           H        ARG   5  -8.545   6.374  -0.471
   23    HA   ARG   5           HA       ARG   5  -6.547   4.540   0.600
   24    HB2  ARG   5           1HB      ARG   5  -6.530   3.267  -1.572
   25    HB3  ARG   5           2HB      ARG   5  -7.942   2.994  -0.559
   26    HG2  ARG   5           1HG      ARG   5  -9.347   4.174  -1.973
   27    HG3  ARG   5           2HG      ARG   5  -8.012   5.044  -2.732
   28    HD2  ARG   5           1HD      ARG   5  -8.850   3.410  -4.281
   29    HD3  ARG   5           2HD      ARG   5  -7.253   2.906  -3.731
   30    HE   ARG   5           HE       ARG   5  -9.319   1.748  -2.153
   31   HH11  ARG   5          1HH1      ARG   5  -7.662   1.489  -5.204
   32   HH12  ARG   5          2HH1      ARG   5  -7.976  -0.207  -5.378
   33   HH21  ARG   5          1HH2      ARG   5  -9.737  -0.484  -2.371
   34   HH22  ARG   5          2HH2      ARG   5  -9.157  -1.328  -3.766
   35    H    LYS   6           H        LYS   6  -4.551   4.536  -0.665
   36    HA   LYS   6           HA       LYS   6  -4.158   6.467  -2.737
   37    HB2  LYS   6           1HB      LYS   6  -4.199   8.060  -0.951
   38    HB3  LYS   6           2HB      LYS   6  -3.148   7.061   0.044
   39    HG2  LYS   6           1HG      LYS   6  -1.263   7.713  -1.040
   40    HG3  LYS   6           2HG      LYS   6  -2.097   7.953  -2.578
   41    HD2  LYS   6           1HD      LYS   6  -1.546  10.117  -1.884
   42    HD3  LYS   6           2HD      LYS   6  -3.240   9.939  -1.425
   43    HE2  LYS   6           1HE      LYS   6  -2.290   9.156   0.850
   44    HE3  LYS   6           2HE      LYS   6  -0.795   9.918   0.308
   45    HZ1  LYS   6           3HZ      LYS   6  -2.377  11.910  -0.166
   46    HZ2  LYS   6           1HZ      LYS   6  -1.813  11.631   1.405
   47    HZ3  LYS   6           2HZ      LYS   6  -3.375  11.154   0.970
   48    H    VAL   7           H        VAL   7  -2.313   6.072  -3.872
   49    HA   VAL   7           HA       VAL   7  -0.697   3.804  -2.953
   50    HB   VAL   7           HB       VAL   7  -1.676   3.500  -5.142
   51   HG11  VAL   7          1HG1      VAL   7  -1.978   5.181  -6.558
   52   HG12  VAL   7          2HG1      VAL   7  -1.142   6.256  -5.437
   53   HG13  VAL   7          3HG1      VAL   7  -0.236   5.413  -6.694
   54   HG21  VAL   7          3HG2      VAL   7   0.620   2.647  -4.695
   55   HG22  VAL   7          1HG2      VAL   7   0.294   2.952  -6.401
   56   HG23  VAL   7          2HG2      VAL   7   1.263   4.094  -5.470
   57    H    TYR   8           H        TYR   8   1.487   3.916  -2.694
   58    HA   TYR   8           HA       TYR   8   2.673   6.605  -2.851
   59    HB2  TYR   8           1HB      TYR   8   2.584   4.749  -0.738
   60    HB3  TYR   8           2HB      TYR   8   4.246   4.737  -1.315
   61    HD1  TYR   8           HD2      TYR   8   5.041   7.318  -1.909
   62    HD2  TYR   8           HD1      TYR   8   2.229   6.139   1.057
   63    HE1  TYR   8           HE2      TYR   8   5.492   9.391  -0.666
   64    HE2  TYR   8           HE1      TYR   8   2.671   8.209   2.308
   65    HH   TYR   8           HH       TYR   8   4.900  10.670   1.059
   66    H    GLU   9           H        GLU   9   3.442   6.585  -4.937
   67    HA   GLU   9           HA       GLU   9   4.726   4.472  -6.226
   68    HB2  GLU   9           1HB      GLU   9   5.649   6.189  -7.741
   69    HB3  GLU   9           2HB      GLU   9   3.932   6.414  -7.444
   70    HG2  GLU   9           1HG      GLU   9   4.701   8.061  -5.612
   71    HG3  GLU   9           2HG      GLU   9   6.242   8.036  -6.468
   72    H    ASN  10           H        ASN  10   5.933   6.824  -3.945
   73    HA   ASN  10           HA       ASN  10   8.685   6.529  -4.398
   74    HB2  ASN  10           1HB      ASN  10   7.046   7.383  -2.032
   75    HB3  ASN  10           2HB      ASN  10   8.790   7.189  -1.876
   76   HD21  ASN  10          2HD2      ASN  10   6.281   8.844  -3.710
   77   HD22  ASN  10          1HD2      ASN  10   7.232  10.231  -4.106
   78    H    TYR  11           H        TYR  11   6.385   4.484  -2.821
   79    HA   TYR  11           HA       TYR  11   8.142   2.995  -1.192
   80    HB2  TYR  11           1HB      TYR  11   5.449   3.059  -1.508
   81    HB3  TYR  11           2HB      TYR  11   5.832   1.563  -2.351
   82    HD1  TYR  11           HD2      TYR  11   6.320   3.324   0.889
   83    HD2  TYR  11           HD1      TYR  11   6.197  -0.409  -1.148
   84    HE1  TYR  11           HE2      TYR  11   6.446   2.149   3.046
   85    HE2  TYR  11           HE1      TYR  11   6.321  -1.594   1.003
   86    HH   TYR  11           HH       TYR  11   7.228  -1.030   3.365
   87    HA   PRO  12           HA       PRO  12  10.359   0.648  -4.199
   88    HB2  PRO  12           1HB      PRO  12  11.269  -1.312  -2.555
   89    HB3  PRO  12           2HB      PRO  12  11.930   0.327  -2.553
   90    HG2  PRO  12           1HG      PRO  12   9.929  -0.912  -0.702
   91    HG3  PRO  12           2HG      PRO  12  11.307   0.137  -0.321
   92    HD2  PRO  12           1HD      PRO  12   8.765   1.059  -0.445
   93    HD3  PRO  12           2HD      PRO  12  10.165   2.056  -0.889
   94    H    VAL  13           H        VAL  13   9.813  -0.907  -5.608
   95    HA   VAL  13           HA       VAL  13   7.403  -2.370  -5.307
   96    HB   VAL  13           HB       VAL  13   9.607  -2.800  -7.328
   97   HG11  VAL  13          1HG1      VAL  13   7.751  -3.733  -8.707
   98   HG12  VAL  13          2HG1      VAL  13   8.141  -4.694  -7.278
   99   HG13  VAL  13          3HG1      VAL  13   6.717  -3.653  -7.280
  100   HG21  VAL  13          3HG2      VAL  13   7.964  -0.560  -6.959
  101   HG22  VAL  13          1HG2      VAL  13   8.970  -0.936  -8.358
  102   HG23  VAL  13          2HG2      VAL  13   7.281  -1.439  -8.327
  103    H    SER  14           H        SER  14  10.638  -2.995  -4.381
  104    HA   SER  14           HA       SER  14  10.594  -5.831  -4.463
  105    HB2  SER  14           1HB      SER  14  12.283  -3.831  -2.965
  106    HB3  SER  14           2HB      SER  14  12.494  -5.569  -2.752
  107    HG   SER  14           HG       SER  14  12.806  -5.678  -5.057
  108    H    LYS  15           H        LYS  15   9.606  -3.452  -2.084
  109    HA   LYS  15           HA       LYS  15   9.265  -5.260   0.079
  110    HB2  LYS  15           1HB      LYS  15   8.529  -2.449  -0.510
  111    HB3  LYS  15           2HB      LYS  15   7.565  -3.269   0.712
  112    HG2  LYS  15           1HG      LYS  15   9.458  -2.003   1.652
  113    HG3  LYS  15           2HG      LYS  15   9.525  -3.727   2.027
  114    HD2  LYS  15           1HD      LYS  15  11.265  -4.106   0.509
  115    HD3  LYS  15           2HD      LYS  15  10.974  -2.588  -0.342
  116    HE2  LYS  15           1HE      LYS  15  11.712  -1.364   1.676
  117    HE3  LYS  15           2HE      LYS  15  12.087  -2.907   2.443
  118    HZ1  LYS  15           3HZ      LYS  15  13.579  -1.426   0.481
  119    HZ2  LYS  15           1HZ      LYS  15  13.406  -3.064   0.088
  120    HZ3  LYS  15           2HZ      LYS  15  14.100  -2.616   1.564
  121    H    CYS  16           H        CYS  16   7.333  -4.409  -2.667
  122    HA   CYS  16           HA       CYS  16   4.773  -5.021  -1.833
  123    HB2  CYS  16           1HB      CYS  16   5.213  -4.108  -4.038
  124    HB3  CYS  16           2HB      CYS  16   6.071  -5.572  -4.508
  125    H    GLN  17           H        GLN  17   7.427  -7.168  -2.585
  126    HA   GLN  17           HA       GLN  17   6.071  -9.573  -2.908
  127    HB2  GLN  17           1HB      GLN  17   8.732  -9.204  -1.525
  128    HB3  GLN  17           2HB      GLN  17   8.145 -10.670  -2.299
  129    HG2  GLN  17           1HG      GLN  17   8.152  -9.504  -4.463
  130    HG3  GLN  17           2HG      GLN  17   8.804  -8.072  -3.669
  131   HE21  GLN  17          2HE2      GLN  17  10.121  -9.238  -5.763
  132   HE22  GLN  17          1HE2      GLN  17  11.581  -9.969  -5.200
  133    H    LEU  18           H        LEU  18   6.653  -7.701  -0.051
  134    HA   LEU  18           HA       LEU  18   5.694  -9.894   1.650
  135    HB2  LEU  18           1HB      LEU  18   6.936  -7.258   2.421
  136    HB3  LEU  18           2HB      LEU  18   6.481  -8.549   3.531
  137    HG   LEU  18           HG       LEU  18   8.533  -8.949   1.370
  138   HD11  LEU  18          1HD1      LEU  18   9.525  -7.214   2.551
  139   HD12  LEU  18          2HD1      LEU  18  10.153  -8.653   3.353
  140   HD13  LEU  18          3HD1      LEU  18   8.840  -7.736   4.091
  141   HD21  LEU  18          3HD2      LEU  18   8.727 -11.001   2.207
  142   HD22  LEU  18          1HD2      LEU  18   7.257 -10.681   3.126
  143   HD23  LEU  18          2HD2      LEU  18   8.835 -10.392   3.859
  144    H    ALA  19           H        ALA  19   3.716  -9.857   2.510
  145    HA   ALA  19           HA       ALA  19   1.914  -7.718   1.817
  146    HB1  ALA  19           3HB      ALA  19   0.782  -9.690   1.666
  147    HB2  ALA  19           1HB      ALA  19   1.654 -10.423   3.013
  148    HB3  ALA  19           2HB      ALA  19   0.368  -9.255   3.324
  149    H    ASN  20           H        ASN  20   3.102  -9.146   4.857
  150    HA   ASN  20           HA       ASN  20   1.778  -7.429   6.612
  151    HB2  ASN  20           1HB      ASN  20   4.454  -8.805   6.943
  152    HB3  ASN  20           2HB      ASN  20   3.537  -8.064   8.251
  153   HD21  ASN  20          2HD2      ASN  20   4.285 -10.913   6.952
  154   HD22  ASN  20          1HD2      ASN  20   2.874 -11.827   7.352
  155    H    GLN  21           H        GLN  21   4.908  -7.095   5.005
  156    HA   GLN  21           HA       GLN  21   5.847  -4.828   6.311
  157    HB2  GLN  21           1HB      GLN  21   7.212  -6.151   4.764
  158    HB3  GLN  21           2HB      GLN  21   6.224  -5.608   3.415
  159    HG2  GLN  21           1HG      GLN  21   8.003  -4.197   3.229
  160    HG3  GLN  21           2HG      GLN  21   6.933  -3.232   4.244
  161   HE21  GLN  21          2HE2      GLN  21  10.023  -4.213   3.866
  162   HE22  GLN  21          1HE2      GLN  21  10.585  -4.067   5.493
  163    H    CYS  22           H        CYS  22   3.812  -5.062   3.408
  164    HA   CYS  22           HA       CYS  22   3.606  -2.342   2.845
  165    HB2  CYS  22           1HB      CYS  22   2.251  -4.781   2.054
  166    HB3  CYS  22           2HB      CYS  22   1.121  -3.437   2.180
  167    H    ASN  23           H        ASN  23   1.132  -4.324   4.488
  168    HA   ASN  23           HA       ASN  23  -0.452  -2.214   5.362
  169    HB2  ASN  23           1HB      ASN  23  -1.687  -3.805   6.413
  170    HB3  ASN  23           2HB      ASN  23  -0.664  -4.904   5.492
  171   HD21  ASN  23          2HD2      ASN  23  -1.348  -3.555   8.609
  172   HD22  ASN  23          1HD2      ASN  23  -0.378  -4.655   9.525
  173    H    TYR  24           H        TYR  24   2.500  -3.509   6.679
  174    HA   TYR  24           HA       TYR  24   2.327  -2.428   9.274
  175    HB2  TYR  24           1HB      TYR  24   4.425  -3.604   7.577
  176    HB3  TYR  24           2HB      TYR  24   5.013  -2.458   8.777
  177    HD1  TYR  24           HD1      TYR  24   2.146  -4.808   9.071
  178    HD2  TYR  24           HD2      TYR  24   6.093  -3.839  10.332
  179    HE1  TYR  24           HE1      TYR  24   2.019  -6.555  10.796
  180    HE2  TYR  24           HE2      TYR  24   5.976  -5.584  12.060
  181    HH   TYR  24           HH       TYR  24   4.228  -7.986  12.131
  182    H    ASP  25           H        ASP  25   3.867  -1.183   6.320
  183    HA   ASP  25           HA       ASP  25   4.588   1.304   7.565
  184    HB2  ASP  25           1HB      ASP  25   4.770   0.190   4.786
  185    HB3  ASP  25           2HB      ASP  25   5.021   1.912   5.058
  186    H    CYS  26           H        CYS  26   1.893   0.084   5.747
  187    HA   CYS  26           HA       CYS  26   0.817   2.633   5.019
  188    HB2  CYS  26           1HB      CYS  26  -0.299  -0.166   5.052
  189    HB3  CYS  26           2HB      CYS  26  -1.293   1.223   4.622
  190    H    LYS  27           H        LYS  27   0.350   0.385   7.687
  191    HA   LYS  27           HA       LYS  27  -1.772   1.987   8.842
  192    HB2  LYS  27           1HB      LYS  27  -0.357  -0.514   9.769
  193    HB3  LYS  27           2HB      LYS  27  -1.605   0.293  10.710
  194    HG2  LYS  27           1HG      LYS  27  -2.909   0.033   8.386
  195    HG3  LYS  27           2HG      LYS  27  -1.830  -1.359   8.277
  196    HD2  LYS  27           1HD      LYS  27  -3.692  -0.746  10.572
  197    HD3  LYS  27           2HD      LYS  27  -3.968  -1.955   9.315
  198    HE2  LYS  27           1HE      LYS  27  -2.943  -3.408  10.659
  199    HE3  LYS  27           2HE      LYS  27  -1.446  -2.559  10.280
  200    HZ1  LYS  27           3HZ      LYS  27  -3.117  -1.469  12.414
  201    HZ2  LYS  27           1HZ      LYS  27  -1.432  -1.498  12.269
  202    HZ3  LYS  27           2HZ      LYS  27  -2.264  -2.891  12.744
  203    H    LEU  28           H        LEU  28   1.585   2.029   8.840
  204    HA   LEU  28           HA       LEU  28   1.965   2.971  11.536
  205    HB2  LEU  28           1HB      LEU  28   3.736   1.752  10.434
  206    HB3  LEU  28           2HB      LEU  28   3.791   2.944   9.138
  207    HG   LEU  28           HG       LEU  28   4.322   3.871  11.915
  208   HD11  LEU  28          1HD1      LEU  28   6.020   2.485  12.249
  209   HD12  LEU  28          2HD1      LEU  28   6.810   3.186  10.837
  210   HD13  LEU  28          3HD1      LEU  28   5.800   1.751  10.660
  211   HD21  LEU  28          3HD2      LEU  28   6.161   5.005  10.316
  212   HD22  LEU  28          1HD2      LEU  28   4.544   5.665  10.564
  213   HD23  LEU  28          2HD2      LEU  28   4.888   4.687   9.136
  214    H    ASP  29           H        ASP  29   2.516   4.501   8.358
  215    HA   ASP  29           HA       ASP  29   2.223   7.125   9.606
  216    HB2  ASP  29           1HB      ASP  29   3.410   6.109   7.070
  217    HB3  ASP  29           2HB      ASP  29   2.785   7.756   7.075
  218    H    LYS  30           H        LYS  30   0.917   5.343   6.812
  219    HA   LYS  30           HA       LYS  30  -1.117   7.262   6.274
  220    HB2  LYS  30           1HB      LYS  30  -0.290   4.643   5.225
  221    HB3  LYS  30           2HB      LYS  30  -2.020   4.946   5.119
  222    HG2  LYS  30           1HG      LYS  30  -0.112   7.033   4.178
  223    HG3  LYS  30           2HG      LYS  30  -0.437   5.625   3.165
  224    HD2  LYS  30           1HD      LYS  30  -2.078   7.015   2.404
  225    HD3  LYS  30           2HD      LYS  30  -2.948   6.259   3.741
  226    HE2  LYS  30           1HE      LYS  30  -2.719   8.130   5.106
  227    HE3  LYS  30           2HE      LYS  30  -1.374   8.771   4.165
  228    HZ1  LYS  30           3HZ      LYS  30  -3.907   9.623   3.966
  229    HZ2  LYS  30           1HZ      LYS  30  -3.851   8.501   2.702
  230    HZ3  LYS  30           2HZ      LYS  30  -2.752   9.786   2.742
  231    H    HIS  31           H        HIS  31  -0.780   4.945   8.682
  232    HA   HIS  31           HA       HIS  31  -2.191   3.992  10.199
  233    HB2  HIS  31           1HB      HIS  31  -2.538   6.540  10.467
  234    HB3  HIS  31           2HB      HIS  31  -4.082   6.269   9.664
  235    HD1  HIS  31           HD1      HIS  31  -2.769   3.732  12.072
  236    HD2  HIS  31           HD2      HIS  31  -5.509   6.853  12.003
  237    HE1  HIS  31           HE1      HIS  31  -4.107   3.498  14.188
  238    H    ALA  32           H        ALA  32  -2.558   3.287   7.364
  239    HA   ALA  32           HA       ALA  32  -5.269   3.052   6.683
  240    HB1  ALA  32           3HB      ALA  32  -2.854   2.368   5.515
  241    HB2  ALA  32           1HB      ALA  32  -3.676   0.823   5.739
  242    HB3  ALA  32           2HB      ALA  32  -4.461   2.116   4.832
  243    H    ARG  33           H        ARG  33  -5.720   0.371   6.165
  244    HA   ARG  33           HA       ARG  33  -5.731  -0.899   8.815
  245    HB2  ARG  33           1HB      ARG  33  -7.928   0.281   8.184
  246    HB3  ARG  33           2HB      ARG  33  -8.124  -0.999   6.995
  247    HG2  ARG  33           1HG      ARG  33  -7.692  -2.543   9.084
  248    HG3  ARG  33           2HG      ARG  33  -8.267  -1.121   9.957
  249    HD2  ARG  33           1HD      ARG  33 -10.282  -2.080   9.595
  250    HD3  ARG  33           2HD      ARG  33 -10.138  -1.253   8.043
  251    HE   ARG  33           HE       ARG  33 -10.034  -3.294   7.035
  252   HH11  ARG  33          1HH1      ARG  33  -9.173  -3.670  10.387
  253   HH12  ARG  33          2HH1      ARG  33  -9.071  -5.398  10.302
  254   HH21  ARG  33          1HH2      ARG  33  -9.903  -5.568   6.910
  255   HH22  ARG  33          2HH2      ARG  33  -9.485  -6.476   8.324
  256    H    SER  34           H        SER  34  -6.087  -1.265   5.324
  257    HA   SER  34           HA       SER  34  -5.105  -4.027   5.592
  258    HB2  SER  34           1HB      SER  34  -7.628  -3.657   4.940
  259    HB3  SER  34           2HB      SER  34  -6.954  -3.297   3.351
  260    HG   SER  34           HG       SER  34  -7.395  -5.671   4.432
  261    H    GLY  35           H        GLY  35  -3.491  -1.763   5.177
  262    HA2  GLY  35           1HA      GLY  35  -2.897  -1.011   2.605
  263    HA3  GLY  35           2HA      GLY  35  -1.688  -1.195   3.866
  264    H    GLU  36           H        GLU  36  -2.304  -2.029   0.817
  265    HA   GLU  36           HA       GLU  36  -0.490  -4.277   0.918
  266    HB2  GLU  36           1HB      GLU  36  -2.978  -5.073   1.178
  267    HB3  GLU  36           2HB      GLU  36  -3.050  -4.772  -0.554
  268    HG2  GLU  36           1HG      GLU  36  -1.460  -6.416  -1.024
  269    HG3  GLU  36           2HG      GLU  36  -0.910  -6.490   0.648
  270    H    CYS  37           H        CYS  37   0.055  -5.042  -1.325
  271    HA   CYS  37           HA       CYS  37   0.040  -2.737  -3.154
  272    HB2  CYS  37           1HB      CYS  37   2.106  -3.550  -4.061
  273    HB3  CYS  37           2HB      CYS  37   2.257  -3.558  -2.305
  274    H    PHE  38           H        PHE  38  -0.438  -3.006  -5.326
  275    HA   PHE  38           HA       PHE  38  -0.978  -5.542  -6.499
  276    HB2  PHE  38           1HB      PHE  38  -3.437  -5.122  -6.865
  277    HB3  PHE  38           2HB      PHE  38  -2.992  -5.519  -5.208
  278    HD1  PHE  38           HD1      PHE  38  -3.091  -3.844  -3.456
  279    HD2  PHE  38           HD2      PHE  38  -4.231  -2.929  -7.453
  280    HE1  PHE  38           HE1      PHE  38  -4.198  -1.794  -2.667
  281    HE2  PHE  38           HE2      PHE  38  -5.339  -0.876  -6.671
  282    HZ   PHE  38           HZ       PHE  38  -5.325  -0.307  -4.275
  283    H    TYR  39           H        TYR  39  -1.849  -5.326  -8.720
  284    HA   TYR  39           HA       TYR  39  -0.481  -3.371 -10.170
  285    HB2  TYR  39           1HB      TYR  39  -1.845  -4.144 -12.106
  286    HB3  TYR  39           2HB      TYR  39  -1.110  -5.464 -11.203
  287    HD1  TYR  39           HD2      TYR  39  -4.268  -3.738 -11.968
  288    HD2  TYR  39           HD1      TYR  39  -2.460  -7.059 -10.019
  289    HE1  TYR  39           HE2      TYR  39  -6.478  -4.785 -11.715
  290    HE2  TYR  39           HE1      TYR  39  -4.666  -8.116  -9.761
  291    HH   TYR  39           HH       TYR  39  -7.556  -6.710 -11.203
  292    H    ASP  40           H        ASP  40  -1.021  -1.420 -11.007
  293    HA   ASP  40           HA       ASP  40  -3.538  -0.247 -10.059
  294    HB2  ASP  40           1HB      ASP  40  -0.944   0.698  -9.943
  295    HB3  ASP  40           2HB      ASP  40  -1.626   1.577 -11.309
  296    H    GLU  41           H        GLU  41  -3.863   1.849 -11.757
  297    HA   GLU  41           HA       GLU  41  -5.099   0.619 -13.996
  298    HB2  GLU  41           1HB      GLU  41  -5.775   2.834 -14.639
  299    HB3  GLU  41           2HB      GLU  41  -5.914   2.700 -12.892
  300    HG2  GLU  41           1HG      GLU  41  -3.597   3.769 -12.807
  301    HG3  GLU  41           2HG      GLU  41  -3.870   4.187 -14.497
  302    H    LYS  42           H        LYS  42  -1.953   1.860 -13.435
  303    HA   LYS  42           HA       LYS  42  -1.369   2.140 -16.281
  304    HB2  LYS  42           1HB      LYS  42   0.234   2.718 -13.792
  305    HB3  LYS  42           2HB      LYS  42   0.916   2.822 -15.410
  306    HG2  LYS  42           1HG      LYS  42  -0.878   4.479 -15.963
  307    HG3  LYS  42           2HG      LYS  42  -1.317   4.471 -14.253
  308    HD2  LYS  42           1HD      LYS  42   0.123   6.299 -14.452
  309    HD3  LYS  42           2HD      LYS  42   1.158   5.015 -13.824
  310    HE2  LYS  42           1HE      LYS  42   2.468   5.862 -15.514
  311    HE3  LYS  42           2HE      LYS  42   1.630   4.556 -16.351
  312    HZ1  LYS  42           3HZ      LYS  42   0.597   5.991 -17.685
  313    HZ2  LYS  42           1HZ      LYS  42   1.727   7.137 -17.164
  314    HZ3  LYS  42           2HZ      LYS  42   0.209   7.050 -16.425
  315    H    ARG  43           H        ARG  43  -1.890  -0.454 -14.760
  316    HA   ARG  43           HA       ARG  43  -1.132  -2.600 -14.758
  317    HB2  ARG  43           1HB      ARG  43   0.351  -1.481 -17.133
  318    HB3  ARG  43           2HB      ARG  43   0.447  -3.177 -16.676
  319    HG2  ARG  43           1HG      ARG  43  -1.212  -3.219 -18.258
  320    HG3  ARG  43           2HG      ARG  43  -2.153  -3.065 -16.772
  321    HD2  ARG  43           1HD      ARG  43  -2.439  -0.715 -17.120
  322    HD3  ARG  43           2HD      ARG  43  -1.310  -0.727 -18.474
  323    HE   ARG  43           HE       ARG  43  -3.463  -2.490 -18.974
  324   HH11  ARG  43          1HH1      ARG  43  -2.672   0.898 -18.840
  325   HH12  ARG  43          2HH1      ARG  43  -3.892   1.361 -19.978
  326   HH21  ARG  43          1HH2      ARG  43  -5.074  -1.892 -20.475
  327   HH22  ARG  43          2HH2      ARG  43  -5.259  -0.226 -20.907
  328    H    ASN  44           H        ASN  44   0.325  -0.494 -13.220
  329    HA   ASN  44           HA       ASN  44   2.959  -1.795 -13.025
  330    HB2  ASN  44           1HB      ASN  44   2.329   0.903 -13.242
  331    HB3  ASN  44           2HB      ASN  44   2.671   0.689 -11.528
  332   HD21  ASN  44          2HD2      ASN  44   4.021  -0.750 -14.476
  333   HD22  ASN  44          1HD2      ASN  44   5.661  -0.328 -14.134
  334    H    LEU  45           H        LEU  45   3.726  -2.491 -11.041
  335    HA   LEU  45           HA       LEU  45   1.663  -2.995  -9.044
  336    HB2  LEU  45           1HB      LEU  45   4.481  -4.005  -8.920
  337    HB3  LEU  45           2HB      LEU  45   3.024  -4.704  -8.217
  338    HG   LEU  45           HG       LEU  45   3.714  -4.660 -11.154
  339   HD11  LEU  45          1HD1      LEU  45   5.071  -6.163  -9.619
  340   HD12  LEU  45          2HD1      LEU  45   4.247  -6.938 -10.972
  341   HD13  LEU  45          3HD1      LEU  45   3.572  -7.053  -9.346
  342   HD21  LEU  45          3HD2      LEU  45   1.693  -6.536 -10.439
  343   HD22  LEU  45          1HD2      LEU  45   1.597  -5.176 -11.558
  344   HD23  LEU  45          2HD2      LEU  45   1.224  -4.940  -9.850
  345    H    GLN  46           H        GLN  46   1.503  -1.875  -7.219
  346    HA   GLN  46           HA       GLN  46   3.867  -0.693  -6.005
  347    HB2  GLN  46           1HB      GLN  46   1.444   1.011  -6.589
  348    HB3  GLN  46           2HB      GLN  46   2.966   1.529  -5.876
  349    HG2  GLN  46           1HG      GLN  46   4.091   0.947  -8.016
  350    HG3  GLN  46           2HG      GLN  46   2.501   0.626  -8.706
  351   HE21  GLN  46          2HE2      GLN  46   3.026   2.276 -10.246
  352   HE22  GLN  46          1HE2      GLN  46   2.820   3.941  -9.835
  353    H    CYS  47           H        CYS  47   3.332   0.280  -3.841
  354    HA   CYS  47           HA       CYS  47   1.444  -1.485  -2.482
  355    HB2  CYS  47           1HB      CYS  47   3.825  -1.228  -1.692
  356    HB3  CYS  47           2HB      CYS  47   3.427   0.427  -1.240
  357    H    ILE  48           H        ILE  48  -0.568  -0.754  -2.305
  358    HA   ILE  48           HA       ILE  48  -1.012   2.125  -1.925
  359    HB   ILE  48           HB       ILE  48  -3.059   0.024  -2.637
  360   HG12  ILE  48          1HG1      ILE  48  -2.823   1.450  -4.892
  361   HG13  ILE  48          2HG1      ILE  48  -1.175   1.617  -4.298
  362   HG21  ILE  48          1HG2      ILE  48  -3.887   2.097  -1.546
  363   HG22  ILE  48          2HG2      ILE  48  -3.195   3.024  -2.876
  364   HG23  ILE  48          3HG2      ILE  48  -4.492   1.870  -3.187
  365   HD11  ILE  48          3HD1      ILE  48  -2.441  -0.614  -5.586
  366   HD12  ILE  48          1HD1      ILE  48  -0.737  -0.339  -5.232
  367   HD13  ILE  48          2HD1      ILE  48  -1.780  -1.087  -4.022
  368    H    CYS  49           H        CYS  49  -2.112   2.922  -0.183
  369    HA   CYS  49           HA       CYS  49  -2.687   0.997   1.970
  370    HB2  CYS  49           1HB      CYS  49  -2.132   3.942   2.326
  371    HB3  CYS  49           2HB      CYS  49  -2.137   2.687   3.560
  372    H    ASP  50           H        ASP  50  -4.664   0.945   2.882
  373    HA   ASP  50           HA       ASP  50  -6.629   2.945   1.972
  374    HB2  ASP  50           1HB      ASP  50  -7.273   0.078   2.664
  375    HB3  ASP  50           2HB      ASP  50  -8.313   1.257   1.869
  376    H    TYR  51           H        TYR  51  -7.388   4.163   3.557
  377    HA   TYR  51           HA       TYR  51  -7.369   3.084   6.297
  378    HB2  TYR  51           1HB      TYR  51  -5.904   5.003   6.065
  379    HB3  TYR  51           2HB      TYR  51  -7.198   5.946   5.334
  380    HD1  TYR  51           HD2      TYR  51  -7.365   3.736   8.321
  381    HD2  TYR  51           HD1      TYR  51  -7.487   7.720   6.832
  382    HE1  TYR  51           HE2      TYR  51  -8.028   4.541  10.548
  383    HE2  TYR  51           HE1      TYR  51  -8.150   8.536   9.056
  384    HH   TYR  51           HH       TYR  51  -9.429   7.286  11.168
  385    H    CYS  52           H        CYS  52  -9.269   2.685   7.196
  386    HA   CYS  52           HA       CYS  52 -11.608   4.248   6.339
  387    HB2  CYS  52           1HB      CYS  52 -11.416   1.847   5.364
  388    HB3  CYS  52           2HB      CYS  52 -11.849   1.325   6.988
  389    H    GLU  53           H        GLU  53 -13.150   4.661   7.914
  390    HA   GLU  53           HA       GLU  53 -12.331   3.980  10.662
  391    HB2  GLU  53           1HB      GLU  53 -13.672   6.073  11.265
  392    HB3  GLU  53           2HB      GLU  53 -12.124   6.312  10.468
  393    HG2  GLU  53           1HG      GLU  53 -13.080   7.029   8.513
  394    HG3  GLU  53           2HG      GLU  53 -14.590   6.169   8.810
  395    H    TYR  54           H        TYR  54 -13.576   2.410  11.435
  396    HA   TYR  54           HA       TYR  54 -16.103   1.696  10.448
  397    HB2  TYR  54           1HB      TYR  54 -16.277   0.364  12.590
  398    HB3  TYR  54           2HB      TYR  54 -14.840   0.051  11.623
  399    HD1  TYR  54           HD1      TYR  54 -16.044   1.989  14.562
  400    HD2  TYR  54           HD2      TYR  54 -12.713   0.239  12.576
  401    HE1  TYR  54           HE1      TYR  54 -14.632   2.471  16.518
  402    HE2  TYR  54           HE2      TYR  54 -11.292   0.715  14.526
  403    HH   TYR  54           HH       TYR  54 -11.585   2.696  16.574
  Start of MODEL   13
    1    H1   ASP   2           H        ASP   2 -17.902   3.960   5.824
    2    HA   ASP   2           HA       ASP   2 -17.001   5.259   3.382
    3    HB2  ASP   2           1HB      ASP   2 -17.077   6.595   6.068
    4    HB3  ASP   2           2HB      ASP   2 -17.336   7.294   4.472
    5    H    CYS   3           H        CYS   3 -14.966   4.622   2.890
    6    HA   CYS   3           HA       CYS   3 -12.879   5.280   4.849
    7    HB2  CYS   3           1HB      CYS   3 -12.707   2.861   3.055
    8    HB3  CYS   3           2HB      CYS   3 -11.659   3.284   4.404
    9    H    LYS   4           H        LYS   4 -10.651   5.218   3.684
   10    HA   LYS   4           HA       LYS   4 -10.920   6.337   0.976
   11    HB2  LYS   4           1HB      LYS   4  -8.965   7.875   1.702
   12    HB3  LYS   4           2HB      LYS   4 -10.600   8.292   2.200
   13    HG2  LYS   4           1HG      LYS   4 -10.225   7.523   4.405
   14    HG3  LYS   4           2HG      LYS   4  -8.708   6.745   3.948
   15    HD2  LYS   4           1HD      LYS   4  -8.173   8.773   5.092
   16    HD3  LYS   4           2HD      LYS   4  -7.811   9.011   3.381
   17    HE2  LYS   4           1HE      LYS   4 -10.234   9.959   3.285
   18    HE3  LYS   4           2HE      LYS   4 -10.040  10.138   5.027
   19    HZ1  LYS   4           3HZ      LYS   4  -8.754  11.910   4.741
   20    HZ2  LYS   4           1HZ      LYS   4  -9.206  11.902   3.111
   21    HZ3  LYS   4           2HZ      LYS   4  -7.781  11.132   3.596
   22    H    ARG   5           H        ARG   5  -8.929   6.273  -0.289
   23    HA   ARG   5           HA       ARG   5  -6.858   4.454   0.656
   24    HB2  ARG   5           1HB      ARG   5  -7.033   3.115  -1.468
   25    HB3  ARG   5           2HB      ARG   5  -8.355   2.883  -0.331
   26    HG2  ARG   5           1HG      ARG   5  -9.446   3.043  -2.357
   27    HG3  ARG   5           2HG      ARG   5  -9.563   4.688  -1.730
   28    HD2  ARG   5           1HD      ARG   5  -8.324   5.523  -3.394
   29    HD3  ARG   5           2HD      ARG   5  -7.139   4.225  -3.276
   30    HE   ARG   5           HE       ARG   5  -9.313   3.074  -4.467
   31   HH11  ARG   5          1HH1      ARG   5  -7.279   5.815  -5.150
   32   HH12  ARG   5          2HH1      ARG   5  -7.480   5.701  -6.867
   33   HH21  ARG   5          1HH2      ARG   5  -9.584   2.914  -6.726
   34   HH22  ARG   5          2HH2      ARG   5  -8.792   4.051  -7.763
   35    H    LYS   6           H        LYS   6  -4.894   4.665  -0.420
   36    HA   LYS   6           HA       LYS   6  -4.680   6.418  -2.714
   37    HB2  LYS   6           1HB      LYS   6  -4.670   8.083  -0.990
   38    HB3  LYS   6           2HB      LYS   6  -3.535   7.153  -0.019
   39    HG2  LYS   6           1HG      LYS   6  -1.734   7.701  -1.361
   40    HG3  LYS   6           2HG      LYS   6  -2.757   8.097  -2.745
   41    HD2  LYS   6           1HD      LYS   6  -3.288  10.181  -1.924
   42    HD3  LYS   6           2HD      LYS   6  -3.003   9.710  -0.247
   43    HE2  LYS   6           1HE      LYS   6  -0.712   9.965  -0.431
   44    HE3  LYS   6           2HE      LYS   6  -0.727   9.764  -2.182
   45    HZ1  LYS   6           3HZ      LYS   6  -2.113  11.973  -2.035
   46    HZ2  LYS   6           1HZ      LYS   6  -0.421  11.998  -2.038
   47    HZ3  LYS   6           2HZ      LYS   6  -1.267  12.153  -0.581
   48    H    VAL   7           H        VAL   7  -2.905   5.990  -3.935
   49    HA   VAL   7           HA       VAL   7  -1.215   3.778  -3.035
   50    HB   VAL   7           HB       VAL   7  -2.235   3.447  -5.192
   51   HG11  VAL   7          1HG1      VAL   7  -1.655   4.955  -7.099
   52   HG12  VAL   7          2HG1      VAL   7  -2.683   5.696  -5.871
   53   HG13  VAL   7          3HG1      VAL   7  -0.962   6.077  -5.928
   54   HG21  VAL   7          3HG2      VAL   7  -0.244   3.061  -6.568
   55   HG22  VAL   7          1HG2      VAL   7   0.699   4.085  -5.484
   56   HG23  VAL   7          2HG2      VAL   7   0.020   2.568  -4.895
   57    H    TYR   8           H        TYR   8   0.977   3.907  -2.840
   58    HA   TYR   8           HA       TYR   8   2.198   6.555  -3.269
   59    HB2  TYR   8           1HB      TYR   8   1.803   5.364  -0.820
   60    HB3  TYR   8           2HB      TYR   8   3.457   4.901  -1.201
   61    HD1  TYR   8           HD2      TYR   8   4.619   7.156  -2.504
   62    HD2  TYR   8           HD1      TYR   8   1.803   7.111   0.685
   63    HE1  TYR   8           HE2      TYR   8   5.409   9.371  -1.782
   64    HE2  TYR   8           HE1      TYR   8   2.585   9.325   1.415
   65    HH   TYR   8           HH       TYR   8   3.799  11.373   0.101
   66    H    GLU   9           H        GLU   9   2.939   5.862  -5.324
   67    HA   GLU   9           HA       GLU   9   4.423   3.539  -5.810
   68    HB2  GLU   9           1HB      GLU   9   5.258   4.733  -7.821
   69    HB3  GLU   9           2HB      GLU   9   3.512   4.820  -7.640
