*HEADER    UNKNOWN FUNCTION                        16-JAN-20   6XTI              
*TITLE     NMR SOLUTION STRUCTURE OF CLASS IV LASSO PEPTIDE FELIPEPTIN A2 FROM   
*TITLE    2 AMYCOLATOPSIS SP. YIM10                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FELIPEPTIN A2;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS SP.;                              
*SOURCE   3 ORGANISM_TAXID: 37632;                                               
*SOURCE   4 VARIANT: YIM10;                                                      
*SOURCE   5 EXPRESSION_SYSTEM: STREPTOMYCES COELICOLOR;                          
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 1902;                                       
*SOURCE   7 EXPRESSION_SYSTEM_VARIANT: M1154                                     
*KEYWDS    LASSO PEPTIDE, ANTIBACTERIAL, CLASS IV, UNKNOWN FUNCTION              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    E.MADLAND,F.L.AACHMANN,J.F.GUERRERO-GARZON,S.B.ZOTCHEV,G.COURTADE     
*REVDAT   1   25-NOV-20 6XTI    0                                                
# Restraints file 1: FelipA-upl.tbl
assign (resid 2     and name HN   ) (resid 3     and name HN   )    3.11    3.11    0.00
assign (resid 7     and name HA   ) (resid 7     and name HD2  )    3.20    3.20    0.00
assign (resid 5     and name HA   ) (resid 13    and name HN   )    3.03    3.03    0.00
assign (resid 5     and name HA   ) (resid 12    and name HA   )    2.53    2.53    0.00
assign (resid 4     and name HA1  ) (resid 5     and name HA   )    4.71    4.71    0.00
assign (resid 3     and name HN   ) (resid 13    and name HN   )    3.55    3.55    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB1  )    3.91    3.91    0.00
assign (resid 11    and name HA   ) (resid 11    and name HD1  )    4.19    4.19    0.00
assign (resid 14    and name HB2  ) (resid 14    and name HD2* )    3.56    3.56    0.00
assign (resid 11    and name HA   ) (resid 11    and name HD2  )    4.19    4.19    0.00
assign (resid 8     and name HB2  ) (resid 9     and name HN   )    4.49    4.49    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB2  )    3.66    3.66    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB2  )    3.38    3.38    0.00
assign (resid 4     and name HA2  ) (resid 5     and name HN   )    3.32    3.32    0.00
assign (resid 8     and name HN   ) (resid 8     and name HG1  )    5.40    5.40    0.00
assign (resid 14    and name HB1  ) (resid 14    and name HD2* )    3.56    3.56    0.00
assign (resid 7     and name HB1  ) (resid 14    and name HD2* )    5.25    5.25    0.00
assign (resid 15    and name HN   ) (resid 15    and name HD1* )    4.68    4.68    0.00
assign (resid 15    and name HD1* ) (resid 16    and name HD2  )    4.44    4.44    0.00
assign (resid 15    and name HG2* ) (resid 15    and name HD1* )    2.67    2.67    0.00
assign (resid 7     and name HB2  ) (resid 14    and name HD2* )    5.25    5.25    0.00
assign (resid 7     and name HB2  ) (resid 14    and name HD1* )    5.25    5.25    0.00
assign (resid 14    and name HN   ) (resid 15    and name HN   )    3.10    3.10    0.00
assign (resid 9     and name HN   ) (resid 9     and name HA   )    2.87    2.87    0.00
assign (resid 13    and name HB2  ) (resid 17    and name HA   )    4.09    4.09    0.00
assign (resid 9     and name HB2  ) (resid 10    and name HN   )    3.37    3.37    0.00
assign (resid 9     and name HN   ) (resid 9     and name HB2  )    4.11    4.11    0.00
assign (resid 16    and name HA   ) (resid 16    and name HD2  )    3.36    3.36    0.00
assign (resid 15    and name HG2* ) (resid 16    and name HD2  )    3.46    3.46    0.00
assign (resid 9     and name HB2  ) (resid 9     and name HE1  )    5.43    5.43    0.00
assign (resid 9     and name HN   ) (resid 10    and name HN   )    4.37    4.37    0.00
assign (resid 10    and name HN   ) (resid 10    and name HB1  )    3.79    3.79    0.00
assign (resid 9     and name HB1  ) (resid 10    and name HN   )    3.37    3.37    0.00
assign (resid 10    and name HN   ) (resid 11    and name HN   )    4.13    4.13    0.00
assign (resid 10    and name HN   ) (resid 10    and name HB2  )    3.79    3.79    0.00
assign (resid 8     and name HA   ) (resid 9     and name HN   )    2.71    2.71    0.00
assign (resid 9     and name HN   ) (resid 9     and name HB1  )    4.11    4.11    0.00
assign (resid 8     and name HB1  ) (resid 9     and name HN   )    4.49    4.49    0.00
assign (resid 15    and name HG2* ) (resid 15    and name HG12 )    3.46    3.46    0.00
assign (resid 15    and name HG2* ) (resid 16    and name HZ   )    3.96    3.96    0.00
assign (resid 15    and name HN   ) (resid 15    and name HG2* )    4.24    4.24    0.00
assign (resid 15    and name HA   ) (resid 15    and name HG2* )    3.91    3.91    0.00
assign (resid 14    and name HN   ) (resid 14    and name HD2* )    4.62    4.62    0.00
assign (resid 14    and name HN   ) (resid 14    and name HG   )    4.59    4.59    0.00
assign (resid 14    and name HN   ) (resid 14    and name HD1* )    4.62    4.62    0.00
assign (resid 15    and name HB   ) (resid 15    and name HD1* )    2.99    2.99    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB   )    4.10    4.10    0.00
assign (resid 12    and name HG1  ) (resid 13    and name HN   )    3.69    3.69    0.00
assign (resid 12    and name HA   ) (resid 12    and name HG1  )    3.59    3.59    0.00
assign (resid 12    and name HN   ) (resid 12    and name HG1  )    4.54    4.54    0.00
assign (resid 14    and name HB1  ) (resid 14    and name HD1* )    3.56    3.56    0.00
assign (resid 12    and name HA   ) (resid 13    and name HN   )    2.98    2.98    0.00
assign (resid 12    and name HA   ) (resid 12    and name HG2  )    3.59    3.59    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB1  )    3.38    3.38    0.00
assign (resid 13    and name HB1  ) (resid 17    and name HA   )    4.09    4.09    0.00
assign (resid 4     and name HA1  ) (resid 5     and name HN   )    3.32    3.32    0.00
assign (resid 7     and name HD2  ) (resid 8     and name HN   )    3.26    3.26    0.00
assign (resid 7     and name HB2  ) (resid 8     and name HN   )    3.80    3.80    0.00
assign (resid 8     and name HN   ) (resid 8     and name HG2  )    5.40    5.40    0.00
assign (resid 7     and name HB1  ) (resid 8     and name HN   )    3.80    3.80    0.00
assign (resid 8     and name HN   ) (resid 8     and name HA   )    2.90    2.90    0.00
assign (resid 8     and name HA   ) (resid 14    and name HD2* )    2.87    2.87    0.00
assign (resid 9     and name HB1  ) (resid 9     and name HE1  )    5.43    5.43    0.00
assign (resid 16    and name HA   ) (resid 16    and name HE2  )    4.96    4.96    0.00
assign (resid 15    and name HD1* ) (resid 16    and name HE2  )    3.26    3.26    0.00
assign (resid 16    and name HB2  ) (resid 16    and name HE2  )    5.46    5.46    0.00
assign (resid 15    and name HG2* ) (resid 16    and name HE2  )    3.43    3.43    0.00
assign (resid 4     and name HN   ) (resid 5     and name HN   )    4.39    4.39    0.00
assign (resid 3     and name HN   ) (resid 4     and name HN   )    3.72    3.72    0.00
assign (resid 16    and name HB1  ) (resid 16    and name HE2  )    5.46    5.46    0.00
assign (resid 11    and name HN   ) (resid 11    and name HB2  )    4.05    4.05    0.00
assign (resid 15    and name HG2* ) (resid 15    and name HG11 )    3.46    3.46    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB1  )    3.66    3.66    0.00
assign (resid 14    and name HA   ) (resid 14    and name HD2* )    4.11    4.11    0.00
assign (resid 14    and name HA   ) (resid 14    and name HG   )    3.55    3.55    0.00
assign (resid 11    and name HN   ) (resid 11    and name HB1  )    4.05    4.05    0.00
assign (resid 14    and name HB2  ) (resid 14    and name HD1* )    3.56    3.56    0.00
assign (resid 8     and name HA   ) (resid 14    and name HD1* )    2.87    2.87    0.00
assign (resid 14    and name HA   ) (resid 14    and name HD1* )    4.11    4.11    0.00
assign (resid 7     and name HA   ) (resid 7     and name HE2  )    4.81    4.81    0.00
assign (resid 15    and name HA   ) (resid 15    and name HD1* )    4.20    4.20    0.00
assign (resid 12    and name HG2  ) (resid 13    and name HN   )    3.69    3.69    0.00
assign (resid 5     and name HA   ) (resid 6     and name HN   )    2.73    2.73    0.00
assign (resid 5     and name HN   ) (resid 6     and name HN   )    4.48    4.48    0.00
assign (resid 6     and name HN   ) (resid 12    and name HA   )    3.55    3.55    0.00
assign (resid 11    and name HN   ) (resid 12    and name HN   )    2.79    2.79    0.00
assign (resid 12    and name HN   ) (resid 12    and name HG2  )    4.54    4.54    0.00
assign (resid 4     and name HA2  ) (resid 5     and name HA   )    4.71    4.71    0.00
assign (resid 16    and name HA   ) (resid 17    and name HN   )    3.15    3.15    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB2  )    3.91    3.91    0.00
assign (resid 1     and name HN   ) (resid 8     and name HG*  )    3.65    3.65    0.00
assign (resid 2     and name HA*  ) (resid 3     and name HN   )    2.98    2.98    0.00
assign (resid 4     and name HA*  ) (resid 5     and name HA   )    4.17    4.17    0.00
assign (resid 5     and name HN   ) (resid 5     and name HG*  )    4.28    4.28    0.00
assign (resid 5     and name HN   ) (resid 5     and name HD*  )    3.29    3.29    0.00
assign (resid 5     and name HN   ) (resid 13    and name HB*  )    3.57    3.57    0.00
assign (resid 5     and name HA   ) (resid 5     and name HG*  )    2.86    2.86    0.00
assign (resid 5     and name HB*  ) (resid 5     and name HG*  )    2.45    2.45    0.00
assign (resid 5     and name HB*  ) (resid 5     and name HD*  )    2.71    2.71    0.00
assign (resid 5     and name HG*  ) (resid 5     and name HD*  )    2.62    2.62    0.00
assign (resid 5     and name HG*  ) (resid 6     and name HN   )    3.83    3.83    0.00
assign (resid 6     and name HN   ) (resid 6     and name HA*  )    2.91    2.91    0.00
assign (resid 6     and name HA*  ) (resid 13    and name HA   )    3.20    3.20    0.00
assign (resid 6     and name HA*  ) (resid 14    and name HN   )    3.84    3.84    0.00
assign (resid 7     and name HB*  ) (resid 8     and name HN   )    3.40    3.40    0.00
assign (resid 7     and name HB*  ) (resid 14    and name HN   )    4.03    4.03    0.00
assign (resid 7     and name HB*  ) (resid 14    and name HB*  )    2.84    2.84    0.00
assign (resid 7     and name HB1  ) (resid 14    and name HD1* )    5.25    5.25    0.00
assign (resid 7     and name HD2  ) (resid 14    and name HD*  )    3.52    3.52    0.00
assign (resid 8     and name HN   ) (resid 14    and name HB*  )    3.59    3.59    0.00
assign (resid 8     and name HA   ) (resid 14    and name HB*  )    3.28    3.28    0.00
assign (resid 8     and name HA   ) (resid 14    and name HD*  )    2.52    2.52    0.00
assign (resid 8     and name HB*  ) (resid 9     and name HN   )    3.88    3.88    0.00
assign (resid 8     and name HB*  ) (resid 14    and name HA   )    3.38    3.38    0.00
assign (resid 8     and name HG*  ) (resid 14    and name HA   )    3.49    3.49    0.00
assign (resid 8     and name HG*  ) (resid 14    and name HB*  )    4.00    4.00    0.00
assign (resid 8     and name HG*  ) (resid 14    and name HD*  )    3.22    3.22    0.00
assign (resid 11    and name HN   ) (resid 11    and name HG*  )    2.78    2.78    0.00
assign (resid 11    and name HA   ) (resid 11    and name HG*  )    3.64    3.64    0.00
assign (resid 11    and name HA   ) (resid 11    and name HE*  )    5.07    5.07    0.00
assign (resid 11    and name HB*  ) (resid 11    and name HG*  )    2.40    2.40    0.00
assign (resid 11    and name HB*  ) (resid 11    and name HE*  )    3.60    3.60    0.00
assign (resid 11    and name HB*  ) (resid 11    and name HZ*  )    4.26    4.26    0.00
assign (resid 11    and name HG*  ) (resid 11    and name HD*  )    2.55    2.55    0.00
assign (resid 11    and name HG*  ) (resid 11    and name HE*  )    2.80    2.80    0.00
assign (resid 11    and name HG*  ) (resid 11    and name HZ*  )    4.14    4.14    0.00
assign (resid 11    and name HD*  ) (resid 11    and name HE*  )    2.63    2.63    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB*  )    2.97    2.97    0.00
assign (resid 12    and name HA   ) (resid 12    and name HB*  )    2.95    2.95    0.00
assign (resid 12    and name HB*  ) (resid 12    and name HG*  )    2.46    2.46    0.00
assign (resid 12    and name HB*  ) (resid 13    and name HN   )    2.74    2.74    0.00
assign (resid 13    and name HA   ) (resid 13    and name HB*  )    2.98    2.98    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB*  )    3.28    3.28    0.00
assign (resid 14    and name HA   ) (resid 14    and name HB*  )    2.74    2.74    0.00
assign (resid 15    and name HN   ) (resid 15    and name HG1* )    4.14    4.14    0.00
assign (resid 15    and name HA   ) (resid 15    and name HG1* )    3.01    3.01    0.00
assign (resid 16    and name HB*  ) (resid 16    and name HD2  )    3.25    3.25    0.00
assign (resid 1     and name HN   ) (resid 1     and name HA*  )    2.86    2.86    0.00
assign (resid 2     and name HN   ) (resid 2     and name HA*  )    2.77    2.77    0.00
assign (resid 3     and name HN   ) (resid 3     and name HA*  )    2.85    2.85    0.00
assign (resid 3     and name HA*  ) (resid 4     and name HN   )    2.78    2.78    0.00
assign (resid 4     and name HN   ) (resid 4     and name HA*  )    2.69    2.69    0.00
assign (resid 4     and name HA*  ) (resid 5     and name HN   )    2.59    2.59    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB*  )    2.85    2.85    0.00
assign (resid 5     and name HB*  ) (resid 6     and name HN   )    3.33    3.33    0.00
assign (resid 7     and name HA   ) (resid 7     and name HB*  )    2.91    2.91    0.00
assign (resid 7     and name HB*  ) (resid 7     and name HD2  )    3.23    3.23    0.00
assign (resid 9     and name HN   ) (resid 9     and name HB*  )    3.19    3.19    0.00
assign (resid 9     and name HA   ) (resid 9     and name HB*  )    2.93    2.93    0.00
assign (resid 10    and name HN   ) (resid 10    and name HB*  )    3.19    3.19    0.00
assign (resid 10    and name HA   ) (resid 10    and name HB*  )    2.64    2.64    0.00
assign (resid 11    and name HA   ) (resid 11    and name HB*  )    2.65    2.65    0.00
assign (resid 11    and name HB*  ) (resid 11    and name HD*  )    2.90    2.90    0.00
assign (resid 12    and name HA   ) (resid 12    and name HG*  )    2.84    2.84    0.00
assign (resid 12    and name HG*  ) (resid 13    and name HN   )    3.29    3.29    0.00
assign (resid 14    and name HN   ) (resid 14    and name HD*  )    4.01    4.01    0.00
assign (resid 14    and name HA   ) (resid 14    and name HD*  )    2.45    2.45    0.00
assign (resid 14    and name HB*  ) (resid 14    and name HG   )    2.74    2.74    0.00
assign (resid 15    and name HG2* ) (resid 15    and name HG1* )    2.93    2.93    0.00
assign (resid 16    and name HA   ) (resid 16    and name HB*  )    2.81    2.81    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB*  )    3.01    3.01    0.00
assign (resid 17    and name HA   ) (resid 17    and name HB*  )    2.81    2.81    0.00
assign (resid 5     and name HA   ) (resid 5     and name HB*  )    2.87    2.87    0.00
assign (resid 7     and name HB*  ) (resid 7     and name HE2  )    4.80    4.80    0.00
assign (resid 8     and name HN   ) (resid 8     and name HG*  )    4.67    4.67    0.00
assign (resid 9     and name HB*  ) (resid 9     and name HD1  )    3.40    3.40    0.00
assign (resid 9     and name HB*  ) (resid 9     and name HE1  )    4.82    4.82    0.00
assign (resid 11    and name HB1  ) (resid 11    and name HD*  )    3.71    3.71    0.00
assign (resid 12    and name HN   ) (resid 12    and name HG*  )    3.74    3.74    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB*  )    2.71    2.71    0.00
assign (resid 14    and name HB*  ) (resid 14    and name HD*  )    2.44    2.44    0.00
assign (resid 16    and name HB*  ) (resid 16    and name HE2  )    4.76    4.76    0.00
assign (resid 11    and name HB2  ) (resid 11    and name HD*  )    3.71    3.71    0.00
assign (resid 13    and name HB*  ) (resid 17    and name HA   )    2.95    2.95    0.00
assign (resid 11    and name HA   ) (resid 11    and name HD*  )    3.51    3.51    0.00
assign (resid 13    and name SG   ) (resid 17    and name CB   )    3.10    3.10    0.00
assign (resid 13    and name CB   ) (resid 17    and name SG   )    3.10    3.10    0.00
assign (resid 1     and name CA   ) (resid 8     and name CD   )    2.40    2.40    0.00
assign (resid 11    and name HN   ) (resid 11    and name HB*  )    3.46    3.46    0.00
assign (resid 1     and name N    ) (resid 8     and name CD   )    1.60    1.60    0.00
assign (resid 1     and name N    ) (resid 8     and name CG   )    2.40    2.40    0.00
assign (resid 13    and name SG   ) (resid 17    and name SG   )    2.10    2.10    0.00
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1   2.592   1.740   0.487
    2    HA2  GLY   1          1HA       GLY   1   1.967  -0.457  -0.811
    3    HA3  GLY   1          2HA       GLY   1   2.117   0.599  -2.212
    4    H    GLY   2           H        GLY   2   4.258   0.789   0.658
    5    HA2  GLY   2          1HA       GLY   2   6.447   0.025  -1.221
    6    HA3  GLY   2          2HA       GLY   2   6.550   1.373  -0.111
    7    H    GLY   3           H        GLY   3   5.276  -0.510   2.054
    8    HA2  GLY   3          1HA       GLY   3   7.906  -1.795   2.674
    9    HA3  GLY   3          2HA       GLY   3   6.828  -1.085   3.875
   10    H    GLY   4           H        GLY   4   6.411  -2.824   5.154
   11    HA2  GLY   4          1HA       GLY   4   5.830  -5.446   4.126
   12    HA3  GLY   4          2HA       GLY   4   5.559  -4.875   5.779
   13    H    ARG   5           H        ARG   5   3.463  -4.455   6.427
   14    HA   ARG   5           HA       ARG   5   1.411  -3.940   4.359
   15    HB2  ARG   5          1HB       ARG   5   1.485  -6.336   6.186
   16    HB3  ARG   5          2HB       ARG   5  -0.059  -5.553   5.868
   17    HG2  ARG   5          1HG       ARG   5  -0.160  -7.035   4.183
   18    HG3  ARG   5          2HG       ARG   5   0.748  -5.783   3.332
   19    HD2  ARG   5          1HD       ARG   5   1.842  -7.817   2.859
   20    HD3  ARG   5          2HD       ARG   5   2.866  -6.994   4.046
   21    HE   ARG   5           HE       ARG   5   1.066  -8.677   5.443
   22   HH11  ARG   5          1HH1      ARG   5   3.823  -9.027   3.256
   23   HH12  ARG   5          2HH1      ARG   5   4.261 -10.586   3.935
   24   HH21  ARG   5          1HH2      ARG   5   1.683 -10.635   6.243
   25   HH22  ARG   5          2HH2      ARG   5   3.072 -11.481   5.580
   26    H    GLY   6           H        GLY   6  -0.215  -2.607   5.055
   27    HA2  GLY   6          1HA       GLY   6  -1.103  -1.903   7.526
   28    HA3  GLY   6          2HA       GLY   6   0.491  -1.126   7.466
   29    H    TYR   7           H        TYR   7  -0.068   1.007   7.297
   30    HA   TYR   7           HA       TYR   7  -2.184   2.053   5.710
   31    HB2  TYR   7          1HB       TYR   7   0.238   3.086   7.094
   32    HB3  TYR   7          2HB       TYR   7  -0.326   4.063   5.739
   33    HD1  TYR   7           HD1      TYR   7  -1.255   2.759   9.082