   70    HG2  GLU   9           1HG      GLU   9   3.644   7.072  -6.837
   71    HG3  GLU   9           2HG      GLU   9   5.406   7.000  -6.798
   72    H    ASN  10           H        ASN  10   5.268   6.442  -4.193
   73    HA   ASN  10           HA       ASN  10   8.019   6.578  -4.626
   74    HB2  ASN  10           1HB      ASN  10   6.336   8.115  -3.264
   75    HB3  ASN  10           2HB      ASN  10   6.949   7.177  -1.905
   76   HD21  ASN  10          2HD2      ASN  10   8.033   9.059  -4.696
   77   HD22  ASN  10          1HD2      ASN  10   9.441   9.707  -3.933
   78    H    TYR  11           H        TYR  11   6.151   4.316  -2.824
   79    HA   TYR  11           HA       TYR  11   8.243   3.409  -1.102
   80    HB2  TYR  11           1HB      TYR  11   5.497   2.477  -1.802
   81    HB3  TYR  11           2HB      TYR  11   6.593   1.331  -1.041
   82    HD1  TYR  11           HD1      TYR  11   8.031   2.835   0.922
   83    HD2  TYR  11           HD2      TYR  11   3.960   3.223  -0.253
   84    HE1  TYR  11           HE1      TYR  11   7.491   3.780   3.128
   85    HE2  TYR  11           HE2      TYR  11   3.409   4.169   1.950
   86    HH   TYR  11           HH       TYR  11   5.898   4.965   4.283
   87    HA   PRO  12           HA       PRO  12  10.465   0.680  -3.723
   88    HB2  PRO  12           1HB      PRO  12  11.128  -1.302  -1.989
   89    HB3  PRO  12           2HB      PRO  12  11.869   0.303  -1.944
   90    HG2  PRO  12           1HG      PRO  12   9.655  -0.810  -0.264
   91    HG3  PRO  12           2HG      PRO  12  11.046   0.174   0.228
   92    HD2  PRO  12           1HD      PRO  12   8.574   1.220  -0.127
   93    HD3  PRO  12           2HD      PRO  12  10.056   2.140  -0.456
   94    H    VAL  13           H        VAL  13   9.611  -0.554  -5.267
   95    HA   VAL  13           HA       VAL  13   7.267  -2.110  -4.919
   96    HB   VAL  13           HB       VAL  13   9.251  -2.302  -7.187
   97   HG11  VAL  13          1HG1      VAL  13   7.770  -4.093  -7.397
   98   HG12  VAL  13          2HG1      VAL  13   6.395  -3.146  -6.825
   99   HG13  VAL  13          3HG1      VAL  13   7.068  -2.847  -8.428
  100   HG21  VAL  13          3HG2      VAL  13   8.765  -0.085  -7.352
  101   HG22  VAL  13          1HG2      VAL  13   7.355  -0.729  -8.193
  102   HG23  VAL  13          2HG2      VAL  13   7.228  -0.245  -6.502
  103    H    SER  14           H        SER  14  10.544  -2.737  -4.281
  104    HA   SER  14           HA       SER  14  10.591  -5.536  -4.767
  105    HB2  SER  14           1HB      SER  14  12.310  -4.189  -2.700
  106    HB3  SER  14           2HB      SER  14  12.712  -5.531  -3.772
  107    HG   SER  14           HG       SER  14  13.642  -3.926  -4.820
  108    H    LYS  15           H        LYS  15   9.519  -3.551  -2.118
  109    HA   LYS  15           HA       LYS  15   9.327  -5.765  -0.266
  110    HB2  LYS  15           1HB      LYS  15   8.791  -2.834  -0.163
  111    HB3  LYS  15           2HB      LYS  15   7.966  -3.863   1.001
  112    HG2  LYS  15           1HG      LYS  15  10.037  -2.937   1.903
  113    HG3  LYS  15           2HG      LYS  15  10.093  -4.699   1.810
  114    HD2  LYS  15           1HD      LYS  15  11.417  -4.580  -0.217
  115    HD3  LYS  15           2HD      LYS  15  11.292  -2.820  -0.224
  116    HE2  LYS  15           1HE      LYS  15  12.441  -2.817   2.000
  117    HE3  LYS  15           2HE      LYS  15  12.704  -4.549   1.801
  118    HZ1  LYS  15           3HZ      LYS  15  13.732  -3.773  -0.454
  119    HZ2  LYS  15           1HZ      LYS  15  14.644  -3.716   0.971
  120    HZ3  LYS  15           2HZ      LYS  15  13.931  -2.306   0.365
  121    H    CYS  16           H        CYS  16   7.464  -4.540  -2.787
  122    HA   CYS  16           HA       CYS  16   4.846  -4.743  -1.943
  123    HB2  CYS  16           1HB      CYS  16   5.323  -3.927  -4.144
  124    HB3  CYS  16           2HB      CYS  16   6.086  -5.446  -4.605
  125    H    GLN  17           H        GLN  17   7.066  -7.311  -2.892
  126    HA   GLN  17           HA       GLN  17   5.285  -9.440  -3.035
  127    HB2  GLN  17           1HB      GLN  17   7.259 -10.865  -2.453
  128    HB3  GLN  17           2HB      GLN  17   7.548  -9.731  -3.766
  129    HG2  GLN  17           1HG      GLN  17   8.395  -8.233  -1.729
  130    HG3  GLN  17           2HG      GLN  17   8.704  -9.830  -1.051
  131   HE21  GLN  17          2HE2      GLN  17   8.962  -8.482  -4.322
  132   HE22  GLN  17          1HE2      GLN  17  10.615  -8.925  -4.560
  133    H    LEU  18           H        LEU  18   6.708  -7.861  -0.253
  134    HA   LEU  18           HA       LEU  18   5.897  -9.851   1.636
  135    HB2  LEU  18           1HB      LEU  18   7.065  -7.121   1.764
  136    HB3  LEU  18           2HB      LEU  18   6.278  -7.756   3.208
  137    HG   LEU  18           HG       LEU  18   8.816  -8.030   2.989
  138   HD11  LEU  18          1HD1      LEU  18   8.773 -10.056   4.218
  139   HD12  LEU  18          2HD1      LEU  18   7.251 -10.552   3.479
  140   HD13  LEU  18          3HD1      LEU  18   7.282  -9.196   4.607
  141   HD21  LEU  18          3HD2      LEU  18   9.575  -9.964   1.739
  142   HD22  LEU  18          1HD2      LEU  18   8.798  -8.808   0.657
  143   HD23  LEU  18          2HD2      LEU  18   7.935 -10.262   1.161
  144    H    ALA  19           H        ALA  19   4.030 -10.051   2.715
  145    HA   ALA  19           HA       ALA  19   1.861  -8.224   2.036
  146    HB1  ALA  19           3HB      ALA  19   0.671 -10.103   3.555
  147    HB2  ALA  19           1HB      ALA  19   0.931 -10.265   1.817
  148    HB3  ALA  19           2HB      ALA  19   2.054 -11.017   2.951
  149    H    ASN  20           H        ASN  20   3.868  -9.123   4.728
  150    HA   ASN  20           HA       ASN  20   2.187  -7.715   6.643
  151    HB2  ASN  20           1HB      ASN  20   3.754  -8.500   8.325
  152    HB3  ASN  20           2HB      ASN  20   3.295  -9.842   7.281
  153   HD21  ASN  20          2HD2      ASN  20   5.839  -7.990   8.531
  154   HD22  ASN  20          1HD2      ASN  20   7.128  -8.722   7.642
  155    H    GLN  21           H        GLN  21   4.770  -7.051   4.548
  156    HA   GLN  21           HA       GLN  21   5.931  -4.929   6.124
  157    HB2  GLN  21           1HB      GLN  21   7.289  -6.270   4.548
  158    HB3  GLN  21           2HB      GLN  21   6.347  -5.624   3.210
  159    HG2  GLN  21           1HG      GLN  21   8.119  -4.221   3.114
  160    HG3  GLN  21           2HG      GLN  21   7.118  -3.322   4.254
  161   HE21  GLN  21          2HE2      GLN  21   8.248  -2.526   5.859
  162   HE22  GLN  21          1HE2      GLN  21   9.604  -3.271   6.627
  163    H    CYS  22           H        CYS  22   3.807  -5.206   3.307
  164    HA   CYS  22           HA       CYS  22   3.617  -2.484   2.688
  165    HB2  CYS  22           1HB      CYS  22   2.377  -4.909   1.850
  166    HB3  CYS  22           2HB      CYS  22   1.107  -3.733   2.170
  167    H    ASN  23           H        ASN  23   1.191  -4.450   4.419
  168    HA   ASN  23           HA       ASN  23  -0.389  -2.337   5.291
  169    HB2  ASN  23           1HB      ASN  23  -1.575  -3.911   6.433
  170    HB3  ASN  23           2HB      ASN  23  -0.599  -5.013   5.466
  171   HD21  ASN  23          2HD2      ASN  23   0.727  -6.395   6.463
  172   HD22  ASN  23          1HD2      ASN  23   1.018  -6.431   8.165
  173    H    TYR  24           H        TYR  24   2.615  -3.564   6.545
  174    HA   TYR  24           HA       TYR  24   2.463  -2.364   9.114
  175    HB2  TYR  24           1HB      TYR  24   4.009  -4.151   8.836
  176    HB3  TYR  24           2HB      TYR  24   4.774  -3.371   7.456
  177    HD1  TYR  24           HD1      TYR  24   4.242  -3.011  11.119
  178    HD2  TYR  24           HD2      TYR  24   6.652  -2.014   7.758
  179    HE1  TYR  24           HE1      TYR  24   5.909  -2.002  12.621
  180    HE2  TYR  24           HE2      TYR  24   8.326  -1.003   9.251
  181    HH   TYR  24           HH       TYR  24   7.986   0.065  11.940
  182    H    ASP  25           H        ASP  25   3.847  -1.344   6.022
  183    HA   ASP  25           HA       ASP  25   4.867   1.125   7.083
  184    HB2  ASP  25           1HB      ASP  25   4.466   0.317   4.196
  185    HB3  ASP  25           2HB      ASP  25   5.467   1.642   4.783
  186    H    CYS  26           H        CYS  26   1.921   0.043   5.586
  187    HA   CYS  26           HA       CYS  26   0.957   2.682   4.967
  188    HB2  CYS  26           1HB      CYS  26  -0.284  -0.062   4.942
  189    HB3  CYS  26           2HB      CYS  26  -1.248   1.384   4.663
  190    H    LYS  27           H        LYS  27   0.104   0.205   7.378
  191    HA   LYS  27           HA       LYS  27  -1.743   1.853   8.766
  192    HB2  LYS  27           1HB      LYS  27  -0.251  -0.597   9.724
  193    HB3  LYS  27           2HB      LYS  27  -1.641   0.127  10.521
  194    HG2  LYS  27           1HG      LYS  27  -3.087  -0.474   8.746
  195    HG3  LYS  27           2HG      LYS  27  -1.733  -0.914   7.703
  196    HD2  LYS  27           1HD      LYS  27  -2.373  -2.993   8.412
  197    HD3  LYS  27           2HD      LYS  27  -1.212  -2.590   9.679
  198    HE2  LYS  27           1HE      LYS  27  -2.927  -2.023  11.202
  199    HE3  LYS  27           2HE      LYS  27  -4.151  -2.003   9.932
  200    HZ1  LYS  27           3HZ      LYS  27  -3.716  -4.430   9.661
  201    HZ2  LYS  27           1HZ      LYS  27  -4.411  -4.004  11.144
  202    HZ3  LYS  27           2HZ      LYS  27  -2.761  -4.369  11.056
  203    H    LEU  28           H        LEU  28   1.620   1.876   8.625
  204    HA   LEU  28           HA       LEU  28   2.120   2.769  11.313
  205    HB2  LEU  28           1HB      LEU  28   3.911   1.646  10.303
  206    HB3  LEU  28           2HB      LEU  28   3.771   2.583   8.817
  207    HG   LEU  28           HG       LEU  28   4.626   4.563  10.016
  208   HD11  LEU  28          1HD1      LEU  28   4.225   2.830  12.299
  209   HD12  LEU  28          2HD1      LEU  28   4.468   4.575  12.233
  210   HD13  LEU  28          3HD1      LEU  28   5.860   3.491  12.252
  211   HD21  LEU  28          3HD2      LEU  28   6.227   3.333   8.785
  212   HD22  LEU  28          1HD2      LEU  28   6.295   2.061  10.003
  213   HD23  LEU  28          2HD2      LEU  28   6.960   3.655  10.357
  214    H    ASP  29           H        ASP  29   2.545   4.373   8.153
  215    HA   ASP  29           HA       ASP  29   2.294   6.966   9.472
  216    HB2  ASP  29           1HB      ASP  29   3.438   5.997   6.913
  217    HB3  ASP  29           2HB      ASP  29   2.743   7.615   6.899
  218    H    LYS  30           H        LYS  30   0.879   5.226   6.707
  219    HA   LYS  30           HA       LYS  30  -1.163   7.156   6.259
  220    HB2  LYS  30           1HB      LYS  30  -0.383   4.550   5.157
  221    HB3  LYS  30           2HB      LYS  30  -2.118   4.838   5.136
  222    HG2  LYS  30           1HG      LYS  30  -0.343   7.001   4.147
  223    HG3  LYS  30           2HG      LYS  30  -0.550   5.566   3.140
  224    HD2  LYS  30           1HD      LYS  30  -2.291   6.830   2.370
  225    HD3  LYS  30           2HD      LYS  30  -3.102   5.986   3.690
  226    HE2  LYS  30           1HE      LYS  30  -3.280   7.857   4.954
  227    HE3  LYS  30           2HE      LYS  30  -1.742   8.512   4.392
  228    HZ1  LYS  30           3HZ      LYS  30  -4.140   9.449   3.658
  229    HZ2  LYS  30           1HZ      LYS  30  -3.817   8.386   2.383
  230    HZ3  LYS  30           2HZ      LYS  30  -2.731   9.631   2.741
  231    H    HIS  31           H        HIS  31  -0.745   4.852   8.655
  232    HA   HIS  31           HA       HIS  31  -2.099   3.903  10.226
  233    HB2  HIS  31           1HB      HIS  31  -3.722   6.384   9.633
  234    HB3  HIS  31           2HB      HIS  31  -3.944   5.348  11.038
  235    HD1  HIS  31           HD1      HIS  31  -2.165   8.287   9.933
  236    HD2  HIS  31           HD2      HIS  31  -1.515   5.286  12.731
  237    HE1  HIS  31           HE1      HIS  31  -0.417   9.194  11.498
  238    H    ALA  32           H        ALA  32  -2.575   3.226   7.379
  239    HA   ALA  32           HA       ALA  32  -5.313   2.948   6.836
  240    HB1  ALA  32           3HB      ALA  32  -3.726   0.775   5.762
  241    HB2  ALA  32           1HB      ALA  32  -4.587   2.067   4.924
  242    HB3  ALA  32           2HB      ALA  32  -2.951   2.341   5.527
  243    H    ARG  33           H        ARG  33  -5.696   0.248   6.278
  244    HA   ARG  33           HA       ARG  33  -5.572  -1.051   8.912
  245    HB2  ARG  33           1HB      ARG  33  -7.920  -1.945   8.342
  246    HB3  ARG  33           2HB      ARG  33  -7.782  -0.290   8.922
  247    HG2  ARG  33           1HG      ARG  33  -8.641   0.540   7.048
  248    HG3  ARG  33           2HG      ARG  33  -7.593  -0.455   6.034
  249    HD2  ARG  33           1HD      ARG  33  -9.254  -2.357   6.866
  250    HD3  ARG  33           2HD      ARG  33 -10.340  -0.978   7.031
  251    HE   ARG  33           HE       ARG  33  -9.165  -0.829   4.511
  252   HH11  ARG  33          1HH1      ARG  33 -11.314  -2.923   6.276
  253   HH12  ARG  33          2HH1      ARG  33 -12.157  -3.466   4.863
  254   HH21  ARG  33          1HH2      ARG  33 -10.268  -1.536   2.643
  255   HH22  ARG  33          2HH2      ARG  33 -11.560  -2.677   2.797
  256    H    SER  34           H        SER  34  -6.011  -1.388   5.430
  257    HA   SER  34           HA       SER  34  -4.961  -4.131   5.642
  258    HB2  SER  34           1HB      SER  34  -6.995  -3.217   3.597
  259    HB3  SER  34           2HB      SER  34  -6.414  -4.862   3.862
  260    HG   SER  34           HG       SER  34  -8.149  -3.308   5.437
  261    H    GLY  35           H        GLY  35  -3.376  -1.846   5.272
  262    HA2  GLY  35           1HA      GLY  35  -2.792  -1.005   2.732
  263    HA3  GLY  35           2HA      GLY  35  -1.572  -1.248   3.972
  264    H    GLU  36           H        GLU  36  -2.274  -1.977   0.898
  265    HA   GLU  36           HA       GLU  36  -0.421  -4.188   0.856
  266    HB2  GLU  36           1HB      GLU  36  -2.894  -5.034   1.219
  267    HB3  GLU  36           2HB      GLU  36  -3.020  -4.742  -0.509
  268    HG2  GLU  36           1HG      GLU  36  -1.518  -6.400  -1.040
  269    HG3  GLU  36           2HG      GLU  36  -0.744  -6.352   0.543
  270    H    CYS  37           H        CYS  37   0.128  -4.838  -1.380
  271    HA   CYS  37           HA       CYS  37  -0.069  -2.515  -3.168
  272    HB2  CYS  37           1HB      CYS  37   1.970  -3.224  -4.169
  273    HB3  CYS  37           2HB      CYS  37   2.198  -3.371  -2.430
  274    H    PHE  38           H        PHE  38  -0.492  -2.798  -5.394
  275    HA   PHE  38           HA       PHE  38  -1.235  -5.363  -6.444
  276    HB2  PHE  38           1HB      PHE  38  -3.302  -3.471  -5.459
  277    HB3  PHE  38           2HB      PHE  38  -3.611  -4.251  -7.007
  278    HD1  PHE  38           HD1      PHE  38  -2.822  -6.908  -6.838
  279    HD2  PHE  38           HD2      PHE  38  -4.390  -4.473  -3.720
  280    HE1  PHE  38           HE1      PHE  38  -3.611  -8.923  -5.667
  281    HE2  PHE  38           HE2      PHE  38  -5.181  -6.483  -2.543
  282    HZ   PHE  38           HZ       PHE  38  -4.790  -8.713  -3.516
  283    H    TYR  39           H        TYR  39  -1.703  -5.304  -8.706
  284    HA   TYR  39           HA       TYR  39  -0.168  -3.477 -10.156
  285    HB2  TYR  39           1HB      TYR  39  -1.170  -4.468 -12.153
  286    HB3  TYR  39           2HB      TYR  39  -0.756  -5.717 -10.986
  287    HD1  TYR  39           HD1      TYR  39  -2.542  -6.856  -9.707
  288    HD2  TYR  39           HD2      TYR  39  -3.441  -4.069 -12.794
  289    HE1  TYR  39           HE1      TYR  39  -4.847  -7.709  -9.797
  290    HE2  TYR  39           HE2      TYR  39  -5.749  -4.914 -12.892
  291    HH   TYR  39           HH       TYR  39  -7.310  -6.145 -11.725
  292    H    ASP  40           H        ASP  40  -0.574  -1.562 -11.098
  293    HA   ASP  40           HA       ASP  40  -3.150  -0.310 -10.547
  294    HB2  ASP  40           1HB      ASP  40  -0.606   0.645 -10.342
  295    HB3  ASP  40           2HB      ASP  40  -1.071   1.264 -11.923
  296    H    GLU  41           H        GLU  41  -3.615   1.451 -12.429
  297    HA   GLU  41           HA       GLU  41  -4.569  -0.086 -14.612
  298    HB2  GLU  41           1HB      GLU  41  -5.383   2.023 -15.508
  299    HB3  GLU  41           2HB      GLU  41  -5.723   1.925 -13.786
  300    HG2  GLU  41           1HG      GLU  41  -3.500   3.234 -13.532
  301    HG3  GLU  41           2HG      GLU  41  -3.753   3.640 -15.228
  302    H    LYS  42           H        LYS  42  -1.604   1.498 -14.001
  303    HA   LYS  42           HA       LYS  42  -0.892   1.528 -16.847
  304    HB2  LYS  42           1HB      LYS  42   0.447   2.739 -14.425
  305    HB3  LYS  42           2HB      LYS  42   1.153   2.755 -16.035
  306    HG2  LYS  42           1HG      LYS  42  -1.574   3.881 -15.521
  307    HG3  LYS  42           2HG      LYS  42  -0.113   4.832 -15.245
  308    HD2  LYS  42           1HD      LYS  42   0.559   4.392 -17.591
  309    HD3  LYS  42           2HD      LYS  42  -0.977   3.559 -17.842
  310    HE2  LYS  42           1HE      LYS  42  -1.314   5.738 -18.658
  311    HE3  LYS  42           2HE      LYS  42  -2.091   5.711 -17.075
  312    HZ1  LYS  42           3HZ      LYS  42  -0.907   7.572 -16.761
  313    HZ2  LYS  42           1HZ      LYS  42   0.212   7.212 -17.977
  314    HZ3  LYS  42           2HZ      LYS  42   0.377   6.520 -16.443
  315    H    ARG  43           H        ARG  43  -1.130  -0.895 -15.107
  316    HA   ARG  43           HA       ARG  43  -0.047  -2.865 -14.758
  317    HB2  ARG  43           1HB      ARG  43   1.560  -1.711 -17.026
  318    HB3  ARG  43           2HB      ARG  43   1.931  -3.287 -16.341
  319    HG2  ARG  43           1HG      ARG  43   0.571  -3.913 -18.052
  320    HG3  ARG  43           2HG      ARG  43  -0.632  -3.702 -16.779
  321    HD2  ARG  43           1HD      ARG  43  -1.451  -2.627 -18.749
  322    HD3  ARG  43           2HD      ARG  43  -0.981  -1.372 -17.603
  323    HE   ARG  43           HE       ARG  43   0.647  -0.687 -19.064
  324   HH11  ARG  43          1HH1      ARG  43  -0.529  -3.820 -20.029
  325   HH12  ARG  43          2HH1      ARG  43   0.322  -3.817 -21.539
  326   HH21  ARG  43          1HH2      ARG  43   1.771  -0.673 -21.048
  327   HH22  ARG  43          2HH2      ARG  43   1.631  -2.028 -22.117
  328    H    ASN  44           H        ASN  44   0.797  -0.371 -13.312
  329    HA   ASN  44           HA       ASN  44   3.558  -1.091 -12.624
  330    HB2  ASN  44           1HB      ASN  44   1.937   1.414 -12.183
  331    HB3  ASN  44           2HB      ASN  44   3.471   1.133 -11.364
  332   HD21  ASN  44          2HD2      ASN  44   3.723   3.243 -12.655
  333   HD22  ASN  44          1HD2      ASN  44   4.449   3.075 -14.213
  334    H    LEU  45           H        LEU  45   4.001  -2.088 -10.769
  335    HA   LEU  45           HA       LEU  45   1.837  -2.635  -8.912
  336    HB2  LEU  45           1HB      LEU  45   4.684  -3.576  -8.700
  337    HB3  LEU  45           2HB      LEU  45   3.247  -4.286  -7.966
  338    HG   LEU  45           HG       LEU  45   3.630  -4.219 -10.946
  339   HD11  LEU  45          1HD1      LEU  45   4.496  -6.516 -10.767
  340   HD12  LEU  45          2HD1      LEU  45   4.570  -6.334  -9.015
  341   HD13  LEU  45          3HD1      LEU  45   5.583  -5.326 -10.049
  342   HD21  LEU  45          3HD2      LEU  45   1.638  -5.208  -9.103
  343   HD22  LEU  45          1HD2      LEU  45   2.271  -6.500 -10.122
  344   HD23  LEU  45          2HD2      LEU  45   1.573  -5.058 -10.860
  345    H    GLN  46           H        GLN  46   1.449  -1.336  -7.256
  346    HA   GLN  46           HA       GLN  46   3.717  -0.141  -5.829
  347    HB2  GLN  46           1HB      GLN  46   1.182   1.378  -6.439
  348    HB3  GLN  46           2HB      GLN  46   2.641   1.997  -5.678
  349    HG2  GLN  46           1HG      GLN  46   2.419   1.046  -8.524
  350    HG3  GLN  46           2HG      GLN  46   2.436   2.727  -7.996
  351   HE21  GLN  46          2HE2      GLN  46   4.254   2.140  -9.783
  352   HE22  GLN  46          1HE2      GLN  46   5.829   1.984  -9.089
  353    H    CYS  47           H        CYS  47   3.132   0.617  -3.641
  354    HA   CYS  47           HA       CYS  47   1.282  -1.275  -2.412
  355    HB2  CYS  47           1HB      CYS  47   3.664  -0.918  -1.590
  356    HB3  CYS  47           2HB      CYS  47   3.125   0.648  -0.994
  357    H    ILE  48           H        ILE  48  -0.760  -0.630  -2.238
  358    HA   ILE  48           HA       ILE  48  -1.352   2.206  -1.826
  359    HB   ILE  48           HB       ILE  48  -3.256  -0.065  -2.413
  360   HG12  ILE  48          1HG1      ILE  48  -3.283   1.489  -4.631
  361   HG13  ILE  48          2HG1      ILE  48  -1.605   1.686  -4.137
  362   HG21  ILE  48          1HG2      ILE  48  -3.661   2.923  -2.421
  363   HG22  ILE  48          2HG2      ILE  48  -4.847   1.731  -2.948
  364   HG23  ILE  48          3HG2      ILE  48  -4.333   1.778  -1.261
  365   HD11  ILE  48          3HD1      ILE  48  -2.310  -1.075  -3.994
  366   HD12  ILE  48          1HD1      ILE  48  -2.756  -0.433  -5.574
  367   HD13  ILE  48          2HD1      ILE  48  -1.095  -0.282  -4.997
  368    H    CYS  49           H        CYS  49  -2.570   2.965  -0.104
  369    HA   CYS  49           HA       CYS  49  -2.900   1.079   2.137
  370    HB2  CYS  49           1HB      CYS  49  -2.419   4.040   2.440
  371    HB3  CYS  49           2HB      CYS  49  -2.299   2.788   3.673
  372    H    ASP  50           H        ASP  50  -4.865   0.913   3.022
  373    HA   ASP  50           HA       ASP  50  -6.916   2.850   2.170
  374    HB2  ASP  50           1HB      ASP  50  -7.589   0.098   3.151
  375    HB3  ASP  50           2HB      ASP  50  -8.500   1.147   2.068
  376    H    TYR  51           H        TYR  51  -7.555   4.175   3.723
  377    HA   TYR  51           HA       TYR  51  -7.361   3.281   6.518
  378    HB2  TYR  51           1HB      TYR  51  -6.048   5.285   5.962
  379    HB3  TYR  51           2HB      TYR  51  -7.511   6.091   5.406
  380    HD1  TYR  51           HD2      TYR  51  -7.027   3.989   8.439
  381    HD2  TYR  51           HD1      TYR  51  -7.755   7.883   6.886
  382    HE1  TYR  51           HE2      TYR  51  -7.429   4.816  10.719
  383    HE2  TYR  51           HE1      TYR  51  -8.159   8.721   9.162
  384    HH   TYR  51           HH       TYR  51  -8.771   7.913  11.341
  385    H    CYS  52           H        CYS  52  -9.176   2.823   7.556
  386    HA   CYS  52           HA       CYS  52 -11.719   3.783   6.446
  387    HB2  CYS  52           1HB      CYS  52 -10.890   1.349   7.942
  388    HB3  CYS  52           2HB      CYS  52 -12.518   1.955   8.231
  389    H    GLU  53           H        GLU  53 -12.914   5.227   7.507
  390    HA   GLU  53           HA       GLU  53 -12.076   5.983  10.217
  391    HB2  GLU  53           1HB      GLU  53 -12.146   7.682   8.307
  392    HB3  GLU  53           2HB      GLU  53 -13.897   7.564   8.412
  393    HG2  GLU  53           1HG      GLU  53 -13.945   8.489  10.562
  394    HG3  GLU  53           2HG      GLU  53 -12.217   8.238  10.799
  395    H    TYR  54           H        TYR  54 -13.196   4.817  11.663
  396    HA   TYR  54           HA       TYR  54 -15.858   3.910  11.257
  397    HB2  TYR  54           1HB      TYR  54 -14.265   4.111  13.821
  398    HB3  TYR  54           2HB      TYR  54 -15.750   3.189  13.606
  399    HD1  TYR  54           HD2      TYR  54 -15.704   1.345  11.778
  400    HD2  TYR  54           HD1      TYR  54 -12.209   3.082  13.472
  401    HE1  TYR  54           HE2      TYR  54 -14.393  -0.610  11.065
  402    HE2  TYR  54           HE1      TYR  54 -10.888   1.134  12.762
  403    HH   TYR  54           HH       TYR  54 -11.799  -0.984  10.513
  Start of MODEL   14
    1    H1   ASP   2           H        ASP   2 -17.731   6.338   4.033
    2    HA   ASP   2           HA       ASP   2 -16.797   4.369   2.079
    3    HB2  ASP   2           1HB      ASP   2 -17.717   6.675   1.107
    4    HB3  ASP   2           2HB      ASP   2 -16.098   7.214   1.543
    5    H    CYS   3           H        CYS   3 -14.398   4.627   1.680
    6    HA   CYS   3           HA       CYS   3 -13.060   5.505   4.155
    7    HB2  CYS   3           1HB      CYS   3 -12.075   3.255   2.409
    8    HB3  CYS   3           2HB      CYS   3 -11.606   3.641   4.062
    9    H    LYS   4           H        LYS   4 -10.597   5.722   3.750
   10    HA   LYS   4           HA       LYS   4 -10.229   7.222   1.240
   11    HB2  LYS   4           1HB      LYS   4 -10.063   8.829   2.919
   12    HB3  LYS   4           2HB      LYS   4  -9.269   7.725   4.035
   13    HG2  LYS   4           1HG      LYS   4  -7.215   8.166   3.224
   14    HG3  LYS   4           2HG      LYS   4  -7.788   8.333   1.562
   15    HD2  LYS   4           1HD      LYS   4  -8.434  10.393   3.646
   16    HD3  LYS   4           2HD      LYS   4  -6.901  10.428   2.771
   17    HE2  LYS   4           1HE      LYS   4  -9.493  10.226   1.287
   18    HE3  LYS   4           2HE      LYS   4  -8.922  11.787   1.871
   19    HZ1  LYS   4           3HZ      LYS   4  -7.559  11.912   0.149
   20    HZ2  LYS   4           1HZ      LYS   4  -8.152  10.441  -0.441
   21    HZ3  LYS   4           2HZ      LYS   4  -6.806  10.461   0.582
   22    H    ARG   5           H        ARG   5  -8.726   6.507  -0.123
   23    HA   ARG   5           HA       ARG   5  -6.539   4.843   0.923
   24    HB2  ARG   5           1HB      ARG   5  -6.740   3.417  -1.116
   25    HB3  ARG   5           2HB      ARG   5  -8.110   3.289  -0.019
   26    HG2  ARG   5           1HG      ARG   5  -9.250   3.471  -1.963
   27    HG3  ARG   5           2HG      ARG   5  -9.059   5.190  -1.617
   28    HD2  ARG   5           1HD      ARG   5  -8.492   4.722  -3.931
   29    HD3  ARG   5           2HD      ARG   5  -7.063   5.246  -3.040
   30    HE   ARG   5           HE       ARG   5  -6.111   3.232  -3.512
   31   HH11  ARG   5          1HH1      ARG   5  -9.565   2.916  -3.804
   32   HH12  ARG   5          2HH1      ARG   5  -9.498   1.285  -4.386
   33   HH21  ARG   5          1HH2      ARG   5  -6.008   1.086  -4.276
   34   HH22  ARG   5          2HH2      ARG   5  -7.474   0.244  -4.653
   35    H    LYS   6           H        LYS   6  -4.635   4.797  -0.415
   36    HA   LYS   6           HA       LYS   6  -4.404   6.544  -2.675
   37    HB2  LYS   6           1HB      LYS   6  -4.341   8.251  -0.971
   38    HB3  LYS   6           2HB      LYS   6  -3.150   7.346  -0.046
   39    HG2  LYS   6           1HG      LYS   6  -1.435   7.839  -1.532
   40    HG3  LYS   6           2HG      LYS   6  -2.552   8.258  -2.832
   41    HD2  LYS   6           1HD      LYS   6  -2.550   9.859  -0.309
   42    HD3  LYS   6           2HD      LYS   6  -1.299  10.139  -1.522
   43    HE2  LYS   6           1HE      LYS   6  -4.164  10.051  -2.354
   44    HE3  LYS   6           2HE      LYS   6  -3.533  11.502  -1.575
   45    HZ1  LYS   6           3HZ      LYS   6  -2.525  10.246  -4.070
   46    HZ2  LYS   6           1HZ      LYS   6  -1.781  11.551  -3.290
   47    HZ3  LYS   6           2HZ      LYS   6  -3.335  11.725  -3.936
   48    H    VAL   7           H        VAL   7  -2.592   6.117  -3.877
   49    HA   VAL   7           HA       VAL   7  -1.039   3.800  -3.042
   50    HB   VAL   7           HB       VAL   7  -1.939   3.737  -5.287
   51   HG11  VAL   7          1HG1      VAL   7  -2.153   6.073  -5.777
   52   HG12  VAL   7          2HG1      VAL   7  -0.403   6.298  -5.706
   53   HG13  VAL   7          3HG1      VAL   7  -1.120   5.344  -7.006
   54   HG21  VAL   7          3HG2      VAL   7   0.306   2.744  -4.804
   55   HG22  VAL   7          1HG2      VAL   7   0.040   3.163  -6.497
   56   HG23  VAL   7          2HG2      VAL   7   1.033   4.204  -5.476
   57    H    TYR   8           H        TYR   8   1.127   3.785  -2.664
   58    HA   TYR   8           HA       TYR   8   2.469   6.407  -2.635
   59    HB2  TYR   8           1HB      TYR   8   2.005   4.916  -0.467
   60    HB3  TYR   8           2HB      TYR   8   3.508   4.160  -0.982
   61    HD1  TYR   8           HD1      TYR   8   2.286   7.697  -0.881
   62    HD2  TYR   8           HD2      TYR   8   5.286   4.909   0.274
   63    HE1  TYR   8           HE1      TYR   8   3.557   9.514   0.182
   64    HE2  TYR   8           HE2      TYR   8   6.565   6.718   1.341
   65    HH   TYR   8           HH       TYR   8   5.699  10.061   0.946
   66    H    GLU   9           H        GLU   9   3.202   6.180  -4.792
   67    HA   GLU   9           HA       GLU   9   4.620   3.978  -5.790
   68    HB2  GLU   9           1HB      GLU   9   5.399   5.478  -7.543
   69    HB3  GLU   9           2HB      GLU   9   3.694   5.756  -7.215
   70    HG2  GLU   9           1HG      GLU   9   4.643   7.604  -5.606
   71    HG3  GLU   9           2HG      GLU   9   6.039   7.498  -6.678
   72    H    ASN  10           H        ASN  10   5.534   6.413  -3.564
   73    HA   ASN  10           HA       ASN  10   8.289   6.581  -3.975
   74    HB2  ASN  10           1HB      ASN  10   6.675   7.842  -2.313
   75    HB3  ASN  10           2HB      ASN  10   7.191   6.586  -1.192
   76   HD21  ASN  10          2HD2      ASN  10   8.254   9.246  -3.197
   77   HD22  ASN  10          1HD2      ASN  10   9.748   9.520  -2.374
   78    H    TYR  11           H        TYR  11   6.349   4.098  -2.487
   79    HA   TYR  11           HA       TYR  11   8.525   2.756  -1.198
   80    HB2  TYR  11           1HB      TYR  11   5.747   2.594  -1.098
   81    HB3  TYR  11           2HB      TYR  11   6.241   1.060  -1.807
   82    HD1  TYR  11           HD2      TYR  11   7.650   3.247   0.884
   83    HD2  TYR  11           HD1      TYR  11   6.259  -0.617  -0.230
   84    HE1  TYR  11           HE2      TYR  11   8.223   2.403   3.121
   85    HE2  TYR  11           HE1      TYR  11   6.827  -1.471   2.005
   86    HH   TYR  11           HH       TYR  11   7.217  -0.700   4.227
   87    HA   PRO  12           HA       PRO  12  10.187   0.578  -4.645
   88    HB2  PRO  12           1HB      PRO  12  11.376  -1.467  -3.314
   89    HB3  PRO  12           2HB      PRO  12  12.016   0.181  -3.314
   90    HG2  PRO  12           1HG      PRO  12  10.368  -1.210  -1.238
   91    HG3  PRO  12           2HG      PRO  12  11.784  -0.164  -1.026
   92    HD2  PRO  12           1HD      PRO  12   9.251   0.719  -0.657
   93    HD3  PRO  12           2HD      PRO  12  10.548   1.768  -1.265
   94    H    VAL  13           H        VAL  13   9.590  -1.033  -6.011
   95    HA   VAL  13           HA       VAL  13   7.191  -2.458  -5.507
   96    HB   VAL  13           HB       VAL  13   9.183  -3.008  -7.706
   97   HG11  VAL  13          1HG1      VAL  13   6.841  -3.484  -8.837
   98   HG12  VAL  13          2HG1      VAL  13   7.680  -4.717  -7.894
   99   HG13  VAL  13          3HG1      VAL  13   6.367  -3.789  -7.167
  100   HG21  VAL  13          3HG2      VAL  13   8.811  -0.862  -8.272
  101   HG22  VAL  13          1HG2      VAL  13   7.263  -1.474  -8.855
  102   HG23  VAL  13          2HG2      VAL  13   7.375  -0.736  -7.257
  103    H    SER  14           H        SER  14  10.437  -3.103  -4.749
  104    HA   SER  14           HA       SER  14  10.396  -5.942  -4.886
  105    HB2  SER  14           1HB      SER  14  12.177  -3.903  -3.611
  106    HB3  SER  14           2HB      SER  14  12.342  -5.595  -3.141
  107    HG   SER  14           HG       SER  14  13.231  -6.011  -5.000
  108    H    LYS  15           H        LYS  15   9.501  -3.598  -2.445
  109    HA   LYS  15           HA       LYS  15   9.232  -5.499  -0.322
  110    HB2  LYS  15           1HB      LYS  15   8.705  -2.615  -0.713
  111    HB3  LYS  15           2HB      LYS  15   7.707  -3.415   0.494
  112    HG2  LYS  15           1HG      LYS  15   9.718  -2.390   1.456
  113    HG3  LYS  15           2HG      LYS  15   9.669  -4.137   1.699
  114    HD2  LYS  15           1HD      LYS  15  11.351  -4.525   0.142
  115    HD3  LYS  15           2HD      LYS  15  11.104  -2.971  -0.657
  116    HE2  LYS  15           1HE      LYS  15  12.193  -3.307   2.136
  117    HE3  LYS  15           2HE      LYS  15  13.189  -3.095   0.696