   34    HD2  TYR   7           HD2      TYR   7  -2.405   5.286   5.826
   35    HE1  TYR   7           HE1      TYR   7  -3.003   3.786  10.489
   36    HE2  TYR   7           HE2      TYR   7  -4.164   6.290   7.230
   37    HH   TYR   7           HH       TYR   7  -5.161   6.350   9.270
   38    H    GLU   8           H        GLU   8  -1.921   3.506   3.862
   39    HA   GLU   8           HA       GLU   8  -1.280   4.067   1.757
   40    HB2  GLU   8          1HB       GLU   8   1.121   3.718   2.416
   41    HB3  GLU   8          2HB       GLU   8   0.997   2.057   1.861
   42    HG2  GLU   8          1HG       GLU   8   0.062   4.176  -0.067
   43    HG3  GLU   8          2HG       GLU   8   1.790   4.151   0.280
   44    H    TYR   9           H        TYR   9  -3.200   3.413   1.123
   45    HA   TYR   9           HA       TYR   9  -4.750   2.197  -0.047
   46    HB2  TYR   9          1HB       TYR   9  -2.326   1.907  -1.429
   47    HB3  TYR   9          2HB       TYR   9  -2.966   0.277  -1.358
   48    HD1  TYR   9           HD1      TYR   9  -5.364  -0.113  -2.237
   49    HD2  TYR   9           HD2      TYR   9  -3.226   3.532  -2.900
   50    HE1  TYR   9           HE1      TYR   9  -6.913   0.464  -4.062
   51    HE2  TYR   9           HE2      TYR   9  -4.774   4.099  -4.736
   52    HH   TYR   9           HH       TYR   9  -7.457   1.952  -5.688
   53    H    ASN  10           H        ASN  10  -4.318  -0.785  -0.647
   54    HA   ASN  10           HA       ASN  10  -4.504  -1.759   2.176
   55    HB2  ASN  10          1HB       ASN  10  -6.209  -3.304   1.478
   56    HB3  ASN  10          2HB       ASN  10  -6.690  -1.696   0.915
   57   HD21  ASN  10          1HD2      ASN  10  -6.308  -4.741  -1.680
   58   HD22  ASN  10          2HD2      ASN  10  -6.075  -4.939   0.048
   59    H    LYS  11           H        LYS  11  -2.193  -1.601   0.240
   60    HA   LYS  11           HA       LYS  11  -1.815  -4.496  -0.377
   61    HB2  LYS  11          1HB       LYS  11  -0.620  -1.985  -1.602
   62    HB3  LYS  11          2HB       LYS  11  -0.097  -3.618  -2.013
   63    HG2  LYS  11          1HG       LYS  11  -2.923  -2.578  -2.402
   64    HG3  LYS  11          2HG       LYS  11  -1.664  -2.589  -3.647
   65    HD2  LYS  11          1HD       LYS  11  -1.472  -5.059  -3.396
   66    HD3  LYS  11          2HD       LYS  11  -2.825  -5.022  -2.247
   67    HE2  LYS  11          1HE       LYS  11  -4.271  -4.035  -3.990
   68    HE3  LYS  11          2HE       LYS  11  -2.923  -4.092  -5.138
   69    HZ1  LYS  11          1HZ       LYS  11  -2.855  -6.509  -4.868
   70    HZ2  LYS  11          2HZ       LYS  11  -4.068  -6.477  -3.762
   71    HZ3  LYS  11          3HZ       LYS  11  -4.369  -6.072  -5.325
   72    H    GLN  12           H        GLN  12   0.375  -1.737   0.290
   73    HA   GLN  12           HA       GLN  12   1.869  -3.463   2.180
   74    HB2  GLN  12          1HB       GLN  12   2.902  -2.289  -0.405
   75    HB3  GLN  12          2HB       GLN  12   3.983  -2.497   0.973
   76    HG2  GLN  12          1HG       GLN  12   4.307  -4.600   0.396
   77    HG3  GLN  12          2HG       GLN  12   2.600  -4.950   0.683
   78   HE21  GLN  12          1HE2      GLN  12   4.063  -4.551  -3.130
   79   HE22  GLN  12          2HE2      GLN  12   5.024  -4.085  -1.739
   80    H    CYS  13           H        CYS  13   3.461  -2.233   3.434
   81    HA   CYS  13           HA       CYS  13   2.063  -0.150   4.702
   82    HB2  CYS  13          1HB       CYS  13   4.529  -1.593   5.026
   83    HB3  CYS  13          2HB       CYS  13   4.824   0.120   5.342
   84    H    LEU  14           H        LEU  14   2.726   2.000   5.247
   85    HA   LEU  14           HA       LEU  14   3.485   3.562   2.893
   86    HB2  LEU  14          1HB       LEU  14   1.603   4.119   4.436
   87    HB3  LEU  14          2HB       LEU  14   2.767   4.414   5.711
   88    HG   LEU  14           HG       LEU  14   3.599   6.385   4.584
   89   HD11  LEU  14          1HD1      LEU  14   3.332   5.704   2.218
   90   HD12  LEU  14          2HD1      LEU  14   1.562   5.836   2.394
   91   HD13  LEU  14          3HD1      LEU  14   2.587   7.277   2.556
   92   HD21  LEU  14          1HD2      LEU  14   1.620   6.520   6.047
   93   HD22  LEU  14          2HD2      LEU  14   1.559   7.734   4.754
   94   HD23  LEU  14          3HD2      LEU  14   0.561   6.267   4.638
   95    H    ILE  15           H        ILE  15   5.555   2.106   3.363
   96    HA   ILE  15           HA       ILE  15   7.807   2.158   3.504
   97    HB   ILE  15           HB       ILE  15   7.549   5.120   4.130
   98   HG12  ILE  15          1HG1      ILE  15   8.211   3.782   1.489
   99   HG13  ILE  15          2HG1      ILE  15   6.576   4.280   1.924
  100   HG21  ILE  15          1HG2      ILE  15   9.914   5.221   3.398
  101   HG22  ILE  15          2HG2      ILE  15   9.717   4.204   4.831
  102   HG23  ILE  15          3HG2      ILE  15   9.934   3.450   3.235
  103   HD11  ILE  15          1HD1      ILE  15   7.386   6.621   2.182
  104   HD12  ILE  15          2HD1      ILE  15   8.969   6.093   1.559
  105   HD13  ILE  15          3HD1      ILE  15   7.523   5.968   0.535
  106    H    PHE  16           H        PHE  16   6.609   4.252   6.170
  107    HA   PHE  16           HA       PHE  16   8.733   3.201   7.912
  108    HB2  PHE  16          1HB       PHE  16   6.577   5.293   8.342
  109    HB3  PHE  16          2HB       PHE  16   7.798   4.851   9.540
  110    HD1  PHE  16           HD1      PHE  16  10.037   5.680   9.400
  111    HD2  PHE  16           HD2      PHE  16   7.282   6.389   6.215
  112    HE1  PHE  16           HE1      PHE  16  11.634   7.253   8.375
  113    HE2  PHE  16           HE2      PHE  16   8.897   7.913   5.149
  114    HZ   PHE  16           HZ       PHE  16  11.076   8.365   6.235
  115    H    CYS  17           H        CYS  17   7.629   1.007   7.539
  116    HA   CYS  17           HA       CYS  17   5.047   0.528   8.690
  117    HB2  CYS  17          1HB       CYS  17   6.568  -0.893   6.984
  118    HB3  CYS  17          2HB       CYS  17   7.025  -1.728   8.483
  119    HC   CYS  17           HC       CYS  17   5.742   0.520  11.036
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1   2.964   0.344  -1.637
    2    HA2  GLY   1          1HA       GLY   1   4.163   2.038   0.301
    3    HA3  GLY   1          2HA       GLY   1   3.613   0.548   1.091
    4    H    GLY   2           H        GLY   2   6.151   0.706   1.340
    5    HA2  GLY   2          1HA       GLY   2   7.664  -0.016  -1.015
    6    HA3  GLY   2          2HA       GLY   2   8.260   0.101   0.636
    7    H    GLY   3           H        GLY   3   5.859  -1.980   1.163
    8    HA2  GLY   3          1HA       GLY   3   6.054  -4.349   0.015
    9    HA3  GLY   3          2HA       GLY   3   7.668  -4.288   0.716
   10    H    GLY   4           H        GLY   4   6.697  -2.847   3.143
   11    HA2  GLY   4          1HA       GLY   4   5.882  -5.202   4.661
   12    HA3  GLY   4          2HA       GLY   4   6.145  -3.561   5.290
   13    H    ARG   5           H        ARG   5   4.114  -4.113   6.541
   14    HA   ARG   5           HA       ARG   5   1.696  -3.607   4.861
   15    HB2  ARG   5          1HB       ARG   5   0.408  -4.920   6.396
   16    HB3  ARG   5          2HB       ARG   5   1.787  -5.875   5.845
   17    HG2  ARG   5          1HG       ARG   5   2.968  -5.317   7.979
   18    HG3  ARG   5          2HG       ARG   5   1.495  -4.496   8.534
   19    HD2  ARG   5          1HD       ARG   5   0.241  -6.627   8.220
   20    HD3  ARG   5          2HD       ARG   5   1.753  -7.427   7.770
   21    HE   ARG   5           HE       ARG   5   0.880  -6.624  10.446
   22   HH11  ARG   5          1HH1      ARG   5   3.659  -7.660   8.506
   23   HH12  ARG   5          2HH1      ARG   5   4.566  -8.131   9.934
   24   HH21  ARG   5          1HH2      ARG   5   2.071  -7.287  12.172
   25   HH22  ARG   5          2HH2      ARG   5   3.686  -7.941  11.954
   26    H    GLY   6           H        GLY   6  -0.019  -2.388   5.788
   27    HA2  GLY   6          1HA       GLY   6  -0.631  -1.180   7.964
   28    HA3  GLY   6          2HA       GLY   6   0.961  -0.436   7.822
   29    H    TYR   7           H        TYR   7  -2.151  -0.815   6.163
   30    HA   TYR   7           HA       TYR   7  -3.454   0.633   5.050
   31    HB2  TYR   7          1HB       TYR   7  -2.351   2.203   6.888
   32    HB3  TYR   7          2HB       TYR   7  -1.737   3.034   5.472
   33    HD1  TYR   7           HD1      TYR   7  -4.566   2.475   7.617
   34    HD2  TYR   7           HD2      TYR   7  -3.510   3.735   3.666
   35    HE1  TYR   7           HE1      TYR   7  -6.752   3.586   7.384
   36    HE2  TYR   7           HE2      TYR   7  -5.684   4.872   3.453
   37    HH   TYR   7           HH       TYR   7  -8.111   4.839   6.067
   38    H    GLU   8           H        GLU   8  -1.151   2.922   3.931
   39    HA   GLU   8           HA       GLU   8  -0.617   3.488   1.796
   40    HB2  GLU   8          1HB       GLU   8   0.837   1.296   2.384
   41    HB3  GLU   8          2HB       GLU   8  -0.061   0.633   1.026
   42    HG2  GLU   8          1HG       GLU   8   0.804   3.224   0.181
   43    HG3  GLU   8          2HG       GLU   8   2.166   2.566   1.073
   44    H    TYR   9           H        TYR   9  -0.848   1.786  -0.611
   45    HA   TYR   9           HA       TYR   9  -3.398   2.791  -1.418
   46    HB2  TYR   9          1HB       TYR   9  -1.340   2.365  -2.841
   47    HB3  TYR   9          2HB       TYR   9  -1.727   0.647  -2.773
   48    HD1  TYR   9           HD1      TYR   9  -2.857   3.941  -4.055
   49    HD2  TYR   9           HD2      TYR   9  -3.540  -0.283  -4.092
   50    HE1  TYR   9           HE1      TYR   9  -4.365   4.197  -5.991
   51    HE2  TYR   9           HE2      TYR   9  -5.047  -0.020  -6.025
   52    HH   TYR   9           HH       TYR   9  -5.730   3.162  -7.482
   53    H    ASN  10           H        ASN  10  -2.336  -0.483  -0.504
   54    HA   ASN  10           HA       ASN  10  -5.195  -1.311  -0.703
   55    HB2  ASN  10          1HB       ASN  10  -3.462  -2.153  -2.490
   56    HB3  ASN  10          2HB       ASN  10  -2.948  -3.265  -1.218
   57   HD21  ASN  10          1HD2      ASN  10  -6.597  -4.458  -1.227
   58   HD22  ASN  10          2HD2      ASN  10  -5.731  -3.441  -0.089
   59    H    LYS  11           H        LYS  11  -2.115  -2.621   0.639
   60    HA   LYS  11           HA       LYS  11  -3.159  -2.286   3.332
   61    HB2  LYS  11          1HB       LYS  11  -2.854  -4.677   3.978
   62    HB3  LYS  11          2HB       LYS  11  -4.247  -4.329   2.967
   63    HG2  LYS  11          1HG       LYS  11  -2.070  -5.034   1.234
   64    HG3  LYS  11          2HG       LYS  11  -2.171  -6.236   2.535
   65    HD2  LYS  11          1HD       LYS  11  -4.568  -6.525   2.103
   66    HD3  LYS  11          2HD       LYS  11  -4.509  -5.301   0.829
   67    HE2  LYS  11          1HE       LYS  11  -2.769  -7.773   0.740
   68    HE3  LYS  11          2HE       LYS  11  -4.430  -7.785   0.129
   69    HZ1  LYS  11          1HZ       LYS  11  -2.421  -5.782  -0.767
   70    HZ2  LYS  11          2HZ       LYS  11  -2.700  -7.186  -1.580
   71    HZ3  LYS  11          3HZ       LYS  11  -3.890  -6.074  -1.432
   72    H    GLN  12           H        GLN  12  -0.743  -1.923   1.351
   73    HA   GLN  12           HA       GLN  12   1.471  -3.189   2.752
   74    HB2  GLN  12          1HB       GLN  12   1.165  -1.270   0.447
   75    HB3  GLN  12          2HB       GLN  12   2.756  -1.556   1.163
   76    HG2  GLN  12          1HG       GLN  12   2.467  -2.973  -0.752
   77    HG3  GLN  12          2HG       GLN  12   2.565  -3.951   0.716
   78   HE21  GLN  12          1HE2      GLN  12  -0.265  -5.731  -0.229
   79   HE22  GLN  12          2HE2      GLN  12   1.383  -5.720   0.369
   80    H    CYS  13           H        CYS  13   3.441  -1.527   3.199
   81    HA   CYS  13           HA       CYS  13   2.499   0.013   5.469
   82    HB2  CYS  13          1HB       CYS  13   4.922   0.525   5.760
   83    HB3  CYS  13          2HB       CYS  13   4.548  -1.196   5.669
   84    H    LEU  14           H        LEU  14   1.739   2.011   5.447
   85    HA   LEU  14           HA       LEU  14   2.362   3.868   3.302
   86    HB2  LEU  14          1HB       LEU  14   0.221   3.795   4.582
   87    HB3  LEU  14          2HB       LEU  14   1.085   4.327   6.016
   88    HG   LEU  14           HG       LEU  14   1.588   6.481   4.933
   89   HD11  LEU  14          1HD1      LEU  14   0.406   7.116   2.861
   90   HD12  LEU  14          2HD1      LEU  14   1.577   5.818   2.564
   91   HD13  LEU  14          3HD1      LEU  14  -0.164   5.444   2.667
   92   HD21  LEU  14          1HD2      LEU  14  -0.420   6.145   6.328
   93   HD22  LEU  14          2HD2      LEU  14  -0.718   7.328   5.038
   94   HD23  LEU  14          3HD2      LEU  14  -1.346   5.672   4.883
   95    H    ILE  15           H        ILE  15   3.463   3.408   6.650
   96    HA   ILE  15           HA       ILE  15   5.404   5.644   6.222
   97    HB   ILE  15           HB       ILE  15   4.055   4.836   8.829
   98   HG12  ILE  15          1HG1      ILE  15   3.767   7.443   7.307
   99   HG13  ILE  15          2HG1      ILE  15   2.649   6.095   7.101
  100   HG21  ILE  15          1HG2      ILE  15   6.362   5.622   9.175
  101   HG22  ILE  15          2HG2      ILE  15   6.024   7.079   8.214
  102   HG23  ILE  15          3HG2      ILE  15   5.204   6.819   9.770
  103   HD11  ILE  15          1HD1      ILE  15   1.673   7.641   8.628
  104   HD12  ILE  15          2HD1      ILE  15   2.130   6.181   9.532
  105   HD13  ILE  15          3HD1      ILE  15   3.127   7.651   9.648
  106    H    PHE  16           H        PHE  16   4.877   2.602   8.108
  107    HA   PHE  16           HA       PHE  16   7.740   2.673   8.780
  108    HB2  PHE  16          1HB       PHE  16   5.442   0.983   9.772
  109    HB3  PHE  16          2HB       PHE  16   7.124   0.695  10.227
  110    HD1  PHE  16           HD1      PHE  16   8.288   2.120  11.759
  111    HD2  PHE  16           HD2      PHE  16   4.325   3.086  10.491
  112    HE1  PHE  16           HE1      PHE  16   8.168   3.875  13.486
  113    HE2  PHE  16           HE2      PHE  16   4.211   4.869  12.188
  114    HZ   PHE  16           HZ       PHE  16   6.133   5.267  13.698
  115    H    CYS  17           H        CYS  17   8.101   2.326   6.362
  116    HA   CYS  17           HA       CYS  17   7.986  -0.525   5.599
  117    HB2  CYS  17          1HB       CYS  17   9.075   1.898   4.086
  118    HB3  CYS  17          2HB       CYS  17   8.931   0.256   3.432
  119    HC   CYS  17           HC       CYS  17  10.247  -0.441   6.892
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1   3.108   2.640   0.961
    2    HA2  GLY   1          1HA       GLY   1   4.767   2.629  -1.454
    3    HA3  GLY   1          2HA       GLY   1   5.268   2.215   0.196
    4    H    GLY   2           H        GLY   2   6.427   0.504  -1.185
    5    HA2  GLY   2          1HA       GLY   2   4.586  -1.805  -1.628
    6    HA3  GLY   2          2HA       GLY   2   6.097  -1.539  -2.490
    7    H    GLY   3           H        GLY   3   6.448  -0.793   0.820
    8    HA2  GLY   3          1HA       GLY   3   7.833  -3.416   1.164
    9    HA3  GLY   3          2HA       GLY   3   8.407  -1.882   1.812
   10    H    GLY   4           H        GLY   4   6.345  -4.623   2.294
   11    HA2  GLY   4          1HA       GLY   4   5.852  -5.394   4.493
   12    HA3  GLY   4          2HA       GLY   4   5.947  -3.737   5.094
   13    H    ARG   5           H        ARG   5   3.897  -4.315   6.192
   14    HA   ARG   5           HA       ARG   5   1.576  -3.848   4.394
   15    HB2  ARG   5          1HB       ARG   5   1.809  -6.005   6.523
   16    HB3  ARG   5          2HB       ARG   5   0.291  -5.512   5.780
   17    HG2  ARG   5          1HG       ARG   5   0.607  -7.045   4.211
   18    HG3  ARG   5          2HG       ARG   5   1.965  -6.088   3.605
   19    HD2  ARG   5          1HD       ARG   5   2.784  -8.294   3.963
   20    HD3  ARG   5          2HD       ARG   5   3.444  -7.288   5.263
   21    HE   ARG   5           HE       ARG   5   1.005  -8.450   6.146
   22   HH11  ARG   5          1HH1      ARG   5   4.319  -9.445   5.417
   23   HH12  ARG   5          2HH1      ARG   5   4.234 -10.803   6.526
   24   HH21  ARG   5          1HH2      ARG   5   0.989 -10.160   7.539
   25   HH22  ARG   5          2HH2      ARG   5   2.394 -11.201   7.697
   26    H    GLY   6           H        GLY   6   0.078  -2.456   5.151
   27    HA2  GLY   6          1HA       GLY   6  -0.740  -2.185   7.781
   28    HA3  GLY   6          2HA       GLY   6   0.607  -1.066   7.624
   29    H    TYR   7           H        TYR   7  -0.041  -0.204   4.874
   30    HA   TYR   7           HA       TYR   7  -2.702   0.826   4.848
   31    HB2  TYR   7          1HB       TYR   7  -1.221   2.101   6.712
   32    HB3  TYR   7          2HB       TYR   7  -0.879   3.134   5.343
   33    HD1  TYR   7           HD1      TYR   7  -3.402   1.958   7.716
   34    HD2  TYR   7           HD2      TYR   7  -2.811   4.325   4.200
   35    HE1  TYR   7           HE1      TYR   7  -5.622   2.982   8.026
   36    HE2  TYR   7           HE2      TYR   7  -5.027   5.346   4.519
   37    HH   TYR   7           HH       TYR   7  -6.927   5.411   5.764
   38    H    GLU   8           H        GLU   8  -1.159   3.418   3.727
   39    HA   GLU   8           HA       GLU   8  -0.748   4.278   1.697
   40    HB2  GLU   8          1HB       GLU   8   1.344   2.849   1.915
   41    HB3  GLU   8          2HB       GLU   8   0.556   1.636   0.911
   42    HG2  GLU   8          1HG       GLU   8   0.160   3.494  -0.833
   43    HG3  GLU   8          2HG       GLU   8   1.180   4.539   0.147
   44    H    TYR   9           H        TYR   9  -1.278   0.972   0.600
   45    HA   TYR   9           HA       TYR   9  -2.968   2.149  -1.554
   46    HB2  TYR   9          1HB       TYR   9  -0.811   0.824  -1.962
   47    HB3  TYR   9          2HB       TYR   9  -1.690  -0.604  -1.425
   48    HD1  TYR   9           HD1      TYR   9  -3.443  -1.597  -2.845
   49    HD2  TYR   9           HD2      TYR   9  -1.335   1.909  -4.098
   50    HE1  TYR   9           HE1      TYR   9  -4.174  -1.982  -5.170
   51    HE2  TYR   9           HE2      TYR   9  -2.060   1.512  -6.422
   52    HH   TYR   9           HH       TYR   9  -4.077  -1.279  -7.334
   53    H    ASN  10           H        ASN  10  -2.797  -0.638   0.630
   54    HA   ASN  10           HA       ASN  10  -5.492  -0.625   1.436
   55    HB2  ASN  10          1HB       ASN  10  -5.733  -1.400  -1.054
   56    HB3  ASN  10          2HB       ASN  10  -5.010  -2.913  -0.502
   57   HD21  ASN  10          1HD2      ASN  10  -7.929  -3.385   1.808
   58   HD22  ASN  10          2HD2      ASN  10  -6.227  -3.072   2.088
   59    H    LYS  11           H        LYS  11  -2.797  -2.759   0.470
   60    HA   LYS  11           HA       LYS  11  -2.973  -4.086   3.145
   61    HB2  LYS  11          1HB       LYS  11  -2.244  -5.308   0.469
   62    HB3  LYS  11          2HB       LYS  11  -2.182  -6.135   2.032
   63    HG2  LYS  11          1HG       LYS  11  -4.628  -5.745   2.301
   64    HG3  LYS  11          2HG       LYS  11  -4.665  -5.031   0.676