  118    HZ1  LYS  15           3HZ      LYS  15  11.126  -1.104   1.010
  119    HZ2  LYS  15           1HZ      LYS  15  12.765  -0.916   0.634
  120    HZ3  LYS  15           2HZ      LYS  15  12.281  -1.091   2.246
  121    H    CYS  16           H        CYS  16   7.281  -4.530  -2.968
  122    HA   CYS  16           HA       CYS  16   4.699  -4.871  -2.063
  123    HB2  CYS  16           1HB      CYS  16   5.144  -4.111  -4.314
  124    HB3  CYS  16           2HB      CYS  16   5.899  -5.647  -4.727
  125    H    GLN  17           H        GLN  17   7.097  -7.309  -2.860
  126    HA   GLN  17           HA       GLN  17   5.463  -9.566  -2.941
  127    HB2  GLN  17           1HB      GLN  17   8.276  -9.457  -1.847
  128    HB3  GLN  17           2HB      GLN  17   7.457 -10.859  -2.524
  129    HG2  GLN  17           1HG      GLN  17   7.315  -9.551  -4.689
  130    HG3  GLN  17           2HG      GLN  17   8.444  -8.414  -3.955
  131   HE21  GLN  17          2HE2      GLN  17  10.432  -8.737  -4.617
  132   HE22  GLN  17          1HE2      GLN  17  11.168 -10.265  -4.941
  133    H    LEU  18           H        LEU  18   6.752  -7.772  -0.225
  134    HA   LEU  18           HA       LEU  18   6.009  -9.742   1.731
  135    HB2  LEU  18           1HB      LEU  18   7.097  -6.966   1.803
  136    HB3  LEU  18           2HB      LEU  18   6.391  -7.651   3.266
  137    HG   LEU  18           HG       LEU  18   8.931  -7.804   2.954
  138   HD11  LEU  18          1HD1      LEU  18   9.021  -9.903   4.111
  139   HD12  LEU  18          2HD1      LEU  18   7.429 -10.358   3.505
  140   HD13  LEU  18          3HD1      LEU  18   7.589  -9.024   4.648
  141   HD21  LEU  18          3HD2      LEU  18   8.837  -8.574   0.610
  142   HD22  LEU  18          1HD2      LEU  18   8.102 -10.081   1.158
  143   HD23  LEU  18          2HD2      LEU  18   9.744  -9.669   1.653
  144    H    ALA  19           H        ALA  19   4.156  -9.915   2.845
  145    HA   ALA  19           HA       ALA  19   1.957  -8.150   2.099
  146    HB1  ALA  19           3HB      ALA  19   0.687  -9.907   3.566
  147    HB2  ALA  19           1HB      ALA  19   1.215 -10.317   1.934
  148    HB3  ALA  19           2HB      ALA  19   2.152 -10.861   3.327
  149    H    ASN  20           H        ASN  20   3.961  -8.943   4.838
  150    HA   ASN  20           HA       ASN  20   2.283  -7.453   6.686
  151    HB2  ASN  20           1HB      ASN  20   3.909  -8.128   8.390
  152    HB3  ASN  20           2HB      ASN  20   3.373  -9.521   7.454
  153   HD21  ASN  20          2HD2      ASN  20   5.956  -8.339   8.895
  154   HD22  ASN  20          1HD2      ASN  20   7.212  -8.906   7.853
  155    H    GLN  21           H        GLN  21   4.918  -6.894   4.599
  156    HA   GLN  21           HA       GLN  21   6.081  -4.714   6.059
  157    HB2  GLN  21           1HB      GLN  21   7.390  -6.070   4.466
  158    HB3  GLN  21           2HB      GLN  21   6.386  -5.477   3.149
  159    HG2  GLN  21           1HG      GLN  21   8.094  -4.028   2.921
  160    HG3  GLN  21           2HG      GLN  21   7.182  -3.137   4.138
  161   HE21  GLN  21          2HE2      GLN  21   9.546  -2.319   4.221
  162   HE22  GLN  21          1HE2      GLN  21  10.534  -3.060   5.429
  163    H    CYS  22           H        CYS  22   3.894  -5.025   3.289
  164    HA   CYS  22           HA       CYS  22   3.666  -2.293   2.693
  165    HB2  CYS  22           1HB      CYS  22   2.410  -4.748   1.874
  166    HB3  CYS  22           2HB      CYS  22   1.181  -3.511   2.120
  167    H    ASN  23           H        ASN  23   1.273  -4.327   4.392
  168    HA   ASN  23           HA       ASN  23  -0.368  -2.283   5.284
  169    HB2  ASN  23           1HB      ASN  23  -1.421  -3.867   6.599
  170    HB3  ASN  23           2HB      ASN  23  -0.590  -4.899   5.439
  171   HD21  ASN  23          2HD2      ASN  23  -1.245  -4.484   8.615
  172   HD22  ASN  23          1HD2      ASN  23   0.072  -5.364   9.306
  173    H    TYR  24           H        TYR  24   2.694  -3.376   6.531
  174    HA   TYR  24           HA       TYR  24   2.524  -2.169   9.087
  175    HB2  TYR  24           1HB      TYR  24   4.166  -3.861   8.791
  176    HB3  TYR  24           2HB      TYR  24   4.856  -3.049   7.390
  177    HD1  TYR  24           HD1      TYR  24   4.070  -2.028  10.904
  178    HD2  TYR  24           HD2      TYR  24   6.972  -2.247   7.801
  179    HE1  TYR  24           HE1      TYR  24   5.706  -0.913  12.364
  180    HE2  TYR  24           HE2      TYR  24   8.616  -1.136   9.252
  181    HH   TYR  24           HH       TYR  24   8.866   0.063  11.171
  182    H    ASP  25           H        ASP  25   4.057  -1.114   6.055
  183    HA   ASP  25           HA       ASP  25   4.907   1.397   7.053
  184    HB2  ASP  25           1HB      ASP  25   6.052   0.674   5.143
  185    HB3  ASP  25           2HB      ASP  25   4.566   0.248   4.298
  186    H    CYS  26           H        CYS  26   1.975   0.294   5.459
  187    HA   CYS  26           HA       CYS  26   0.885   2.892   5.028
  188    HB2  CYS  26           1HB      CYS  26  -0.316   0.125   5.040
  189    HB3  CYS  26           2HB      CYS  26  -1.283   1.568   4.752
  190    H    LYS  27           H        LYS  27   0.138   0.338   7.398
  191    HA   LYS  27           HA       LYS  27  -1.667   1.919   8.900
  192    HB2  LYS  27           1HB      LYS  27  -0.120  -0.578   9.598
  193    HB3  LYS  27           2HB      LYS  27  -1.311   0.152  10.667
  194    HG2  LYS  27           1HG      LYS  27  -2.722  -0.060   8.351
  195    HG3  LYS  27           2HG      LYS  27  -1.681  -1.483   8.268
  196    HD2  LYS  27           1HD      LYS  27  -3.494  -0.738  10.564
  197    HD3  LYS  27           2HD      LYS  27  -3.792  -2.006   9.373
  198    HE2  LYS  27           1HE      LYS  27  -1.366  -2.760  10.232
  199    HE3  LYS  27           2HE      LYS  27  -1.954  -1.961  11.690
  200    HZ1  LYS  27           3HZ      LYS  27  -2.582  -4.515  10.753
  201    HZ2  LYS  27           1HZ      LYS  27  -3.997  -3.590  10.676
  202    HZ3  LYS  27           2HZ      LYS  27  -3.163  -3.741  12.141
  203    H    LEU  28           H        LEU  28   1.674   2.053   8.615
  204    HA   LEU  28           HA       LEU  28   2.275   2.871  11.306
  205    HB2  LEU  28           1HB      LEU  28   4.043   1.838  10.155
  206    HB3  LEU  28           2HB      LEU  28   3.813   2.848   8.729
  207    HG   LEU  28           HG       LEU  28   4.529   4.356  11.131
  208   HD11  LEU  28          1HD1      LEU  28   5.785   2.253  11.519
  209   HD12  LEU  28          2HD1      LEU  28   6.821   3.653  11.244
  210   HD13  LEU  28          3HD1      LEU  28   6.570   2.477   9.955
  211   HD21  LEU  28          3HD2      LEU  28   5.358   5.742   9.592
  212   HD22  LEU  28          1HD2      LEU  28   4.589   4.697   8.396
  213   HD23  LEU  28          2HD2      LEU  28   6.285   4.457   8.815
  214    H    ASP  29           H        ASP  29   2.481   4.593   8.186
  215    HA   ASP  29           HA       ASP  29   2.207   7.130   9.608
  216    HB2  ASP  29           1HB      ASP  29   3.994   6.743   7.848
  217    HB3  ASP  29           2HB      ASP  29   2.698   6.733   6.656
  218    H    LYS  30           H        LYS  30   0.748   5.463   6.819
  219    HA   LYS  30           HA       LYS  30  -1.392   7.326   6.564
  220    HB2  LYS  30           1HB      LYS  30  -1.388   4.492   5.537
  221    HB3  LYS  30           2HB      LYS  30  -2.254   5.877   4.885
  222    HG2  LYS  30           1HG      LYS  30   0.463   6.572   4.849
  223    HG3  LYS  30           2HG      LYS  30   0.367   4.912   4.256
  224    HD2  LYS  30           1HD      LYS  30   0.063   6.122   2.314
  225    HD3  LYS  30           2HD      LYS  30  -1.603   5.837   2.819
  226    HE2  LYS  30           1HE      LYS  30  -0.316   8.276   3.875
  227    HE3  LYS  30           2HE      LYS  30  -0.640   8.257   2.143
  228    HZ1  LYS  30           3HZ      LYS  30  -2.451   8.628   4.286
  229    HZ2  LYS  30           1HZ      LYS  30  -2.923   7.291   3.363
  230    HZ3  LYS  30           2HZ      LYS  30  -2.719   8.800   2.625
  231    H    HIS  31           H        HIS  31  -0.776   4.910   8.799
  232    HA   HIS  31           HA       HIS  31  -2.027   3.792  10.346
  233    HB2  HIS  31           1HB      HIS  31  -3.588   6.347   9.991
  234    HB3  HIS  31           2HB      HIS  31  -4.019   5.143  11.202
  235    HD1  HIS  31           HD1      HIS  31  -1.332   4.419  12.370
  236    HD2  HIS  31           HD2      HIS  31  -2.409   8.318  11.420
  237    HE1  HIS  31           HE1      HIS  31   0.139   5.887  13.786
  238    H    ALA  32           H        ALA  32  -2.581   3.230   7.516
  239    HA   ALA  32           HA       ALA  32  -5.322   2.930   7.013
  240    HB1  ALA  32           3HB      ALA  32  -4.618   2.118   5.063
  241    HB2  ALA  32           1HB      ALA  32  -2.978   2.401   5.645
  242    HB3  ALA  32           2HB      ALA  32  -3.723   0.814   5.843
  243    H    ARG  33           H        ARG  33  -5.722   0.265   6.382
  244    HA   ARG  33           HA       ARG  33  -5.526  -1.125   8.965
  245    HB2  ARG  33           1HB      ARG  33  -7.816  -0.004   8.382
  246    HB3  ARG  33           2HB      ARG  33  -7.997  -1.370   7.288
  247    HG2  ARG  33           1HG      ARG  33  -9.002  -2.247   9.117
  248    HG3  ARG  33           2HG      ARG  33  -7.340  -2.720   9.474
  249    HD2  ARG  33           1HD      ARG  33  -8.283  -0.060  10.413
  250    HD3  ARG  33           2HD      ARG  33  -8.858  -1.494  11.262
  251    HE   ARG  33           HE       ARG  33  -6.259  -0.351  11.417
  252   HH11  ARG  33          1HH1      ARG  33  -7.975  -3.379  11.486
  253   HH12  ARG  33          2HH1      ARG  33  -6.778  -4.186  12.443
  254   HH21  ARG  33          1HH2      ARG  33  -4.675  -1.401  12.677
  255   HH22  ARG  33          2HH2      ARG  33  -4.901  -3.059  13.122
  256    H    SER  34           H        SER  34  -6.041  -1.361   5.483
  257    HA   SER  34           HA       SER  34  -4.976  -4.106   5.591
  258    HB2  SER  34           1HB      SER  34  -7.504  -3.726   4.960
  259    HB3  SER  34           2HB      SER  34  -6.833  -3.271   3.393
  260    HG   SER  34           HG       SER  34  -6.962  -5.747   4.621
  261    H    GLY  35           H        GLY  35  -3.394  -1.796   5.303
  262    HA2  GLY  35           1HA      GLY  35  -2.818  -0.925   2.752
  263    HA3  GLY  35           2HA      GLY  35  -1.615  -1.101   4.022
  264    H    GLU  36           H        GLU  36  -2.345  -1.974   0.948
  265    HA   GLU  36           HA       GLU  36  -0.353  -4.075   0.968
  266    HB2  GLU  36           1HB      GLU  36  -2.758  -5.047   1.338
  267    HB3  GLU  36           2HB      GLU  36  -2.937  -4.749  -0.384
  268    HG2  GLU  36           1HG      GLU  36  -1.223  -6.258  -0.933
  269    HG3  GLU  36           2HG      GLU  36  -0.647  -6.332   0.732
  270    H    CYS  37           H        CYS  37   0.105  -4.830  -1.314
  271    HA   CYS  37           HA       CYS  37  -0.046  -2.505  -3.103
  272    HB2  CYS  37           1HB      CYS  37   1.936  -3.321  -4.169
  273    HB3  CYS  37           2HB      CYS  37   2.208  -3.404  -2.431
  274    H    PHE  38           H        PHE  38  -0.488  -2.796  -5.336
  275    HA   PHE  38           HA       PHE  38  -1.365  -5.332  -6.348
  276    HB2  PHE  38           1HB      PHE  38  -3.276  -3.974  -4.919
  277    HB3  PHE  38           2HB      PHE  38  -3.589  -3.429  -6.563
  278    HD1  PHE  38           HD2      PHE  38  -2.621  -6.688  -5.018
  279    HD2  PHE  38           HD1      PHE  38  -5.323  -4.565  -7.531
  280    HE1  PHE  38           HE2      PHE  38  -3.837  -8.779  -5.474
  281    HE2  PHE  38           HE1      PHE  38  -6.542  -6.652  -7.990
  282    HZ   PHE  38           HZ       PHE  38  -5.800  -8.763  -6.961
  283    H    TYR  39           H        TYR  39  -1.943  -5.245  -8.606
  284    HA   TYR  39           HA       TYR  39  -0.325  -3.498 -10.095
  285    HB2  TYR  39           1HB      TYR  39  -1.328  -4.499 -12.060
  286    HB3  TYR  39           2HB      TYR  39  -1.042  -5.751 -10.858
  287    HD1  TYR  39           HD1      TYR  39  -2.925  -6.773  -9.655
  288    HD2  TYR  39           HD2      TYR  39  -3.560  -3.902 -12.731
  289    HE1  TYR  39           HE1      TYR  39  -5.284  -7.456  -9.799
  290    HE2  TYR  39           HE2      TYR  39  -5.920  -4.577 -12.881
  291    HH   TYR  39           HH       TYR  39  -7.119  -7.332 -11.773
  292    H    ASP  40           H        ASP  40  -0.708  -1.625 -11.155
  293    HA   ASP  40           HA       ASP  40  -3.227  -0.269 -10.553
  294    HB2  ASP  40           1HB      ASP  40  -0.628   0.600 -10.430
  295    HB3  ASP  40           2HB      ASP  40  -1.158   1.251 -11.979
  296    H    GLU  41           H        GLU  41  -3.659   1.477 -12.456
  297    HA   GLU  41           HA       GLU  41  -4.692  -0.058 -14.601
  298    HB2  GLU  41           1HB      GLU  41  -5.447   2.057 -15.523
  299    HB3  GLU  41           2HB      GLU  41  -5.745   2.022 -13.791
  300    HG2  GLU  41           1HG      GLU  41  -3.551   3.284 -13.548
  301    HG3  GLU  41           2HG      GLU  41  -3.645   3.548 -15.288
  302    H    LYS  42           H        LYS  42  -1.667   1.449 -14.060
  303    HA   LYS  42           HA       LYS  42  -0.986   1.372 -16.912
  304    HB2  LYS  42           1HB      LYS  42   0.558   2.531 -14.583
  305    HB3  LYS  42           2HB      LYS  42   1.020   2.641 -16.277
  306    HG2  LYS  42           1HG      LYS  42  -1.655   3.662 -15.500
  307    HG3  LYS  42           2HG      LYS  42  -0.235   4.604 -15.040
  308    HD2  LYS  42           1HD      LYS  42  -0.633   5.506 -17.099
  309    HD3  LYS  42           2HD      LYS  42   0.417   4.167 -17.571
  310    HE2  LYS  42           1HE      LYS  42  -1.303   2.960 -18.480
  311    HE3  LYS  42           2HE      LYS  42  -2.512   3.674 -17.414
  312    HZ1  LYS  42           3HZ      LYS  42  -3.037   4.731 -19.332
  313    HZ2  LYS  42           1HZ      LYS  42  -1.468   4.650 -19.961
  314    HZ3  LYS  42           2HZ      LYS  42  -1.851   5.811 -18.791
  315    H    ARG  43           H        ARG  43  -1.281  -0.996 -15.120
  316    HA   ARG  43           HA       ARG  43  -0.256  -2.987 -14.722
  317    HB2  ARG  43           1HB      ARG  43   1.269  -1.928 -17.077
  318    HB3  ARG  43           2HB      ARG  43   1.764  -3.432 -16.314
  319    HG2  ARG  43           1HG      ARG  43   0.378  -4.249 -17.920
  320    HG3  ARG  43           2HG      ARG  43  -0.786  -4.025 -16.612
  321    HD2  ARG  43           1HD      ARG  43  -1.752  -3.129 -18.598
  322    HD3  ARG  43           2HD      ARG  43  -1.298  -1.772 -17.568
  323    HE   ARG  43           HE       ARG  43   0.746  -2.447 -19.448
  324   HH11  ARG  43          1HH1      ARG  43  -2.256  -0.732 -19.039
  325   HH12  ARG  43          2HH1      ARG  43  -1.943   0.385 -20.327
  326   HH21  ARG  43          1HH2      ARG  43   1.168  -0.984 -21.145
  327   HH22  ARG  43          2HH2      ARG  43   0.004   0.240 -21.525
  328    H    ASN  44           H        ASN  44   0.671  -0.493 -13.340
  329    HA   ASN  44           HA       ASN  44   3.425  -1.258 -12.673
  330    HB2  ASN  44           1HB      ASN  44   1.894   1.261 -11.985
  331    HB3  ASN  44           2HB      ASN  44   3.584   0.950 -11.599
  332   HD21  ASN  44          2HD2      ASN  44   2.594   3.126 -13.116
  333   HD22  ASN  44          1HD2      ASN  44   3.249   2.996 -14.709
  334    H    LEU  45           H        LEU  45   3.891  -2.212 -10.797
  335    HA   LEU  45           HA       LEU  45   1.736  -2.707  -8.908
  336    HB2  LEU  45           1HB      LEU  45   4.560  -3.713  -8.715
  337    HB3  LEU  45           2HB      LEU  45   3.108  -4.389  -7.979
  338    HG   LEU  45           HG       LEU  45   3.556  -4.349 -10.955
  339   HD11  LEU  45          1HD1      LEU  45   4.125  -6.798 -10.596
  340   HD12  LEU  45          2HD1      LEU  45   4.405  -6.375  -8.908
  341   HD13  LEU  45          3HD1      LEU  45   5.370  -5.621 -10.177
  342   HD21  LEU  45          3HD2      LEU  45   1.899  -6.329  -9.471
  343   HD22  LEU  45          1HD2      LEU  45   1.716  -5.704 -11.110
  344   HD23  LEU  45          2HD2      LEU  45   1.258  -4.706  -9.730
  345    H    GLN  46           H        GLN  46   1.408  -1.373  -7.266
  346    HA   GLN  46           HA       GLN  46   3.729  -0.219  -5.891
  347    HB2  GLN  46           1HB      GLN  46   1.218   1.365  -6.413
  348    HB3  GLN  46           2HB      GLN  46   2.749   1.947  -5.773
  349    HG2  GLN  46           1HG      GLN  46   2.356   0.891  -8.564
  350    HG3  GLN  46           2HG      GLN  46   2.333   2.597  -8.121
  351   HE21  GLN  46          2HE2      GLN  46   4.086   1.908  -9.977
  352   HE22  GLN  46          1HE2      GLN  46   5.696   1.876  -9.355
  353    H    CYS  47           H        CYS  47   3.154   0.635  -3.710
  354    HA   CYS  47           HA       CYS  47   1.323  -1.234  -2.414
  355    HB2  CYS  47           1HB      CYS  47   3.708  -0.884  -1.622
  356    HB3  CYS  47           2HB      CYS  47   3.203   0.712  -1.076
  357    H    ILE  48           H        ILE  48  -0.715  -0.576  -2.237
  358    HA   ILE  48           HA       ILE  48  -1.266   2.271  -1.785
  359    HB   ILE  48           HB       ILE  48  -3.216   0.094  -2.543
  360   HG12  ILE  48          1HG1      ILE  48  -3.021   1.756  -4.709
  361   HG13  ILE  48          2HG1      ILE  48  -1.358   1.729  -4.135
  362   HG21  ILE  48          1HG2      ILE  48  -3.489   3.098  -2.550
  363   HG22  ILE  48          2HG2      ILE  48  -4.709   1.946  -3.093
  364   HG23  ILE  48          3HG2      ILE  48  -4.234   1.992  -1.395
  365   HD11  ILE  48          3HD1      ILE  48  -1.082  -0.180  -5.208
  366   HD12  ILE  48          1HD1      ILE  48  -2.227  -0.931  -4.097
  367   HD13  ILE  48          2HD1      ILE  48  -2.796  -0.245  -5.619
  368    H    CYS  49           H        CYS  49  -2.505   2.980  -0.069
  369    HA   CYS  49           HA       CYS  49  -2.888   1.019   2.094
  370    HB2  CYS  49           1HB      CYS  49  -2.676   4.004   2.456
  371    HB3  CYS  49           2HB      CYS  49  -2.497   2.744   3.675
  372    H    ASP  50           H        ASP  50  -4.788   1.058   3.313
  373    HA   ASP  50           HA       ASP  50  -6.972   2.718   2.255
  374    HB2  ASP  50           1HB      ASP  50  -7.150   0.433   1.327
  375    HB3  ASP  50           2HB      ASP  50  -7.184  -0.216   2.965
  376    H    TYR  51           H        TYR  51  -7.887   3.887   3.797
  377    HA   TYR  51           HA       TYR  51  -7.840   2.858   6.559
  378    HB2  TYR  51           1HB      TYR  51  -6.283   4.784   6.159
  379    HB3  TYR  51           2HB      TYR  51  -7.684   5.768   5.753
  380    HD1  TYR  51           HD2      TYR  51  -7.336   3.241   8.462
  381    HD2  TYR  51           HD1      TYR  51  -7.754   7.357   7.467
  382    HE1  TYR  51           HE2      TYR  51  -7.639   3.780  10.843
  383    HE2  TYR  51           HE1      TYR  51  -8.058   7.908   9.845
  384    HH   TYR  51           HH       TYR  51  -7.190   6.426  12.201
  385    H    CYS  52           H        CYS  52  -9.821   2.362   7.199
  386    HA   CYS  52           HA       CYS  52 -12.100   3.842   6.087
  387    HB2  CYS  52           1HB      CYS  52 -11.876   1.129   7.388
  388    HB3  CYS  52           2HB      CYS  52 -13.427   1.909   7.092
  389    H    GLU  53           H        GLU  53 -14.009   3.976   7.686
  390    HA   GLU  53           HA       GLU  53 -13.036   4.698  10.366
  391    HB2  GLU  53           1HB      GLU  53 -14.624   6.351   8.440
  392    HB3  GLU  53           2HB      GLU  53 -14.870   6.563  10.168
  393    HG2  GLU  53           1HG      GLU  53 -12.350   6.879  10.323
  394    HG3  GLU  53           2HG      GLU  53 -12.381   7.036   8.567
  395    H    TYR  54           H        TYR  54 -13.993   3.339  11.724
  396    HA   TYR  54           HA       TYR  54 -16.586   2.201  11.134
  397    HB2  TYR  54           1HB      TYR  54 -14.534   1.775  13.283
  398    HB3  TYR  54           2HB      TYR  54 -16.159   1.124  13.463
  399    HD1  TYR  54           HD2      TYR  54 -17.022  -0.250  11.367
  400    HD2  TYR  54           HD1      TYR  54 -12.927   0.450  12.284
  401    HE1  TYR  54           HE2      TYR  54 -16.392  -2.208  10.019
  402    HE2  TYR  54           HE1      TYR  54 -12.284  -1.505  10.938
  403    HH   TYR  54           HH       TYR  54 -13.937  -3.852  10.198
  Start of MODEL   15
    1    H1   ASP   2           H        ASP   2 -17.023   2.931   1.419
    2    HA   ASP   2           HA       ASP   2 -17.112   5.877   1.392
    3    HB2  ASP   2           1HB      ASP   2 -18.033   4.065   3.630
    4    HB3  ASP   2           2HB      ASP   2 -18.244   5.810   3.521
    5    H    CYS   3           H        CYS   3 -14.698   4.447   1.112
    6    HA   CYS   3           HA       CYS   3 -13.386   5.124   3.661
    7    HB2  CYS   3           1HB      CYS   3 -12.405   2.935   1.837
    8    HB3  CYS   3           2HB      CYS   3 -11.946   3.252   3.507
    9    H    LYS   4           H        LYS   4 -10.918   5.335   3.280
   10    HA   LYS   4           HA       LYS   4 -10.499   6.872   0.799
   11    HB2  LYS   4           1HB      LYS   4 -10.444   8.495   2.471
   12    HB3  LYS   4           2HB      LYS   4  -9.670   7.420   3.628
   13    HG2  LYS   4           1HG      LYS   4  -7.579   7.814   2.811
   14    HG3  LYS   4           2HG      LYS   4  -8.159   8.154   1.180
   15    HD2  LYS   4           1HD      LYS   4  -8.891  10.326   1.801
   16    HD3  LYS   4           2HD      LYS   4  -8.675   9.979   3.518
   17    HE2  LYS   4           1HE      LYS   4  -6.356   9.848   1.629
   18    HE3  LYS   4           2HE      LYS   4  -6.897  11.396   2.275
   19    HZ1  LYS   4           3HZ      LYS   4  -5.245   9.527   3.499
   20    HZ2  LYS   4           1HZ      LYS   4  -6.695   9.528   4.372
   21    HZ3  LYS   4           2HZ      LYS   4  -5.837  10.970   4.155
   22    H    ARG   5           H        ARG   5  -9.035   6.030  -0.519
   23    HA   ARG   5           HA       ARG   5  -6.859   4.417   0.642
   24    HB2  ARG   5           1HB      ARG   5  -6.907   3.091  -1.480
   25    HB3  ARG   5           2HB      ARG   5  -8.345   2.910  -0.485
   26    HG2  ARG   5           1HG      ARG   5  -9.247   3.131  -2.584
   27    HG3  ARG   5           2HG      ARG   5  -9.303   4.794  -1.996
   28    HD2  ARG   5           1HD      ARG   5  -7.577   5.475  -3.360
   29    HD3  ARG   5           2HD      ARG   5  -6.897   3.854  -3.484
   30    HE   ARG   5           HE       ARG   5  -9.349   3.734  -4.728
   31   HH11  ARG   5          1HH1      ARG   5  -6.400   5.541  -5.122
   32   HH12  ARG   5          2HH1      ARG   5  -6.587   5.722  -6.835
   33   HH21  ARG   5          1HH2      ARG   5  -9.607   3.967  -6.982
   34   HH22  ARG   5          2HH2      ARG   5  -8.411   4.828  -7.892
   35    H    LYS   6           H        LYS   6  -4.903   4.307  -0.724
   36    HA   LYS   6           HA       LYS   6  -4.485   6.192  -2.814
   37    HB2  LYS   6           1HB      LYS   6  -4.512   7.813  -1.022
   38    HB3  LYS   6           2HB      LYS   6  -3.384   6.850  -0.077
   39    HG2  LYS   6           1HG      LYS   6  -1.578   7.441  -1.376
   40    HG3  LYS   6           2HG      LYS   6  -2.579   7.825  -2.779
   41    HD2  LYS   6           1HD      LYS   6  -2.630   9.429  -0.230
   42    HD3  LYS   6           2HD      LYS   6  -1.558   9.800  -1.583
   43    HE2  LYS   6           1HE      LYS   6  -3.772   9.722  -2.971
   44    HE3  LYS   6           2HE      LYS   6  -4.534   9.990  -1.404
   45    HZ1  LYS   6           3HZ      LYS   6  -3.630  12.067  -1.214
   46    HZ2  LYS   6           1HZ      LYS   6  -3.834  11.991  -2.891
   47    HZ3  LYS   6           2HZ      LYS   6  -2.309  11.723  -2.213
   48    H    VAL   7           H        VAL   7  -2.506   5.909  -3.843
   49    HA   VAL   7           HA       VAL   7  -0.936   3.616  -2.869
   50    HB   VAL   7           HB       VAL   7  -2.017   3.227  -5.032
   51   HG11  VAL   7          1HG1      VAL   7  -0.345   5.514  -6.066
   52   HG12  VAL   7          2HG1      VAL   7  -1.468   4.515  -6.991
   53   HG13  VAL   7          3HG1      VAL   7  -2.076   5.602  -5.743
   54   HG21  VAL   7          3HG2      VAL   7  -0.038   2.523  -6.278
   55   HG22  VAL   7          1HG2      VAL   7   0.974   3.556  -5.267
   56   HG23  VAL   7          2HG2      VAL   7   0.142   2.171  -4.559
   57    H    TYR   8           H        TYR   8   1.253   3.760  -2.668
   58    HA   TYR   8           HA       TYR   8   2.384   6.453  -2.843
   59    HB2  TYR   8           1HB      TYR   8   2.540   4.508  -0.880
   60    HB3  TYR   8           2HB      TYR   8   4.099   4.392  -1.688
   61    HD1  TYR   8           HD1      TYR   8   1.787   6.938  -0.236
   62    HD2  TYR   8           HD2      TYR   8   5.811   5.806  -1.029
   63    HE1  TYR   8           HE1      TYR   8   2.581   8.894   1.027
   64    HE2  TYR   8           HE2      TYR   8   6.616   7.758   0.232
   65    HH   TYR   8           HH       TYR   8   5.757  10.001   0.897
   66    H    GLU   9           H        GLU   9   3.756   6.999  -4.400
   67    HA   GLU   9           HA       GLU   9   4.642   4.992  -6.293
   68    HB2  GLU   9           1HB      GLU   9   5.433   6.884  -7.621
   69    HB3  GLU   9           2HB      GLU   9   3.770   7.132  -7.111
   70    HG2  GLU   9           1HG      GLU   9   4.912   8.418  -5.127
   71    HG3  GLU   9           2HG      GLU   9   6.244   8.549  -6.274
   72    H    ASN  10           H        ASN  10   5.868   6.542  -3.529
   73    HA   ASN  10           HA       ASN  10   8.657   6.189  -4.301
   74    HB2  ASN  10           1HB      ASN  10   7.299   7.422  -1.911
   75    HB3  ASN  10           2HB      ASN  10   9.032   7.106  -1.927
   76   HD21  ASN  10          2HD2      ASN  10  10.320   8.162  -3.526
   77   HD22  ASN  10          1HD2      ASN  10   9.812   9.674  -4.191
   78    H    TYR  11           H        TYR  11   6.543   4.023  -3.629
   79    HA   TYR  11           HA       TYR  11   7.901   2.675  -1.422
   80    HB2  TYR  11           1HB      TYR  11   5.384   2.794  -1.557
   81    HB3  TYR  11           2HB      TYR  11   5.475   1.733  -2.959
   82    HD1  TYR  11           HD1      TYR  11   6.701  -0.532  -2.606
   83    HD2  TYR  11           HD2      TYR  11   5.220   1.878   0.572
   84    HE1  TYR  11           HE1      TYR  11   6.702  -2.495  -1.125
   85    HE2  TYR  11           HE2      TYR  11   5.218  -0.079   2.062
   86    HH   TYR  11           HH       TYR  11   6.206  -3.284   0.888
   87    HA   PRO  12           HA       PRO  12  10.336   0.217  -4.169
   88    HB2  PRO  12           1HB      PRO  12  11.087  -1.684  -2.383
   89    HB3  PRO  12           2HB      PRO  12  11.768  -0.053  -2.393
   90    HG2  PRO  12           1HG      PRO  12   9.612  -1.194  -0.658
   91    HG3  PRO  12           2HG      PRO  12  10.970  -0.146  -0.211
   92    HD2  PRO  12           1HD      PRO  12   8.459   0.799  -0.572
   93    HD3  PRO  12           2HD      PRO  12   9.903   1.761  -0.944
   94    H    VAL  13           H        VAL  13   9.531  -1.105  -5.663
   95    HA   VAL  13           HA       VAL  13   7.233  -2.708  -5.278
   96    HB   VAL  13           HB       VAL  13   9.284  -2.862  -7.493
   97   HG11  VAL  13          1HG1      VAL  13   6.774  -4.290  -6.962
   98   HG12  VAL  13          2HG1      VAL  13   6.915  -3.612  -8.586
   99   HG13  VAL  13          3HG1      VAL  13   8.139  -4.732  -7.987
  100   HG21  VAL  13          3HG2      VAL  13   7.220  -1.598  -8.615
  101   HG22  VAL  13          1HG2      VAL  13   7.003  -1.048  -6.952
  102   HG23  VAL  13          2HG2      VAL  13   8.524  -0.740  -7.792
  103    H    SER  14           H        SER  14  10.625  -3.297  -4.877
  104    HA   SER  14           HA       SER  14  10.604  -6.115  -5.068
  105    HB2  SER  14           1HB      SER  14  12.456  -4.106  -3.828
  106    HB3  SER  14           2HB      SER  14  12.701  -5.826  -3.526
  107    HG   SER  14           HG       SER  14  12.678  -4.494  -6.029
  108    H    LYS  15           H        LYS  15  10.362  -3.933  -2.274
  109    HA   LYS  15           HA       LYS  15   9.987  -6.077  -0.410
  110    HB2  LYS  15           1HB      LYS  15   9.325  -3.170   0.041
  111    HB3  LYS  15           2HB      LYS  15   9.729  -4.384   1.249
  112    HG2  LYS  15           1HG      LYS  15  11.588  -3.210  -0.809
  113    HG3  LYS  15           2HG      LYS  15  11.590  -2.890   0.928
  114    HD2  LYS  15           1HD      LYS  15  12.057  -5.598  -0.319
  115    HD3  LYS  15           2HD      LYS  15  13.337  -4.505   0.213
  116    HE2  LYS  15           1HE      LYS  15  11.199  -5.762   1.931
  117    HE3  LYS  15           2HE      LYS  15  12.916  -6.164   1.920
  118    HZ1  LYS  15           3HZ      LYS  15  12.679  -4.762   3.734
  119    HZ2  LYS  15           1HZ      LYS  15  11.601  -3.728   2.941
  120    HZ3  LYS  15           2HZ      LYS  15  13.240  -3.716   2.529
  121    H    CYS  16           H        CYS  16   7.958  -4.331  -2.534
  122    HA   CYS  16           HA       CYS  16   5.520  -4.312  -1.204
  123    HB2  CYS  16           1HB      CYS  16   6.439  -3.866  -3.850
  124    HB3  CYS  16           2HB      CYS  16   5.089  -4.991  -3.955
  125    H    GLN  17           H        GLN  17   7.220  -6.941  -2.757
  126    HA   GLN  17           HA       GLN  17   5.189  -8.795  -3.078
  127    HB2  GLN  17           1HB      GLN  17   6.897 -10.500  -3.009
  128    HB3  GLN  17           2HB      GLN  17   7.528  -9.090  -3.851
  129    HG2  GLN  17           1HG      GLN  17   8.485  -8.449  -1.529
  130    HG3  GLN  17           2HG      GLN  17   8.233 -10.154  -1.154
  131   HE21  GLN  17          2HE2      GLN  17  10.714  -9.452  -0.962
  132   HE22  GLN  17          1HE2      GLN  17  11.661  -9.934  -2.323
  133    H    LEU  18           H        LEU  18   6.729  -7.678  -0.174
  134    HA   LEU  18           HA       LEU  18   5.727  -9.836   1.462
  135    HB2  LEU  18           1HB      LEU  18   7.143  -7.257   2.074
  136    HB3  LEU  18           2HB      LEU  18   6.555  -8.337   3.337
  137    HG   LEU  18           HG       LEU  18   8.467  -9.286   1.223
  138   HD11  LEU  18          1HD1      LEU  18   9.082  -7.847   3.790
  139   HD12  LEU  18          2HD1      LEU  18   9.620  -7.446   2.160
  140   HD13  LEU  18          3HD1      LEU  18  10.244  -8.886   2.964
  141   HD21  LEU  18          3HD2      LEU  18   8.680 -11.150   2.489
  142   HD22  LEU  18          1HD2      LEU  18   7.058 -10.692   3.010
  143   HD23  LEU  18          2HD2      LEU  18   8.454 -10.282   4.008
  144    H    ALA  19           H        ALA  19   3.793  -9.930   2.391
  145    HA   ALA  19           HA       ALA  19   1.872  -7.852   2.002
  146    HB1  ALA  19           3HB      ALA  19   0.571  -9.452   3.664
  147    HB2  ALA  19           1HB      ALA  19   0.822  -9.873   1.969
  148    HB3  ALA  19           2HB      ALA  19   1.865 -10.563   3.214
  149    H    ASN  20           H        ASN  20   3.403  -9.245   4.905
  150    HA   ASN  20           HA       ASN  20   2.222  -7.479   6.746
  151    HB2  ASN  20           1HB      ASN  20   4.657  -9.234   6.807
  152    HB3  ASN  20           2HB      ASN  20   4.328  -8.134   8.142
  153   HD21  ASN  20          2HD2      ASN  20   1.784  -8.231   8.638
  154   HD22  ASN  20          1HD2      ASN  20   1.228  -9.835   8.965
  155    H    GLN  21           H        GLN  21   4.682  -6.995   4.443
  156    HA   GLN  21           HA       GLN  21   6.022  -4.855   5.826
  157    HB2  GLN  21           1HB      GLN  21   7.168  -6.299   4.160
  158    HB3  GLN  21           2HB      GLN  21   6.145  -5.616   2.903
  159    HG2  GLN  21           1HG      GLN  21   8.237  -4.511   2.802
  160    HG3  GLN  21           2HG      GLN  21   7.071  -3.373   3.475
  161   HE21  GLN  21          2HE2      GLN  21   9.121  -5.973   4.761
  162   HE22  GLN  21          1HE2      GLN  21   9.805  -5.032   6.037
  163    H    CYS  22           H        CYS  22   3.652  -5.132   3.210
  164    HA   CYS  22           HA       CYS  22   3.490  -2.381   2.616