   65    HD2  LYS  11          1HD       LYS  11  -3.733  -7.162  -0.226
   66    HD3  LYS  11          2HD       LYS  11  -3.880  -7.876   1.389
   67    HE2  LYS  11          1HE       LYS  11  -6.172  -6.732  -0.253
   68    HE3  LYS  11          2HE       LYS  11  -5.780  -8.449  -0.114
   69    HZ1  LYS  11          1HZ       LYS  11  -6.525  -6.686   2.166
   70    HZ2  LYS  11          2HZ       LYS  11  -7.509  -7.804   1.480
   71    HZ3  LYS  11          3HZ       LYS  11  -6.166  -8.283   2.291
   72    H    GLN  12           H        GLN  12  -0.912  -2.507   0.866
   73    HA   GLN  12           HA       GLN  12   1.608  -3.575   1.860
   74    HB2  GLN  12          1HB       GLN  12   0.831  -1.204   0.122
   75    HB3  GLN  12          2HB       GLN  12   2.502  -1.605   0.530
   76    HG2  GLN  12          1HG       GLN  12   2.060  -2.448  -1.633
   77    HG3  GLN  12          2HG       GLN  12   2.238  -3.814  -0.528
   78   HE21  GLN  12          1HE2      GLN  12  -0.632  -5.187  -1.977
   79   HE22  GLN  12          2HE2      GLN  12   1.082  -5.332  -1.642
   80    H    CYS  13           H        CYS  13   3.277  -1.564   2.428
   81    HA   CYS  13           HA       CYS  13   2.022  -0.261   4.807
   82    HB2  CYS  13          1HB       CYS  13   4.433  -1.720   4.484
   83    HB3  CYS  13          2HB       CYS  13   4.897  -0.040   4.737
   84    H    LEU  14           H        LEU  14   2.730   1.887   5.429
   85    HA   LEU  14           HA       LEU  14   3.028   3.552   2.999
   86    HB2  LEU  14          1HB       LEU  14   1.046   3.841   4.384
   87    HB3  LEU  14          2HB       LEU  14   2.039   4.220   5.780
   88    HG   LEU  14           HG       LEU  14   2.731   6.319   4.788
   89   HD11  LEU  14          1HD1      LEU  14   0.989   5.538   2.421
   90   HD12  LEU  14          2HD1      LEU  14   1.689   7.147   2.700
   91   HD13  LEU  14          3HD1      LEU  14   2.758   5.763   2.408
   92   HD21  LEU  14          1HD2      LEU  14   0.550   7.431   4.852
   93   HD22  LEU  14          2HD2      LEU  14  -0.271   5.873   4.610
   94   HD23  LEU  14          3HD2      LEU  14   0.651   6.175   6.103
   95    H    ILE  15           H        ILE  15   4.071   4.164   6.403
   96    HA   ILE  15           HA       ILE  15   6.740   4.925   5.327
   97    HB   ILE  15           HB       ILE  15   4.840   6.646   6.950
   98   HG12  ILE  15          1HG1      ILE  15   4.776   6.858   4.484
   99   HG13  ILE  15          2HG1      ILE  15   5.258   8.335   5.306
  100   HG21  ILE  15          1HG2      ILE  15   6.837   6.784   8.213
  101   HG22  ILE  15          2HG2      ILE  15   7.852   6.917   6.758
  102   HG23  ILE  15          3HG2      ILE  15   6.770   8.250   7.222
  103   HD11  ILE  15          1HD1      ILE  15   6.532   7.956   3.246
  104   HD12  ILE  15          2HD1      ILE  15   7.593   7.976   4.669
  105   HD13  ILE  15          3HD1      ILE  15   7.162   6.431   3.901
  106    H    PHE  16           H        PHE  16   8.325   4.138   6.507
  107    HA   PHE  16           HA       PHE  16   9.456   3.038   8.169
  108    HB2  PHE  16          1HB       PHE  16   7.670   4.602  10.052
  109    HB3  PHE  16          2HB       PHE  16   9.231   3.871  10.425
  110    HD1  PHE  16           HD1      PHE  16   8.273   6.792  10.732
  111    HD2  PHE  16           HD2      PHE  16  10.643   4.801   7.777
  112    HE1  PHE  16           HE1      PHE  16   9.325   8.934  10.130
  113    HE2  PHE  16           HE2      PHE  16  11.613   6.953   7.105
  114    HZ   PHE  16           HZ       PHE  16  10.985   9.027   8.298
  115    H    CYS  17           H        CYS  17   7.789   1.321   7.112
  116    HA   CYS  17           HA       CYS  17   5.609   0.303   8.428
  117    HB2  CYS  17          1HB       CYS  17   6.891  -0.617   6.306
  118    HB3  CYS  17          2HB       CYS  17   7.686  -1.680   7.490
  119    HC   CYS  17           HC       CYS  17   6.498  -0.240  10.652
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1   2.413   0.530  -1.926
    2    HA2  GLY   1          1HA       GLY   1   3.987   1.952  -0.080
    3    HA3  GLY   1          2HA       GLY   1   3.325   0.537   0.762
    4    H    GLY   2           H        GLY   2   5.846   0.188   0.752
    5    HA2  GLY   2          1HA       GLY   2   6.572  -1.204  -1.786
    6    HA3  GLY   2          2HA       GLY   2   7.655  -0.092  -0.973
    7    H    GLY   3           H        GLY   3   5.721  -2.723   0.583
    8    HA2  GLY   3          1HA       GLY   3   7.364  -4.824   0.465
    9    HA3  GLY   3          2HA       GLY   3   8.291  -3.801   1.554
   10    H    GLY   4           H        GLY   4   6.806  -2.884   3.446
   11    HA2  GLY   4          1HA       GLY   4   5.818  -5.312   4.781
   12    HA3  GLY   4          2HA       GLY   4   6.061  -3.714   5.512
   13    H    ARG   5           H        ARG   5   3.890  -4.302   6.488
   14    HA   ARG   5           HA       ARG   5   1.717  -3.442   4.632
   15    HB2  ARG   5          1HB       ARG   5   1.622  -5.866   5.232
   16    HB3  ARG   5          2HB       ARG   5   1.510  -5.417   6.934
   17    HG2  ARG   5          1HG       ARG   5  -0.494  -4.165   5.133
   18    HG3  ARG   5          2HG       ARG   5  -0.624  -5.918   5.326
   19    HD2  ARG   5          1HD       ARG   5  -0.285  -4.194   7.764
   20    HD3  ARG   5          2HD       ARG   5  -1.865  -4.255   6.974
   21    HE   ARG   5           HE       ARG   5  -0.533  -6.390   8.473
   22   HH11  ARG   5          1HH1      ARG   5  -3.176  -5.646   6.235
   23   HH12  ARG   5          2HH1      ARG   5  -4.056  -7.096   6.687
   24   HH21  ARG   5          1HH2      ARG   5  -1.703  -8.187   8.967
   25   HH22  ARG   5          2HH2      ARG   5  -3.238  -8.508   8.179
   26    H    GLY   6           H        GLY   6   0.379  -1.852   5.337
   27    HA2  GLY   6          1HA       GLY   6  -0.476  -1.159   7.807
   28    HA3  GLY   6          2HA       GLY   6   1.144  -0.448   7.792
   29    H    TYR   7           H        TYR   7  -2.067  -0.393   6.424
   30    HA   TYR   7           HA       TYR   7  -3.286   1.216   5.429
   31    HB2  TYR   7          1HB       TYR   7  -1.635   2.610   7.067
   32    HB3  TYR   7          2HB       TYR   7  -1.272   3.390   5.545
   33    HD1  TYR   7           HD1      TYR   7  -3.507   3.219   8.307
   34    HD2  TYR   7           HD2      TYR   7  -3.403   4.169   4.133
   35    HE1  TYR   7           HE1      TYR   7  -5.545   4.580   8.561
   36    HE2  TYR   7           HE2      TYR   7  -5.436   5.530   4.399
   37    HH   TYR   7           HH       TYR   7  -7.067   5.921   7.548
   38    H    GLU   8           H        GLU   8  -1.207   3.323   3.929
   39    HA   GLU   8           HA       GLU   8  -0.738   3.718   1.751
   40    HB2  GLU   8          1HB       GLU   8   0.618   1.417   2.378
   41    HB3  GLU   8          2HB       GLU   8  -0.334   0.844   1.015
   42    HG2  GLU   8          1HG       GLU   8   0.746   3.432   0.296
   43    HG3  GLU   8          2HG       GLU   8   2.050   2.521   1.037
   44    H    TYR   9           H        TYR   9  -1.171   2.263  -0.621
   45    HA   TYR   9           HA       TYR   9  -3.861   3.084  -1.141
   46    HB2  TYR   9          1HB       TYR   9  -1.972   2.869  -2.804
   47    HB3  TYR   9          2HB       TYR   9  -2.124   1.118  -2.689
   48    HD1  TYR   9           HD1      TYR   9  -3.891  -0.070  -3.822
   49    HD2  TYR   9           HD2      TYR   9  -3.818   4.207  -3.863
   50    HE1  TYR   9           HE1      TYR   9  -5.521  -0.058  -5.671
   51    HE2  TYR   9           HE2      TYR   9  -5.451   4.213  -5.714
   52    HH   TYR   9           HH       TYR   9  -6.713   1.196  -7.139
   53    H    ASN  10           H        ASN  10  -2.393  -0.136  -0.687
   54    HA   ASN  10           HA       ASN  10  -4.644  -1.009   0.859
   55    HB2  ASN  10          1HB       ASN  10  -5.069  -1.290  -1.866
   56    HB3  ASN  10          2HB       ASN  10  -4.396  -2.867  -1.428
   57   HD21  ASN  10          1HD2      ASN  10  -8.239  -2.142  -0.773
   58   HD22  ASN  10          2HD2      ASN  10  -7.197  -1.194  -1.817
   59    H    LYS  11           H        LYS  11  -3.788  -2.382   2.319
   60    HA   LYS  11           HA       LYS  11  -2.668  -4.134   3.233
   61    HB2  LYS  11          1HB       LYS  11  -2.291  -4.986   0.359
   62    HB3  LYS  11          2HB       LYS  11  -2.027  -6.001   1.777
   63    HG2  LYS  11          1HG       LYS  11  -4.407  -5.758   2.400
   64    HG3  LYS  11          2HG       LYS  11  -4.664  -4.757   0.955
   65    HD2  LYS  11          1HD       LYS  11  -3.918  -6.640  -0.465
   66    HD3  LYS  11          2HD       LYS  11  -3.732  -7.644   0.985
   67    HE2  LYS  11          1HE       LYS  11  -5.853  -8.181  -0.009
   68    HE3  LYS  11          2HE       LYS  11  -6.159  -7.286   1.486
   69    HZ1  LYS  11          1HZ       LYS  11  -6.442  -5.263   0.126
   70    HZ2  LYS  11          2HZ       LYS  11  -6.189  -6.114  -1.252
   71    HZ3  LYS  11          3HZ       LYS  11  -7.518  -6.413  -0.335
   72    H    GLN  12           H        GLN  12  -0.906  -1.796   1.829
   73    HA   GLN  12           HA       GLN  12   1.656  -3.213   2.434
   74    HB2  GLN  12          1HB       GLN  12   0.944  -1.352   0.179
   75    HB3  GLN  12          2HB       GLN  12   2.598  -1.434   0.791
   76    HG2  GLN  12          1HG       GLN  12   2.704  -2.927  -0.916
   77    HG3  GLN  12          2HG       GLN  12   2.404  -3.988   0.463
   78   HE21  GLN  12          1HE2      GLN  12  -0.475  -3.469  -2.438
   79   HE22  GLN  12          2HE2      GLN  12   0.868  -2.349  -2.308