  165    HB2  CYS  22           1HB      CYS  22   2.197  -4.795   1.780
  166    HB3  CYS  22           2HB      CYS  22   0.966  -3.585   2.124
  167    H    ASN  23           H        ASN  23   1.118  -4.391   4.371
  168    HA   ASN  23           HA       ASN  23  -0.482  -2.353   5.321
  169    HB2  ASN  23           1HB      ASN  23  -1.468  -3.928   6.702
  170    HB3  ASN  23           2HB      ASN  23  -0.688  -4.965   5.511
  171   HD21  ASN  23          2HD2      ASN  23  -1.296  -4.744   8.647
  172   HD22  ASN  23          1HD2      ASN  23   0.092  -5.531   9.308
  173    H    TYR  24           H        TYR  24   2.621  -3.441   6.483
  174    HA   TYR  24           HA       TYR  24   2.526  -2.147   9.011
  175    HB2  TYR  24           1HB      TYR  24   4.097  -3.926   8.713
  176    HB3  TYR  24           2HB      TYR  24   4.824  -3.135   7.319
  177    HD1  TYR  24           HD1      TYR  24   4.235  -2.593  10.966
  178    HD2  TYR  24           HD2      TYR  24   6.758  -1.892   7.612
  179    HE1  TYR  24           HE1      TYR  24   5.889  -1.528  12.440
  180    HE2  TYR  24           HE2      TYR  24   8.419  -0.825   9.078
  181    HH   TYR  24           HH       TYR  24   8.288   0.405  11.419
  182    H    ASP  25           H        ASP  25   4.027  -1.267   5.908
  183    HA   ASP  25           HA       ASP  25   4.953   1.266   6.809
  184    HB2  ASP  25           1HB      ASP  25   5.941   0.065   4.883
  185    HB3  ASP  25           2HB      ASP  25   4.452   0.324   3.977
  186    H    CYS  26           H        CYS  26   1.955   0.110   5.488
  187    HA   CYS  26           HA       CYS  26   0.944   2.718   4.810
  188    HB2  CYS  26           1HB      CYS  26  -0.290  -0.028   4.952
  189    HB3  CYS  26           2HB      CYS  26  -1.258   1.407   4.632
  190    H    LYS  27           H        LYS  27   0.210   0.324   7.343
  191    HA   LYS  27           HA       LYS  27  -1.578   2.029   8.750
  192    HB2  LYS  27           1HB      LYS  27  -0.108  -0.477   9.572
  193    HB3  LYS  27           2HB      LYS  27  -1.274   0.342  10.603
  194    HG2  LYS  27           1HG      LYS  27  -2.706   0.061   8.317
  195    HG3  LYS  27           2HG      LYS  27  -1.696  -1.385   8.274
  196    HD2  LYS  27           1HD      LYS  27  -3.464  -0.521  10.563
  197    HD3  LYS  27           2HD      LYS  27  -3.807  -1.821   9.420
  198    HE2  LYS  27           1HE      LYS  27  -1.408  -2.631  10.262
  199    HE3  LYS  27           2HE      LYS  27  -1.908  -1.731  11.693
  200    HZ1  LYS  27           3HZ      LYS  27  -2.883  -3.663  12.228
  201    HZ2  LYS  27           1HZ      LYS  27  -2.918  -4.229  10.634
  202    HZ3  LYS  27           2HZ      LYS  27  -4.106  -3.155  11.176
  203    H    LEU  28           H        LEU  28   1.763   2.052   8.450
  204    HA   LEU  28           HA       LEU  28   2.395   2.985  11.098
  205    HB2  LEU  28           1HB      LEU  28   4.114   1.824   9.975
  206    HB3  LEU  28           2HB      LEU  28   3.936   2.811   8.526
  207    HG   LEU  28           HG       LEU  28   4.827   4.749   9.825
  208   HD11  LEU  28          1HD1      LEU  28   4.808   2.704  11.947
  209   HD12  LEU  28          2HD1      LEU  28   4.652   4.457  12.053
  210   HD13  LEU  28          3HD1      LEU  28   6.245   3.724  11.863
  211   HD21  LEU  28          3HD2      LEU  28   6.167   2.627   8.622
  212   HD22  LEU  28          1HD2      LEU  28   7.037   2.916  10.129
  213   HD23  LEU  28          2HD2      LEU  28   6.814   4.231   8.973
  214    H    ASP  29           H        ASP  29   2.652   4.534   7.892
  215    HA   ASP  29           HA       ASP  29   2.465   7.149   9.177
  216    HB2  ASP  29           1HB      ASP  29   3.442   6.152   6.548
  217    HB3  ASP  29           2HB      ASP  29   2.812   7.795   6.611
  218    H    LYS  30           H        LYS  30   0.933   5.381   6.493
  219    HA   LYS  30           HA       LYS  30  -1.143   7.298   6.142
  220    HB2  LYS  30           1HB      LYS  30  -0.462   4.635   5.042
  221    HB3  LYS  30           2HB      LYS  30  -2.165   5.073   4.995
  222    HG2  LYS  30           1HG      LYS  30  -0.046   6.920   3.956
  223    HG3  LYS  30           2HG      LYS  30  -0.722   5.628   2.962
  224    HD2  LYS  30           1HD      LYS  30  -2.648   7.382   4.372
  225    HD3  LYS  30           2HD      LYS  30  -1.748   8.099   3.033
  226    HE2  LYS  30           1HE      LYS  30  -3.518   7.252   1.874
  227    HE3  LYS  30           2HE      LYS  30  -2.458   5.844   1.837
  228    HZ1  LYS  30           3HZ      LYS  30  -3.643   4.931   3.722
  229    HZ2  LYS  30           1HZ      LYS  30  -4.725   5.261   2.464
  230    HZ3  LYS  30           2HZ      LYS  30  -4.641   6.295   3.800
  231    H    HIS  31           H        HIS  31  -0.596   4.993   8.508
  232    HA   HIS  31           HA       HIS  31  -1.873   4.006  10.120
  233    HB2  HIS  31           1HB      HIS  31  -3.495   6.514   9.640
  234    HB3  HIS  31           2HB      HIS  31  -3.699   5.444  11.024
  235    HD1  HIS  31           HD1      HIS  31  -0.719   4.997  11.721
  236    HD2  HIS  31           HD2      HIS  31  -2.411   8.694  10.870
  237    HE1  HIS  31           HE1      HIS  31   0.785   6.692  12.813
  238    H    ALA  32           H        ALA  32  -2.463   3.301   7.334
  239    HA   ALA  32           HA       ALA  32  -5.218   3.068   6.860
  240    HB1  ALA  32           3HB      ALA  32  -2.914   2.402   5.500
  241    HB2  ALA  32           1HB      ALA  32  -3.674   0.841   5.811
  242    HB3  ALA  32           2HB      ALA  32  -4.566   2.102   4.959
  243    H    ARG  33           H        ARG  33  -5.681   0.371   6.374
  244    HA   ARG  33           HA       ARG  33  -5.515  -0.879   9.029
  245    HB2  ARG  33           1HB      ARG  33  -7.761   0.281   8.501
  246    HB3  ARG  33           2HB      ARG  33  -8.016  -1.042   7.370
  247    HG2  ARG  33           1HG      ARG  33  -7.407  -2.487   9.505
  248    HG3  ARG  33           2HG      ARG  33  -8.003  -1.047  10.332
  249    HD2  ARG  33           1HD      ARG  33  -9.990  -2.102  10.105
  250    HD3  ARG  33           2HD      ARG  33  -9.946  -1.342   8.514
  251    HE   ARG  33           HE       ARG  33  -8.680  -3.856   8.399
  252   HH11  ARG  33          1HH1      ARG  33 -11.838  -2.428   8.726
  253   HH12  ARG  33          2HH1      ARG  33 -12.662  -3.768   8.001
  254   HH21  ARG  33          1HH2      ARG  33  -9.754  -5.626   7.442
  255   HH22  ARG  33          2HH2      ARG  33 -11.476  -5.587   7.272
  256    H    SER  34           H        SER  34  -6.106  -1.281   5.572
  257    HA   SER  34           HA       SER  34  -5.103  -4.041   5.803
  258    HB2  SER  34           1HB      SER  34  -7.618  -3.780   5.304
  259    HB3  SER  34           2HB      SER  34  -7.109  -3.212   3.715
  260    HG   SER  34           HG       SER  34  -7.001  -5.250   3.236
  261    H    GLY  35           H        GLY  35  -3.505  -1.770   5.310
  262    HA2  GLY  35           1HA      GLY  35  -3.028  -1.099   2.669
  263    HA3  GLY  35           2HA      GLY  35  -1.789  -1.152   3.914
  264    H    GLU  36           H        GLU  36  -2.447  -2.209   0.934
  265    HA   GLU  36           HA       GLU  36  -0.580  -4.427   1.182
  266    HB2  GLU  36           1HB      GLU  36  -3.315  -4.934   1.048
  267    HB3  GLU  36           2HB      GLU  36  -2.753  -5.167  -0.602
  268    HG2  GLU  36           1HG      GLU  36  -2.650  -7.268   0.477
  269    HG3  GLU  36           2HG      GLU  36  -0.992  -6.693   0.303
  270    H    CYS  37           H        CYS  37  -0.006  -5.285  -1.059
  271    HA   CYS  37           HA       CYS  37   0.267  -2.978  -2.858
  272    HB2  CYS  37           1HB      CYS  37   1.905  -5.498  -2.556
  273    HB3  CYS  37           2HB      CYS  37   2.138  -4.347  -3.867
  274    H    PHE  38           H        PHE  38  -0.185  -3.141  -5.048
  275    HA   PHE  38           HA       PHE  38  -1.001  -5.559  -6.301
  276    HB2  PHE  38           1HB      PHE  38  -3.037  -3.956  -4.946
  277    HB3  PHE  38           2HB      PHE  38  -3.391  -4.218  -6.651
  278    HD1  PHE  38           HD1      PHE  38  -2.703  -6.817  -7.324
  279    HD2  PHE  38           HD2      PHE  38  -4.119  -5.414  -3.563
  280    HE1  PHE  38           HE1      PHE  38  -3.541  -9.070  -6.803
  281    HE2  PHE  38           HE2      PHE  38  -4.960  -7.665  -3.036
  282    HZ   PHE  38           HZ       PHE  38  -4.671  -9.497  -4.656
  283    H    TYR  39           H        TYR  39  -2.157  -4.997  -8.474
  284    HA   TYR  39           HA       TYR  39  -0.430  -3.208  -9.864
  285    HB2  TYR  39           1HB      TYR  39  -2.922  -4.651 -10.788
  286    HB3  TYR  39           2HB      TYR  39  -1.804  -3.796 -11.845
  287    HD1  TYR  39           HD2      TYR  39  -2.093  -6.664  -9.515
  288    HD2  TYR  39           HD1      TYR  39   0.166  -4.837 -12.624
  289    HE1  TYR  39           HE2      TYR  39  -0.740  -8.707  -9.725
  290    HE2  TYR  39           HE1      TYR  39   1.525  -6.875 -12.842
  291    HH   TYR  39           HH       TYR  39   0.731  -9.727 -11.882
  292    H    ASP  40           H        ASP  40  -0.850  -1.232 -10.788
  293    HA   ASP  40           HA       ASP  40  -3.248   0.142  -9.781
  294    HB2  ASP  40           1HB      ASP  40  -1.917   2.236 -10.306
  295    HB3  ASP  40           2HB      ASP  40  -1.286   1.237  -8.999
  296    H    GLU  41           H        GLU  41  -3.570   2.230 -11.359
  297    HA   GLU  41           HA       GLU  41  -4.833   1.224 -13.638
  298    HB2  GLU  41           1HB      GLU  41  -5.181   3.529 -14.289
  299    HB3  GLU  41           2HB      GLU  41  -5.406   3.372 -12.552
  300    HG2  GLU  41           1HG      GLU  41  -3.155   4.258 -12.184
  301    HG3  GLU  41           2HG      GLU  41  -2.947   4.434 -13.926
  302    H    LYS  42           H        LYS  42  -1.558   2.156 -13.100
  303    HA   LYS  42           HA       LYS  42  -0.971   2.266 -15.959
  304    HB2  LYS  42           1HB      LYS  42   0.923   2.642 -13.636
  305    HB3  LYS  42           2HB      LYS  42   1.224   3.045 -15.322
  306    HG2  LYS  42           1HG      LYS  42  -0.433   4.792 -15.248
  307    HG3  LYS  42           2HG      LYS  42  -0.878   4.342 -13.600
  308    HD2  LYS  42           1HD      LYS  42   0.539   6.151 -13.272
  309    HD3  LYS  42           2HD      LYS  42   1.619   4.770 -13.066
  310    HE2  LYS  42           1HE      LYS  42   2.537   5.052 -15.231
  311    HE3  LYS  42           2HE      LYS  42   1.272   6.188 -15.697
  312    HZ1  LYS  42           3HZ      LYS  42   3.395   6.664 -13.675
  313    HZ2  LYS  42           1HZ      LYS  42   2.149   7.746 -14.045
  314    HZ3  LYS  42           2HZ      LYS  42   3.305   7.358 -15.216
  315    H    ARG  43           H        ARG  43  -1.716  -0.211 -14.396
  316    HA   ARG  43           HA       ARG  43  -1.101  -2.399 -14.230
  317    HB2  ARG  43           1HB      ARG  43   0.217  -1.471 -16.756
  318    HB3  ARG  43           2HB      ARG  43   0.489  -3.111 -16.182
  319    HG2  ARG  43           1HG      ARG  43  -2.282  -2.026 -16.521
  320    HG3  ARG  43           2HG      ARG  43  -1.384  -2.709 -17.879
  321    HD2  ARG  43           1HD      ARG  43  -2.034  -4.112 -15.288
  322    HD3  ARG  43           2HD      ARG  43  -2.824  -4.383 -16.841
  323    HE   ARG  43           HE       ARG  43  -0.351  -5.488 -15.970
  324   HH11  ARG  43          1HH1      ARG  43  -2.046  -4.332 -18.783
  325   HH12  ARG  43          2HH1      ARG  43  -1.152  -5.322 -19.889
  326   HH21  ARG  43          1HH2      ARG  43   0.832  -6.795 -17.415
  327   HH22  ARG  43          2HH2      ARG  43   0.484  -6.724 -19.110
  328    H    ASN  44           H        ASN  44   0.485  -0.458 -12.738
  329    HA   ASN  44           HA       ASN  44   3.082  -1.844 -12.651
  330    HB2  ASN  44           1HB      ASN  44   2.565   0.868 -12.830
  331    HB3  ASN  44           2HB      ASN  44   2.893   0.636 -11.115
  332   HD21  ASN  44          2HD2      ASN  44   4.205   0.839 -14.245
  333   HD22  ASN  44          1HD2      ASN  44   5.856   0.548 -13.826
  334    H    LEU  45           H        LEU  45   3.904  -2.557 -10.683
  335    HA   LEU  45           HA       LEU  45   1.888  -3.163  -8.688
  336    HB2  LEU  45           1HB      LEU  45   4.796  -3.937  -8.677
  337    HB3  LEU  45           2HB      LEU  45   3.486  -4.671  -7.754
  338    HG   LEU  45           HG       LEU  45   3.290  -4.759 -10.715
  339   HD11  LEU  45          1HD1      LEU  45   5.698  -5.334  -9.944
  340   HD12  LEU  45          2HD1      LEU  45   4.854  -6.428 -11.040
  341   HD13  LEU  45          3HD1      LEU  45   4.959  -6.811  -9.322
  342   HD21  LEU  45          3HD2      LEU  45   1.499  -5.803  -9.725
  343   HD22  LEU  45          1HD2      LEU  45   2.452  -6.391  -8.363
  344   HD23  LEU  45          2HD2      LEU  45   2.602  -7.163  -9.942
  345    H    GLN  46           H        GLN  46   1.500  -1.789  -7.091
  346    HA   GLN  46           HA       GLN  46   3.770  -0.486  -5.767
  347    HB2  GLN  46           1HB      GLN  46   1.218   0.897  -6.610
  348    HB3  GLN  46           2HB      GLN  46   2.448   1.606  -5.574
  349    HG2  GLN  46           1HG      GLN  46   4.043   1.087  -7.554
  350    HG3  GLN  46           2HG      GLN  46   2.553   1.001  -8.491
  351   HE21  GLN  46          2HE2      GLN  46   4.821   2.914  -8.521
  352   HE22  GLN  46          1HE2      GLN  46   4.101   4.472  -8.325
  353    H    CYS  47           H        CYS  47   2.893   0.658  -3.685
  354    HA   CYS  47           HA       CYS  47   1.267  -1.346  -2.287
  355    HB2  CYS  47           1HB      CYS  47   3.623  -0.706  -1.503
  356    HB3  CYS  47           2HB      CYS  47   2.910   0.819  -0.987
  357    H    ILE  48           H        ILE  48  -0.818  -0.843  -2.177
  358    HA   ILE  48           HA       ILE  48  -1.606   1.973  -1.946
  359    HB   ILE  48           HB       ILE  48  -3.360  -0.421  -2.505
  360   HG12  ILE  48          1HG1      ILE  48  -3.345   0.967  -4.818
  361   HG13  ILE  48          2HG1      ILE  48  -1.713   1.313  -4.258
  362   HG21  ILE  48          1HG2      ILE  48  -3.836   2.526  -2.365
  363   HG22  ILE  48          2HG2      ILE  48  -4.825   1.518  -3.421
  364   HG23  ILE  48          3HG2      ILE  48  -4.786   1.204  -1.686
  365   HD11  ILE  48          3HD1      ILE  48  -2.233  -1.472  -3.949
  366   HD12  ILE  48          1HD1      ILE  48  -2.649  -0.977  -5.590
  367   HD13  ILE  48          2HD1      ILE  48  -1.032  -0.668  -4.957
  368    H    CYS  49           H        CYS  49  -2.390   2.783  -0.111
  369    HA   CYS  49           HA       CYS  49  -2.902   0.930   2.109
  370    HB2  CYS  49           1HB      CYS  49  -2.537   3.914   2.336
  371    HB3  CYS  49           2HB      CYS  49  -2.378   2.700   3.600
  372    H    ASP  50           H        ASP  50  -4.868   0.738   2.993
  373    HA   ASP  50           HA       ASP  50  -6.973   2.574   2.051
  374    HB2  ASP  50           1HB      ASP  50  -7.135   0.171   1.296
  375    HB3  ASP  50           2HB      ASP  50  -7.367  -0.272   2.985
  376    H    TYR  51           H        TYR  51  -7.903   3.806   3.539
  377    HA   TYR  51           HA       TYR  51  -7.834   2.920   6.347
  378    HB2  TYR  51           1HB      TYR  51  -6.205   4.754   5.885
  379    HB3  TYR  51           2HB      TYR  51  -7.551   5.774   5.389
  380    HD1  TYR  51           HD2      TYR  51  -7.153   3.439   8.277
  381    HD2  TYR  51           HD1      TYR  51  -7.799   7.439   6.977
  382    HE1  TYR  51           HE2      TYR  51  -7.477   4.140  10.612
  383    HE2  TYR  51           HE1      TYR  51  -8.123   8.151   9.309
  384    HH   TYR  51           HH       TYR  51  -8.609   7.325  11.436
  385    H    CYS  52           H        CYS  52  -9.837   2.484   6.971
  386    HA   CYS  52           HA       CYS  52 -11.999   4.286   6.097
  387    HB2  CYS  52           1HB      CYS  52 -11.885   1.769   5.263
  388    HB3  CYS  52           2HB      CYS  52 -12.604   1.459   6.840
  389    H    GLU  53           H        GLU  53 -13.472   4.944   7.619
  390    HA   GLU  53           HA       GLU  53 -13.042   4.007  10.376
  391    HB2  GLU  53           1HB      GLU  53 -13.386   6.303  11.178
  392    HB3  GLU  53           2HB      GLU  53 -11.981   6.188  10.126
  393    HG2  GLU  53           1HG      GLU  53 -12.886   8.039   9.223
  394    HG3  GLU  53           2HG      GLU  53 -13.814   6.854   8.304
  395    H    TYR  54           H        TYR  54 -14.829   3.273  11.306
  396    HA   TYR  54           HA       TYR  54 -17.333   3.289  10.004
  397    HB2  TYR  54           1HB      TYR  54 -16.803   2.709  12.923
  398    HB3  TYR  54           2HB      TYR  54 -18.181   2.169  11.971
  399    HD1  TYR  54           HD2      TYR  54 -17.538   0.748   9.829
  400    HD2  TYR  54           HD1      TYR  54 -15.052   1.238  13.247
  401    HE1  TYR  54           HE2      TYR  54 -16.328  -1.309   9.237
  402    HE2  TYR  54           HE1      TYR  54 -13.834  -0.817  12.664
  403    HH   TYR  54           HH       TYR  54 -13.896  -2.689  11.369
  Start of MODEL   16
    1    H1   ASP   2           H        ASP   2 -18.693   5.901   4.475
    2    HA   ASP   2           HA       ASP   2 -17.109   4.175   3.223
    3    HB2  ASP   2           1HB      ASP   2 -17.405   7.127   2.809
    4    HB3  ASP   2           2HB      ASP   2 -16.274   6.222   1.807
    5    H    CYS   3           H        CYS   3 -14.869   4.182   2.469
    6    HA   CYS   3           HA       CYS   3 -13.036   5.202   4.540
    7    HB2  CYS   3           1HB      CYS   3 -12.525   2.802   2.783
    8    HB3  CYS   3           2HB      CYS   3 -11.658   3.282   4.238
    9    H    LYS   4           H        LYS   4 -10.690   5.274   3.635
   10    HA   LYS   4           HA       LYS   4 -10.764   6.528   0.968
   11    HB2  LYS   4           1HB      LYS   4  -9.235   8.196   1.678
   12    HB3  LYS   4           2HB      LYS   4 -10.471   8.110   2.926
   13    HG2  LYS   4           1HG      LYS   4  -8.843   7.893   4.411
   14    HG3  LYS   4           2HG      LYS   4  -8.509   6.300   3.727
   15    HD2  LYS   4           1HD      LYS   4  -6.451   7.201   3.428
   16    HD3  LYS   4           2HD      LYS   4  -7.196   7.823   1.954
   17    HE2  LYS   4           1HE      LYS   4  -7.609   9.941   2.974
   18    HE3  LYS   4           2HE      LYS   4  -7.139   9.333   4.561
   19    HZ1  LYS   4           3HZ      LYS   4  -5.470  10.717   3.191
   20    HZ2  LYS   4           1HZ      LYS   4  -5.211   9.279   2.336
   21    HZ3  LYS   4           2HZ      LYS   4  -4.919   9.338   4.001
   22    H    ARG   5           H        ARG   5  -8.870   6.335  -0.320
   23    HA   ARG   5           HA       ARG   5  -6.810   4.479   0.572
   24    HB2  ARG   5           1HB      ARG   5  -7.059   3.130  -1.529
   25    HB3  ARG   5           2HB      ARG   5  -8.376   2.942  -0.378
   26    HG2  ARG   5           1HG      ARG   5  -9.497   3.124  -2.377
   27    HG3  ARG   5           2HG      ARG   5  -9.535   4.784  -1.783
   28    HD2  ARG   5           1HD      ARG   5  -8.317   5.528  -3.500
   29    HD3  ARG   5           2HD      ARG   5  -7.150   4.215  -3.341
   30    HE   ARG   5           HE       ARG   5  -9.613   3.365  -4.521
   31   HH11  ARG   5          1HH1      ARG   5  -6.556   4.904  -5.158
   32   HH12  ARG   5          2HH1      ARG   5  -6.534   4.461  -6.834
   33   HH21  ARG   5          1HH2      ARG   5  -9.596   2.775  -6.725
   34   HH22  ARG   5          2HH2      ARG   5  -8.264   3.251  -7.723
   35    H    LYS   6           H        LYS   6  -4.870   4.660  -0.549
   36    HA   LYS   6           HA       LYS   6  -4.662   6.347  -2.879
   37    HB2  LYS   6           1HB      LYS   6  -4.706   8.080  -1.215
   38    HB3  LYS   6           2HB      LYS   6  -3.537   7.224  -0.218
   39    HG2  LYS   6           1HG      LYS   6  -1.769   7.714  -1.662
   40    HG3  LYS   6           2HG      LYS   6  -2.853   8.148  -2.985
   41    HD2  LYS   6           1HD      LYS   6  -2.874   9.700  -0.422
   42    HD3  LYS   6           2HD      LYS   6  -1.664  10.031  -1.663
   43    HE2  LYS   6           1HE      LYS   6  -3.207  10.854  -3.139
   44    HE3  LYS   6           2HE      LYS   6  -4.516   9.868  -2.490
   45    HZ1  LYS   6           3HZ      LYS   6  -4.002  12.531  -1.955
   46    HZ2  LYS   6           1HZ      LYS   6  -3.605  11.700  -0.535
   47    HZ3  LYS   6           2HZ      LYS   6  -5.150  11.539  -1.206
   48    H    VAL   7           H        VAL   7  -2.765   6.036  -4.007
   49    HA   VAL   7           HA       VAL   7  -1.070   3.858  -3.009
   50    HB   VAL   7           HB       VAL   7  -2.083   3.430  -5.171
   51   HG11  VAL   7          1HG1      VAL   7  -0.696   5.242  -6.857
   52   HG12  VAL   7          2HG1      VAL   7  -2.437   5.060  -6.635
   53   HG13  VAL   7          3HG1      VAL   7  -1.529   6.178  -5.617
   54   HG21  VAL   7          3HG2      VAL   7   0.831   4.041  -5.617
   55   HG22  VAL   7          1HG2      VAL   7   0.260   2.675  -4.660
   56   HG23  VAL   7          2HG2      VAL   7  -0.139   2.778  -6.375
   57    H    TYR   8           H        TYR   8   1.114   4.057  -2.794
   58    HA   TYR   8           HA       TYR   8   2.264   6.717  -3.329
   59    HB2  TYR   8           1HB      TYR   8   1.846   5.787  -0.844
   60    HB3  TYR   8           2HB      TYR   8   3.426   5.073  -1.147
   61    HD1  TYR   8           HD1      TYR   8   1.867   8.385  -1.933
   62    HD2  TYR   8           HD2      TYR   8   5.106   6.284  -0.144
   63    HE1  TYR   8           HE1      TYR   8   2.937  10.527  -1.368
   64    HE2  TYR   8           HE2      TYR   8   6.184   8.419   0.427
   65    HH   TYR   8           HH       TYR   8   6.046  10.885  -0.610
   66    H    GLU   9           H        GLU   9   3.143   6.084  -5.306
   67    HA   GLU   9           HA       GLU   9   4.608   3.756  -5.790
   68    HB2  GLU   9           1HB      GLU   9   5.340   4.776  -7.795
   69    HB3  GLU   9           2HB      GLU   9   3.735   5.425  -7.491
   70    HG2  GLU   9           1HG      GLU   9   4.966   7.379  -6.366
   71    HG3  GLU   9           2HG      GLU   9   6.390   6.772  -7.208
   72    H    ASN  10           H        ASN  10   5.442   6.599  -4.052
   73    HA   ASN  10           HA       ASN  10   8.213   6.663  -4.323
   74    HB2  ASN  10           1HB      ASN  10   6.234   7.701  -2.428
   75    HB3  ASN  10           2HB      ASN  10   7.803   7.382  -1.693
   76   HD21  ASN  10          2HD2      ASN  10   9.690   8.310  -2.812
   77   HD22  ASN  10          1HD2      ASN  10   9.513   9.860  -3.556
   78    H    TYR  11           H        TYR  11   6.182   4.427  -2.652
   79    HA   TYR  11           HA       TYR  11   8.149   3.405  -0.860
   80    HB2  TYR  11           1HB      TYR  11   5.430   2.557  -1.754
   81    HB3  TYR  11           2HB      TYR  11   6.453   1.372  -0.951
   82    HD1  TYR  11           HD1      TYR  11   7.790   2.787   1.137
   83    HD2  TYR  11           HD2      TYR  11   3.817   3.315  -0.290
   84    HE1  TYR  11           HE1      TYR  11   7.131   3.695   3.325
   85    HE2  TYR  11           HE2      TYR  11   3.146   4.225   1.893
   86    HH   TYR  11           HH       TYR  11   5.076   5.414   4.060
   87    HA   PRO  12           HA       PRO  12  10.463   0.715  -3.444
   88    HB2  PRO  12           1HB      PRO  12  11.026  -1.305  -1.721
   89    HB3  PRO  12           2HB      PRO  12  11.782   0.290  -1.612
   90    HG2  PRO  12           1HG      PRO  12   9.484  -0.827  -0.053
   91    HG3  PRO  12           2HG      PRO  12  10.862   0.131   0.518
   92    HD2  PRO  12           1HD      PRO  12   8.419   1.212   0.074
   93    HD3  PRO  12           2HD      PRO  12   9.925   2.120  -0.173
   94    H    VAL  13           H        VAL  13   9.601  -0.426  -5.056
   95    HA   VAL  13           HA       VAL  13   7.258  -2.003  -4.805
   96    HB   VAL  13           HB       VAL  13   9.266  -2.102  -7.056
   97   HG11  VAL  13          1HG1      VAL  13   7.810  -3.848  -7.445
   98   HG12  VAL  13          2HG1      VAL  13   6.442  -3.011  -6.709
   99   HG13  VAL  13          3HG1      VAL  13   7.019  -2.527  -8.305
  100   HG21  VAL  13          3HG2      VAL  13   7.701  -0.419  -8.120
  101   HG22  VAL  13          1HG2      VAL  13   7.022  -0.174  -6.511
  102   HG23  VAL  13          2HG2      VAL  13   8.722   0.186  -6.816
  103    H    SER  14           H        SER  14  10.530  -2.646  -4.156
  104    HA   SER  14           HA       SER  14  10.578  -5.428  -4.754
  105    HB2  SER  14           1HB      SER  14  12.372  -3.464  -3.589
  106    HB3  SER  14           2HB      SER  14  12.441  -4.997  -2.718
  107    HG   SER  14           HG       SER  14  13.326  -4.369  -5.230
  108    H    LYS  15           H        LYS  15   9.526  -3.536  -2.028
  109    HA   LYS  15           HA       LYS  15   9.329  -5.818  -0.260
  110    HB2  LYS  15           1HB      LYS  15   8.786  -2.891  -0.041
  111    HB3  LYS  15           2HB      LYS  15   8.000  -3.974   1.100
  112    HG2  LYS  15           1HG      LYS  15  10.067  -3.078   2.010
  113    HG3  LYS  15           2HG      LYS  15  10.167  -4.828   1.806
  114    HD2  LYS  15           1HD      LYS  15  11.573  -4.642  -0.062
  115    HD3  LYS  15           2HD      LYS  15  11.176  -2.939  -0.300
  116    HE2  LYS  15           1HE      LYS  15  13.330  -2.931   0.629
  117    HE3  LYS  15           2HE      LYS  15  12.258  -2.541   1.973
  118    HZ1  LYS  15           3HZ      LYS  15  12.402  -4.799   2.741
  119    HZ2  LYS  15           1HZ      LYS  15  13.968  -4.187   2.551
  120    HZ3  LYS  15           2HZ      LYS  15  13.331  -5.251   1.401
  121    H    CYS  16           H        CYS  16   7.468  -4.506  -2.732
  122    HA   CYS  16           HA       CYS  16   4.851  -4.695  -1.902
  123    HB2  CYS  16           1HB      CYS  16   5.310  -3.866  -4.089
  124    HB3  CYS  16           2HB      CYS  16   6.107  -5.363  -4.562
  125    H    GLN  17           H        GLN  17   7.022  -7.289  -2.913
  126    HA   GLN  17           HA       GLN  17   5.218  -9.389  -3.065
  127    HB2  GLN  17           1HB      GLN  17   7.108 -10.865  -2.692
  128    HB3  GLN  17           2HB      GLN  17   7.588  -9.536  -3.738
  129    HG2  GLN  17           1HG      GLN  17   8.230  -8.548  -1.292
  130    HG3  GLN  17           2HG      GLN  17   8.524 -10.271  -1.063
  131   HE21  GLN  17          2HE2      GLN  17  10.739 -10.004  -0.913
  132   HE22  GLN  17          1HE2      GLN  17  11.723  -9.615  -2.278
  133    H    LEU  18           H        LEU  18   6.704  -7.899  -0.257
  134    HA   LEU  18           HA       LEU  18   5.839  -9.887   1.602
  135    HB2  LEU  18           1HB      LEU  18   7.042  -7.170   1.779
  136    HB3  LEU  18           2HB      LEU  18   6.268  -7.841   3.213
  137    HG   LEU  18           HG       LEU  18   8.784  -8.132   3.004
  138   HD11  LEU  18          1HD1      LEU  18   7.935  -9.416   4.682
  139   HD12  LEU  18          2HD1      LEU  18   8.485 -10.693   3.597
  140   HD13  LEU  18          3HD1      LEU  18   6.782 -10.234   3.628
  141   HD21  LEU  18          3HD2      LEU  18   8.847  -8.741   0.642
  142   HD22  LEU  18          1HD2      LEU  18   7.916 -10.200   0.986
  143   HD23  LEU  18          2HD2      LEU  18   9.542 -10.017   1.644
  144    H    ALA  19           H        ALA  19   3.992 -10.033   2.743
  145    HA   ALA  19           HA       ALA  19   1.837  -8.196   2.050
  146    HB1  ALA  19           3HB      ALA  19   0.656 -10.034   3.635
  147    HB2  ALA  19           1HB      ALA  19   0.868 -10.221   1.894
  148    HB3  ALA  19           2HB      ALA  19   2.012 -10.972   3.009
  149    H    ASN  20           H        ASN  20   3.839  -9.094   4.755
  150    HA   ASN  20           HA       ASN  20   2.209  -7.592   6.641
  151    HB2  ASN  20           1HB      ASN  20   4.525  -9.456   6.843
  152    HB3  ASN  20           2HB      ASN  20   4.319  -8.266   8.126
  153   HD21  ASN  20          2HD2      ASN  20   3.977 -11.267   7.905
  154   HD22  ASN  20          1HD2      ASN  20   2.422 -11.560   8.600
  155    H    GLN  21           H        GLN  21   4.811  -7.058   4.532
  156    HA   GLN  21           HA       GLN  21   6.064  -4.957   6.054
  157    HB2  GLN  21           1HB      GLN  21   7.262  -6.415   4.385
  158    HB3  GLN  21           2HB      GLN  21   6.393  -5.565   3.115
  159    HG2  GLN  21           1HG      GLN  21   8.356  -4.405   3.139
  160    HG3  GLN  21           2HG      GLN  21   7.394  -3.441   4.258
  161   HE21  GLN  21          2HE2      GLN  21   8.394  -2.895   6.047
  162   HE22  GLN  21          1HE2      GLN  21   9.670  -3.768   6.814
  163    H    CYS  22           H        CYS  22   3.890  -5.165   3.266
  164    HA   CYS  22           HA       CYS  22   3.768  -2.404   2.725
  165    HB2  CYS  22           1HB      CYS  22   2.486  -4.804   1.788
  166    HB3  CYS  22           2HB      CYS  22   1.281  -3.542   2.022
  167    H    ASN  23           H        ASN  23   1.276  -4.436   4.277
  168    HA   ASN  23           HA       ASN  23  -0.369  -2.403   5.165
  169    HB2  ASN  23           1HB      ASN  23  -1.463  -4.002   6.431
  170    HB3  ASN  23           2HB      ASN  23  -0.609  -5.019   5.275
  171   HD21  ASN  23          2HD2      ASN  23  -1.419  -4.820   8.380
  172   HD22  ASN  23          1HD2      ASN  23  -0.094  -5.653   9.112
  173    H    TYR  24           H        TYR  24   2.636  -3.559   6.510
  174    HA   TYR  24           HA       TYR  24   2.385  -2.338   9.059
  175    HB2  TYR  24           1HB      TYR  24   3.975  -4.100   8.827
  176    HB3  TYR  24           2HB      TYR  24   4.772  -3.296   7.481
  177    HD1  TYR  24           HD1      TYR  24   4.121  -3.015  11.128
  178    HD2  TYR  24           HD2      TYR  24   6.577  -1.846   7.856
  179    HE1  TYR  24           HE1      TYR  24   5.706  -1.976  12.696
  180    HE2  TYR  24           HE2      TYR  24   8.169  -0.804   9.416
  181    HH   TYR  24           HH       TYR  24   8.806  -0.783  11.655
  182    H    ASP  25           H        ASP  25   4.102  -1.364   6.098
  183    HA   ASP  25           HA       ASP  25   4.998   1.120   7.115
  184    HB2  ASP  25           1HB      ASP  25   4.639   0.097   4.297
  185    HB3  ASP  25           2HB      ASP  25   5.329   1.676   4.665
  186    H    CYS  26           H        CYS  26   2.027   0.077   5.630
  187    HA   CYS  26           HA       CYS  26   1.070   2.730   5.073
  188    HB2  CYS  26           1HB      CYS  26  -0.178  -0.009   5.007
  189    HB3  CYS  26           2HB      CYS  26  -1.148   1.444   4.778
  190    H    LYS  27           H        LYS  27   0.152   0.203   7.413
  191    HA   LYS  27           HA       LYS  27  -1.635   1.855   8.862
  192    HB2  LYS  27           1HB      LYS  27  -0.188  -0.649   9.748
  193    HB3  LYS  27           2HB      LYS  27  -1.560   0.082  10.572
  194    HG2  LYS  27           1HG      LYS  27  -3.059  -0.600   8.975
  195    HG3  LYS  27           2HG      LYS  27  -1.834  -0.690   7.707
  196    HD2  LYS  27           1HD      LYS  27  -2.260  -2.924   8.147
  197    HD3  LYS  27           2HD      LYS  27  -0.846  -2.607   9.154
  198    HE2  LYS  27           1HE      LYS  27  -2.702  -1.997  10.936
  199    HE3  LYS  27           2HE      LYS  27  -3.680  -3.070   9.935
  200    HZ1  LYS  27           3HZ      LYS  27  -2.140  -4.837  10.284
  201    HZ2  LYS  27           1HZ      LYS  27  -2.527  -4.192  11.800
  202    HZ3  LYS  27           2HZ      LYS  27  -1.044  -3.820  11.076
  203    H    LEU  28           H        LEU  28   1.717   1.848   8.686
  204    HA   LEU  28           HA       LEU  28   2.260   2.639  11.398
  205    HB2  LEU  28           1HB      LEU  28   4.017   1.524  10.302
  206    HB3  LEU  28           2HB      LEU  28   3.886   2.551   8.877
  207    HG   LEU  28           HG       LEU  28   4.844   4.417  10.099
  208   HD11  LEU  28          1HD1      LEU  28   4.385   4.404  12.299
  209   HD12  LEU  28          2HD1      LEU  28   5.901   3.510  12.413
  210   HD13  LEU  28          3HD1      LEU  28   4.365   2.643  12.396
  211   HD21  LEU  28          3HD2      LEU  28   6.999   3.718   9.909
  212   HD22  LEU  28          1HD2      LEU  28   6.206   2.359   9.109
  213   HD23  LEU  28          2HD2      LEU  28   6.711   2.218  10.793
  214    H    ASP  29           H        ASP  29   2.655   4.346   8.288
  215    HA   ASP  29           HA       ASP  29   2.448   6.894   9.700
  216    HB2  ASP  29           1HB      ASP  29   3.592   5.992   7.126
  217    HB3  ASP  29           2HB      ASP  29   2.859   7.594   7.113
  218    H    LYS  30           H        LYS  30   1.001   5.291   6.867
  219    HA   LYS  30           HA       LYS  30  -1.040   7.248   6.540
  220    HB2  LYS  30           1HB      LYS  30  -1.169   4.414   5.527
  221    HB3  LYS  30           2HB      LYS  30  -1.900   5.852   4.829
  222    HG2  LYS  30           1HG      LYS  30   1.027   5.162   4.902
  223    HG3  LYS  30           2HG      LYS  30  -0.029   5.196   3.489
  224    HD2  LYS  30           1HD      LYS  30   0.707   7.572   5.200
  225    HD3  LYS  30           2HD      LYS  30   1.381   7.196   3.611
  226    HE2  LYS  30           1HE      LYS  30  -0.889   7.366   2.651
  227    HE3  LYS  30           2HE      LYS  30  -1.502   7.827   4.238
  228    HZ1  LYS  30           3HZ      LYS  30  -0.698   9.569   2.380
  229    HZ2  LYS  30           1HZ      LYS  30   0.729   9.399   3.272
  230    HZ3  LYS  30           2HZ      LYS  30  -0.693   9.895   4.040
  231    H    HIS  31           H        HIS  31  -0.606   4.842   8.819
  232    HA   HIS  31           HA       HIS  31  -1.950   3.803  10.342
  233    HB2  HIS  31           1HB      HIS  31  -2.348   6.391  10.627
  234    HB3  HIS  31           2HB      HIS  31  -3.959   6.000  10.033
  235    HD1  HIS  31           HD1      HIS  31  -4.930   6.656  12.367
  236    HD2  HIS  31           HD2      HIS  31  -2.328   3.416  12.415
  237    HE1  HIS  31           HE1      HIS  31  -5.257   5.563  14.609
  238    H    ALA  32           H        ALA  32  -2.415   3.213   7.497
  239    HA   ALA  32           HA       ALA  32  -5.143   2.980   6.898
  240    HB1  ALA  32           3HB      ALA  32  -4.392   2.115   4.989
  241    HB2  ALA  32           1HB      ALA  32  -2.766   2.357   5.628
  242    HB3  ALA  32           2HB      ALA  32  -3.567   0.799   5.822
  243    H    ARG  33           H        ARG  33  -5.574   0.304   6.292
  244    HA   ARG  33           HA       ARG  33  -5.522  -1.041   8.905
  245    HB2  ARG  33           1HB      ARG  33  -7.927  -1.004   7.079
  246    HB3  ARG  33           2HB      ARG  33  -7.823  -1.710   8.686
  247    HG2  ARG  33           1HG      ARG  33  -7.235   0.749   9.384
  248    HG3  ARG  33           2HG      ARG  33  -8.062   1.141   7.875
  249    HD2  ARG  33           1HD      ARG  33 -10.054   0.011   8.615
  250    HD3  ARG  33           2HD      ARG  33  -9.232  -0.575  10.060
  251    HE   ARG  33           HE       ARG  33 -10.405   2.004   9.675
  252   HH11  ARG  33          1HH1      ARG  33  -7.900   0.261  11.351
  253   HH12  ARG  33          2HH1      ARG  33  -7.813   1.388  12.663
  254   HH21  ARG  33          1HH2      ARG  33 -10.300   3.495  11.398
  255   HH22  ARG  33          2HH2      ARG  33  -9.180   3.226  12.690
  256    H    SER  34           H        SER  34  -5.942  -1.333   5.411
  257    HA   SER  34           HA       SER  34  -4.894  -4.078   5.595
  258    HB2  SER  34           1HB      SER  34  -7.371  -3.953   5.047
  259    HB3  SER  34           2HB      SER  34  -6.908  -3.182   3.529
  260    HG   SER  34           HG       SER  34  -6.003  -5.025   2.846
  261    H    GLY  35           H        GLY  35  -3.319  -1.782   5.228
  262    HA2  GLY  35           1HA      GLY  35  -2.763  -0.951   2.669
  263    HA3  GLY  35           2HA      GLY  35  -1.540  -1.143   3.917
  264    H    GLU  36           H        GLU  36  -2.337  -2.011   0.860
  265    HA   GLU  36           HA       GLU  36  -0.396  -4.164   0.863
  266    HB2  GLU  36           1HB      GLU  36  -2.921  -4.982   1.186
  267    HB3  GLU  36           2HB      GLU  36  -2.921  -4.819  -0.565
  268    HG2  GLU  36           1HG      GLU  36  -2.389  -7.093   0.162
  269    HG3  GLU  36           2HG      GLU  36  -1.073  -6.357  -0.751
  270    H    CYS  37           H        CYS  37   0.142  -4.863  -1.376
  271    HA   CYS  37           HA       CYS  37  -0.044  -2.561  -3.189
  272    HB2  CYS  37           1HB      CYS  37   1.999  -3.252  -4.158
  273    HB3  CYS  37           2HB      CYS  37   2.216  -3.464  -2.424
  274    H    PHE  38           H        PHE  38  -0.415  -2.894  -5.436
  275    HA   PHE  38           HA       PHE  38  -1.147  -5.439  -6.485
  276    HB2  PHE  38           1HB      PHE  38  -3.243  -3.716  -5.329
  277    HB3  PHE  38           2HB      PHE  38  -3.580  -4.305  -6.954
  278    HD1  PHE  38           HD1      PHE  38  -2.737  -6.948  -7.132
  279    HD2  PHE  38           HD2      PHE  38  -4.270  -4.946  -3.704
  280    HE1  PHE  38           HE1      PHE  38  -3.459  -9.106  -6.198
  281    HE2  PHE  38           HE2      PHE  38  -4.994  -7.101  -2.764
  282    HZ   PHE  38           HZ       PHE  38  -4.590  -9.185  -4.012
  283    H    TYR  39           H        TYR  39  -1.763  -5.336  -8.735
  284    HA   TYR  39           HA       TYR  39  -0.298  -3.470 -10.208
  285    HB2  TYR  39           1HB      TYR  39  -1.551  -4.371 -12.181
  286    HB3  TYR  39           2HB      TYR  39  -0.819  -5.610 -11.168
  287    HD1  TYR  39           HD2      TYR  39  -4.012  -3.983 -12.067
  288    HD2  TYR  39           HD1      TYR  39  -2.150  -7.246 -10.071
  289    HE1  TYR  39           HE2      TYR  39  -6.197  -5.092 -11.855
  290    HE2  TYR  39           HE1      TYR  39  -4.329  -8.366  -9.854
  291    HH   TYR  39           HH       TYR  39  -7.117  -7.009 -10.015
  292    H    ASP  40           H        ASP  40  -0.825  -1.631 -11.323
  293    HA   ASP  40           HA       ASP  40  -3.407  -0.415 -10.619
  294    HB2  ASP  40           1HB      ASP  40  -2.227   1.743 -11.266
  295    HB3  ASP  40           2HB      ASP  40  -1.638   0.943  -9.812
  296    H    GLU  41           H        GLU  41  -3.810   1.476 -12.403
  297    HA   GLU  41           HA       GLU  41  -4.705   0.099 -14.696
  298    HB2  GLU  41           1HB      GLU  41  -5.498   2.209 -15.480
  299    HB3  GLU  41           2HB      GLU  41  -5.715   2.191 -13.735
  300    HG2  GLU  41           1HG      GLU  41  -3.617   3.489 -13.511
  301    HG3  GLU  41           2HG      GLU  41  -3.540   3.592 -15.268
  302    H    LYS  42           H        LYS  42  -1.704   1.547 -13.913
  303    HA   LYS  42           HA       LYS  42  -0.880   1.761 -16.707
  304    HB2  LYS  42           1HB      LYS  42   0.757   2.356 -14.241
  305    HB3  LYS  42           2HB      LYS  42   1.095   2.857 -15.892
  306    HG2  LYS  42           1HG      LYS  42  -1.103   4.140 -15.776
  307    HG3  LYS  42           2HG      LYS  42  -1.033   3.862 -14.035
  308    HD2  LYS  42           1HD      LYS  42  -0.014   5.937 -14.271
  309    HD3  LYS  42           2HD      LYS  42   1.360   4.829 -14.216
  310    HE2  LYS  42           1HE      LYS  42   1.446   4.848 -16.673
  311    HE3  LYS  42           2HE      LYS  42   0.101   5.988 -16.702
  312    HZ1  LYS  42           3HZ      LYS  42   2.389   6.749 -15.079
  313    HZ2  LYS  42           1HZ      LYS  42   1.415   7.693 -16.090
  314    HZ3  LYS  42           2HZ      LYS  42   2.643   6.736 -16.752
  315    H    ARG  43           H        ARG  43  -1.398  -0.810 -15.179
  316    HA   ARG  43           HA       ARG  43  -0.509  -2.897 -14.985
  317    HB2  ARG  43           1HB      ARG  43   1.024  -1.770 -17.315
  318    HB3  ARG  43           2HB      ARG  43   1.295  -3.412 -16.751
  319    HG2  ARG  43           1HG      ARG  43  -0.260  -3.826 -18.347
  320    HG3  ARG  43           2HG      ARG  43  -1.336  -3.539 -16.978
  321    HD2  ARG  43           1HD      ARG  43  -2.135  -2.319 -18.900
  322    HD3  ARG  43           2HD      ARG  43  -1.553  -1.185 -17.682
  323    HE   ARG  43           HE       ARG  43   0.536  -1.747 -19.467
  324   HH11  ARG  43          1HH1      ARG  43  -2.544  -0.124 -19.383
  325   HH12  ARG  43          2HH1      ARG  43  -2.123   1.017 -20.617
  326   HH21  ARG  43          1HH2      ARG  43   1.100  -0.250 -21.093
  327   HH22  ARG  43          2HH2      ARG  43  -0.050   0.944 -21.589
  328    H    ASN  44           H        ASN  44   0.662  -0.701 -13.389
  329    HA   ASN  44           HA       ASN  44   3.372  -1.774 -12.978
  330    HB2  ASN  44           1HB      ASN  44   2.176   0.938 -12.606
  331    HB3  ASN  44           2HB      ASN  44   3.495   0.453 -11.546
  332   HD21  ASN  44          2HD2      ASN  44   4.203   2.482 -12.868
  333   HD22  ASN  44          1HD2      ASN  44   5.160   2.129 -14.263
  334    H    LEU  45           H        LEU  45   4.112  -2.058 -10.791
  335    HA   LEU  45           HA       LEU  45   1.925  -2.826  -8.990
  336    HB2  LEU  45           1HB      LEU  45   4.788  -3.598  -8.600
  337    HB3  LEU  45           2HB      LEU  45   3.330  -4.419  -8.045
  338    HG   LEU  45           HG       LEU  45   4.400  -4.351 -10.866
  339   HD11  LEU  45          1HD1      LEU  45   4.607  -6.227  -8.612
  340   HD12  LEU  45          2HD1      LEU  45   5.664  -5.998 -10.005
  341   HD13  LEU  45          3HD1      LEU  45   4.188  -6.950 -10.166
  342   HD21  LEU  45          3HD2      LEU  45   2.475  -6.204 -10.937
  343   HD22  LEU  45          1HD2      LEU  45   2.194  -4.513 -11.351
  344   HD23  LEU  45          2HD2      LEU  45   1.769  -5.110  -9.747
  345    H    GLN  46           H        GLN  46   1.506  -1.586  -7.296
  346    HA   GLN  46           HA       GLN  46   3.696  -0.163  -5.976
  347    HB2  GLN  46           1HB      GLN  46   1.085   1.220  -6.562
  348    HB3  GLN  46           2HB      GLN  46   2.577   1.928  -5.960
  349    HG2  GLN  46           1HG      GLN  46   3.652   1.598  -8.084
  350    HG3  GLN  46           2HG      GLN  46   2.243   0.734  -8.701
  351   HE21  GLN  46          2HE2      GLN  46   0.156   2.054  -8.482
  352   HE22  GLN  46          1HE2      GLN  46   0.256   3.702  -8.990
  353    H    CYS  47           H        CYS  47   3.132   0.595  -3.809
  354    HA   CYS  47           HA       CYS  47   1.330  -1.297  -2.510
  355    HB2  CYS  47           1HB      CYS  47   3.714  -0.894  -1.728
  356    HB3  CYS  47           2HB      CYS  47   3.170   0.685  -1.169
  357    H    ILE  48           H        ILE  48  -0.719  -0.677  -2.322
  358    HA   ILE  48           HA       ILE  48  -1.327   2.162  -1.896
  359    HB   ILE  48           HB       ILE  48  -3.230  -0.078  -2.586
  360   HG12  ILE  48          1HG1      ILE  48  -3.133   1.557  -4.774
  361   HG13  ILE  48          2HG1      ILE  48  -1.459   1.605  -4.231
  362   HG21  ILE  48          1HG2      ILE  48  -4.325   1.758  -1.456
  363   HG22  ILE  48          2HG2      ILE  48  -3.579   2.915  -2.557
  364   HG23  ILE  48          3HG2      ILE  48  -4.766   1.761  -3.163
  365   HD11  ILE  48          3HD1      ILE  48  -2.307  -1.092  -4.163
  366   HD12  ILE  48          1HD1      ILE  48  -2.788  -0.407  -5.716
  367   HD13  ILE  48          2HD1      ILE  48  -1.101  -0.341  -5.208
  368    H    CYS  49           H        CYS  49  -2.628   2.859  -0.199
  369    HA   CYS  49           HA       CYS  49  -2.991   0.911   1.984
  370    HB2  CYS  49           1HB      CYS  49  -2.576   3.871   2.380
  371    HB3  CYS  49           2HB      CYS  49  -2.463   2.586   3.579
  372    H    ASP  50           H        ASP  50  -4.824   1.177   3.339
  373    HA   ASP  50           HA       ASP  50  -6.936   2.926   2.277
  374    HB2  ASP  50           1HB      ASP  50  -6.943   0.240   1.812
  375    HB3  ASP  50           2HB      ASP  50  -7.851   0.324   3.319
  376    H    TYR  51           H        TYR  51  -7.936   4.085   3.792
  377    HA   TYR  51           HA       TYR  51  -7.669   3.228   6.600
  378    HB2  TYR  51           1HB      TYR  51  -6.284   5.232   5.974
  379    HB3  TYR  51           2HB      TYR  51  -7.782   6.088   5.629
  380    HD1  TYR  51           HD2      TYR  51  -7.023   3.753   8.427
  381    HD2  TYR  51           HD1      TYR  51  -7.872   7.755   7.261
  382    HE1  TYR  51           HE2      TYR  51  -7.190   4.401  10.793
  383    HE2  TYR  51           HE1      TYR  51  -8.041   8.415   9.624
  384    HH   TYR  51           HH       TYR  51  -8.621   6.675  11.981
  385    H    CYS  52           H        CYS  52  -9.536   2.790   7.545
  386    HA   CYS  52           HA       CYS  52 -12.002   3.889   6.392
  387    HB2  CYS  52           1HB      CYS  52 -11.422   1.447   8.053
  388    HB3  CYS  52           2HB      CYS  52 -13.060   2.068   7.881
  389    H    GLU  53           H        GLU  53 -13.373   5.144   7.547
  390    HA   GLU  53           HA       GLU  53 -12.533   5.848  10.280
  391    HB2  GLU  53           1HB      GLU  53 -12.606   7.568   8.276
  392    HB3  GLU  53           2HB      GLU  53 -14.320   7.616   8.667
  393    HG2  GLU  53           1HG      GLU  53 -12.049   8.234  10.543
  394    HG3  GLU  53           2HG      GLU  53 -13.130   9.402   9.786
  395    H    TYR  54           H        TYR  54 -13.740   4.575  11.578
  396    HA   TYR  54           HA       TYR  54 -16.356   3.709  11.081
  397    HB2  TYR  54           1HB      TYR  54 -14.616   2.875  12.818
  398    HB3  TYR  54           2HB      TYR  54 -15.303   4.111  13.866
  399    HD1  TYR  54           HD1      TYR  54 -16.429   1.305  11.666
  400    HD2  TYR  54           HD2      TYR  54 -17.036   3.498  15.261
  401    HE1  TYR  54           HE1      TYR  54 -18.231  -0.243  12.298
  402    HE2  TYR  54           HE2      TYR  54 -18.841   1.956  15.904
  403    HH   TYR  54           HH       TYR  54 -19.290  -0.815  15.028
  Start of MODEL   17
    1    H1   ASP   2           H        ASP   2 -16.330   6.961   1.804
    2    HA   ASP   2           HA       ASP   2 -16.800   7.484   4.666
    3    HB2  ASP   2           1HB      ASP   2 -17.092   4.874   3.162
    4    HB3  ASP   2           2HB      ASP   2 -17.293   5.073   4.902
    5    H    CYS   3           H        CYS   3 -14.769   5.850   2.290
    6    HA   CYS   3           HA       CYS   3 -12.646   5.693   4.328
    7    HB2  CYS   3           1HB      CYS   3 -12.846   3.786   2.007
    8    HB3  CYS   3           2HB      CYS   3 -11.907   3.618   3.486
    9    H    LYS   4           H        LYS   4 -10.427   5.419   3.195
   10    HA   LYS   4           HA       LYS   4 -10.291   7.085   0.780
   11    HB2  LYS   4           1HB      LYS   4  -8.233   7.459   2.914
   12    HB3  LYS   4           2HB      LYS   4  -8.766   8.580   1.667
   13    HG2  LYS   4           1HG      LYS   4 -11.031   8.391   3.083
   14    HG3  LYS   4           2HG      LYS   4  -9.855   8.079   4.362
   15    HD2  LYS   4           1HD      LYS   4  -8.801  10.160   4.043
   16    HD3  LYS   4           2HD      LYS   4  -9.591  10.413   2.484
   17    HE2  LYS   4           1HE      LYS   4 -11.655  10.886   3.482
   18    HE3  LYS   4           2HE      LYS   4 -11.174  10.178   5.023
   19    HZ1  LYS   4           3HZ      LYS   4  -9.517  12.021   5.194
   20    HZ2  LYS   4           1HZ      LYS   4 -11.133  12.516   5.275
   21    HZ3  LYS   4           2HZ      LYS   4 -10.251  12.739   3.849
   22    H    ARG   5           H        ARG   5  -8.407   6.784  -0.500
   23    HA   ARG   5           HA       ARG   5  -6.611   4.607   0.227
   24    HB2  ARG   5           1HB      ARG   5  -6.968   3.482  -1.962
   25    HB3  ARG   5           2HB      ARG   5  -8.375   3.419  -0.908
   26    HG2  ARG   5           1HG      ARG   5  -9.608   4.815  -2.236
   27    HG3  ARG   5           2HG      ARG   5  -8.184   5.621  -2.898
   28    HD2  ARG   5           1HD      ARG   5  -7.782   3.937  -4.430
   29    HD3  ARG   5           2HD      ARG   5  -8.665   2.734  -3.492
   30    HE   ARG   5           HE       ARG   5 -10.568   3.337  -4.600
   31   HH11  ARG   5          1HH1      ARG   5  -8.213   5.877  -4.950
   32   HH12  ARG   5          2HH1      ARG   5  -9.172   6.790  -6.067
   33   HH21  ARG   5          1HH2      ARG   5 -11.840   4.530  -6.069
   34   HH22  ARG   5          2HH2      ARG   5 -11.235   6.023  -6.703
   35    H    LYS   6           H        LYS   6  -4.597   4.815  -0.624
   36    HA   LYS   6           HA       LYS   6  -4.096   6.560  -2.876
   37    HB2  LYS   6           1HB      LYS   6  -4.141   8.226  -1.153
   38    HB3  LYS   6           2HB      LYS   6  -3.141   7.241  -0.093
   39    HG2  LYS   6           1HG      LYS   6  -1.209   7.717  -1.247
   40    HG3  LYS   6           2HG      LYS   6  -2.069   8.095  -2.742
   41    HD2  LYS   6           1HD      LYS   6  -2.358   9.792  -0.281
   42    HD3  LYS   6           2HD      LYS   6  -1.041  10.041  -1.429
   43    HE2  LYS   6           1HE      LYS   6  -2.923  10.095  -3.204
   44    HE3  LYS   6           2HE      LYS   6  -3.991  10.374  -1.830
   45    HZ1  LYS   6           3HZ      LYS   6  -2.691  12.303  -3.177
   46    HZ2  LYS   6           1HZ      LYS   6  -1.647  12.053  -1.870
   47    HZ3  LYS   6           2HZ      LYS   6  -3.265  12.460  -1.594
   48    H    VAL   7           H        VAL   7  -2.081   6.233  -3.823
   49    HA   VAL   7           HA       VAL   7  -0.638   3.877  -2.817
   50    HB   VAL   7           HB       VAL   7  -1.503   3.578  -5.057
   51   HG11  VAL   7          1HG1      VAL   7  -0.784   5.000  -6.917
   52   HG12  VAL   7          2HG1      VAL   7  -1.683   5.920  -5.708
   53   HG13  VAL   7          3HG1      VAL   7   0.075   6.043  -5.785
   54   HG21  VAL   7          3HG2      VAL   7   0.590   3.067  -6.245
   55   HG22  VAL   7          1HG2      VAL   7   1.482   4.014  -5.055
   56   HG23  VAL   7          2HG2      VAL   7   0.638   2.546  -4.561
   57    H    TYR   8           H        TYR   8   1.495   3.957  -2.339
   58    HA   TYR   8           HA       TYR   8   2.753   6.603  -2.381
   59    HB2  TYR   8           1HB      TYR   8   2.524   4.962  -0.302
   60    HB3  TYR   8           2HB      TYR   8   4.001   4.286  -0.978
   61    HD1  TYR   8           HD1      TYR   8   2.715   7.776  -0.563
   62    HD2  TYR   8           HD2      TYR   8   5.842   4.995   0.209
   63    HE1  TYR   8           HE1      TYR   8   4.020   9.554   0.525
   64    HE2  TYR   8           HE2      TYR   8   7.155   6.765   1.300
   65    HH   TYR   8           HH       TYR   8   7.164   8.873   2.021
   66    H    GLU   9           H        GLU   9   3.403   6.639  -4.553
   67    HA   GLU   9           HA       GLU   9   4.760   4.642  -5.926
   68    HB2  GLU   9           1HB      GLU   9   5.562   6.406  -7.411
   69    HB3  GLU   9           2HB      GLU   9   3.870   6.655  -7.006
   70    HG2  GLU   9           1HG      GLU   9   4.578   8.305  -5.294
   71    HG3  GLU   9           2HG      GLU   9   6.235   8.119  -5.863
   72    H    ASN  10           H        ASN  10   5.931   6.965  -3.588
   73    HA   ASN  10           HA       ASN  10   8.679   6.774  -4.072
   74    HB2  ASN  10           1HB      ASN  10   7.791   8.492  -2.616
   75    HB3  ASN  10           2HB      ASN  10   7.189   7.279  -1.489
   76   HD21  ASN  10          2HD2      ASN  10   8.371   8.212   0.192
   77   HD22  ASN  10          1HD2      ASN  10  10.081   8.002   0.324
   78    H    TYR  11           H        TYR  11   6.475   4.573  -2.565
   79    HA   TYR  11           HA       TYR  11   8.372   3.063  -1.086
   80    HB2  TYR  11           1HB      TYR  11   5.660   3.120  -1.174
   81    HB3  TYR  11           2HB      TYR  11   5.978   1.657  -2.098
   82    HD1  TYR  11           HD2      TYR  11   7.322   3.236   1.020
   83    HD2  TYR  11           HD1      TYR  11   5.856  -0.282  -0.871
   84    HE1  TYR  11           HE2      TYR  11   7.635   1.987   3.116
   85    HE2  TYR  11           HE1      TYR  11   6.163  -1.541   1.220
   86    HH   TYR  11           HH       TYR  11   7.862  -0.219   3.928
   87    HA   PRO  12           HA       PRO  12  10.337   0.841  -4.351
   88    HB2  PRO  12           1HB      PRO  12  11.386  -1.173  -2.864
   89    HB3  PRO  12           2HB      PRO  12  12.040   0.468  -2.856
   90    HG2  PRO  12           1HG      PRO  12  10.204  -0.850  -0.892
   91    HG3  PRO  12           2HG      PRO  12  11.606   0.192  -0.588
   92    HD2  PRO  12           1HD      PRO  12   9.058   1.103  -0.466
   93    HD3  PRO  12           2HD      PRO  12  10.415   2.124  -0.987
   94    H    VAL  13           H        VAL  13   9.754  -0.726  -5.749
   95    HA   VAL  13           HA       VAL  13   7.343  -2.161  -5.368
   96    HB   VAL  13           HB       VAL  13   9.463  -2.679  -7.456
   97   HG11  VAL  13          1HG1      VAL  13   7.996  -4.463  -7.602
   98   HG12  VAL  13          2HG1      VAL  13   6.601  -3.488  -7.135
   99   HG13  VAL  13          3HG1      VAL  13   7.301  -3.314  -8.744
  100   HG21  VAL  13          3HG2      VAL  13   8.982  -0.705  -8.353
  101   HG22  VAL  13          1HG2      VAL  13   7.290  -1.184  -8.487
  102   HG23  VAL  13          2HG2      VAL  13   7.862  -0.365  -7.033
  103    H    SER  14           H        SER  14  10.547  -2.805  -4.437
  104    HA   SER  14           HA       SER  14  10.524  -5.640  -4.571
  105    HB2  SER  14           1HB      SER  14  12.222  -3.579  -3.244
  106    HB3  SER  14           2HB      SER  14  12.335  -5.240  -2.661
  107    HG   SER  14           HG       SER  14  13.327  -4.144  -4.928
  108    H    LYS  15           H        LYS  15   9.550  -3.304  -2.133
  109    HA   LYS  15           HA       LYS  15   9.175  -5.144  -0.015
  110    HB2  LYS  15           1HB      LYS  15   8.395  -2.334  -0.577
  111    HB3  LYS  15           2HB      LYS  15   7.459  -3.186   0.644
  112    HG2  LYS  15           1HG      LYS  15   9.343  -1.885   1.570
  113    HG3  LYS  15           2HG      LYS  15   9.430  -3.607   1.945
  114    HD2  LYS  15           1HD      LYS  15  11.281  -3.929   0.673
  115    HD3  LYS  15           2HD      LYS  15  10.800  -2.722  -0.522
  116    HE2  LYS  15           1HE      LYS  15  12.757  -1.935   0.629
  117    HE3  LYS  15           2HE      LYS  15  11.379  -0.948   1.114
  118    HZ1  LYS  15           3HZ      LYS  15  12.179  -3.281   2.727
  119    HZ2  LYS  15           1HZ      LYS  15  11.319  -1.905   3.200
  120    HZ3  LYS  15           2HZ      LYS  15  12.981  -1.804   2.908
  121    H    CYS  16           H        CYS  16   7.251  -4.252  -2.760
  122    HA   CYS  16           HA       CYS  16   4.695  -4.916  -1.955
  123    HB2  CYS  16           1HB      CYS  16   5.129  -3.944  -4.135
  124    HB3  CYS  16           2HB      CYS  16   6.016  -5.381  -4.635
  125    H    GLN  17           H        GLN  17   7.382  -7.011  -2.728
  126    HA   GLN  17           HA       GLN  17   6.056  -9.424  -3.122
  127    HB2  GLN  17           1HB      GLN  17   8.123 -10.500  -2.682
  128    HB3  GLN  17           2HB      GLN  17   8.526  -8.951  -3.412
  129    HG2  GLN  17           1HG      GLN  17   8.743  -8.125  -0.975
  130    HG3  GLN  17           2HG      GLN  17   8.844  -9.840  -0.579
  131   HE21  GLN  17          2HE2      GLN  17  10.950  -8.441   0.103
  132   HE22  GLN  17          1HE2      GLN  17  12.278  -8.691  -0.972
  133    H    LEU  18           H        LEU  18   6.627  -7.625  -0.211
  134    HA   LEU  18           HA       LEU  18   5.679  -9.866   1.431
  135    HB2  LEU  18           1HB      LEU  18   6.874  -7.226   2.264
  136    HB3  LEU  18           2HB      LEU  18   6.427  -8.543   3.346
  137    HG   LEU  18           HG       LEU  18   8.507  -8.870   1.197
  138   HD11  LEU  18          1HD1      LEU  18  10.095  -8.607   3.212
  139   HD12  LEU  18          2HD1      LEU  18   8.763  -7.717   3.948
  140   HD13  LEU  18          3HD1      LEU  18   9.466  -7.157   2.430
  141   HD21  LEU  18          3HD2      LEU  18   8.389 -10.980   1.887
  142   HD22  LEU  18          1HD2      LEU  18   7.304 -10.552   3.211
  143   HD23  LEU  18          2HD2      LEU  18   9.051 -10.442   3.431
  144    H    ALA  19           H        ALA  19   3.756  -9.828   2.456
  145    HA   ALA  19           HA       ALA  19   1.933  -7.653   1.795
  146    HB1  ALA  19           3HB      ALA  19   1.652 -10.480   2.575
  147    HB2  ALA  19           1HB      ALA  19   0.397  -9.390   3.162
  148    HB3  ALA  19           2HB      ALA  19   0.717  -9.516   1.432
  149    H    ASN  20           H        ASN  20   3.546  -9.063   4.560
  150    HA   ASN  20           HA       ASN  20   2.013  -7.601   6.504
  151    HB2  ASN  20           1HB      ASN  20   3.570  -8.515   8.135
  152    HB3  ASN  20           2HB      ASN  20   3.063  -9.784   7.025
  153   HD21  ASN  20          2HD2      ASN  20   4.558 -10.856   5.886
  154   HD22  ASN  20          1HD2      ASN  20   6.249 -10.501   5.903
  155    H    GLN  21           H        GLN  21   4.738  -6.964   4.527
  156    HA   GLN  21           HA       GLN  21   5.877  -4.922   6.203
  157    HB2  GLN  21           1HB      GLN  21   7.296  -6.178   4.665
  158    HB3  GLN  21           2HB      GLN  21   6.357  -5.599   3.296
  159    HG2  GLN  21           1HG      GLN  21   7.862  -3.981   3.118
  160    HG3  GLN  21           2HG      GLN  21   7.126  -3.279   4.558
  161   HE21  GLN  21          2HE2      GLN  21   9.033  -2.371   5.273
  162   HE22  GLN  21          1HE2      GLN  21  10.334  -3.314   5.907
  163    H    CYS  22           H        CYS  22   3.825  -5.020   3.323
  164    HA   CYS  22           HA       CYS  22   3.729  -2.251   2.852
  165    HB2  CYS  22           1HB      CYS  22   2.372  -4.627   1.886
  166    HB3  CYS  22           2HB      CYS  22   1.260  -3.269   2.031
  167    H    ASN  23           H        ASN  23   1.203  -4.300   4.326
  168    HA   ASN  23           HA       ASN  23  -0.432  -2.249   5.227
  169    HB2  ASN  23           1HB      ASN  23  -1.608  -3.866   6.386
  170    HB3  ASN  23           2HB      ASN  23  -0.741  -4.863   5.223
  171   HD21  ASN  23          2HD2      ASN  23  -1.662  -4.776   8.295
  172   HD22  ASN  23          1HD2      ASN  23  -0.382  -5.664   9.042
  173    H    TYR  24           H        TYR  24   2.498  -3.549   6.605
  174    HA   TYR  24           HA       TYR  24   2.223  -2.462   9.202
  175    HB2  TYR  24           1HB      TYR  24   3.818  -4.204   8.892
  176    HB3  TYR  24           2HB      TYR  24   4.630  -3.327   7.600
  177    HD1  TYR  24           HD1      TYR  24   3.702  -2.732  11.179
  178    HD2  TYR  24           HD2      TYR  24   6.669  -2.414   8.146
  179    HE1  TYR  24           HE1      TYR  24   5.269  -1.781  12.819
  180    HE2  TYR  24           HE2      TYR  24   8.244  -1.465   9.778
  181    HH   TYR  24           HH       TYR  24   8.615  -1.027  11.940
  182    H    ASP  25           H        ASP  25   3.981  -1.307   6.332
  183    HA   ASP  25           HA       ASP  25   4.819   1.127   7.534
  184    HB2  ASP  25           1HB      ASP  25   5.001  -0.143   4.903
  185    HB3  ASP  25           2HB      ASP  25   4.841   1.609   4.819
  186    H    CYS  26           H        CYS  26   1.973   0.135   5.776
  187    HA   CYS  26           HA       CYS  26   1.005   2.775   5.257
  188    HB2  CYS  26           1HB      CYS  26  -0.250   0.039   5.153
  189    HB3  CYS  26           2HB      CYS  26  -1.191   1.498   4.863
  190    H    LYS  27           H        LYS  27   0.044   0.241   7.571
  191    HA   LYS  27           HA       LYS  27  -1.817   1.866   8.956
  192    HB2  LYS  27           1HB      LYS  27  -0.356  -0.611   9.892
  193    HB3  LYS  27           2HB      LYS  27  -1.762   0.101  10.674
  194    HG2  LYS  27           1HG      LYS  27  -3.206  -0.617   9.047
  195    HG3  LYS  27           2HG      LYS  27  -1.952  -0.672   7.806
  196    HD2  LYS  27           1HD      LYS  27  -2.414  -2.921   8.261
  197    HD3  LYS  27           2HD      LYS  27  -0.944  -2.588   9.179
  198    HE2  LYS  27           1HE      LYS  27  -2.500  -3.858  10.532
  199    HE3  LYS  27           2HE      LYS  27  -2.307  -2.236  11.195
  200    HZ1  LYS  27           3HZ      LYS  27  -4.540  -2.981   9.394
  201    HZ2  LYS  27           1HZ      LYS  27  -4.395  -1.590  10.346
  202    HZ3  LYS  27           2HZ      LYS  27  -4.643  -3.093  11.080
  203    H    LEU  28           H        LEU  28   1.544   1.900   8.894
  204    HA   LEU  28           HA       LEU  28   1.980   2.720  11.617
  205    HB2  LEU  28           1HB      LEU  28   3.732   1.562  10.427
  206    HB3  LEU  28           2HB      LEU  28   3.750   2.805   9.178
  207    HG   LEU  28           HG       LEU  28   5.611   2.762  10.988
  208   HD11  LEU  28          1HD1      LEU  28   4.454   5.474  10.785
  209   HD12  LEU  28          2HD1      LEU  28   4.760   4.626   9.269
  210   HD13  LEU  28          3HD1      LEU  28   6.079   4.897  10.409
  211   HD21  LEU  28          3HD2      LEU  28   3.685   4.469  12.509
  212   HD22  LEU  28          1HD2      LEU  28   5.185   3.713  13.049
  213   HD23  LEU  28          2HD2      LEU  28   3.743   2.728  12.794
  214    H    ASP  29           H        ASP  29   2.460   4.403   8.505
  215    HA   ASP  29           HA       ASP  29   2.180   6.963   9.887
  216    HB2  ASP  29           1HB      ASP  29   3.323   6.082   7.277
  217    HB3  ASP  29           2HB      ASP  29   2.712   7.730   7.395
  218    H    LYS  30           H        LYS  30   0.844   5.315   7.025
  219    HA   LYS  30           HA       LYS  30  -1.205   7.247   6.610
  220    HB2  LYS  30           1HB      LYS  30  -1.307   4.406   5.628
  221    HB3  LYS  30           2HB      LYS  30  -1.977   5.847   4.875
  222    HG2  LYS  30           1HG      LYS  30   0.929   5.100   5.096
  223    HG3  LYS  30           2HG      LYS  30  -0.059   5.141   3.633
  224    HD2  LYS  30           1HD      LYS  30   0.646   7.520   5.353
  225    HD3  LYS  30           2HD      LYS  30   1.387   7.113   3.803
  226    HE2  LYS  30           1HE      LYS  30  -1.531   7.741   4.244
  227    HE3  LYS  30           2HE      LYS  30  -0.334   8.853   3.582
  228    HZ1  LYS  30           3HZ      LYS  30  -1.060   6.249   2.357
  229    HZ2  LYS  30           1HZ      LYS  30  -0.035   7.424   1.701
  230    HZ3  LYS  30           2HZ      LYS  30  -1.687   7.742   1.871
  231    H    HIS  31           H        HIS  31  -0.822   4.868   8.928
  232    HA   HIS  31           HA       HIS  31  -2.204   3.838  10.422
  233    HB2  HIS  31           1HB      HIS  31  -3.706   6.396   9.867
  234    HB3  HIS  31           2HB      HIS  31  -4.208   5.250  11.105
  235    HD1  HIS  31           HD1      HIS  31  -2.427   8.261  10.834
  236    HD2  HIS  31           HD2      HIS  31  -1.756   4.714  12.891
  237    HE1  HIS  31           HE1      HIS  31  -0.812   8.845  12.671
  238    H    ALA  32           H        ALA  32  -2.571   3.213   7.565
  239    HA   ALA  32           HA       ALA  32  -5.273   2.938   6.882
  240    HB1  ALA  32           3HB      ALA  32  -3.298   0.885   6.012
  241    HB2  ALA  32           1HB      ALA  32  -4.562   1.697   5.089
  242    HB3  ALA  32           2HB      ALA  32  -3.078   2.558   5.500
  243    H    ARG  33           H        ARG  33  -5.692   0.270   6.305
  244    HA   ARG  33           HA       ARG  33  -5.696  -1.051   8.931
  245    HB2  ARG  33           1HB      ARG  33  -7.998  -1.813   8.534
  246    HB3  ARG  33           2HB      ARG  33  -7.898  -0.058   8.605
  247    HG2  ARG  33           1HG      ARG  33  -7.625  -0.433   5.955
  248    HG3  ARG  33           2HG      ARG  33  -8.627  -1.827   6.370
  249    HD2  ARG  33           1HD      ARG  33  -9.908   0.087   7.754
  250    HD3  ARG  33           2HD      ARG  33  -9.257   1.059   6.434
  251    HE   ARG  33           HE       ARG  33 -10.814   0.122   5.063
  252   HH11  ARG  33          1HH1      ARG  33 -10.356  -1.973   7.806
  253   HH12  ARG  33          2HH1      ARG  33 -11.613  -3.071   7.341
  254   HH21  ARG  33          1HH2      ARG  33 -12.470  -1.318   4.440
  255   HH22  ARG  33          2HH2      ARG  33 -12.814  -2.699   5.427
  256    H    SER  34           H        SER  34  -6.010  -1.382   5.430
  257    HA   SER  34           HA       SER  34  -4.901  -4.096   5.666
  258    HB2  SER  34           1HB      SER  34  -7.341  -4.203   5.182
  259    HB3  SER  34           2HB      SER  34  -7.060  -3.276   3.709
  260    HG   SER  34           HG       SER  34  -6.888  -5.881   4.017