   80    H    CYS  13           H        CYS  13   3.481  -1.489   2.776
   81    HA   CYS  13           HA       CYS  13   2.664  -0.025   5.146
   82    HB2  CYS  13          1HB       CYS  13   5.098   0.395   5.334
   83    HB3  CYS  13          2HB       CYS  13   4.719  -1.315   5.105
   84    H    LEU  14           H        LEU  14   2.186   2.069   5.372
   85    HA   LEU  14           HA       LEU  14   2.861   3.923   3.169
   86    HB2  LEU  14          1HB       LEU  14   0.583   3.848   4.122
   87    HB3  LEU  14          2HB       LEU  14   1.224   4.313   5.692
   88    HG   LEU  14           HG       LEU  14   1.907   6.500   4.765
   89   HD11  LEU  14          1HD1      LEU  14   0.972   7.210   2.577
   90   HD12  LEU  14          2HD1      LEU  14   2.202   5.946   2.404
   91   HD13  LEU  14          3HD1      LEU  14   0.475   5.533   2.258
   92   HD21  LEU  14          1HD2      LEU  14  -0.374   7.389   4.619
   93   HD22  LEU  14          2HD2      LEU  14  -1.010   5.756   4.320
   94   HD23  LEU  14          3HD2      LEU  14  -0.263   6.152   5.887
   95    H    ILE  15           H        ILE  15   3.320   3.735   6.725
   96    HA   ILE  15           HA       ILE  15   5.380   5.888   6.442
   97    HB   ILE  15           HB       ILE  15   3.866   5.043   8.950
   98   HG12  ILE  15          1HG1      ILE  15   3.532   7.632   7.409
   99   HG13  ILE  15          2HG1      ILE  15   2.482   6.234   7.170
  100   HG21  ILE  15          1HG2      ILE  15   6.134   5.938   9.380
  101   HG22  ILE  15          2HG2      ILE  15   5.741   7.391   8.437
  102   HG23  ILE  15          3HG2      ILE  15   4.888   7.051   9.959
  103   HD11  ILE  15          1HD1      ILE  15   1.394   7.741   8.675
  104   HD12  ILE  15          2HD1      ILE  15   1.887   6.294   9.585
  105   HD13  ILE  15          3HD1      ILE  15   2.820   7.801   9.737
  106    H    PHE  16           H        PHE  16   4.582   2.850   8.166
  107    HA   PHE  16           HA       PHE  16   7.370   2.747   9.155
  108    HB2  PHE  16          1HB       PHE  16   5.033   0.950   9.875
  109    HB3  PHE  16          2HB       PHE  16   6.548   1.152  10.760
  110    HD1  PHE  16           HD1      PHE  16   3.166   2.016  10.681
  111    HD2  PHE  16           HD2      PHE  16   6.999   3.736  11.474
  112    HE1  PHE  16           HE1      PHE  16   2.085   3.838  11.936
  113    HE2  PHE  16           HE2      PHE  16   5.918   5.582  12.695
  114    HZ   PHE  16           HZ       PHE  16   3.458   5.637  12.936
  115    H    CYS  17           H        CYS  17   8.703   1.892   7.635
  116    HA   CYS  17           HA       CYS  17   8.096  -0.796   6.603
  117    HB2  CYS  17          1HB       CYS  17   7.197   1.236   5.081
  118    HB3  CYS  17          2HB       CYS  17   8.874   1.224   4.510
  119    HC   CYS  17           HC       CYS  17  10.515  -0.990   6.163
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1   2.389  -0.030  -1.912
    2    HA2  GLY   1          1HA       GLY   1   3.757   2.220  -0.878
    3    HA3  GLY   1          2HA       GLY   1   3.641   1.003   0.401
    4    H    GLY   2           H        GLY   2   4.032  -1.382  -0.828
    5    HA2  GLY   2          1HA       GLY   2   5.655  -2.030  -2.726
    6    HA3  GLY   2          2HA       GLY   2   6.809  -1.041  -1.839
    7    H    GLY   3           H        GLY   3   7.011  -1.727   0.605
    8    HA2  GLY   3          1HA       GLY   3   7.718  -4.594   0.305
    9    HA3  GLY   3          2HA       GLY   3   8.555  -3.427   1.315
   10    H    GLY   4           H        GLY   4   7.245  -2.595   3.253
   11    HA2  GLY   4          1HA       GLY   4   6.282  -5.008   4.611
   12    HA3  GLY   4          2HA       GLY   4   6.561  -3.427   5.347
   13    H    ARG   5           H        ARG   5   4.516  -3.892   6.463
   14    HA   ARG   5           HA       ARG   5   2.180  -3.186   4.749
   15    HB2  ARG   5          1HB       ARG   5   0.784  -4.674   6.035
   16    HB3  ARG   5          2HB       ARG   5   2.158  -5.564   5.375
   17    HG2  ARG   5          1HG       ARG   5   3.278  -5.250   7.659
   18    HG3  ARG   5          2HG       ARG   5   1.684  -4.729   8.242
   19    HD2  ARG   5          1HD       ARG   5   0.725  -6.879   7.454
   20    HD3  ARG   5          2HD       ARG   5   2.335  -7.377   6.900
   21    HE   ARG   5           HE       ARG   5   2.432  -6.642   9.663
   22   HH11  ARG   5          1HH1      ARG   5   1.333  -9.286   7.585
   23   HH12  ARG   5          2HH1      ARG   5   1.473 -10.462   8.881
   24   HH21  ARG   5          1HH2      ARG   5   2.613  -8.188  11.225
   25   HH22  ARG   5          2HH2      ARG   5   2.217  -9.863  10.881
   26    H    GLY   6           H        GLY   6   0.523  -1.963   5.690
   27    HA2  GLY   6          1HA       GLY   6  -0.031  -0.918   8.032
   28    HA3  GLY   6          2HA       GLY   6   1.562  -0.178   7.816
   29    H    TYR   7           H        TYR   7  -1.712  -0.415   6.538
   30    HA   TYR   7           HA       TYR   7  -3.040   1.058   5.469
   31    HB2  TYR   7          1HB       TYR   7  -1.603   2.606   7.093
   32    HB3  TYR   7          2HB       TYR   7  -1.123   3.339   5.579
   33    HD1  TYR   7           HD1      TYR   7  -3.682   3.051   8.088
   34    HD2  TYR   7           HD2      TYR   7  -3.059   4.137   3.996
   35    HE1  TYR   7           HE1      TYR   7  -5.770   4.359   8.112
   36    HE2  TYR   7           HE2      TYR   7  -5.124   5.474   4.039
   37    HH   TYR   7           HH       TYR   7  -7.162   5.729   6.958
   38    H    GLU   8           H        GLU   8  -0.882   3.189   3.974
   39    HA   GLU   8           HA       GLU   8  -0.517   3.618   1.780
   40    HB2  GLU   8          1HB       GLU   8   0.948   1.469   2.234
   41    HB3  GLU   8          2HB       GLU   8  -0.212   0.671   1.184
   42    HG2  GLU   8          1HG       GLU   8   0.451   3.042  -0.213
   43    HG3  GLU   8          2HG       GLU   8   1.970   2.574   0.536
   44    H    TYR   9           H        TYR   9  -1.190   1.688  -0.446
   45    HA   TYR   9           HA       TYR   9  -3.812   2.898  -0.866
   46    HB2  TYR   9          1HB       TYR   9  -1.781   2.543  -2.496
   47    HB3  TYR   9          2HB       TYR   9  -2.486   0.946  -2.745
   48    HD1  TYR   9           HD1      TYR   9  -2.962   4.584  -3.191
   49    HD2  TYR   9           HD2      TYR   9  -4.630   0.719  -3.951
   50    HE1  TYR   9           HE1      TYR   9  -4.493   5.569  -4.854
   51    HE2  TYR   9           HE2      TYR   9  -6.155   1.710  -5.618
   52    HH   TYR   9           HH       TYR   9  -6.142   5.203  -6.359
   53    H    ASN  10           H        ASN  10  -2.512  -0.345  -0.355
   54    HA   ASN  10           HA       ASN  10  -5.315  -1.374  -0.281
   55    HB2  ASN  10          1HB       ASN  10  -3.943  -2.029  -2.308
   56    HB3  ASN  10          2HB       ASN  10  -2.895  -2.963  -1.239
   57   HD21  ASN  10          1HD2      ASN  10  -5.538  -5.367  -0.499
   58   HD22  ASN  10          2HD2      ASN  10  -4.344  -4.414   0.363
   59    H    LYS  11           H        LYS  11  -2.234  -2.989   0.529
   60    HA   LYS  11           HA       LYS  11  -2.751  -2.705   3.412
   61    HB2  LYS  11          1HB       LYS  11  -2.665  -5.402   2.004
   62    HB3  LYS  11          2HB       LYS  11  -2.451  -5.196   3.739
   63    HG2  LYS  11          1HG       LYS  11  -4.967  -4.421   2.244
   64    HG3  LYS  11          2HG       LYS  11  -4.711  -5.966   3.067
   65    HD2  LYS  11          1HD       LYS  11  -4.341  -4.734   5.203
   66    HD3  LYS  11          2HD       LYS  11  -4.735  -3.218   4.362
   67    HE2  LYS  11          1HE       LYS  11  -6.957  -4.117   3.786
   68    HE3  LYS  11          2HE       LYS  11  -6.569  -5.628   4.627
   69    HZ1  LYS  11          1HZ       LYS  11  -7.777  -4.117   6.101
   70    HZ2  LYS  11          2HZ       LYS  11  -6.251  -4.300   6.678
   71    HZ3  LYS  11          3HZ       LYS  11  -6.674  -2.927   5.877
   72    H    GLN  12           H        GLN  12  -0.806  -1.399   2.398
   73    HA   GLN  12           HA       GLN  12   1.661  -3.067   2.667
   74    HB2  GLN  12          1HB       GLN  12   0.903  -1.191   0.422
   75    HB3  GLN  12          2HB       GLN  12   2.580  -1.648   0.753
   76    HG2  GLN  12          1HG       GLN  12   2.098  -3.978   0.365
   77    HG3  GLN  12          2HG       GLN  12   0.372  -3.631   0.187
   78   HE21  GLN  12          1HE2      GLN  12   1.086  -3.757  -3.277
   79   HE22  GLN  12          2HE2      GLN  12   0.491  -4.673  -1.905
   80    H    CYS  13           H        CYS  13   3.609  -1.385   2.539
   81    HA   CYS  13           HA       CYS  13   3.355   0.155   4.954
   82    HB2  CYS  13          1HB       CYS  13   5.441  -0.956   4.274
   83    HB3  CYS  13          2HB       CYS  13   5.525   0.069   2.827
   84    H    LEU  14           H        LEU  14   2.469   2.146   5.196
   85    HA   LEU  14           HA       LEU  14   2.816   4.103   3.022
   86    HB2  LEU  14          1HB       LEU  14   0.715   3.910   4.364
   87    HB3  LEU  14          2HB       LEU  14   1.603   4.461   5.775
   88    HG   LEU  14           HG       LEU  14   2.013   6.634   4.660
   89   HD11  LEU  14          1HD1      LEU  14   0.181   5.545   2.488
   90   HD12  LEU  14          2HD1      LEU  14   0.716   7.231   2.653
   91   HD13  LEU  14          3HD1      LEU  14   1.904   5.964   2.299
   92   HD21  LEU  14          1HD2      LEU  14  -0.901   5.765   4.750
   93   HD22  LEU  14          2HD2      LEU  14   0.083   6.244   6.155
   94   HD23  LEU  14          3HD2      LEU  14  -0.291   7.429   4.888