  261    H    GLY  35           H        GLY  35  -3.435  -1.738   5.209
  262    HA2  GLY  35           1HA      GLY  35  -2.960  -0.979   2.604
  263    HA3  GLY  35           2HA      GLY  35  -1.718  -1.042   3.846
  264    H    GLU  36           H        GLU  36  -2.403  -2.037   0.832
  265    HA   GLU  36           HA       GLU  36  -0.390  -4.118   0.937
  266    HB2  GLU  36           1HB      GLU  36  -2.841  -5.063   1.252
  267    HB3  GLU  36           2HB      GLU  36  -2.901  -4.865  -0.494
  268    HG2  GLU  36           1HG      GLU  36  -1.215  -6.427  -0.854
  269    HG3  GLU  36           2HG      GLU  36  -0.654  -6.343   0.815
  270    H    CYS  37           H        CYS  37   0.136  -4.910  -1.312
  271    HA   CYS  37           HA       CYS  37  -0.009  -2.630  -3.158
  272    HB2  CYS  37           1HB      CYS  37   2.022  -3.409  -4.139
  273    HB3  CYS  37           2HB      CYS  37   2.242  -3.485  -2.393
  274    H    PHE  38           H        PHE  38  -0.453  -2.953  -5.368
  275    HA   PHE  38           HA       PHE  38  -1.188  -5.526  -6.387
  276    HB2  PHE  38           1HB      PHE  38  -3.269  -3.666  -5.374
  277    HB3  PHE  38           2HB      PHE  38  -3.589  -4.445  -6.920
  278    HD1  PHE  38           HD1      PHE  38  -2.849  -7.086  -6.816
  279    HD2  PHE  38           HD2      PHE  38  -4.229  -4.694  -3.578
  280    HE1  PHE  38           HE1      PHE  38  -3.593  -9.114  -5.640
  281    HE2  PHE  38           HE2      PHE  38  -4.975  -6.719  -2.396
  282    HZ   PHE  38           HZ       PHE  38  -4.656  -8.933  -3.426
  283    H    TYR  39           H        TYR  39  -2.029  -5.366  -8.642
  284    HA   TYR  39           HA       TYR  39  -0.415  -3.618 -10.160
  285    HB2  TYR  39           1HB      TYR  39  -1.629  -4.526 -12.110
  286    HB3  TYR  39           2HB      TYR  39  -1.086  -5.796 -11.019
  287    HD1  TYR  39           HD2      TYR  39  -4.016  -3.950 -12.261
  288    HD2  TYR  39           HD1      TYR  39  -2.660  -7.173  -9.836
  289    HE1  TYR  39           HE2      TYR  39  -6.314  -4.818 -12.138
  290    HE2  TYR  39           HE1      TYR  39  -4.954  -8.050  -9.709
  291    HH   TYR  39           HH       TYR  39  -7.036  -7.935 -10.869
  292    H    ASP  40           H        ASP  40  -0.846  -1.741 -11.215
  293    HA   ASP  40           HA       ASP  40  -3.294  -0.350 -10.435
  294    HB2  ASP  40           1HB      ASP  40  -0.720   0.502 -10.455
  295    HB3  ASP  40           2HB      ASP  40  -1.257   1.079 -12.030
  296    H    GLU  41           H        GLU  41  -3.775   1.424 -12.343
  297    HA   GLU  41           HA       GLU  41  -5.082  -0.077 -14.350
  298    HB2  GLU  41           1HB      GLU  41  -5.845   2.005 -15.213
  299    HB3  GLU  41           2HB      GLU  41  -5.794   2.172 -13.463
  300    HG2  GLU  41           1HG      GLU  41  -3.559   3.272 -13.727
  301    HG3  GLU  41           2HG      GLU  41  -3.844   3.273 -15.467
  302    H    LYS  42           H        LYS  42  -1.927   1.280 -14.129
  303    HA   LYS  42           HA       LYS  42  -1.491   0.964 -17.014
  304    HB2  LYS  42           1HB      LYS  42   0.234   2.277 -14.906
  305    HB3  LYS  42           2HB      LYS  42   0.628   2.180 -16.617
  306    HG2  LYS  42           1HG      LYS  42  -1.853   3.518 -15.571
  307    HG3  LYS  42           2HG      LYS  42  -0.328   4.365 -15.840
  308    HD2  LYS  42           1HD      LYS  42  -0.397   3.595 -18.210
  309    HD3  LYS  42           2HD      LYS  42  -2.002   2.929 -17.898
  310    HE2  LYS  42           1HE      LYS  42  -1.436   5.791 -17.256
  311    HE3  LYS  42           2HE      LYS  42  -1.736   5.318 -18.927
  312    HZ1  LYS  42           3HZ      LYS  42  -3.826   5.854 -18.146
  313    HZ2  LYS  42           1HZ      LYS  42  -3.556   5.189 -16.613
  314    HZ3  LYS  42           2HZ      LYS  42  -3.801   4.175 -17.944
  315    H    ARG  43           H        ARG  43  -1.727  -1.258 -15.066
  316    HA   ARG  43           HA       ARG  43  -0.735  -3.248 -14.586
  317    HB2  ARG  43           1HB      ARG  43   0.614  -2.401 -17.118
  318    HB3  ARG  43           2HB      ARG  43   1.199  -3.829 -16.275
  319    HG2  ARG  43           1HG      ARG  43  -1.689  -3.485 -17.013
  320    HG3  ARG  43           2HG      ARG  43  -0.505  -4.184 -18.120
  321    HD2  ARG  43           1HD      ARG  43   0.069  -5.769 -16.187
  322    HD3  ARG  43           2HD      ARG  43  -1.446  -5.226 -15.467
  323    HE   ARG  43           HE       ARG  43  -1.947  -6.022 -18.104
  324   HH11  ARG  43          1HH1      ARG  43  -1.024  -7.394 -15.040
  325   HH12  ARG  43          2HH1      ARG  43  -1.741  -8.937 -15.367
  326   HH21  ARG  43          1HH2      ARG  43  -2.895  -8.049 -18.546
  327   HH22  ARG  43          2HH2      ARG  43  -2.805  -9.309 -17.362
  328    H    ASN  44           H        ASN  44   0.314  -0.752 -13.376
  329    HA   ASN  44           HA       ASN  44   3.108  -1.501 -12.883
  330    HB2  ASN  44           1HB      ASN  44   1.577   1.043 -12.319
  331    HB3  ASN  44           2HB      ASN  44   3.224   0.757 -11.764
  332   HD21  ASN  44          2HD2      ASN  44   2.534   2.873 -13.414
  333   HD22  ASN  44          1HD2      ASN  44   3.273   2.641 -14.958
  334    H    LEU  45           H        LEU  45   3.675  -2.468 -11.049
  335    HA   LEU  45           HA       LEU  45   1.680  -2.950  -9.012
  336    HB2  LEU  45           1HB      LEU  45   4.555  -3.777  -8.842
  337    HB3  LEU  45           2HB      LEU  45   3.137  -4.555  -8.142
  338    HG   LEU  45           HG       LEU  45   3.818  -4.505 -11.081
  339   HD11  LEU  45          1HD1      LEU  45   5.410  -5.852  -9.843
  340   HD12  LEU  45          2HD1      LEU  45   4.326  -6.886 -10.773
  341   HD13  LEU  45          3HD1      LEU  45   4.093  -6.702  -9.035
  342   HD21  LEU  45          3HD2      LEU  45   2.057  -6.318 -11.122
  343   HD22  LEU  45          1HD2      LEU  45   1.471  -4.674 -10.862
  344   HD23  LEU  45          2HD2      LEU  45   1.604  -5.789  -9.502
  345    H    GLN  46           H        GLN  46   1.388  -1.709  -7.293
  346    HA   GLN  46           HA       GLN  46   3.679  -0.366  -6.072
  347    HB2  GLN  46           1HB      GLN  46   1.114   1.107  -6.680
  348    HB3  GLN  46           2HB      GLN  46   2.575   1.772  -5.964
  349    HG2  GLN  46           1HG      GLN  46   2.486   0.615  -8.735
  350    HG3  GLN  46           2HG      GLN  46   2.189   2.317  -8.383
  351   HE21  GLN  46          2HE2      GLN  46   4.009   2.748  -9.747
  352   HE22  GLN  46          1HE2      GLN  46   5.613   2.610  -9.119
  353    H    CYS  47           H        CYS  47   3.137   0.530  -3.907
  354    HA   CYS  47           HA       CYS  47   1.356  -1.324  -2.521
  355    HB2  CYS  47           1HB      CYS  47   3.741  -0.966  -1.778
  356    HB3  CYS  47           2HB      CYS  47   3.278   0.665  -1.304
  357    H    ILE  48           H        ILE  48  -0.679  -0.682  -2.285
  358    HA   ILE  48           HA       ILE  48  -1.233   2.175  -1.871
  359    HB   ILE  48           HB       ILE  48  -3.202   0.005  -2.598
  360   HG12  ILE  48          1HG1      ILE  48  -2.993   1.606  -4.802
  361   HG13  ILE  48          2HG1      ILE  48  -1.329   1.590  -4.231
  362   HG21  ILE  48          1HG2      ILE  48  -4.626   1.928  -3.242
  363   HG22  ILE  48          2HG2      ILE  48  -4.253   1.883  -1.520
  364   HG23  ILE  48          3HG2      ILE  48  -3.405   3.013  -2.575
  365   HD11  ILE  48          3HD1      ILE  48  -2.934  -0.543  -5.448
  366   HD12  ILE  48          1HD1      ILE  48  -1.195  -0.251  -5.499
  367   HD13  ILE  48          2HD1      ILE  48  -1.919  -1.035  -4.093
  368    H    CYS  49           H        CYS  49  -2.550   2.871  -0.183
  369    HA   CYS  49           HA       CYS  49  -2.958   0.900   1.971
  370    HB2  CYS  49           1HB      CYS  49  -2.536   3.857   2.387
  371    HB3  CYS  49           2HB      CYS  49  -2.466   2.573   3.590
  372    H    ASP  50           H        ASP  50  -4.920   0.785   2.930
  373    HA   ASP  50           HA       ASP  50  -7.000   2.608   1.915
  374    HB2  ASP  50           1HB      ASP  50  -7.554  -0.121   3.053
  375    HB3  ASP  50           2HB      ASP  50  -8.565   0.856   1.991
  376    H    TYR  51           H        TYR  51  -7.818   3.972   3.348
  377    HA   TYR  51           HA       TYR  51  -7.635   3.286   6.206
  378    HB2  TYR  51           1HB      TYR  51  -6.332   5.290   5.416
  379    HB3  TYR  51           2HB      TYR  51  -7.866   6.055   5.017
  380    HD1  TYR  51           HD2      TYR  51  -5.739   4.848   7.770
  381    HD2  TYR  51           HD1      TYR  51  -9.279   6.963   6.727
  382    HE1  TYR  51           HE2      TYR  51  -5.922   5.671  10.081
  383    HE2  TYR  51           HE1      TYR  51  -9.471   7.793   9.034
  384    HH   TYR  51           HH       TYR  51  -7.138   7.908  11.147
  385    H    CYS  52           H        CYS  52  -9.485   2.839   7.180
  386    HA   CYS  52           HA       CYS  52 -11.902   4.303   6.463
  387    HB2  CYS  52           1HB      CYS  52 -11.632   2.013   5.192
  388    HB3  CYS  52           2HB      CYS  52 -12.143   1.332   6.733
  389    H    GLU  53           H        GLU  53 -13.002   4.877   8.224
  390    HA   GLU  53           HA       GLU  53 -12.400   3.477  10.745
  391    HB2  GLU  53           1HB      GLU  53 -13.180   5.673  11.799
  392    HB3  GLU  53           2HB      GLU  53 -11.618   5.678  10.993
  393    HG2  GLU  53           1HG      GLU  53 -12.355   6.985   9.265
  394    HG3  GLU  53           2HG      GLU  53 -14.031   6.469   9.444
  395    H    TYR  54           H        TYR  54 -14.003   2.071  11.106
  396    HA   TYR  54           HA       TYR  54 -16.767   3.074  10.920
  397    HB2  TYR  54           1HB      TYR  54 -17.462   0.751  10.382
  398    HB3  TYR  54           2HB      TYR  54 -16.414   1.453   9.153
  399    HD1  TYR  54           HD1      TYR  54 -16.684  -1.070  11.795
  400    HD2  TYR  54           HD2      TYR  54 -14.166   0.608   8.804
  401    HE1  TYR  54           HE1      TYR  54 -15.175  -3.003  11.989
  402    HE2  TYR  54           HE2      TYR  54 -12.651  -1.321   8.988
  403    HH   TYR  54           HH       TYR  54 -12.516  -3.486   9.773
  Start of MODEL   18
    1    H1   ASP   2           H        ASP   2 -17.635   5.654   3.323
    2    HA   ASP   2           HA       ASP   2 -16.164   4.788   0.926
    3    HB2  ASP   2           1HB      ASP   2 -16.614   7.670   1.722
    4    HB3  ASP   2           2HB      ASP   2 -15.785   7.088   0.280
    5    H    CYS   3           H        CYS   3 -13.961   4.834   1.056
    6    HA   CYS   3           HA       CYS   3 -12.811   5.723   3.620
    7    HB2  CYS   3           1HB      CYS   3 -11.739   3.430   1.980
    8    HB3  CYS   3           2HB      CYS   3 -11.340   3.855   3.641
    9    H    LYS   4           H        LYS   4 -10.318   5.912   3.391
   10    HA   LYS   4           HA       LYS   4  -9.778   7.432   0.927
   11    HB2  LYS   4           1HB      LYS   4  -9.627   8.980   2.662
   12    HB3  LYS   4           2HB      LYS   4  -8.917   7.815   3.772
   13    HG2  LYS   4           1HG      LYS   4  -7.302   9.503   3.073
   14    HG3  LYS   4           2HG      LYS   4  -6.823   7.888   2.547
   15    HD2  LYS   4           1HD      LYS   4  -7.772   8.379   0.315
   16    HD3  LYS   4           2HD      LYS   4  -8.128  10.020   0.858
   17    HE2  LYS   4           1HE      LYS   4  -5.354   8.900   1.037
   18    HE3  LYS   4           2HE      LYS   4  -5.956   9.590  -0.470
   19    HZ1  LYS   4           3HZ      LYS   4  -4.755  11.005   1.452
   20    HZ2  LYS   4           1HZ      LYS   4  -6.377  11.220   1.887
   21    HZ3  LYS   4           2HZ      LYS   4  -5.849  11.663   0.343
   22    H    ARG   5           H        ARG   5  -8.501   6.394  -0.445
   23    HA   ARG   5           HA       ARG   5  -6.327   4.730   0.647
   24    HB2  ARG   5           1HB      ARG   5  -6.539   3.351  -1.424
   25    HB3  ARG   5           2HB      ARG   5  -7.942   3.271  -0.368
   26    HG2  ARG   5           1HG      ARG   5  -9.270   4.486  -1.817
   27    HG3  ARG   5           2HG      ARG   5  -7.885   5.214  -2.635
   28    HD2  ARG   5           1HD      ARG   5  -8.734   3.641  -4.157
   29    HD3  ARG   5           2HD      ARG   5  -7.325   2.865  -3.435
   30    HE   ARG   5           HE       ARG   5  -8.708   1.291  -2.507
   31   HH11  ARG   5          1HH1      ARG   5 -10.614   3.985  -3.618
   32   HH12  ARG   5          2HH1      ARG   5 -12.130   3.189  -3.353
   33   HH21  ARG   5          1HH2      ARG   5 -10.697   0.234  -2.154
   34   HH22  ARG   5          2HH2      ARG   5 -12.177   1.056  -2.519
   35    H    LYS   6           H        LYS   6  -4.384   4.626  -0.618
   36    HA   LYS   6           HA       LYS   6  -3.994   6.366  -2.857
   37    HB2  LYS   6           1HB      LYS   6  -3.983   8.016  -1.025
   38    HB3  LYS   6           2HB      LYS   6  -2.697   7.118  -0.230
   39    HG2  LYS   6           1HG      LYS   6  -1.100   7.893  -1.627
   40    HG3  LYS   6           2HG      LYS   6  -2.188   7.952  -3.015
   41    HD2  LYS   6           1HD      LYS   6  -1.578  10.200  -2.410
   42    HD3  LYS   6           2HD      LYS   6  -3.279   9.944  -2.011
   43    HE2  LYS   6           1HE      LYS   6  -2.696   9.586   0.322
   44    HE3  LYS   6           2HE      LYS   6  -0.984   9.760  -0.061
   45    HZ1  LYS   6           3HZ      LYS   6  -1.807  11.805   0.840
   46    HZ2  LYS   6           1HZ      LYS   6  -3.068  11.862  -0.287
   47    HZ3  LYS   6           2HZ      LYS   6  -1.468  12.045  -0.801
   48    H    VAL   7           H        VAL   7  -2.066   5.971  -3.927
   49    HA   VAL   7           HA       VAL   7  -0.574   3.643  -2.941
   50    HB   VAL   7           HB       VAL   7  -1.541   3.329  -5.138
   51   HG11  VAL   7          1HG1      VAL   7   0.043   5.156  -6.681
   52   HG12  VAL   7          2HG1      VAL   7  -1.710   4.961  -6.636
   53   HG13  VAL   7          3HG1      VAL   7  -0.913   6.042  -5.492
   54   HG21  VAL   7          3HG2      VAL   7   1.447   3.732  -5.271
   55   HG22  VAL   7          1HG2      VAL   7   0.609   2.280  -4.722
   56   HG23  VAL   7          2HG2      VAL   7   0.494   2.780  -6.409
   57    H    TYR   8           H        TYR   8   1.521   3.768  -2.410
   58    HA   TYR   8           HA       TYR   8   2.836   6.374  -2.674
   59    HB2  TYR   8           1HB      TYR   8   2.567   4.899  -0.466
   60    HB3  TYR   8           2HB      TYR   8   4.053   4.178  -1.074
   61    HD1  TYR   8           HD1      TYR   8   2.657   7.637  -0.729
   62    HD2  TYR   8           HD2      TYR   8   5.973   5.035  -0.146
   63    HE1  TYR   8           HE1      TYR   8   3.945   9.502   0.227
   64    HE2  TYR   8           HE2      TYR   8   7.270   6.892   0.812
   65    HH   TYR   8           HH       TYR   8   5.880   9.796   1.779
   66    H    GLU   9           H        GLU   9   3.365   6.080  -4.909
   67    HA   GLU   9           HA       GLU   9   4.881   3.914  -5.887
   68    HB2  GLU   9           1HB      GLU   9   5.281   5.279  -7.838
   69    HB3  GLU   9           2HB      GLU   9   3.617   5.501  -7.315
   70    HG2  GLU   9           1HG      GLU   9   4.322   7.593  -6.172
   71    HG3  GLU   9           2HG      GLU   9   5.920   7.388  -6.887
   72    H    ASN  10           H        ASN  10   5.727   6.534  -3.890
   73    HA   ASN  10           HA       ASN  10   8.432   6.886  -4.639
   74    HB2  ASN  10           1HB      ASN  10   6.726   7.644  -2.339
   75    HB3  ASN  10           2HB      ASN  10   8.458   7.582  -2.030
   76   HD21  ASN  10          2HD2      ASN  10   9.483   9.410  -2.337
   77   HD22  ASN  10          1HD2      ASN  10   9.024  10.670  -3.427
   78    H    TYR  11           H        TYR  11   6.792   4.506  -2.730
   79    HA   TYR  11           HA       TYR  11   9.145   3.542  -1.392
   80    HB2  TYR  11           1HB      TYR  11   6.306   3.052  -1.283
   81    HB3  TYR  11           2HB      TYR  11   7.180   1.526  -1.369
   82    HD1  TYR  11           HD2      TYR  11   8.151   4.721   0.284
   83    HD2  TYR  11           HD1      TYR  11   7.060   0.639   0.780
   84    HE1  TYR  11           HE2      TYR  11   8.659   4.883   2.685
   85    HE2  TYR  11           HE1      TYR  11   7.563   0.790   3.183
   86    HH   TYR  11           HH       TYR  11   9.262   3.387   4.544
   87    HA   PRO  12           HA       PRO  12  10.733   0.819  -4.448
   88    HB2  PRO  12           1HB      PRO  12  11.750  -1.158  -2.890
   89    HB3  PRO  12           2HB      PRO  12  12.490   0.441  -3.017
   90    HG2  PRO  12           1HG      PRO  12  10.692  -0.650  -0.886
   91    HG3  PRO  12           2HG      PRO  12  12.162   0.329  -0.718
   92    HD2  PRO  12           1HD      PRO  12   9.677   1.388  -0.529
   93    HD3  PRO  12           2HD      PRO  12  11.056   2.297  -1.180
   94    H    VAL  13           H        VAL  13   9.976  -0.777  -5.719
   95    HA   VAL  13           HA       VAL  13   7.529  -2.068  -5.098
   96    HB   VAL  13           HB       VAL  13   9.475  -2.704  -7.320
   97   HG11  VAL  13          1HG1      VAL  13   7.985  -4.525  -7.119
   98   HG12  VAL  13          2HG1      VAL  13   6.603  -3.461  -6.846
   99   HG13  VAL  13          3HG1      VAL  13   7.360  -3.535  -8.438
  100   HG21  VAL  13          3HG2      VAL  13   7.206  -1.306  -8.255
  101   HG22  VAL  13          1HG2      VAL  13   7.833  -0.415  -6.869
  102   HG23  VAL  13          2HG2      VAL  13   8.885  -0.770  -8.240
  103    H    SER  14           H        SER  14  10.851  -2.928  -4.666
  104    HA   SER  14           HA       SER  14  10.713  -5.707  -4.612
  105    HB2  SER  14           1HB      SER  14  12.467  -3.713  -3.203
  106    HB3  SER  14           2HB      SER  14  12.628  -5.437  -2.871
  107    HG   SER  14           HG       SER  14  13.258  -3.995  -5.161
  108    H    LYS  15           H        LYS  15   9.672  -3.345  -2.271
  109    HA   LYS  15           HA       LYS  15   9.400  -5.140  -0.076
  110    HB2  LYS  15           1HB      LYS  15   8.667  -2.339  -0.674
  111    HB3  LYS  15           2HB      LYS  15   7.656  -3.149   0.517
  112    HG2  LYS  15           1HG      LYS  15   9.524  -1.901   1.522
  113    HG3  LYS  15           2HG      LYS  15   9.571  -3.626   1.893
  114    HD2  LYS  15           1HD      LYS  15  11.392  -4.005   0.515
  115    HD3  LYS  15           2HD      LYS  15  11.082  -2.566  -0.460
  116    HE2  LYS  15           1HE      LYS  15  12.959  -1.994   0.802
  117    HE3  LYS  15           2HE      LYS  15  11.620  -1.247   1.673
  118    HZ1  LYS  15           3HZ      LYS  15  11.636  -3.048   3.241
  119    HZ2  LYS  15           1HZ      LYS  15  13.197  -2.403   3.138
  120    HZ3  LYS  15           2HZ      LYS  15  12.833  -3.866   2.370
  121    H    CYS  16           H        CYS  16   7.445  -4.344  -2.819
  122    HA   CYS  16           HA       CYS  16   4.896  -4.976  -1.971
  123    HB2  CYS  16           1HB      CYS  16   5.387  -4.095  -4.204
  124    HB3  CYS  16           2HB      CYS  16   6.162  -5.612  -4.644
  125    H    GLN  17           H        GLN  17   7.566  -7.109  -2.727
  126    HA   GLN  17           HA       GLN  17   6.244  -9.532  -2.999
  127    HB2  GLN  17           1HB      GLN  17   8.892  -9.116  -1.608
  128    HB3  GLN  17           2HB      GLN  17   8.327 -10.594  -2.372
  129    HG2  GLN  17           1HG      GLN  17   8.294  -9.379  -4.543
  130    HG3  GLN  17           2HG      GLN  17   9.039  -8.006  -3.727
  131   HE21  GLN  17          2HE2      GLN  17   9.510 -11.518  -3.977
  132   HE22  GLN  17          1HE2      GLN  17  11.222 -11.444  -4.188
  133    H    LEU  18           H        LEU  18   6.783  -7.609  -0.171
  134    HA   LEU  18           HA       LEU  18   5.851  -9.788   1.562
  135    HB2  LEU  18           1HB      LEU  18   7.052  -7.120   2.286
  136    HB3  LEU  18           2HB      LEU  18   6.597  -8.387   3.424
  137    HG   LEU  18           HG       LEU  18   8.675  -8.824   1.295
  138   HD11  LEU  18          1HD1      LEU  18   8.937  -7.517   3.972
  139   HD12  LEU  18          2HD1      LEU  18   9.656  -7.061   2.428
  140   HD13  LEU  18          3HD1      LEU  18  10.264  -8.467   3.302
  141   HD21  LEU  18          3HD2      LEU  18   8.918 -10.187   3.850
  142   HD22  LEU  18          1HD2      LEU  18   8.928 -10.840   2.212
  143   HD23  LEU  18          2HD2      LEU  18   7.395 -10.542   3.032
  144    H    ALA  19           H        ALA  19   3.877  -9.762   2.441
  145    HA   ALA  19           HA       ALA  19   2.050  -7.648   1.706
  146    HB1  ALA  19           3HB      ALA  19   0.925  -9.615   1.526
  147    HB2  ALA  19           1HB      ALA  19   1.809 -10.370   2.852
  148    HB3  ALA  19           2HB      ALA  19   0.513  -9.225   3.196
  149    H    ASN  20           H        ASN  20   3.214  -9.087   4.749
  150    HA   ASN  20           HA       ASN  20   1.846  -7.395   6.499
  151    HB2  ASN  20           1HB      ASN  20   3.724  -7.982   8.114
  152    HB3  ASN  20           2HB      ASN  20   2.854  -9.343   7.410
  153   HD21  ASN  20          2HD2      ASN  20   5.855  -7.706   7.683
  154   HD22  ASN  20          1HD2      ASN  20   6.802  -8.826   6.770
  155    H    GLN  21           H        GLN  21   4.890  -6.973   4.798
  156    HA   GLN  21           HA       GLN  21   5.836  -4.724   6.184
  157    HB2  GLN  21           1HB      GLN  21   7.316  -5.908   4.723
  158    HB3  GLN  21           2HB      GLN  21   6.262  -5.641   3.341
  159    HG2  GLN  21           1HG      GLN  21   8.161  -4.188   3.186
  160    HG3  GLN  21           2HG      GLN  21   6.717  -3.226   3.495
  161   HE21  GLN  21          2HE2      GLN  21   9.300  -4.886   5.273
  162   HE22  GLN  21          1HE2      GLN  21   9.516  -3.646   6.456
  163    H    CYS  22           H        CYS  22   3.795  -4.982   3.292
  164    HA   CYS  22           HA       CYS  22   3.575  -2.263   2.712
  165    HB2  CYS  22           1HB      CYS  22   2.225  -4.715   1.946
  166    HB3  CYS  22           2HB      CYS  22   1.093  -3.372   2.062
  167    H    ASN  23           H        ASN  23   1.252  -4.286   4.516
  168    HA   ASN  23           HA       ASN  23  -0.363  -2.139   5.359
  169    HB2  ASN  23           1HB      ASN  23  -1.334  -4.296   5.436
  170    HB3  ASN  23           2HB      ASN  23   0.002  -4.952   6.377
  171   HD21  ASN  23          2HD2      ASN  23  -3.079  -3.624   6.476
  172   HD22  ASN  23          1HD2      ASN  23  -3.202  -3.392   8.184
  173    H    TYR  24           H        TYR  24   2.596  -3.466   6.595
  174    HA   TYR  24           HA       TYR  24   2.459  -2.483   9.232
  175    HB2  TYR  24           1HB      TYR  24   4.090  -4.158   8.683
  176    HB3  TYR  24           2HB      TYR  24   4.820  -3.125   7.460
  177    HD1  TYR  24           HD1      TYR  24   4.015  -2.992  11.113
  178    HD2  TYR  24           HD2      TYR  24   6.805  -2.105   8.024
  179    HE1  TYR  24           HE1      TYR  24   5.591  -2.129  12.792
  180    HE2  TYR  24           HE2      TYR  24   8.390  -1.241   9.696
  181    HH   TYR  24           HH       TYR  24   8.529  -1.867  12.593
  182    H    ASP  25           H        ASP  25   3.984  -1.130   6.316
  183    HA   ASP  25           HA       ASP  25   4.724   1.307   7.620
  184    HB2  ASP  25           1HB      ASP  25   6.021   0.484   5.729
  185    HB3  ASP  25           2HB      ASP  25   4.607   0.588   4.684
  186    H    CYS  26           H        CYS  26   2.008   0.217   5.698
  187    HA   CYS  26           HA       CYS  26   0.894   2.777   5.188
  188    HB2  CYS  26           1HB      CYS  26  -0.245  -0.014   5.159
  189    HB3  CYS  26           2HB      CYS  26  -1.236   1.399   4.810
  190    H    LYS  27           H        LYS  27   0.072   0.261   7.574
  191    HA   LYS  27           HA       LYS  27  -1.891   1.794   8.910
  192    HB2  LYS  27           1HB      LYS  27  -0.283  -0.629   9.690
  193    HB3  LYS  27           2HB      LYS  27  -1.428   0.113  10.799
  194    HG2  LYS  27           1HG      LYS  27  -3.002  -0.141   8.647
  195    HG3  LYS  27           2HG      LYS  27  -1.901  -1.493   8.371
  196    HD2  LYS  27           1HD      LYS  27  -3.812  -2.257   9.636
  197    HD3  LYS  27           2HD      LYS  27  -2.376  -2.296  10.663
  198    HE2  LYS  27           1HE      LYS  27  -3.299  -0.889  12.119
  199    HE3  LYS  27           2HE      LYS  27  -3.690   0.262  10.842
  200    HZ1  LYS  27           3HZ      LYS  27  -5.437  -1.964  10.735
  201    HZ2  LYS  27           1HZ      LYS  27  -5.809  -0.327  10.944
  202    HZ3  LYS  27           2HZ      LYS  27  -5.456  -1.292  12.288
  203    H    LEU  28           H        LEU  28   1.468   2.065   8.844
  204    HA   LEU  28           HA       LEU  28   1.833   3.047  11.522
  205    HB2  LEU  28           1HB      LEU  28   3.669   1.968  10.386
  206    HB3  LEU  28           2HB      LEU  28   3.596   3.148   9.080
  207    HG   LEU  28           HG       LEU  28   4.342   4.898  10.617
  208   HD11  LEU  28          1HD1      LEU  28   5.006   4.432  12.863
  209   HD12  LEU  28          2HD1      LEU  28   4.676   2.712  12.661
  210   HD13  LEU  28          3HD1      LEU  28   3.347   3.871  12.658
  211   HD21  LEU  28          3HD2      LEU  28   5.978   3.564   9.337
  212   HD22  LEU  28          1HD2      LEU  28   6.134   2.474  10.715
  213   HD23  LEU  28          2HD2      LEU  28   6.628   4.160  10.865
  214    H    ASP  29           H        ASP  29   2.206   4.618   8.338
  215    HA   ASP  29           HA       ASP  29   1.724   7.208   9.599
  216    HB2  ASP  29           1HB      ASP  29   3.469   6.403   7.611
  217    HB3  ASP  29           2HB      ASP  29   2.191   7.217   6.713
  218    H    LYS  30           H        LYS  30   0.546   5.346   6.800
  219    HA   LYS  30           HA       LYS  30  -1.639   7.096   6.288
  220    HB2  LYS  30           1HB      LYS  30  -1.438   4.210   5.435
  221    HB3  LYS  30           2HB      LYS  30  -2.329   5.507   4.649
  222    HG2  LYS  30           1HG      LYS  30   0.373   6.311   4.770
  223    HG3  LYS  30           2HG      LYS  30   0.344   4.640   4.201
  224    HD2  LYS  30           1HD      LYS  30   0.014   5.625   2.194
  225    HD3  LYS  30           2HD      LYS  30  -1.666   5.669   2.734
  226    HE2  LYS  30           1HE      LYS  30   0.141   7.922   3.468
  227    HE3  LYS  30           2HE      LYS  30  -0.466   7.827   1.815
  228    HZ1  LYS  30           3HZ      LYS  30  -2.651   7.387   3.429
  229    HZ2  LYS  30           1HZ      LYS  30  -2.299   8.795   2.560
  230    HZ3  LYS  30           2HZ      LYS  30  -1.814   8.655   4.173
  231    H    HIS  31           H        HIS  31  -1.103   4.832   8.699
  232    HA   HIS  31           HA       HIS  31  -2.427   3.729  10.197
  233    HB2  HIS  31           1HB      HIS  31  -2.940   6.280  10.464
  234    HB3  HIS  31           2HB      HIS  31  -4.506   5.849   9.783
  235    HD1  HIS  31           HD1      HIS  31  -5.506   6.573  12.129
  236    HD2  HIS  31           HD2      HIS  31  -3.060   3.214  12.185
  237    HE1  HIS  31           HE1      HIS  31  -5.957   5.449  14.333
  238    H    ALA  32           H        ALA  32  -2.772   2.980   7.410
  239    HA   ALA  32           HA       ALA  32  -5.470   2.636   6.713
  240    HB1  ALA  32           3HB      ALA  32  -4.649   1.642   4.886
  241    HB2  ALA  32           1HB      ALA  32  -3.067   2.103   5.517
  242    HB3  ALA  32           2HB      ALA  32  -3.704   0.487   5.826
  243    H    ARG  33           H        ARG  33  -5.695  -0.121   6.202
  244    HA   ARG  33           HA       ARG  33  -5.716  -1.341   8.871
  245    HB2  ARG  33           1HB      ARG  33  -8.000  -2.193   8.467
  246    HB3  ARG  33           2HB      ARG  33  -7.943  -0.438   8.554
  247    HG2  ARG  33           1HG      ARG  33  -7.677  -0.746   5.911
  248    HG3  ARG  33           2HG      ARG  33  -8.596  -2.205   6.285
  249    HD2  ARG  33           1HD      ARG  33  -9.777  -0.083   7.726
  250    HD3  ARG  33           2HD      ARG  33  -9.506   0.495   6.083
  251    HE   ARG  33           HE       ARG  33 -11.112  -0.964   5.336
  252   HH11  ARG  33          1HH1      ARG  33 -10.225  -1.789   8.599
  253   HH12  ARG  33          2HH1      ARG  33 -11.504  -2.942   8.794
  254   HH21  ARG  33          1HH2      ARG  33 -12.800  -2.479   5.580
  255   HH22  ARG  33          2HH2      ARG  33 -12.967  -3.334   7.076
  256    H    SER  34           H        SER  34  -5.918  -1.738   5.381
  257    HA   SER  34           HA       SER  34  -4.788  -4.432   5.691
  258    HB2  SER  34           1HB      SER  34  -7.285  -4.436   5.132
  259    HB3  SER  34           2HB      SER  34  -6.824  -3.781   3.560
  260    HG   SER  34           HG       SER  34  -5.647  -6.133   4.591
  261    H    GLY  35           H        GLY  35  -3.313  -2.116   5.230
  262    HA2  GLY  35           1HA      GLY  35  -2.810  -1.310   2.659
  263    HA3  GLY  35           2HA      GLY  35  -1.561  -1.464   3.885
  264    H    GLU  36           H        GLU  36  -2.235  -2.285   0.842
  265    HA   GLU  36           HA       GLU  36  -0.338  -4.471   0.871
  266    HB2  GLU  36           1HB      GLU  36  -2.848  -5.296   1.106
  267    HB3  GLU  36           2HB      GLU  36  -2.853  -5.034  -0.632
  268    HG2  GLU  36           1HG      GLU  36  -1.398  -6.740  -1.038
  269    HG3  GLU  36           2HG      GLU  36  -0.623  -6.604   0.538
  270    H    CYS  37           H        CYS  37   0.056  -5.237  -1.465
  271    HA   CYS  37           HA       CYS  37  -0.025  -2.878  -3.230
  272    HB2  CYS  37           1HB      CYS  37   2.075  -3.593  -4.180
  273    HB3  CYS  37           2HB      CYS  37   2.245  -3.530  -2.429
  274    H    PHE  38           H        PHE  38  -0.498  -3.159  -5.404
  275    HA   PHE  38           HA       PHE  38  -0.880  -5.706  -6.607
  276    HB2  PHE  38           1HB      PHE  38  -3.268  -5.765  -6.794
  277    HB3  PHE  38           2HB      PHE  38  -2.880  -5.571  -5.088
  278    HD1  PHE  38           HD1      PHE  38  -3.250  -3.421  -3.969
  279    HD2  PHE  38           HD2      PHE  38  -4.415  -4.067  -8.011
  280    HE1  PHE  38           HE1      PHE  38  -4.689  -1.427  -3.869
  281    HE2  PHE  38           HE2      PHE  38  -5.855  -2.075  -7.918
  282    HZ   PHE  38           HZ       PHE  38  -5.993  -0.751  -5.845
  283    H    TYR  39           H        TYR  39  -1.946  -5.484  -8.792
  284    HA   TYR  39           HA       TYR  39  -0.680  -3.487 -10.277
  285    HB2  TYR  39           1HB      TYR  39  -2.766  -5.532 -10.830
  286    HB3  TYR  39           2HB      TYR  39  -2.600  -4.221 -11.992
  287    HD1  TYR  39           HD1      TYR  39   0.170  -3.715 -12.272
  288    HD2  TYR  39           HD2      TYR  39  -1.754  -7.451 -11.600
  289    HE1  TYR  39           HE1      TYR  39   2.071  -4.875 -13.315
  290    HE2  TYR  39           HE2      TYR  39   0.143  -8.621 -12.642
  291    HH   TYR  39           HH       TYR  39   1.984  -8.302 -13.998
  292    H    ASP  40           H        ASP  40  -1.112  -1.404 -10.492
  293    HA   ASP  40           HA       ASP  40  -3.663  -0.346  -9.593
  294    HB2  ASP  40           1HB      ASP  40  -2.553   1.876 -10.023
  295    HB3  ASP  40           2HB      ASP  40  -1.741   0.859  -8.837
  296    H    GLU  41           H        GLU  41  -4.221   1.777 -11.056
  297    HA   GLU  41           HA       GLU  41  -5.486   0.771 -13.334
  298    HB2  GLU  41           1HB      GLU  41  -5.971   3.106 -13.896
  299    HB3  GLU  41           2HB      GLU  41  -6.244   2.790 -12.188
  300    HG2  GLU  41           1HG      GLU  41  -3.868   3.696 -11.847
  301    HG3  GLU  41           2HG      GLU  41  -4.034   4.338 -13.481
  302    H    LYS  42           H        LYS  42  -2.272   1.917 -12.870
  303    HA   LYS  42           HA       LYS  42  -1.803   2.259 -15.728
  304    HB2  LYS  42           1HB      LYS  42  -0.033   2.660 -13.314
  305    HB3  LYS  42           2HB      LYS  42   0.522   2.867 -14.970
  306    HG2  LYS  42           1HG      LYS  42  -1.337   4.565 -15.235
  307    HG3  LYS  42           2HG      LYS  42  -1.525   4.483 -13.482
  308    HD2  LYS  42           1HD      LYS  42   0.820   5.137 -13.206