   95    H    ILE  15           H        ILE  15   3.895   3.753   6.446
   96    HA   ILE  15           HA       ILE  15   6.191   5.486   5.717
   97    HB   ILE  15           HB       ILE  15   4.592   5.884   8.275
   98   HG12  ILE  15          1HG1      ILE  15   4.905   7.808   5.949
   99   HG13  ILE  15          2HG1      ILE  15   3.502   6.759   6.166
  100   HG21  ILE  15          1HG2      ILE  15   6.998   7.380   7.145
  101   HG22  ILE  15          2HG2      ILE  15   6.136   7.774   8.651
  102   HG23  ILE  15          3HG2      ILE  15   7.034   6.255   8.520
  103   HD11  ILE  15          1HD1      ILE  15   4.377   8.988   8.009
  104   HD12  ILE  15          2HD1      ILE  15   2.928   8.915   6.982
  105   HD13  ILE  15          3HD1      ILE  15   3.080   7.825   8.378
  106    H    PHE  16           H        PHE  16   4.847   3.570   8.479
  107    HA   PHE  16           HA       PHE  16   7.656   2.919   9.190
  108    HB2  PHE  16          1HB       PHE  16   5.083   2.713  10.779
  109    HB3  PHE  16          2HB       PHE  16   6.652   2.128  11.338
  110    HD1  PHE  16           HD1      PHE  16   8.409   3.649  12.022
  111    HD2  PHE  16           HD2      PHE  16   4.676   5.126  10.564
  112    HE1  PHE  16           HE1      PHE  16   8.982   5.900  12.850
  113    HE2  PHE  16           HE2      PHE  16   5.250   7.385  11.366
  114    HZ   PHE  16           HZ       PHE  16   7.401   7.777  12.529
  115    H    CYS  17           H        CYS  17   7.937   1.360   7.497
  116    HA   CYS  17           HA       CYS  17   6.009  -0.586   6.866
  117    HB2  CYS  17          1HB       CYS  17   9.020  -0.924   6.465
  118    HB3  CYS  17          2HB       CYS  17   7.714  -1.663   5.526
  119    HC   CYS  17           HC       CYS  17   7.048  -1.581   9.311
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1   1.862   0.910  -2.281
    2    HA2  GLY   1          1HA       GLY   1   3.834   2.136  -0.610
    3    HA3  GLY   1          2HA       GLY   1   3.068   0.779   0.236
    4    H    GLY   2           H        GLY   2   5.231  -0.272   0.138
    5    HA2  GLY   2          1HA       GLY   2   5.382  -2.004  -2.153
    6    HA3  GLY   2          2HA       GLY   2   6.611  -0.750  -2.240
    7    H    GLY   3           H        GLY   3   5.438  -3.522  -0.368
    8    HA2  GLY   3          1HA       GLY   3   7.306  -5.167  -0.082
    9    HA3  GLY   3          2HA       GLY   3   8.238  -3.853   0.637
   10    H    GLY   4           H        GLY   4   7.324  -2.853   2.646
   11    HA2  GLY   4          1HA       GLY   4   6.547  -4.968   4.479
   12    HA3  GLY   4          2HA       GLY   4   6.750  -3.249   4.866
   13    H    ARG   5           H        ARG   5   4.740  -4.048   6.183
   14    HA   ARG   5           HA       ARG   5   2.280  -3.760   4.504
   15    HB2  ARG   5          1HB       ARG   5   2.962  -5.442   6.895
   16    HB3  ARG   5          2HB       ARG   5   1.313  -4.849   6.731
   17    HG2  ARG   5          1HG       ARG   5   1.333  -7.007   5.792
   18    HG3  ARG   5          2HG       ARG   5   1.214  -5.872   4.444
   19    HD2  ARG   5          1HD       ARG   5   3.558  -6.177   3.905
   20    HD3  ARG   5          2HD       ARG   5   3.798  -7.184   5.350
   21    HE   ARG   5           HE       ARG   5   1.727  -8.358   3.854
   22   HH11  ARG   5          1HH1      ARG   5   5.176  -7.714   3.342
   23   HH12  ARG   5          2HH1      ARG   5   5.381  -9.188   2.414
   24   HH21  ARG   5          1HH2      ARG   5   2.053 -10.109   2.564
   25   HH22  ARG   5          2HH2      ARG   5   3.641 -10.453   1.899
   26    H    GLY   6           H        GLY   6   0.422  -2.754   5.553
   27    HA2  GLY   6          1HA       GLY   6   0.358  -1.316   7.880
   28    HA3  GLY   6          2HA       GLY   6   1.263  -0.259   6.801
   29    H    TYR   7           H        TYR   7   0.204   0.970   5.326
   30    HA   TYR   7           HA       TYR   7  -2.784   0.866   5.445
   31    HB2  TYR   7          1HB       TYR   7  -1.649   2.493   7.033
   32    HB3  TYR   7          2HB       TYR   7  -1.092   3.368   5.603
   33    HD1  TYR   7           HD1      TYR   7  -3.923   2.674   7.796
   34    HD2  TYR   7           HD2      TYR   7  -2.800   4.351   4.032
   35    HE1  TYR   7           HE1      TYR   7  -6.107   3.807   7.653
   36    HE2  TYR   7           HE2      TYR   7  -4.975   5.530   3.911
   37    HH   TYR   7           HH       TYR   7  -7.450   5.189   6.460
   38    H    GLU   8           H        GLU   8   0.103   1.917   3.689
   39    HA   GLU   8           HA       GLU   8  -0.879   3.552   1.717
   40    HB2  GLU   8          1HB       GLU   8   1.527   2.852   2.218
   41    HB3  GLU   8          2HB       GLU   8   1.241   1.393   1.289
   42    HG2  GLU   8          1HG       GLU   8   0.649   4.100   0.041
   43    HG3  GLU   8          2HG       GLU   8   2.319   3.566   0.161
   44    H    TYR   9           H        TYR   9  -2.660   3.335   0.722
   45    HA   TYR   9           HA       TYR   9  -4.206   2.694  -0.786
   46    HB2  TYR   9          1HB       TYR   9  -2.325   2.566  -2.333
   47    HB3  TYR   9          2HB       TYR   9  -2.048   0.881  -1.897
   48    HD1  TYR   9           HD1      TYR   9  -4.563   3.190  -3.424
   49    HD2  TYR   9           HD2      TYR   9  -3.249  -0.857  -2.987
   50    HE1  TYR   9           HE1      TYR   9  -6.196   2.472  -5.128
   51    HE2  TYR   9           HE2      TYR   9  -4.887  -1.570  -4.688
   52    HH   TYR   9           HH       TYR   9  -6.533  -0.939  -6.113
   53    H    ASN  10           H        ASN  10  -2.532  -0.417  -0.202
   54    HA   ASN  10           HA       ASN  10  -4.985  -1.427   1.095
   55    HB2  ASN  10          1HB       ASN  10  -5.178  -1.869  -1.384
   56    HB3  ASN  10          2HB       ASN  10  -3.763  -2.926  -1.251
   57   HD21  ASN  10          1HD2      ASN  10  -5.515  -5.464   0.598
   58   HD22  ASN  10          2HD2      ASN  10  -3.955  -4.663   0.490
   59    H    LYS  11           H        LYS  11  -3.581  -1.250   2.884
   60    HA   LYS  11           HA       LYS  11  -2.412  -2.234   4.565
   61    HB2  LYS  11          1HB       LYS  11  -2.550  -4.744   2.871
   62    HB3  LYS  11          2HB       LYS  11  -2.195  -4.671   4.592
   63    HG2  LYS  11          1HG       LYS  11  -4.840  -3.851   3.349
   64    HG3  LYS  11          2HG       LYS  11  -4.482  -5.433   4.052
   65    HD2  LYS  11          1HD       LYS  11  -3.988  -4.324   6.233
   66    HD3  LYS  11          2HD       LYS  11  -4.456  -2.772   5.517
   67    HE2  LYS  11          1HE       LYS  11  -6.339  -3.604   6.736
   68    HE3  LYS  11          2HE       LYS  11  -6.706  -3.732   5.011
   69    HZ1  LYS  11          1HZ       LYS  11  -5.755  -5.970   6.736
   70    HZ2  LYS  11          2HZ       LYS  11  -7.288  -5.788   6.179
   71    HZ3  LYS  11          3HZ       LYS  11  -6.067  -6.096   5.128
   72    H    GLN  12           H        GLN  12  -0.844  -1.183   2.132
   73    HA   GLN  12           HA       GLN  12   1.631  -2.795   2.494
   74    HB2  GLN  12          1HB       GLN  12   0.885  -0.617   0.528
   75    HB3  GLN  12          2HB       GLN  12   2.486  -1.358   0.626
   76    HG2  GLN  12          1HG       GLN  12   1.822  -3.302  -0.325
   77    HG3  GLN  12          2HG       GLN  12   0.196  -3.224   0.367
   78   HE21  GLN  12          1HE2      GLN  12  -1.234  -2.032  -2.571
   79   HE22  GLN  12          2HE2      GLN  12  -1.409  -2.842  -1.023
   80    H    CYS  13           H        CYS  13   3.698  -1.594   2.665
   81    HA   CYS  13           HA       CYS  13   3.638  -0.002   5.031
   82    HB2  CYS  13          1HB       CYS  13   5.586  -1.341   4.361
   83    HB3  CYS  13          2HB       CYS  13   5.851  -0.275   2.968
   84    H    LEU  14           H        LEU  14   3.325   2.044   5.428
   85    HA   LEU  14           HA       LEU  14   3.604   4.046   3.222
   86    HB2  LEU  14          1HB       LEU  14   1.285   3.668   4.199
   87    HB3  LEU  14          2HB       LEU  14   1.918   4.216   5.740
   88    HG   LEU  14           HG       LEU  14   2.361   6.447   4.768
   89   HD11  LEU  14          1HD1      LEU  14   1.346   7.038   2.598
   90   HD12  LEU  14          2HD1      LEU  14   2.657   5.861   2.403
   91   HD13  LEU  14          3HD1      LEU  14   0.960   5.326   2.311
   92   HD21  LEU  14          1HD2      LEU  14   0.003   7.107   4.647
   93   HD22  LEU  14          2HD2      LEU  14  -0.475   5.414   4.388
   94   HD23  LEU  14          3HD2      LEU  14   0.253   5.912   5.935
   95    H    ILE  15           H        ILE  15   5.882   3.464   4.102
   96    HA   ILE  15           HA       ILE  15   7.804   4.229   5.040
   97    HB   ILE  15           HB       ILE  15   6.221   6.310   6.599
   98   HG12  ILE  15          1HG1      ILE  15   7.815   6.763   4.059
   99   HG13  ILE  15          2HG1      ILE  15   6.070   6.494   4.052
  100   HG21  ILE  15          1HG2      ILE  15   8.412   7.393   6.873
  101   HG22  ILE  15          2HG2      ILE  15   8.433   5.756   7.542
  102   HG23  ILE  15          3HG2      ILE  15   9.189   6.076   5.966
  103   HD11  ILE  15          1HD1      ILE  15   6.463   8.850   3.960
  104   HD12  ILE  15          2HD1      ILE  15   5.791   8.461   5.560
  105   HD13  ILE  15          3HD1      ILE  15   7.530   8.790   5.380
  106    H    PHE  16           H        PHE  16   5.072   4.254   7.339
  107    HA   PHE  16           HA       PHE  16   6.856   3.215   9.452
  108    HB2  PHE  16          1HB       PHE  16   3.918   3.854   9.747
  109    HB3  PHE  16          2HB       PHE  16   5.190   3.904  10.970