  309    HD3  LYS  42           2HD      LYS  42   1.002   5.222 -14.960
  310    HE2  LYS  42           1HE      LYS  42   0.660   7.442 -14.218
  311    HE3  LYS  42           2HE      LYS  42  -0.858   6.925 -14.949
  312    HZ1  LYS  42           3HZ      LYS  42  -0.610   8.034 -12.501
  313    HZ2  LYS  42           1HZ      LYS  42  -0.687   6.386 -12.128
  314    HZ3  LYS  42           2HZ      LYS  42  -1.930   7.112 -13.017
  315    H    ARG  43           H        ARG  43  -2.290  -0.362 -14.152
  316    HA   ARG  43           HA       ARG  43  -1.603  -2.529 -14.253
  317    HB2  ARG  43           1HB      ARG  43  -0.243  -1.456 -16.727
  318    HB3  ARG  43           2HB      ARG  43  -0.282  -3.163 -16.306
  319    HG2  ARG  43           1HG      ARG  43  -2.331  -3.404 -17.123
  320    HG3  ARG  43           2HG      ARG  43  -2.924  -1.995 -16.242
  321    HD2  ARG  43           1HD      ARG  43  -3.189  -1.660 -18.627
  322    HD3  ARG  43           2HD      ARG  43  -1.993  -0.535 -17.985
  323    HE   ARG  43           HE       ARG  43  -0.567  -2.717 -18.865
  324   HH11  ARG  43          1HH1      ARG  43  -2.750  -0.395 -20.266
  325   HH12  ARG  43          2HH1      ARG  43  -2.023  -0.464 -21.837
  326   HH21  ARG  43          1HH2      ARG  43   0.399  -2.815 -20.929
  327   HH22  ARG  43          2HH2      ARG  43  -0.232  -1.842 -22.214
  328    H    ASN  44           H        ASN  44   0.060  -0.462 -12.855
  329    HA   ASN  44           HA       ASN  44   2.652  -1.858 -12.892
  330    HB2  ASN  44           1HB      ASN  44   1.888   0.963 -12.170
  331    HB3  ASN  44           2HB      ASN  44   3.407   0.261 -11.622
  332   HD21  ASN  44          2HD2      ASN  44   2.587   2.421 -13.605
  333   HD22  ASN  44          1HD2      ASN  44   3.508   2.046 -15.019
  334    H    LEU  45           H        LEU  45   3.405  -2.831 -11.089
  335    HA   LEU  45           HA       LEU  45   1.573  -3.260  -8.918
  336    HB2  LEU  45           1HB      LEU  45   4.446  -4.136  -9.069
  337    HB3  LEU  45           2HB      LEU  45   3.153  -4.837  -8.099
  338    HG   LEU  45           HG       LEU  45   2.988  -4.882 -11.088
  339   HD11  LEU  45          1HD1      LEU  45   4.647  -6.658  -9.328
  340   HD12  LEU  45          2HD1      LEU  45   5.112  -5.832 -10.816
  341   HD13  LEU  45          3HD1      LEU  45   4.008  -7.207 -10.878
  342   HD21  LEU  45          3HD2      LEU  45   1.871  -6.521  -8.826
  343   HD22  LEU  45          1HD2      LEU  45   1.794  -7.036 -10.512
  344   HD23  LEU  45          2HD2      LEU  45   0.996  -5.545 -10.007
  345    H    GLN  46           H        GLN  46   1.344  -1.880  -7.297
  346    HA   GLN  46           HA       GLN  46   3.736  -0.685  -6.103
  347    HB2  GLN  46           1HB      GLN  46   1.238   0.898  -6.721
  348    HB3  GLN  46           2HB      GLN  46   2.700   1.505  -5.955
  349    HG2  GLN  46           1HG      GLN  46   3.834   0.688  -8.166
  350    HG3  GLN  46           2HG      GLN  46   2.196   0.816  -8.806
  351   HE21  GLN  46          2HE2      GLN  46   4.796   2.368  -9.141
  352   HE22  GLN  46          1HE2      GLN  46   4.313   4.017  -8.960
  353    H    CYS  47           H        CYS  47   3.257   0.286  -3.940
  354    HA   CYS  47           HA       CYS  47   1.468  -1.502  -2.487
  355    HB2  CYS  47           1HB      CYS  47   3.861  -1.135  -1.779
  356    HB3  CYS  47           2HB      CYS  47   3.410   0.512  -1.348
  357    H    ILE  48           H        ILE  48  -0.562  -0.849  -2.244
  358    HA   ILE  48           HA       ILE  48  -1.088   2.020  -1.851
  359    HB   ILE  48           HB       ILE  48  -3.084  -0.101  -2.640
  360   HG12  ILE  48          1HG1      ILE  48  -2.788   1.467  -4.845
  361   HG13  ILE  48          2HG1      ILE  48  -1.139   1.449  -4.229
  362   HG21  ILE  48          1HG2      ILE  48  -4.055   1.854  -1.563
  363   HG22  ILE  48          2HG2      ILE  48  -3.220   2.910  -2.700
  364   HG23  ILE  48          3HG2      ILE  48  -4.475   1.813  -3.275
  365   HD11  ILE  48          3HD1      ILE  48  -0.883  -0.468  -5.303
  366   HD12  ILE  48          1HD1      ILE  48  -1.946  -1.196  -4.101
  367   HD13  ILE  48          2HD1      ILE  48  -2.612  -0.600  -5.622
  368    H    CYS  49           H        CYS  49  -2.386   2.720  -0.165
  369    HA   CYS  49           HA       CYS  49  -2.831   0.739   1.968
  370    HB2  CYS  49           1HB      CYS  49  -2.564   3.713   2.381
  371    HB3  CYS  49           2HB      CYS  49  -2.435   2.432   3.583
  372    H    ASP  50           H        ASP  50  -4.768   0.727   3.084
  373    HA   ASP  50           HA       ASP  50  -6.911   2.403   1.948
  374    HB2  ASP  50           1HB      ASP  50  -7.451  -0.325   3.075
  375    HB3  ASP  50           2HB      ASP  50  -8.399   0.608   1.920
  376    H    TYR  51           H        TYR  51  -7.531   3.839   3.413
  377    HA   TYR  51           HA       TYR  51  -7.652   3.001   6.236
  378    HB2  TYR  51           1HB      TYR  51  -5.983   4.753   5.860
  379    HB3  TYR  51           2HB      TYR  51  -7.202   5.770   5.101
  380    HD1  TYR  51           HD2      TYR  51  -7.445   3.724   8.204
  381    HD2  TYR  51           HD1      TYR  51  -7.378   7.623   6.504
  382    HE1  TYR  51           HE2      TYR  51  -8.000   4.685  10.400
  383    HE2  TYR  51           HE1      TYR  51  -7.933   8.595   8.694
  384    HH   TYR  51           HH       TYR  51  -8.921   7.970  10.788
  385    H    CYS  52           H        CYS  52  -9.674   2.624   6.837
  386    HA   CYS  52           HA       CYS  52 -11.845   4.181   5.621
  387    HB2  CYS  52           1HB      CYS  52 -11.817   1.533   7.069
  388    HB3  CYS  52           2HB      CYS  52 -13.305   2.382   6.661
  389    H    GLU  53           H        GLU  53 -13.783   4.435   7.209
  390    HA   GLU  53           HA       GLU  53 -12.731   5.444   9.772
  391    HB2  GLU  53           1HB      GLU  53 -13.392   7.238   8.176
  392    HB3  GLU  53           2HB      GLU  53 -15.027   6.592   8.176
  393    HG2  GLU  53           1HG      GLU  53 -15.436   7.268  10.350
  394    HG3  GLU  53           2HG      GLU  53 -13.722   7.389  10.741
  395    H    TYR  54           H        TYR  54 -13.409   4.191  11.374
  396    HA   TYR  54           HA       TYR  54 -16.145   3.103  11.247
  397    HB2  TYR  54           1HB      TYR  54 -15.234   1.358  12.869
  398    HB3  TYR  54           2HB      TYR  54 -14.670   1.254  11.205
  399    HD1  TYR  54           HD1      TYR  54 -13.690   2.804  14.462
  400    HD2  TYR  54           HD2      TYR  54 -12.406   0.988  10.834
  401    HE1  TYR  54           HE1      TYR  54 -11.362   2.883  15.253
  402    HE2  TYR  54           HE2      TYR  54 -10.075   1.061  11.616
  403    HH   TYR  54           HH       TYR  54  -8.913   1.128  13.935
  Start of MODEL   19
    1    H1   ASP   2           H        ASP   2 -18.740   4.981   4.302
    2    HA   ASP   2           HA       ASP   2 -16.993   4.406   2.339
    3    HB2  ASP   2           1HB      ASP   2 -18.323   6.476   2.416
    4    HB3  ASP   2           2HB      ASP   2 -17.246   7.120   3.652
    5    H    CYS   3           H        CYS   3 -14.812   4.492   1.933
    6    HA   CYS   3           HA       CYS   3 -13.048   5.089   4.210
    7    HB2  CYS   3           1HB      CYS   3 -12.521   2.803   2.319
    8    HB3  CYS   3           2HB      CYS   3 -11.763   3.132   3.875
    9    H    LYS   4           H        LYS   4 -10.676   5.144   3.402
   10    HA   LYS   4           HA       LYS   4 -10.585   6.496   0.786
   11    HB2  LYS   4           1HB      LYS   4  -8.707   7.883   1.855
   12    HB3  LYS   4           2HB      LYS   4 -10.363   8.267   2.306
   13    HG2  LYS   4           1HG      LYS   4 -10.089   6.962   4.366
   14    HG3  LYS   4           2HG      LYS   4  -8.416   6.630   3.918
   15    HD2  LYS   4           1HD      LYS   4  -9.548   9.401   4.280
   16    HD3  LYS   4           2HD      LYS   4  -8.700   8.508   5.544
   17    HE2  LYS   4           1HE      LYS   4  -7.589   9.357   2.872
   18    HE3  LYS   4           2HE      LYS   4  -7.171  10.027   4.449
   19    HZ1  LYS   4           3HZ      LYS   4  -6.614   7.274   3.486
   20    HZ2  LYS   4           1HZ      LYS   4  -6.328   7.807   5.067
   21    HZ3  LYS   4           2HZ      LYS   4  -5.480   8.496   3.775
   22    H    ARG   5           H        ARG   5  -8.646   6.293  -0.402
   23    HA   ARG   5           HA       ARG   5  -6.618   4.456   0.600
   24    HB2  ARG   5           1HB      ARG   5  -6.735   3.124  -1.524
   25    HB3  ARG   5           2HB      ARG   5  -8.111   2.913  -0.449
   26    HG2  ARG   5           1HG      ARG   5  -9.555   4.008  -1.855
   27    HG3  ARG   5           2HG      ARG   5  -8.270   4.944  -2.620
   28    HD2  ARG   5           1HD      ARG   5  -9.014   3.349  -4.216
   29    HD3  ARG   5           2HD      ARG   5  -7.444   2.801  -3.631
   30    HE   ARG   5           HE       ARG   5  -9.578   1.643  -2.146
   31   HH11  ARG   5          1HH1      ARG   5  -7.837   1.431  -5.154
   32   HH12  ARG   5          2HH1      ARG   5  -8.175  -0.253  -5.381
   33   HH21  ARG   5          1HH2      ARG   5 -10.029  -0.574  -2.435
   34   HH22  ARG   5          2HH2      ARG   5  -9.423  -1.393  -3.835
   35    H    LYS   6           H        LYS   6  -4.655   4.487  -0.628
   36    HA   LYS   6           HA       LYS   6  -4.355   6.333  -2.813
   37    HB2  LYS   6           1HB      LYS   6  -4.304   7.967  -1.066
   38    HB3  LYS   6           2HB      LYS   6  -3.221   6.981  -0.093
   39    HG2  LYS   6           1HG      LYS   6  -1.377   7.536  -1.328
   40    HG3  LYS   6           2HG      LYS   6  -2.317   7.867  -2.785
   41    HD2  LYS   6           1HD      LYS   6  -1.504   9.953  -1.940
   42    HD3  LYS   6           2HD      LYS   6  -3.241   9.885  -1.634
   43    HE2  LYS   6           1HE      LYS   6  -2.921   9.443   0.659
   44    HE3  LYS   6           2HE      LYS   6  -1.217   9.055   0.426
   45    HZ1  LYS   6           3HZ      LYS   6  -1.955  11.721  -0.398
   46    HZ2  LYS   6           1HZ      LYS   6  -0.638  11.198   0.527
   47    HZ3  LYS   6           2HZ      LYS   6  -2.143  11.436   1.259
   48    H    VAL   7           H        VAL   7  -2.562   5.900  -4.017
   49    HA   VAL   7           HA       VAL   7  -0.877   3.685  -3.072
   50    HB   VAL   7           HB       VAL   7  -2.035   3.185  -5.135
   51   HG11  VAL   7          1HG1      VAL   7  -1.503   5.916  -5.722
   52   HG12  VAL   7          2HG1      VAL   7  -0.794   4.923  -6.997
   53   HG13  VAL   7          3HG1      VAL   7  -2.508   4.772  -6.611
   54   HG21  VAL   7          3HG2      VAL   7  -0.262   2.137  -6.017
   55   HG22  VAL   7          1HG2      VAL   7   0.590   3.650  -6.330
   56   HG23  VAL   7          2HG2      VAL   7   0.661   2.912  -4.729
   57    H    TYR   8           H        TYR   8   1.240   3.958  -2.736
   58    HA   TYR   8           HA       TYR   8   2.420   6.549  -3.490
   59    HB2  TYR   8           1HB      TYR   8   2.363   5.135  -1.011
   60    HB3  TYR   8           2HB      TYR   8   4.032   5.213  -1.562
   61    HD1  TYR   8           HD2      TYR   8   4.228   7.795  -2.850
   62    HD2  TYR   8           HD1      TYR   8   2.099   6.705   0.668
   63    HE1  TYR   8           HE2      TYR   8   4.392  10.112  -2.040
   64    HE2  TYR   8           HE1      TYR   8   2.255   9.018   1.488
   65    HH   TYR   8           HH       TYR   8   4.345  11.260   0.278
   66    H    GLU   9           H        GLU   9   3.109   5.929  -5.547
   67    HA   GLU   9           HA       GLU   9   4.573   3.583  -6.104
   68    HB2  GLU   9           1HB      GLU   9   5.137   4.643  -8.221
   69    HB3  GLU   9           2HB      GLU   9   3.441   4.907  -7.840
   70    HG2  GLU   9           1HG      GLU   9   4.517   7.124  -6.761
   71    HG3  GLU   9           2HG      GLU   9   5.652   6.831  -8.078
   72    H    ASN  10           H        ASN  10   5.454   6.540  -4.615
   73    HA   ASN  10           HA       ASN  10   8.197   6.631  -5.264
   74    HB2  ASN  10           1HB      ASN  10   8.368   8.329  -3.696
   75    HB3  ASN  10           2HB      ASN  10   6.651   8.388  -4.083
   76   HD21  ASN  10          2HD2      ASN  10   8.265   9.101  -1.656
   77   HD22  ASN  10          1HD2      ASN  10   7.469   8.289  -0.355
   78    H    TYR  11           H        TYR  11   6.424   4.486  -3.325
   79    HA   TYR  11           HA       TYR  11   8.566   3.806  -1.520
   80    HB2  TYR  11           1HB      TYR  11   5.750   3.158  -1.813
   81    HB3  TYR  11           2HB      TYR  11   6.710   1.723  -1.474
   82    HD1  TYR  11           HD2      TYR  11   7.233   5.210  -0.279
   83    HD2  TYR  11           HD1      TYR  11   6.197   1.211   0.746
   84    HE1  TYR  11           HE2      TYR  11   7.286   5.812   2.105
   85    HE2  TYR  11           HE1      TYR  11   6.245   1.805   3.132
   86    HH   TYR  11           HH       TYR  11   7.049   5.102   4.190
   87    HA   PRO  12           HA       PRO  12  10.635   0.732  -3.870
   88    HB2  PRO  12           1HB      PRO  12  11.221  -1.125  -1.978
   89    HB3  PRO  12           2HB      PRO  12  12.031   0.444  -2.068
   90    HG2  PRO  12           1HG      PRO  12   9.781  -0.427  -0.297
   91    HG3  PRO  12           2HG      PRO  12  11.215   0.533   0.108
   92    HD2  PRO  12           1HD      PRO  12   8.790   1.652  -0.328
   93    HD3  PRO  12           2HD      PRO  12  10.308   2.476  -0.735
   94    H    VAL  13           H        VAL  13   9.889  -0.737  -5.255
   95    HA   VAL  13           HA       VAL  13   7.404  -2.054  -4.891
   96    HB   VAL  13           HB       VAL  13   9.546  -2.674  -6.928
   97   HG11  VAL  13          1HG1      VAL  13   6.671  -3.446  -6.636
   98   HG12  VAL  13          2HG1      VAL  13   7.403  -3.326  -8.237
   99   HG13  VAL  13          3HG1      VAL  13   8.063  -4.448  -7.046
  100   HG21  VAL  13          3HG2      VAL  13   7.458  -1.201  -8.090
  101   HG22  VAL  13          1HG2      VAL  13   7.885  -0.359  -6.600
  102   HG23  VAL  13          2HG2      VAL  13   9.121  -0.681  -7.815
  103    H    SER  14           H        SER  14  10.681  -2.908  -4.178
  104    HA   SER  14           HA       SER  14  10.536  -5.691  -4.173
  105    HB2  SER  14           1HB      SER  14  12.110  -4.013  -2.209
  106    HB3  SER  14           2HB      SER  14  12.471  -5.658  -2.737
  107    HG   SER  14           HG       SER  14  13.734  -4.061  -3.821
  108    H    LYS  15           H        LYS  15   9.323  -3.348  -1.900
  109    HA   LYS  15           HA       LYS  15   8.898  -5.145   0.265
  110    HB2  LYS  15           1HB      LYS  15   8.181  -2.356  -0.394
  111    HB3  LYS  15           2HB      LYS  15   7.079  -3.176   0.704
  112    HG2  LYS  15           1HG      LYS  15   8.832  -1.912   1.874
  113    HG3  LYS  15           2HG      LYS  15   8.880  -3.638   2.239
  114    HD2  LYS  15           1HD      LYS  15  10.732  -3.958   0.739
  115    HD3  LYS  15           2HD      LYS  15  10.618  -2.289   0.176
  116    HE2  LYS  15           1HE      LYS  15  11.372  -3.224   2.942
  117    HE3  LYS  15           2HE      LYS  15  12.439  -2.488   1.748
  118    HZ1  LYS  15           3HZ      LYS  15  10.948  -0.494   1.872
  119    HZ2  LYS  15           1HZ      LYS  15  11.848  -0.805   3.269
  120    HZ3  LYS  15           2HZ      LYS  15  10.206  -1.206   3.215
  121    H    CYS  16           H        CYS  16   7.115  -4.331  -2.602
  122    HA   CYS  16           HA       CYS  16   4.534  -5.055  -1.922
  123    HB2  CYS  16           1HB      CYS  16   5.106  -4.065  -4.082
  124    HB3  CYS  16           2HB      CYS  16   5.974  -5.528  -4.541
  125    H    GLN  17           H        GLN  17   7.314  -7.073  -2.539
  126    HA   GLN  17           HA       GLN  17   6.069  -9.522  -3.003
  127    HB2  GLN  17           1HB      GLN  17   8.142 -10.540  -2.490
  128    HB3  GLN  17           2HB      GLN  17   8.540  -8.972  -3.179
  129    HG2  GLN  17           1HG      GLN  17   8.618  -8.178  -0.721
  130    HG3  GLN  17           2HG      GLN  17   8.748  -9.896  -0.347
  131   HE21  GLN  17          2HE2      GLN  17  10.825  -9.675   0.464
  132   HE22  GLN  17          1HE2      GLN  17  12.191  -9.397  -0.556
  133    H    LEU  18           H        LEU  18   6.358  -7.674  -0.105
  134    HA   LEU  18           HA       LEU  18   5.418  -9.949   1.502
  135    HB2  LEU  18           1HB      LEU  18   6.539  -7.300   2.404
  136    HB3  LEU  18           2HB      LEU  18   6.072  -8.638   3.453
  137    HG   LEU  18           HG       LEU  18   8.244  -8.902   1.390
  138   HD11  LEU  18          1HD1      LEU  18   8.365  -7.779   4.160
  139   HD12  LEU  18          2HD1      LEU  18   9.123  -7.189   2.681
  140   HD13  LEU  18          3HD1      LEU  18   9.743  -8.638   3.472
  141   HD21  LEU  18          3HD2      LEU  18   7.103 -10.910   2.470
  142   HD22  LEU  18          1HD2      LEU  18   7.883 -10.400   3.968
  143   HD23  LEU  18          2HD2      LEU  18   8.863 -10.835   2.567
  144    H    ALA  19           H        ALA  19   3.482  -9.898   2.535
  145    HA   ALA  19           HA       ALA  19   1.619  -7.825   1.711
  146    HB1  ALA  19           3HB      ALA  19   1.260 -10.456   3.126
  147    HB2  ALA  19           1HB      ALA  19  -0.061  -9.318   2.857
  148    HB3  ALA  19           2HB      ALA  19   0.785 -10.029   1.482
  149    H    ASN  20           H        ASN  20   3.036  -9.108   4.681
  150    HA   ASN  20           HA       ASN  20   1.519  -7.448   6.433
  151    HB2  ASN  20           1HB      ASN  20   4.119  -8.932   6.882
  152    HB3  ASN  20           2HB      ASN  20   3.166  -8.166   8.151
  153   HD21  ASN  20          2HD2      ASN  20   3.560 -10.905   6.159
  154   HD22  ASN  20          1HD2      ASN  20   2.215 -11.815   6.750
  155    H    GLN  21           H        GLN  21   4.619  -7.157   4.813
  156    HA   GLN  21           HA       GLN  21   5.645  -4.971   6.235
  157    HB2  GLN  21           1HB      GLN  21   6.923  -6.390   4.623
  158    HB3  GLN  21           2HB      GLN  21   6.071  -5.591   3.309
  159    HG2  GLN  21           1HG      GLN  21   8.399  -4.754   3.864
  160    HG3  GLN  21           2HG      GLN  21   7.124  -3.546   3.712
  161   HE21  GLN  21          2HE2      GLN  21   9.184  -5.278   5.930
  162   HE22  GLN  21          1HE2      GLN  21   8.981  -4.204   7.267
  163    H    CYS  22           H        CYS  22   3.648  -5.092   3.302
  164    HA   CYS  22           HA       CYS  22   3.561  -2.363   2.756
  165    HB2  CYS  22           1HB      CYS  22   2.138  -4.734   1.921
  166    HB3  CYS  22           2HB      CYS  22   1.027  -3.378   2.089
  167    H    ASN  23           H        ASN  23   1.075  -4.273   4.465
  168    HA   ASN  23           HA       ASN  23  -0.433  -2.070   5.322
  169    HB2  ASN  23           1HB      ASN  23  -1.549  -4.125   5.418
  170    HB3  ASN  23           2HB      ASN  23  -0.214  -4.919   6.249
  171   HD21  ASN  23          2HD2      ASN  23   0.087  -4.537   8.469
  172   HD22  ASN  23          1HD2      ASN  23  -1.203  -3.956   9.461
  173    H    TYR  24           H        TYR  24   2.399  -3.612   6.658
  174    HA   TYR  24           HA       TYR  24   2.287  -2.612   9.271
  175    HB2  TYR  24           1HB      TYR  24   3.856  -4.352   8.701
  176    HB3  TYR  24           2HB      TYR  24   4.660  -3.310   7.533
  177    HD1  TYR  24           HD1      TYR  24   3.946  -3.663  11.166
  178    HD2  TYR  24           HD2      TYR  24   6.473  -1.980   8.185
  179    HE1  TYR  24           HE1      TYR  24   5.505  -2.919  12.917
  180    HE2  TYR  24           HE2      TYR  24   8.039  -1.232   9.927
  181    HH   TYR  24           HH       TYR  24   7.311  -0.956  13.058
  182    H    ASP  25           H        ASP  25   3.886  -1.287   6.383
  183    HA   ASP  25           HA       ASP  25   4.662   1.123   7.747
  184    HB2  ASP  25           1HB      ASP  25   4.816   0.200   4.884
  185    HB3  ASP  25           2HB      ASP  25   5.252   1.842   5.349
  186    H    CYS  26           H        CYS  26   1.980   0.063   5.807
  187    HA   CYS  26           HA       CYS  26   0.995   2.659   5.149
  188    HB2  CYS  26           1HB      CYS  26  -0.184  -0.109   5.075
  189    HB3  CYS  26           2HB      CYS  26  -1.166   1.309   4.719
  190    H    LYS  27           H        LYS  27   0.548   0.442   7.816
  191    HA   LYS  27           HA       LYS  27  -1.610   2.013   8.957
  192    HB2  LYS  27           1HB      LYS  27  -0.169  -0.477   9.864
  193    HB3  LYS  27           2HB      LYS  27  -1.382   0.331  10.849
  194    HG2  LYS  27           1HG      LYS  27  -2.832   0.086   8.664
  195    HG3  LYS  27           2HG      LYS  27  -1.702  -1.232   8.343
  196    HD2  LYS  27           1HD      LYS  27  -3.591  -2.145   9.492
  197    HD3  LYS  27           2HD      LYS  27  -2.230  -2.131  10.616
  198    HE2  LYS  27           1HE      LYS  27  -3.469   0.338  10.962
  199    HE3  LYS  27           2HE      LYS  27  -4.797  -0.811  10.802
  200    HZ1  LYS  27           3HZ      LYS  27  -4.444  -1.192  12.957
  201    HZ2  LYS  27           1HZ      LYS  27  -2.913  -0.473  12.949
  202    HZ3  LYS  27           2HZ      LYS  27  -3.093  -2.085  12.468
  203    H    LEU  28           H        LEU  28   1.737   2.128   8.932
  204    HA   LEU  28           HA       LEU  28   2.123   3.072  11.625
  205    HB2  LEU  28           1HB      LEU  28   3.786   1.921   9.911
  206    HB3  LEU  28           2HB      LEU  28   4.115   3.598   9.484
  207    HG   LEU  28           HG       LEU  28   5.764   2.860  11.058
  208   HD11  LEU  28          1HD1      LEU  28   5.522   4.520  12.773
  209   HD12  LEU  28          2HD1      LEU  28   3.777   4.587  12.524
  210   HD13  LEU  28          3HD1      LEU  28   4.869   5.167  11.266
  211   HD21  LEU  28          3HD2      LEU  28   5.252   1.964  13.216
  212   HD22  LEU  28          1HD2      LEU  28   4.385   1.013  12.010
  213   HD23  LEU  28          2HD2      LEU  28   3.523   2.218  12.969
  214    H    ASP  29           H        ASP  29   2.600   4.617   8.443
  215    HA   ASP  29           HA       ASP  29   2.264   7.233   9.699
  216    HB2  ASP  29           1HB      ASP  29   3.444   6.248   7.147
  217    HB3  ASP  29           2HB      ASP  29   2.786   7.882   7.166
  218    H    LYS  30           H        LYS  30   0.970   5.426   6.916
  219    HA   LYS  30           HA       LYS  30  -1.118   7.300   6.415
  220    HB2  LYS  30           1HB      LYS  30  -0.275   4.676   5.350
  221    HB3  LYS  30           2HB      LYS  30  -1.991   5.034   5.202
  222    HG2  LYS  30           1HG      LYS  30   0.088   6.995   4.304
  223    HG3  LYS  30           2HG      LYS  30  -0.445   5.671   3.264
  224    HD2  LYS  30           1HD      LYS  30  -2.603   7.225   4.524
  225    HD3  LYS  30           2HD      LYS  30  -1.619   8.113   3.359
  226    HE2  LYS  30           1HE      LYS  30  -3.090   7.235   1.885
  227    HE3  LYS  30           2HE      LYS  30  -2.013   5.843   1.981
  228    HZ1  LYS  30           3HZ      LYS  30  -4.442   6.191   3.651
  229    HZ2  LYS  30           1HZ      LYS  30  -3.458   4.817   3.564
  230    HZ3  LYS  30           2HZ      LYS  30  -4.388   5.278   2.228
  231    H    HIS  31           H        HIS  31  -0.695   4.940   8.774
  232    HA   HIS  31           HA       HIS  31  -2.069   3.908  10.275
  233    HB2  HIS  31           1HB      HIS  31  -3.429   6.540   9.772
  234    HB3  HIS  31           2HB      HIS  31  -4.115   5.375  10.900
  235    HD1  HIS  31           HD1      HIS  31  -1.762   8.105  10.723
  236    HD2  HIS  31           HD2      HIS  31  -2.191   4.688  13.046
  237    HE1  HIS  31           HE1      HIS  31  -0.341   8.495  12.762
  238    H    ALA  32           H        ALA  32  -2.457   3.209   7.481
  239    HA   ALA  32           HA       ALA  32  -5.171   3.012   6.787
  240    HB1  ALA  32           3HB      ALA  32  -2.795   2.362   5.584
  241    HB2  ALA  32           1HB      ALA  32  -3.527   0.782   5.871
  242    HB3  ALA  32           2HB      ALA  32  -4.400   2.005   4.946
  243    H    ARG  33           H        ARG  33  -5.565   0.292   6.249
  244    HA   ARG  33           HA       ARG  33  -5.647  -0.953   8.907
  245    HB2  ARG  33           1HB      ARG  33  -7.832   0.187   8.295
  246    HB3  ARG  33           2HB      ARG  33  -7.989  -1.003   7.009
  247    HG2  ARG  33           1HG      ARG  33  -7.597  -2.680   9.021
  248    HG3  ARG  33           2HG      ARG  33  -8.254  -1.326   9.942
  249    HD2  ARG  33           1HD      ARG  33 -10.220  -2.318   9.418
  250    HD3  ARG  33           2HD      ARG  33 -10.023  -1.386   7.935
  251    HE   ARG  33           HE       ARG  33  -8.768  -3.729   7.390
  252   HH11  ARG  33          1HH1      ARG  33 -11.941  -2.902   8.559
  253   HH12  ARG  33          2HH1      ARG  33 -12.706  -4.282   7.846
  254   HH21  ARG  33          1HH2      ARG  33  -9.764  -5.551   6.447
  255   HH22  ARG  33          2HH2      ARG  33 -11.467  -5.790   6.645
  256    H    SER  34           H        SER  34  -5.870  -1.332   5.412
  257    HA   SER  34           HA       SER  34  -4.840  -4.067   5.715
  258    HB2  SER  34           1HB      SER  34  -7.386  -3.806   5.099
  259    HB3  SER  34           2HB      SER  34  -6.752  -3.451   3.492
  260    HG   SER  34           HG       SER  34  -7.230  -5.725   3.979
  261    H    GLY  35           H        GLY  35  -3.289  -1.796   5.245
  262    HA2  GLY  35           1HA      GLY  35  -2.768  -1.025   2.666
  263    HA3  GLY  35           2HA      GLY  35  -1.523  -1.203   3.895
  264    H    GLU  36           H        GLU  36  -2.366  -2.111   0.867
  265    HA   GLU  36           HA       GLU  36  -0.473  -4.315   0.902
  266    HB2  GLU  36           1HB      GLU  36  -2.975  -5.096   1.208
  267    HB3  GLU  36           2HB      GLU  36  -3.046  -4.828  -0.527
  268    HG2  GLU  36           1HG      GLU  36  -1.553  -6.522  -0.988
  269    HG3  GLU  36           2HG      GLU  36  -0.851  -6.482   0.628
  270    H    CYS  37           H        CYS  37   0.065  -5.041  -1.337
  271    HA   CYS  37           HA       CYS  37   0.017  -2.725  -3.142
  272    HB2  CYS  37           1HB      CYS  37   2.030  -3.554  -4.113
  273    HB3  CYS  37           2HB      CYS  37   2.227  -3.680  -2.367
  274    H    PHE  38           H        PHE  38  -0.374  -3.009  -5.377
  275    HA   PHE  38           HA       PHE  38  -1.198  -5.525  -6.450
  276    HB2  PHE  38           1HB      PHE  38  -3.164  -4.518  -4.988
  277    HB3  PHE  38           2HB      PHE  38  -3.432  -3.543  -6.429
  278    HD1  PHE  38           HD2      PHE  38  -2.587  -7.121  -5.766
  279    HD2  PHE  38           HD1      PHE  38  -5.133  -4.336  -7.735
  280    HE1  PHE  38           HE2      PHE  38  -3.829  -8.983  -6.788
  281    HE2  PHE  38           HE1      PHE  38  -6.380  -6.193  -8.758
  282    HZ   PHE  38           HZ       PHE  38  -5.728  -8.520  -8.285
  283    H    TYR  39           H        TYR  39  -2.269  -5.146  -8.685
  284    HA   TYR  39           HA       TYR  39  -0.491  -3.531 -10.199
  285    HB2  TYR  39           1HB      TYR  39  -2.986  -5.057 -10.944
  286    HB3  TYR  39           2HB      TYR  39  -2.012  -4.183 -12.121
  287    HD1  TYR  39           HD2      TYR  39  -1.753  -6.837  -9.517
  288    HD2  TYR  39           HD1      TYR  39  -0.221  -5.250 -13.155
  289    HE1  TYR  39           HE2      TYR  39  -0.288  -8.800  -9.749
  290    HE2  TYR  39           HE1      TYR  39   1.248  -7.208 -13.397
  291    HH   TYR  39           HH       TYR  39   1.091  -9.754 -12.459
  292    H    ASP  40           H        ASP  40  -0.795  -1.601 -11.225
  293    HA   ASP  40           HA       ASP  40  -3.148  -0.061 -10.378
  294    HB2  ASP  40           1HB      ASP  40  -0.321   0.652 -11.007
  295    HB3  ASP  40           2HB      ASP  40  -1.567   1.856 -11.323
  296    H    GLU  41           H        GLU  41  -3.788   1.700 -11.996
  297    HA   GLU  41           HA       GLU  41  -4.783   0.498 -14.309
  298    HB2  GLU  41           1HB      GLU  41  -4.326   3.463 -14.062
  299    HB3  GLU  41           2HB      GLU  41  -5.616   2.624 -14.914
  300    HG2  GLU  41           1HG      GLU  41  -5.263   2.931 -11.949
  301    HG3  GLU  41           2HG      GLU  41  -6.559   3.567 -12.960
  302    H    LYS  42           H        LYS  42  -1.711   1.901 -13.667
  303    HA   LYS  42           HA       LYS  42  -1.055   2.216 -16.487
  304    HB2  LYS  42           1HB      LYS  42   0.542   2.726 -13.973
  305    HB3  LYS  42           2HB      LYS  42   1.156   2.990 -15.600
  306    HG2  LYS  42           1HG      LYS  42  -0.647   4.624 -15.985
  307    HG3  LYS  42           2HG      LYS  42  -1.177   4.396 -14.317
  308    HD2  LYS  42           1HD      LYS  42   0.159   6.278 -14.149
  309    HD3  LYS  42           2HD      LYS  42   1.288   4.987 -13.733
  310    HE2  LYS  42           1HE      LYS  42   2.353   5.090 -15.806
  311    HE3  LYS  42           2HE      LYS  42   1.006   5.943 -16.560
  312    HZ1  LYS  42           3HZ      LYS  42   1.609   7.777 -14.864
  313    HZ2  LYS  42           1HZ      LYS  42   2.543   7.607 -16.264
  314    HZ3  LYS  42           2HZ      LYS  42   3.108   6.996 -14.791
  315    H    ARG  43           H        ARG  43  -1.499  -0.408 -14.893
  316    HA   ARG  43           HA       ARG  43  -0.697  -2.537 -14.933
  317    HB2  ARG  43           1HB      ARG  43   0.630  -1.326 -17.338
  318    HB3  ARG  43           2HB      ARG  43   0.997  -2.978 -16.858
  319    HG2  ARG  43           1HG      ARG  43  -0.688  -3.358 -18.339
  320    HG3  ARG  43           2HG      ARG  43  -1.624  -3.204 -16.851
  321    HD2  ARG  43           1HD      ARG  43  -2.689  -1.908 -18.568
  322    HD3  ARG  43           2HD      ARG  43  -1.978  -0.806 -17.388
  323    HE   ARG  43           HE       ARG  43  -0.601  -0.005 -19.028
  324   HH11  ARG  43          1HH1      ARG  43  -1.941  -3.047 -20.060
  325   HH12  ARG  43          2HH1      ARG  43  -1.304  -2.931 -21.668
  326   HH21  ARG  43          1HH2      ARG  43   0.243   0.160 -21.141
  327   HH22  ARG  43          2HH2      ARG  43  -0.061  -1.107 -22.280
  328    H    ASN  44           H        ASN  44   0.501  -0.820 -13.088
  329    HA   ASN  44           HA       ASN  44   3.217  -1.949 -12.969
  330    HB2  ASN  44           1HB      ASN  44   2.717   0.717 -13.334
  331    HB3  ASN  44           2HB      ASN  44   2.845   0.618 -11.580
  332   HD21  ASN  44          2HD2      ASN  44   4.633   2.004 -13.237
  333   HD22  ASN  44          1HD2      ASN  44   6.181   1.244 -13.115
  334    H    LEU  45           H        LEU  45   3.984  -2.508 -10.913
  335    HA   LEU  45           HA       LEU  45   1.874  -3.054  -8.982
  336    HB2  LEU  45           1HB      LEU  45   4.739  -3.858  -8.663
  337    HB3  LEU  45           2HB      LEU  45   3.289  -4.645  -8.041
  338    HG   LEU  45           HG       LEU  45   4.034  -4.581 -10.962
  339   HD11  LEU  45          1HD1      LEU  45   5.754  -5.755  -9.679
  340   HD12  LEU  45          2HD1      LEU  45   4.814  -6.866 -10.674
  341   HD13  LEU  45          3HD1      LEU  45   4.512  -6.766  -8.939
  342   HD21  LEU  45          3HD2      LEU  45   1.749  -5.521  -9.430
  343   HD22  LEU  45          1HD2      LEU  45   2.469  -6.786 -10.426
  344   HD23  LEU  45          2HD2      LEU  45   1.927  -5.281 -11.169
  345    H    GLN  46           H        GLN  46   1.540  -1.851  -7.239
  346    HA   GLN  46           HA       GLN  46   3.769  -0.424  -6.006
  347    HB2  GLN  46           1HB      GLN  46   1.176   0.951  -6.721
  348    HB3  GLN  46           2HB      GLN  46   2.555   1.676  -5.903
  349    HG2  GLN  46           1HG      GLN  46   2.613   0.586  -8.707
  350    HG3  GLN  46           2HG      GLN  46   2.378   2.283  -8.291
  351   HE21  GLN  46          2HE2      GLN  46   4.353   2.128  -9.834
  352   HE22  GLN  46          1HE2      GLN  46   5.890   2.103  -9.045
  353    H    CYS  47           H        CYS  47   3.210   0.433  -3.850
  354    HA   CYS  47           HA       CYS  47   1.427  -1.434  -2.484
  355    HB2  CYS  47           1HB      CYS  47   3.796  -1.076  -1.712
  356    HB3  CYS  47           2HB      CYS  47   3.337   0.562  -1.258
  357    H    ILE  48           H        ILE  48  -0.616  -0.804  -2.278
  358    HA   ILE  48           HA       ILE  48  -1.213   2.046  -1.927
  359    HB   ILE  48           HB       ILE  48  -3.155  -0.199  -2.472
  360   HG12  ILE  48          1HG1      ILE  48  -3.086   1.226  -4.772
  361   HG13  ILE  48          2HG1      ILE  48  -1.411   1.392  -4.259
  362   HG21  ILE  48          1HG2      ILE  48  -3.444   2.796  -2.669
  363   HG22  ILE  48          2HG2      ILE  48  -4.672   1.614  -3.118
  364   HG23  ILE  48          3HG2      ILE  48  -4.161   1.759  -1.436
  365   HD11  ILE  48          3HD1      ILE  48  -2.718  -0.827  -5.495
  366   HD12  ILE  48          1HD1      ILE  48  -1.006  -0.587  -5.150
  367   HD13  ILE  48          2HD1      ILE  48  -2.058  -1.313  -3.934
  368    H    CYS  49           H        CYS  49  -2.365   2.825  -0.191
  369    HA   CYS  49           HA       CYS  49  -2.761   0.936   2.038
  370    HB2  CYS  49           1HB      CYS  49  -2.185   3.884   2.335
  371    HB3  CYS  49           2HB      CYS  49  -2.139   2.643   3.583
  372    H    ASP  50           H        ASP  50  -4.740   0.798   2.884
  373    HA   ASP  50           HA       ASP  50  -6.727   2.816   2.072
  374    HB2  ASP  50           1HB      ASP  50  -7.072  -0.132   2.643
  375    HB3  ASP  50           2HB      ASP  50  -8.414   0.984   2.409
  376    H    TYR  51           H        TYR  51  -7.471   4.059   3.648
  377    HA   TYR  51           HA       TYR  51  -7.337   3.053   6.414
  378    HB2  TYR  51           1HB      TYR  51  -5.869   4.955   6.090
  379    HB3  TYR  51           2HB      TYR  51  -7.179   5.891   5.378
  380    HD1  TYR  51           HD2      TYR  51  -7.262   3.755   8.423
  381    HD2  TYR  51           HD1      TYR  51  -7.408   7.702   6.840
  382    HE1  TYR  51           HE2      TYR  51  -7.850   4.620  10.649
  383    HE2  TYR  51           HE1      TYR  51  -7.995   8.578   9.062
  384    HH   TYR  51           HH       TYR  51  -7.801   6.651  11.905
  385    H    CYS  52           H        CYS  52  -9.224   2.625   7.325
  386    HA   CYS  52           HA       CYS  52 -11.575   4.208   6.534
  387    HB2  CYS  52           1HB      CYS  52 -11.399   1.764   5.621
  388    HB3  CYS  52           2HB      CYS  52 -11.842   1.311   7.263
  389    H    GLU  53           H        GLU  53 -12.890   4.869   8.159
  390    HA   GLU  53           HA       GLU  53 -12.239   3.936  10.877
  391    HB2  GLU  53           1HB      GLU  53 -11.369   6.180  10.588
  392    HB3  GLU  53           2HB      GLU  53 -12.918   6.738   9.972
  393    HG2  GLU  53           1HG      GLU  53 -13.914   6.693  12.055
  394    HG3  GLU  53           2HG      GLU  53 -12.734   5.558  12.707
  395    H    TYR  54           H        TYR  54 -13.907   2.600  11.304
  396    HA   TYR  54           HA       TYR  54 -16.516   2.806  10.364
  397    HB2  TYR  54           1HB      TYR  54 -17.118   1.271  12.201
  398    HB3  TYR  54           2HB      TYR  54 -15.652   0.761  11.371
  399    HD1  TYR  54           HD1      TYR  54 -16.977   2.277  14.461
  400    HD2  TYR  54           HD2      TYR  54 -13.558   0.655  12.517
  401    HE1  TYR  54           HE1      TYR  54 -15.791   2.211  16.615
  402    HE2  TYR  54           HE2      TYR  54 -12.362   0.584  14.665
  403    HH   TYR  54           HH       TYR  54 -13.930   1.026  17.655
  Start of MODEL   20
    1    H1   ASP   2           H        ASP   2 -18.373   4.903   4.032
    2    HA   ASP   2           HA       ASP   2 -16.897   4.265   1.571
    3    HB2  ASP   2           1HB      ASP   2 -17.820   6.898   2.727
    4    HB3  ASP   2           2HB      ASP   2 -16.719   6.781   1.356
    5    H    CYS   3           H        CYS   3 -14.748   4.152   1.600
    6    HA   CYS   3           HA       CYS   3 -13.336   5.209   3.962
    7    HB2  CYS   3           1HB      CYS   3 -12.350   2.912   2.281
    8    HB3  CYS   3           2HB      CYS   3 -11.838   3.382   3.899
    9    H    LYS   4           H        LYS   4 -10.899   5.477   3.450
   10    HA   LYS   4           HA       LYS   4 -10.639   6.786   0.822
   11    HB2  LYS   4           1HB      LYS   4 -10.614   8.581   2.302
   12    HB3  LYS   4           2HB      LYS   4  -9.779   7.669   3.553
   13    HG2  LYS   4           1HG      LYS   4  -8.356   9.393   2.567
   14    HG3  LYS   4           2HG      LYS   4  -7.713   7.773   2.292
   15    HD2  LYS   4           1HD      LYS   4  -7.697   8.145   0.102
   16    HD3  LYS   4           2HD      LYS   4  -9.440   8.420   0.128
   17    HE2  LYS   4           1HE      LYS   4  -9.201  10.719   0.340
   18    HE3  LYS   4           2HE      LYS   4  -7.555  10.590   0.960
   19    HZ1  LYS   4           3HZ      LYS   4  -7.028  11.169  -1.130
   20    HZ2  LYS   4           1HZ      LYS   4  -8.501  10.649  -1.779
   21    HZ3  LYS   4           2HZ      LYS   4  -7.272   9.529  -1.469
   22    H    ARG   5           H        ARG   5  -9.141   5.930  -0.450
   23    HA   ARG   5           HA       ARG   5  -6.855   4.552   0.796
   24    HB2  ARG   5           1HB      ARG   5  -6.895   2.987  -1.150
   25    HB3  ARG   5           2HB      ARG   5  -8.297   2.853  -0.099
   26    HG2  ARG   5           1HG      ARG   5  -9.267   2.787  -2.175
   27    HG3  ARG   5           2HG      ARG   5  -9.382   4.506  -1.792
   28    HD2  ARG   5           1HD      ARG   5  -7.752   5.090  -3.299
   29    HD3  ARG   5           2HD      ARG   5  -6.962   3.516  -3.215
   30    HE   ARG   5           HE       ARG   5  -9.367   2.988  -4.373
   31   HH11  ARG   5          1HH1      ARG   5  -6.753   5.181  -5.066
   32   HH12  ARG   5          2HH1      ARG   5  -7.026   5.172  -6.776
   33   HH21  ARG   5          1HH2      ARG   5  -9.736   2.969  -6.624
   34   HH22  ARG   5          2HH2      ARG   5  -8.723   3.914  -7.662
   35    H    LYS   6           H        LYS   6  -4.944   4.393  -0.628
   36    HA   LYS   6           HA       LYS   6  -4.730   6.111  -2.904
   37    HB2  LYS   6           1HB      LYS   6  -4.686   7.805  -1.133
   38    HB3  LYS   6           2HB      LYS   6  -3.363   6.958  -0.342
   39    HG2  LYS   6           1HG      LYS   6  -1.834   7.552  -1.991
   40    HG3  LYS   6           2HG      LYS   6  -3.099   7.938  -3.159
   41    HD2  LYS   6           1HD      LYS   6  -3.741   9.884  -1.841
   42    HD3  LYS   6           2HD      LYS   6  -2.518   9.486  -0.633
   43    HE2  LYS   6           1HE      LYS   6  -1.530  11.149  -1.956
   44    HE3  LYS   6           2HE      LYS   6  -0.831   9.640  -2.541
   45    HZ1  LYS   6           3HZ      LYS   6  -1.814   9.862  -4.530
   46    HZ2  LYS   6           1HZ      LYS   6  -1.917  11.500  -4.120
   47    HZ3  LYS   6           2HZ      LYS   6  -3.250  10.486  -3.890
   48    H    VAL   7           H        VAL   7  -2.693   5.944  -3.959
   49    HA   VAL   7           HA       VAL   7  -1.176   3.573  -3.121
   50    HB   VAL   7           HB       VAL   7  -2.095   3.392  -5.349
   51   HG11  VAL   7          1HG1      VAL   7  -0.618   5.957  -5.926
   52   HG12  VAL   7          2HG1      VAL   7  -1.401   4.945  -7.142
   53   HG13  VAL   7          3HG1      VAL   7  -2.366   5.729  -5.891
   54   HG21  VAL   7          3HG2      VAL   7  -0.078   2.900  -6.593
   55   HG22  VAL   7          1HG2      VAL   7   0.869   3.924  -5.513
   56   HG23  VAL   7          2HG2      VAL   7   0.139   2.438  -4.905
   57    H    TYR   8           H        TYR   8   1.001   3.628  -2.791
   58    HA   TYR   8           HA       TYR   8   2.202   6.290  -2.592
   59    HB2  TYR   8           1HB      TYR   8   2.249   4.031  -0.922
   60    HB3  TYR   8           2HB      TYR   8   3.872   4.157  -1.591
   61    HD1  TYR   8           HD2      TYR   8   4.336   7.005  -1.784
   62    HD2  TYR   8           HD1      TYR   8   2.320   4.812   1.255
   63    HE1  TYR   8           HE2      TYR   8   4.872   8.773  -0.161
   64    HE2  TYR   8           HE1      TYR   8   2.849   6.576   2.886
   65    HH   TYR   8           HH       TYR   8   5.101   9.050   2.251
   66    H    GLU   9           H        GLU   9   3.676   6.974  -3.993
   67    HA   GLU   9           HA       GLU   9   4.661   5.132  -6.020
   68    HB2  GLU   9           1HB      GLU   9   5.505   7.172  -7.132
   69    HB3  GLU   9           2HB      GLU   9   3.782   7.252  -6.794
   70    HG2  GLU   9           1HG      GLU   9   5.593   8.386  -4.754
   71    HG3  GLU   9           2HG      GLU   9   5.464   9.254  -6.283
   72    H    ASN  10           H        ASN  10   5.712   6.536  -3.106
   73    HA   ASN  10           HA       ASN  10   8.542   6.311  -3.766
   74    HB2  ASN  10           1HB      ASN  10   7.307   8.127  -2.251
   75    HB3  ASN  10           2HB      ASN  10   7.626   6.930  -0.999
   76   HD21  ASN  10          2HD2      ASN  10   8.741   9.681  -2.014
   77   HD22  ASN  10          1HD2      ASN  10  10.446   9.467  -1.833
   78    H    TYR  11           H        TYR  11   6.471   4.046  -3.334
   79    HA   TYR  11           HA       TYR  11   7.833   2.586  -1.192
   80    HB2  TYR  11           1HB      TYR  11   5.283   2.743  -1.359
   81    HB3  TYR  11           2HB      TYR  11   5.417   1.646  -2.728
   82    HD1  TYR  11           HD1      TYR  11   6.498  -0.625  -2.344
   83    HD2  TYR  11           HD2      TYR  11   5.284   1.923   0.840
   84    HE1  TYR  11           HE1      TYR  11   6.516  -2.546  -0.808
   85    HE2  TYR  11           HE2      TYR  11   5.300   0.009   2.385
   86    HH   TYR  11           HH       TYR  11   5.175  -3.032   1.545
   87    HA   PRO  12           HA       PRO  12  10.215   0.302  -4.129
   88    HB2  PRO  12           1HB      PRO  12  11.003  -1.701  -2.476
   89    HB3  PRO  12           2HB      PRO  12  11.684  -0.071  -2.403
   90    HG2  PRO  12           1HG      PRO  12   9.563  -1.317  -0.695
   91    HG3  PRO  12           2HG      PRO  12  10.930  -0.294  -0.214
   92    HD2  PRO  12           1HD      PRO  12   8.411   0.665  -0.468
   93    HD3  PRO  12           2HD      PRO  12   9.847   1.651  -0.811
   94    H    VAL  13           H        VAL  13   9.512  -1.032  -5.665
   95    HA   VAL  13           HA       VAL  13   7.162  -2.587  -5.399
   96    HB   VAL  13           HB       VAL  13   9.293  -2.750  -7.535
   97   HG11  VAL  13          1HG1      VAL  13   6.607  -3.990  -7.219
   98   HG12  VAL  13          2HG1      VAL  13   7.122  -3.491  -8.831
   99   HG13  VAL  13          3HG1      VAL  13   8.083  -4.654  -7.917
  100   HG21  VAL  13          3HG2      VAL  13   7.051  -1.448  -8.538
  101   HG22  VAL  13          1HG2      VAL  13   7.291  -0.754  -6.934
  102   HG23  VAL  13          2HG2      VAL  13   8.599  -0.715  -8.117
  103    H    SER  14           H        SER  14  10.552  -3.285  -4.989
  104    HA   SER  14           HA       SER  14  10.423  -6.099  -5.174
  105    HB2  SER  14           1HB      SER  14  12.370  -4.657  -3.389
  106    HB3  SER  14           2HB      SER  14  12.621  -6.116  -4.346
  107    HG   SER  14           HG       SER  14  13.050  -3.565  -5.035
  108    H    LYS  15           H        LYS  15  10.347  -3.931  -2.353
  109    HA   LYS  15           HA       LYS  15   9.848  -6.075  -0.515
  110    HB2  LYS  15           1HB      LYS  15  10.248  -3.166  -0.374
  111    HB3  LYS  15           2HB      LYS  15   9.137  -3.801   0.832
  112    HG2  LYS  15           1HG      LYS  15  11.450  -3.678   1.644
  113    HG3  LYS  15           2HG      LYS  15  10.821  -5.327   1.641
  114    HD2  LYS  15           1HD      LYS  15  12.043  -5.866  -0.339
  115    HD3  LYS  15           2HD      LYS  15  12.505  -4.179  -0.579
  116    HE2  LYS  15           1HE      LYS  15  13.637  -4.375   1.718
  117    HE3  LYS  15           2HE      LYS  15  13.463  -6.117   1.505
  118    HZ1  LYS  15           3HZ      LYS  15  14.700  -5.914  -0.588
  119    HZ2  LYS  15           1HZ      LYS  15  15.614  -5.406   0.742
  120    HZ3  LYS  15           2HZ      LYS  15  14.924  -4.264  -0.297
  121    H    CYS  16           H        CYS  16   7.931  -4.465  -2.726
  122    HA   CYS  16           HA       CYS  16   5.504  -4.190  -1.306
  123    HB2  CYS  16           1HB      CYS  16   6.414  -3.674  -3.909
  124    HB3  CYS  16           2HB      CYS  16   5.087  -4.816  -4.098
  125    H    GLN  17           H        GLN  17   7.050  -6.891  -2.878
  126    HA   GLN  17           HA       GLN  17   4.892  -8.614  -3.204
  127    HB2  GLN  17           1HB      GLN  17   6.472 -10.386  -3.326
  128    HB3  GLN  17           2HB      GLN  17   7.261  -8.966  -3.999
  129    HG2  GLN  17           1HG      GLN  17   8.292  -8.625  -1.714
  130    HG3  GLN  17           2HG      GLN  17   7.710 -10.243  -1.322
  131   HE21  GLN  17          2HE2      GLN  17   9.296  -8.714  -4.108
  132   HE22  GLN  17          1HE2      GLN  17  10.542  -9.900  -4.266
  133    H    LEU  18           H        LEU  18   6.522  -7.600  -0.327
  134    HA   LEU  18           HA       LEU  18   5.673  -9.751   1.341
  135    HB2  LEU  18           1HB      LEU  18   6.875  -7.060   1.776
  136    HB3  LEU  18           2HB      LEU  18   6.150  -7.899   3.145
  137    HG   LEU  18           HG       LEU  18   8.683  -8.119   2.764
  138   HD11  LEU  18          1HD1      LEU  18   7.858  -9.473   4.426
  139   HD12  LEU  18          2HD1      LEU  18   8.466 -10.669   3.281
  140   HD13  LEU  18          3HD1      LEU  18   6.741 -10.307   3.343
  141   HD21  LEU  18          3HD2      LEU  18   7.718 -10.138   0.742
  142   HD22  LEU  18          1HD2      LEU  18   9.386  -9.845   1.237
  143   HD23  LEU  18          2HD2      LEU  18   8.500  -8.606   0.345
  144    H    ALA  19           H        ALA  19   3.913  -9.929   2.655
  145    HA   ALA  19           HA       ALA  19   1.692  -8.133   2.079
  146    HB1  ALA  19           3HB      ALA  19   1.751 -10.805   2.250
  147    HB2  ALA  19           1HB      ALA  19   1.311 -10.417   3.914
  148    HB3  ALA  19           2HB      ALA  19   0.306  -9.850   2.580
  149    H    ASN  20           H        ASN  20   3.831  -9.002   4.694
  150    HA   ASN  20           HA       ASN  20   2.272  -7.510   6.646
  151    HB2  ASN  20           1HB      ASN  20   4.763  -9.193   6.805
  152    HB3  ASN  20           2HB      ASN  20   4.262  -8.171   8.149
  153   HD21  ASN  20          2HD2      ASN  20   2.141  -8.545   9.056
  154   HD22  ASN  20          1HD2      ASN  20   1.476 -10.140   9.025
  155    H    GLN  21           H        GLN  21   4.734  -6.932   4.401
  156    HA   GLN  21           HA       GLN  21   6.043  -4.819   5.867
  157    HB2  GLN  21           1HB      GLN  21   7.275  -6.190   4.229
  158    HB3  GLN  21           2HB      GLN  21   6.240  -5.575   2.947
  159    HG2  GLN  21           1HG      GLN  21   8.150  -4.290   2.751
  160    HG3  GLN  21           2HG      GLN  21   7.065  -3.256   3.680
  161   HE21  GLN  21          2HE2      GLN  21   9.320  -5.906   4.398
  162   HE22  GLN  21          1HE2      GLN  21  10.143  -5.086   5.678
  163    H    CYS  22           H        CYS  22   3.723  -5.075   3.210
  164    HA   CYS  22           HA       CYS  22   3.550  -2.314   2.654
  165    HB2  CYS  22           1HB      CYS  22   2.279  -4.731   1.767
  166    HB3  CYS  22           2HB      CYS  22   1.049  -3.510   2.077
  167    H    ASN  23           H        ASN  23   1.162  -4.378   4.324
  168    HA   ASN  23           HA       ASN  23  -0.475  -2.371   5.277
  169    HB2  ASN  23           1HB      ASN  23  -1.479  -3.979   6.604
  170    HB3  ASN  23           2HB      ASN  23  -0.663  -4.987   5.413
  171   HD21  ASN  23          2HD2      ASN  23  -1.298  -4.717   8.577
  172   HD22  ASN  23          1HD2      ASN  23   0.064  -5.550   9.239
  173    H    TYR  24           H        TYR  24   2.599  -3.484   6.508
  174    HA   TYR  24           HA       TYR  24   2.438  -2.224   9.047
  175    HB2  TYR  24           1HB      TYR  24   4.019  -3.995   8.772
  176    HB3  TYR  24           2HB      TYR  24   4.776  -3.192   7.400
  177    HD1  TYR  24           HD1      TYR  24   3.901  -2.143  10.886
  178    HD2  TYR  24           HD2      TYR  24   6.910  -2.489   7.897
  179    HE1  TYR  24           HE1      TYR  24   5.523  -1.090  12.406
  180    HE2  TYR  24           HE2      TYR  24   8.541  -1.439   9.409
  181    HH   TYR  24           HH       TYR  24   8.525  -1.293  12.318
  182    H    ASP  25           H        ASP  25   4.039  -1.298   6.006
  183    HA   ASP  25           HA       ASP  25   4.950   1.213   6.958
  184    HB2  ASP  25           1HB      ASP  25   5.736  -0.164   4.900
  185    HB3  ASP  25           2HB      ASP  25   4.419   0.645   4.057
  186    H    CYS  26           H        CYS  26   1.958   0.107   5.579
  187    HA   CYS  26           HA       CYS  26   0.970   2.735   4.952
  188    HB2  CYS  26           1HB      CYS  26  -0.238  -0.019   4.982
  189    HB3  CYS  26           2HB      CYS  26  -1.248   1.407   4.771
  190    H    LYS  27           H        LYS  27   0.164   0.285   7.410
  191    HA   LYS  27           HA       LYS  27  -1.619   1.965   8.839
  192    HB2  LYS  27           1HB      LYS  27  -0.128  -0.503   9.753
  193    HB3  LYS  27           2HB      LYS  27  -1.463   0.252  10.614
  194    HG2  LYS  27           1HG      LYS  27  -3.031  -0.468   9.099
  195    HG3  LYS  27           2HG      LYS  27  -1.856  -0.610   7.789
  196    HD2  LYS  27           1HD      LYS  27  -2.299  -2.824   8.335
  197    HD3  LYS  27           2HD      LYS  27  -0.820  -2.485   9.236
  198    HE2  LYS  27           1HE      LYS  27  -2.537  -1.795  11.116
  199    HE3  LYS  27           2HE      LYS  27  -3.604  -2.873  10.217
  200    HZ1  LYS  27           3HZ      LYS  27  -1.910  -3.679  12.123
  201    HZ2  LYS  27           1HZ      LYS  27  -0.962  -3.927  10.744
  202    HZ3  LYS  27           2HZ      LYS  27  -2.472  -4.675  10.876
  203    H    LEU  28           H        LEU  28   1.735   1.962   8.593
  204    HA   LEU  28           HA       LEU  28   2.324   2.867  11.261
  205    HB2  LEU  28           1HB      LEU  28   4.041   1.685  10.129
  206    HB3  LEU  28           2HB      LEU  28   3.924   2.734   8.718
  207    HG   LEU  28           HG       LEU  28   4.684   4.052  11.248
  208   HD11  LEU  28          1HD1      LEU  28   6.064   2.242  11.663
  209   HD12  LEU  28          2HD1      LEU  28   7.106   3.310  10.722
  210   HD13  LEU  28          3HD1      LEU  28   6.336   1.925   9.948
  211   HD21  LEU  28          3HD2      LEU  28   4.926   4.429   8.391
  212   HD22  LEU  28          1HD2      LEU  28   6.476   4.634   9.208
  213   HD23  LEU  28          2HD2      LEU  28   5.085   5.600   9.701
  214    H    ASP  29           H        ASP  29   2.658   4.440   8.073
  215    HA   ASP  29           HA       ASP  29   2.478   7.048   9.379
  216    HB2  ASP  29           1HB      ASP  29   3.484   6.059   6.757
  217    HB3  ASP  29           2HB      ASP  29   2.867   7.708   6.820
  218    H    LYS  30           H        LYS  30   0.961   5.310   6.665
  219    HA   LYS  30           HA       LYS  30  -1.083   7.255   6.285
  220    HB2  LYS  30           1HB      LYS  30  -0.394   4.609   5.182
  221    HB3  LYS  30           2HB      LYS  30  -2.108   4.997   5.160
  222    HG2  LYS  30           1HG      LYS  30  -0.108   6.957   4.119
  223    HG3  LYS  30           2HG      LYS  30  -0.640   5.601   3.122
  224    HD2  LYS  30           1HD      LYS  30  -2.995   6.632   4.146
  225    HD3  LYS  30           2HD      LYS  30  -2.022   8.066   3.807
  226    HE2  LYS  30           1HE      LYS  30  -2.796   5.871   1.894
  227    HE3  LYS  30           2HE      LYS  30  -3.292   7.562   1.848
  228    HZ1  LYS  30           3HZ      LYS  30  -1.577   7.893   0.504
  229    HZ2  LYS  30           1HZ      LYS  30  -0.954   6.345   0.780
  230    HZ3  LYS  30           2HZ      LYS  30  -0.549   7.616   1.817
  231    H    HIS  31           H        HIS  31  -0.599   4.965   8.675
  232    HA   HIS  31           HA       HIS  31  -1.906   4.024  10.289
  233    HB2  HIS  31           1HB      HIS  31  -3.347   6.605   9.710
  234    HB3  HIS  31           2HB      HIS  31  -3.891   5.507  10.974
  235    HD1  HIS  31           HD1      HIS  31  -1.882   4.914  12.789
  236    HD2  HIS  31           HD2      HIS  31  -1.542   8.417  10.581
  237    HE1  HIS  31           HE1      HIS  31  -0.249   6.351  14.053
  238    H    ALA  32           H        ALA  32  -2.451   3.302   7.476
  239    HA   ALA  32           HA       ALA  32  -5.198   3.025   6.988
  240    HB1  ALA  32           3HB      ALA  32  -2.890   2.415   5.627
  241    HB2  ALA  32           1HB      ALA  32  -3.588   0.829   5.955
  242    HB3  ALA  32           2HB      ALA  32  -4.532   2.047   5.095
  243    H    ARG  33           H        ARG  33  -5.590   0.307   6.494
  244    HA   ARG  33           HA       ARG  33  -5.422  -0.939   9.149
  245    HB2  ARG  33           1HB      ARG  33  -7.919  -1.084   7.471
  246    HB3  ARG  33           2HB      ARG  33  -7.710  -1.549   9.154
  247    HG2  ARG  33           1HG      ARG  33  -7.549   1.275   8.125
  248    HG3  ARG  33           2HG      ARG  33  -8.977   0.546   8.864
  249    HD2  ARG  33           1HD      ARG  33  -6.430   0.382  10.371
  250    HD3  ARG  33           2HD      ARG  33  -7.195   1.966  10.253
  251    HE   ARG  33           HE       ARG  33  -9.124   0.077  11.015
  252   HH11  ARG  33          1HH1      ARG  33  -6.286   1.657  12.266
  253   HH12  ARG  33          2HH1      ARG  33  -6.799   1.558  13.918
  254   HH21  ARG  33          1HH2      ARG  33  -9.812  -0.058  13.186
  255   HH22  ARG  33          2HH2      ARG  33  -8.804   0.581  14.439
  256    H    SER  34           H        SER  34  -6.042  -1.354   5.693
  257    HA   SER  34           HA       SER  34  -4.946  -4.078   5.909
  258    HB2  SER  34           1HB      SER  34  -7.450  -4.018   5.522
  259    HB3  SER  34           2HB      SER  34  -7.112  -3.280   3.957
  260    HG   SER  34           HG       SER  34  -7.073  -5.855   4.602
  261    H    GLY  35           H        GLY  35  -3.452  -1.754   5.348
  262    HA2  GLY  35           1HA      GLY  35  -3.090  -1.077   2.692
  263    HA3  GLY  35           2HA      GLY  35  -1.805  -1.086   3.892
  264    H    GLU  36           H        GLU  36  -2.528  -2.167   0.938
  265    HA   GLU  36           HA       GLU  36  -0.614  -4.358   1.147
  266    HB2  GLU  36           1HB      GLU  36  -3.135  -5.119   1.237
  267    HB3  GLU  36           2HB      GLU  36  -3.064  -4.843  -0.498
  268    HG2  GLU  36           1HG      GLU  36  -1.463  -6.513  -0.818
  269    HG3  GLU  36           2HG      GLU  36  -1.047  -6.563   0.895
  270    H    CYS  37           H        CYS  37  -0.066  -5.185  -1.129
  271    HA   CYS  37           HA       CYS  37   0.229  -2.837  -2.870
  272    HB2  CYS  37           1HB      CYS  37   1.844  -5.375  -2.614
  273    HB3  CYS  37           2HB      CYS  37   2.075  -4.220  -3.923
  274    H    PHE  38           H        PHE  38  -0.236  -2.938  -5.060
  275    HA   PHE  38           HA       PHE  38  -1.153  -5.348  -6.307
  276    HB2  PHE  38           1HB      PHE  38  -3.087  -4.265  -4.823
  277    HB3  PHE  38           2HB      PHE  38  -3.276  -3.261  -6.256
  278    HD1  PHE  38           HD2      PHE  38  -2.638  -6.884  -5.610
  279    HD2  PHE  38           HD1      PHE  38  -4.977  -3.948  -7.618
  280    HE1  PHE  38           HE2      PHE  38  -3.952  -8.668  -6.681
  281    HE2  PHE  38           HE1      PHE  38  -6.294  -5.727  -8.691
  282    HZ   PHE  38           HZ       PHE  38  -5.782  -8.090  -8.225
  283    H    TYR  39           H        TYR  39  -1.849  -4.962  -8.567
  284    HA   TYR  39           HA       TYR  39  -0.113  -3.039  -9.800
  285    HB2  TYR  39           1HB      TYR  39  -0.813  -4.014 -11.895
  286    HB3  TYR  39           2HB      TYR  39  -0.531  -5.311 -10.738
  287    HD1  TYR  39           HD2      TYR  39  -3.109  -3.424 -12.566
  288    HD2  TYR  39           HD1      TYR  39  -2.325  -6.720  -9.992
  289    HE1  TYR  39           HE2      TYR  39  -5.370  -4.289 -12.995
  290    HE2  TYR  39           HE1      TYR  39  -4.584  -7.596 -10.417
  291    HH   TYR  39           HH       TYR  39  -6.315  -7.358 -12.360
  292    H    ASP  40           H        ASP  40  -0.690  -1.296 -11.111
  293    HA   ASP  40           HA       ASP  40  -3.349  -0.187 -10.530
  294    HB2  ASP  40           1HB      ASP  40  -2.270   1.991 -11.273
  295    HB3  ASP  40           2HB      ASP  40  -1.659   1.297  -9.774
  296    H    GLU  41           H        GLU  41  -3.797   1.593 -12.425
  297    HA   GLU  41           HA       GLU  41  -4.620   0.063 -14.641
  298    HB2  GLU  41           1HB      GLU  41  -5.473   2.082 -15.548
  299    HB3  GLU  41           2HB      GLU  41  -5.653   2.215 -13.805
  300    HG2  GLU  41           1HG      GLU  41  -3.574   3.558 -13.741
  301    HG3  GLU  41           2HG      GLU  41  -3.531   3.506 -15.501
  302    H    LYS  42           H        LYS  42  -1.658   1.628 -13.919
  303    HA   LYS  42           HA       LYS  42  -0.802   1.658 -16.712
  304    HB2  LYS  42           1HB      LYS  42   0.566   2.604 -14.188
  305    HB3  LYS  42           2HB      LYS  42   1.265   2.715 -15.797
  306    HG2  LYS  42           1HG      LYS  42  -1.341   4.000 -15.023
  307    HG3  LYS  42           2HG      LYS  42   0.221   4.818 -14.948
  308    HD2  LYS  42           1HD      LYS  42   0.399   3.995 -17.443
  309    HD3  LYS  42           2HD      LYS  42  -1.362   3.949 -17.320
  310    HE2  LYS  42           1HE      LYS  42   0.127   6.375 -16.412
  311    HE3  LYS  42           2HE      LYS  42  -0.152   6.117 -18.134
  312    HZ1  LYS  42           3HZ      LYS  42  -1.911   7.447 -17.223
  313    HZ2  LYS  42           1HZ      LYS  42  -2.228   6.301 -16.020
  314    HZ3  LYS  42           2HZ      LYS  42  -2.539   5.931 -17.640
  315    H    ARG  43           H        ARG  43  -1.287  -0.816 -15.067
  316    HA   ARG  43           HA       ARG  43  -0.338  -2.853 -14.681
  317    HB2  ARG  43           1HB      ARG  43   1.295  -1.887 -17.027
  318    HB3  ARG  43           2HB      ARG  43   1.421  -3.517 -16.379
  319    HG2  ARG  43           1HG      ARG  43  -0.076  -3.865 -18.057
  320    HG3  ARG  43           2HG      ARG  43  -1.184  -3.506 -16.730
  321    HD2  ARG  43           1HD      ARG  43  -1.604  -1.347 -17.509
  322    HD3  ARG  43           2HD      ARG  43  -0.160  -1.333 -18.522
  323    HE   ARG  43           HE       ARG  43  -1.691  -3.326 -19.571
  324   HH11  ARG  43          1HH1      ARG  43  -2.212   0.044 -18.866
  325   HH12  ARG  43          2HH1      ARG  43  -3.352   0.270 -20.152
  326   HH21  ARG  43          1HH2      ARG  43  -3.189  -3.040 -21.267
  327   HH22  ARG  43          2HH2      ARG  43  -3.907  -1.485 -21.515
  328    H    ASN  44           H        ASN  44   0.711  -0.577 -13.174
  329    HA   ASN  44           HA       ASN  44   3.471  -1.483 -12.697
  330    HB2  ASN  44           1HB      ASN  44   2.127   1.167 -12.465
  331    HB3  ASN  44           2HB      ASN  44   3.423   0.802 -11.330
  332   HD21  ASN  44          2HD2      ASN  44   5.291  -0.437 -12.640
  333   HD22  ASN  44          1HD2      ASN  44   5.859   0.462 -14.002
  334    H    LEU  45           H        LEU  45   4.056  -2.257 -10.738
  335    HA   LEU  45           HA       LEU  45   1.925  -2.818  -8.846
  336    HB2  LEU  45           1HB      LEU  45   4.790  -3.620  -8.503
  337    HB3  LEU  45           2HB      LEU  45   3.338  -4.417  -7.901
  338    HG   LEU  45           HG       LEU  45   4.077  -4.309 -10.820
  339   HD11  LEU  45          1HD1      LEU  45   4.894  -6.589 -10.563
  340   HD12  LEU  45          2HD1      LEU  45   4.618  -6.504  -8.823
  341   HD13  LEU  45          3HD1      LEU  45   5.831  -5.468  -9.575
  342   HD21  LEU  45          3HD2      LEU  45   2.486  -6.537  -9.898
  343   HD22  LEU  45          1HD2      LEU  45   2.159  -5.372 -11.182
  344   HD23  LEU  45          2HD2      LEU  45   1.717  -4.996  -9.518
  345    H    GLN  46           H        GLN  46   1.563  -1.681  -7.062
  346    HA   GLN  46           HA       GLN  46   3.763  -0.244  -5.785
  347    HB2  GLN  46           1HB      GLN  46   1.137   1.087  -6.467
  348    HB3  GLN  46           2HB      GLN  46   2.489   1.821  -5.617
  349    HG2  GLN  46           1HG      GLN  46   3.870   1.587  -7.624
  350    HG3  GLN  46           2HG      GLN  46   2.499   0.877  -8.474
  351   HE21  GLN  46          2HE2      GLN  46   4.094   3.724  -7.630
  352   HE22  GLN  46          1HE2      GLN  46   2.918   4.850  -8.209
  353    H    CYS  47           H        CYS  47   2.841   0.847  -3.688
  354    HA   CYS  47           HA       CYS  47   1.258  -1.220  -2.325
  355    HB2  CYS  47           1HB      CYS  47   3.622  -0.622  -1.543
  356    HB3  CYS  47           2HB      CYS  47   2.932   0.898  -0.984
  357    H    ILE  48           H        ILE  48  -0.825  -0.712  -2.176
  358    HA   ILE  48           HA       ILE  48  -1.600   2.097  -1.852
  359    HB   ILE  48           HB       ILE  48  -3.386  -0.264  -2.440
  360   HG12  ILE  48          1HG1      ILE  48  -3.374   1.094  -4.747
  361   HG13  ILE  48          2HG1      ILE  48  -1.750   1.493  -4.197
  362   HG21  ILE  48          1HG2      ILE  48  -4.450   1.723  -1.400
  363   HG22  ILE  48          2HG2      ILE  48  -3.898   2.687  -2.770
  364   HG23  ILE  48          3HG2      ILE  48  -5.046   1.373  -3.022
  365   HD11  ILE  48          3HD1      ILE  48  -1.007  -0.471  -4.873
  366   HD12  ILE  48          1HD1      ILE  48  -2.194  -1.307  -3.871
  367   HD13  ILE  48          2HD1      ILE  48  -2.610  -0.826  -5.517
  368    H    CYS  49           H        CYS  49  -2.557   2.852  -0.049
  369    HA   CYS  49           HA       CYS  49  -2.939   0.949   2.160
  370    HB2  CYS  49           1HB      CYS  49  -2.682   3.946   2.406
  371    HB3  CYS  49           2HB      CYS  49  -2.515   2.738   3.675
  372    H    ASP  50           H        ASP  50  -4.830   0.901   3.324
  373    HA   ASP  50           HA       ASP  50  -7.060   2.481   2.220
  374    HB2  ASP  50           1HB      ASP  50  -7.473  -0.152   3.596
  375    HB3  ASP  50           2HB      ASP  50  -8.501   0.659   2.419
  376    H    TYR  51           H        TYR  51  -7.799   3.953   3.586
  377    HA   TYR  51           HA       TYR  51  -7.626   3.402   6.476
  378    HB2  TYR  51           1HB      TYR  51  -6.180   5.276   5.624
  379    HB3  TYR  51           2HB      TYR  51  -7.652   6.128   5.170
  380    HD1  TYR  51           HD2      TYR  51  -6.479   4.272   8.204
  381    HD2  TYR  51           HD1      TYR  51  -8.187   7.831   6.617
  382    HE1  TYR  51           HE2      TYR  51  -6.634   5.203  10.475
  383    HE2  TYR  51           HE1      TYR  51  -8.345   8.773   8.884
  384    HH   TYR  51           HH       TYR  51  -7.090   7.016  11.695
  385    H    CYS  52           H        CYS  52  -9.554   2.924   7.279
  386    HA   CYS  52           HA       CYS  52 -11.880   4.484   6.369
  387    HB2  CYS  52           1HB      CYS  52 -11.650   1.943   5.663
  388    HB3  CYS  52           2HB      CYS  52 -12.247   1.668   7.296
  389    H    GLU  53           H        GLU  53 -13.353   5.094   7.925
  390    HA   GLU  53           HA       GLU  53 -12.662   4.422  10.708
  391    HB2  GLU  53           1HB      GLU  53 -11.928   6.690  10.265
  392    HB3  GLU  53           2HB      GLU  53 -13.500   7.106   9.600
  393    HG2  GLU  53           1HG      GLU  53 -13.296   8.003  11.818
  394    HG3  GLU  53           2HG      GLU  53 -14.512   6.726  11.808
  395    H    TYR  54           H        TYR  54 -14.249   3.191  11.469
  396    HA   TYR  54           HA       TYR  54 -16.317   2.433  12.036
  397    HB2  TYR  54           1HB      TYR  54 -16.447   4.964  12.671
  398    HB3  TYR  54           2HB      TYR  54 -17.513   5.078  11.273
  399    HD1  TYR  54           HD1      TYR  54 -17.088   2.715  14.149
  400    HD2  TYR  54           HD2      TYR  54 -19.747   5.073  11.810
  401    HE1  TYR  54           HE1      TYR  54 -18.973   1.952  15.534
  402    HE2  TYR  54           HE2      TYR  54 -21.639   4.317  13.187
  403    HH   TYR  54           HH       TYR  54 -22.299   2.812  14.741