  110    HD1  PHE  16           HD1      PHE  16   3.166   5.825   8.832
  111    HD2  PHE  16           HD2      PHE  16   7.124   5.692  10.446
  112    HE1  PHE  16           HE1      PHE  16   3.466   8.208   8.285
  113    HE2  PHE  16           HE2      PHE  16   7.436   8.069   9.873
  114    HZ   PHE  16           HZ       PHE  16   5.608   9.336   8.796
  115    H    CYS  17           H        CYS  17   7.033   1.204   8.023
  116    HA   CYS  17           HA       CYS  17   4.840  -0.335   7.281
  117    HB2  CYS  17          1HB       CYS  17   7.448  -1.645   8.119
  118    HB3  CYS  17          2HB       CYS  17   6.313  -2.147   6.863
  119    HC   CYS  17           HC       CYS  17   4.304  -0.700   9.834
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1   2.332   0.644  -2.135
    2    HA2  GLY   1          1HA       GLY   1   4.059   1.789  -0.174
    3    HA3  GLY   1          2HA       GLY   1   3.226   0.387   0.509
    4    H    GLY   2           H        GLY   2   6.105   0.893  -0.166
    5    HA2  GLY   2          1HA       GLY   2   6.549  -0.831  -2.494
    6    HA3  GLY   2          2HA       GLY   2   7.761   0.087  -1.614
    7    H    GLY   3           H        GLY   3   6.762  -1.236   1.009
    8    HA2  GLY   3          1HA       GLY   3   7.355  -4.029   0.694
    9    HA3  GLY   3          2HA       GLY   3   8.817  -3.137   1.110
   10    H    GLY   4           H        GLY   4   5.813  -4.447   2.250
   11    HA2  GLY   4          1HA       GLY   4   6.134  -5.058   4.731
   12    HA3  GLY   4          2HA       GLY   4   6.306  -3.308   4.961
   13    H    ARG   5           H        ARG   5   4.380  -3.453   6.368
   14    HA   ARG   5           HA       ARG   5   1.918  -3.335   4.731
   15    HB2  ARG   5          1HB       ARG   5   0.691  -4.778   6.199
   16    HB3  ARG   5          2HB       ARG   5   2.137  -5.618   5.641
   17    HG2  ARG   5          1HG       ARG   5   3.067  -4.568   7.973
   18    HG3  ARG   5          2HG       ARG   5   1.355  -4.766   8.374
   19    HD2  ARG   5          1HD       ARG   5   3.248  -6.901   7.333
   20    HD3  ARG   5          2HD       ARG   5   2.663  -6.757   8.991
   21    HE   ARG   5           HE       ARG   5   1.228  -7.812   6.663
   22   HH11  ARG   5          1HH1      ARG   5   0.872  -6.694  10.006
   23   HH12  ARG   5          2HH1      ARG   5  -0.638  -7.565  10.206
   24   HH21  ARG   5          1HH2      ARG   5  -0.679  -8.841   6.993
   25   HH22  ARG   5          2HH2      ARG   5  -1.502  -8.741   8.542
   26    H    GLY   6           H        GLY   6   0.244  -2.097   5.474
   27    HA2  GLY   6          1HA       GLY   6  -0.575  -0.924   7.620
   28    HA3  GLY   6          2HA       GLY   6   1.026  -0.178   7.616
   29    H    TYR   7           H        TYR   7  -2.110  -0.304   6.072
   30    HA   TYR   7           HA       TYR   7  -3.274   1.217   4.877
   31    HB2  TYR   7          1HB       TYR   7  -1.613   2.755   6.452
   32    HB3  TYR   7          2HB       TYR   7  -1.334   3.432   4.863
   33    HD1  TYR   7           HD1      TYR   7  -3.607   3.152   7.657
   34    HD2  TYR   7           HD2      TYR   7  -3.396   4.246   3.526
   35    HE1  TYR   7           HE1      TYR   7  -5.703   4.432   7.885
   36    HE2  TYR   7           HE2      TYR   7  -5.501   5.504   3.756
   37    HH   TYR   7           HH       TYR   7  -7.174   6.175   5.150
   38    H    GLU   8           H        GLU   8  -1.619   3.289   3.152
   39    HA   GLU   8           HA       GLU   8  -0.950   3.416   0.986
   40    HB2  GLU   8          1HB       GLU   8   1.020   2.320   2.402
   41    HB3  GLU   8          2HB       GLU   8   0.754   0.954   1.335
   42    HG2  GLU   8          1HG       GLU   8   1.024   3.757   0.173
   43    HG3  GLU   8          2HG       GLU   8   2.464   2.891   0.668
   44    H    TYR   9           H        TYR   9  -2.749   3.112  -0.089
   45    HA   TYR   9           HA       TYR   9  -3.976   2.309  -1.818
   46    HB2  TYR   9          1HB       TYR   9  -1.739   1.571  -2.706
   47    HB3  TYR   9          2HB       TYR   9  -2.065  -0.027  -2.033
   48    HD1  TYR   9           HD1      TYR   9  -3.665  -1.523  -3.073
   49    HD2  TYR   9           HD2      TYR   9  -3.087   2.426  -4.610
   50    HE1  TYR   9           HE1      TYR   9  -4.948  -2.119  -5.093
   51    HE2  TYR   9           HE2      TYR   9  -4.353   1.818  -6.639
   52    HH   TYR   9           HH       TYR   9  -5.756  -1.428  -7.098
   53    H    ASN  10           H        ASN  10  -2.927  -0.479   0.183
   54    HA   ASN  10           HA       ASN  10  -5.748  -0.904   0.880
   55    HB2  ASN  10          1HB       ASN  10  -4.802  -2.262  -1.300
   56    HB3  ASN  10          2HB       ASN  10  -4.483  -3.432  -0.014
   57   HD21  ASN  10          1HD2      ASN  10  -8.313  -2.471  -1.132
   58   HD22  ASN  10          2HD2      ASN  10  -6.966  -1.427  -1.549
   59    H    LYS  11           H        LYS  11  -2.663  -2.745   1.042
   60    HA   LYS  11           HA       LYS  11  -2.914  -2.716   4.014
   61    HB2  LYS  11          1HB       LYS  11  -2.333  -5.132   2.263
   62    HB3  LYS  11          2HB       LYS  11  -2.250  -5.116   4.023
   63    HG2  LYS  11          1HG       LYS  11  -4.774  -4.629   2.407
   64    HG3  LYS  11          2HG       LYS  11  -4.298  -6.171   3.132
   65    HD2  LYS  11          1HD       LYS  11  -4.317  -5.114   5.376
   66    HD3  LYS  11          2HD       LYS  11  -4.889  -3.602   4.641
   67    HE2  LYS  11          1HE       LYS  11  -6.879  -4.776   3.778
   68    HE3  LYS  11          2HE       LYS  11  -6.317  -6.282   4.522
   69    HZ1  LYS  11          1HZ       LYS  11  -7.893  -5.101   5.974
   70    HZ2  LYS  11          2HZ       LYS  11  -6.420  -5.175   6.698
   71    HZ3  LYS  11          3HZ       LYS  11  -6.930  -3.773   6.003
   72    H    GLN  12           H        GLN  12  -0.999  -1.935   1.455
   73    HA   GLN  12           HA       GLN  12   1.508  -3.167   2.256
   74    HB2  GLN  12          1HB       GLN  12   0.848  -0.960   0.273
   75    HB3  GLN  12          2HB       GLN  12   2.433  -1.720   0.461
   76    HG2  GLN  12          1HG       GLN  12   1.721  -2.991  -1.230
   77    HG3  GLN  12          2HG       GLN  12   0.986  -3.932   0.072
   78   HE21  GLN  12          1HE2      GLN  12  -1.303  -2.128  -2.753
   79   HE22  GLN  12          2HE2      GLN  12   0.449  -2.108  -2.787
   80    H    CYS  13           H        CYS  13   3.509  -1.697   2.466
   81    HA   CYS  13           HA       CYS  13   3.062  -0.160   4.882
   82    HB2  CYS  13          1HB       CYS  13   5.147  -1.464   4.504
   83    HB3  CYS  13          2HB       CYS  13   5.585  -0.346   3.191
   84    H    LEU  14           H        LEU  14   2.370   1.887   5.017
   85    HA   LEU  14           HA       LEU  14   3.053   3.783   2.884
   86    HB2  LEU  14          1HB       LEU  14   0.826   3.695   4.048
   87    HB3  LEU  14          2HB       LEU  14   1.619   4.262   5.508
   88    HG   LEU  14           HG       LEU  14   2.209   6.377   4.349
   89   HD11  LEU  14          1HD1      LEU  14   1.047   6.928   2.227
   90   HD12  LEU  14          2HD1      LEU  14   2.257   5.649   2.020
   91   HD13  LEU  14          3HD1      LEU  14   0.526   5.233   2.087
   92   HD21  LEU  14          1HD2      LEU  14  -0.056   7.281   4.386
   93   HD22  LEU  14          2HD2      LEU  14  -0.741   5.648   4.229
   94   HD23  LEU  14          3HD2      LEU  14   0.146   6.109   5.704
   95    H    ILE  15           H        ILE  15   3.839   3.381   6.368
   96    HA   ILE  15           HA       ILE  15   6.143   5.210   5.903
   97    HB   ILE  15           HB       ILE  15   4.252   5.384   8.276
   98   HG12  ILE  15          1HG1      ILE  15   4.851   7.497   6.186
   99   HG13  ILE  15          2HG1      ILE  15   3.476   6.398   6.078
  100   HG21  ILE  15          1HG2      ILE  15   6.587   5.780   8.946
  101   HG22  ILE  15          2HG2      ILE  15   6.782   6.956   7.628
  102   HG23  ILE  15          3HG2      ILE  15   5.678   7.293   8.980
  103   HD11  ILE  15          1HD1      ILE  15   2.693   8.458   6.971
  104   HD12  ILE  15          2HD1      ILE  15   2.657   7.249   8.273
  105   HD13  ILE  15          3HD1      ILE  15   3.951   8.472   8.225
  106    H    PHE  16           H        PHE  16   4.709   2.853   8.261
  107    HA   PHE  16           HA       PHE  16   7.320   2.939   9.639
  108    HB2  PHE  16          1HB       PHE  16   4.649   1.821  10.526
  109    HB3  PHE  16          2HB       PHE  16   6.126   1.845  11.497
  110    HD1  PHE  16           HD1      PHE  16   3.401   3.859  10.130
  111    HD2  PHE  16           HD2      PHE  16   7.023   3.946  12.387
  112    HE1  PHE  16           HE1      PHE  16   2.884   6.155  10.859
  113    HE2  PHE  16           HE2      PHE  16   6.509   6.237  13.136
  114    HZ   PHE  16           HZ       PHE  16   4.433   7.351  12.376
  115    H    CYS  17           H        CYS  17   7.867   1.579   7.469
  116    HA   CYS  17           HA       CYS  17   6.879  -1.071   7.304
  117    HB2  CYS  17          1HB       CYS  17   9.585  -0.233   6.189
  118    HB3  CYS  17          2HB       CYS  17   8.462  -1.455   5.573
  119    HC   CYS  17           HC       CYS  17   8.849  -1.141   9.414
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1   1.297  -0.245  -2.488
    2    HA2  GLY   1          1HA       GLY   1   2.759   1.067  -3.691
    3    HA3  GLY   1          2HA       GLY   1   2.349   2.457  -2.696
    4    H    GLY   2           H        GLY   2   3.581  -0.644  -1.386
    5    HA2  GLY   2          1HA       GLY   2   6.304   0.348  -1.275
    6    HA3  GLY   2          2HA       GLY   2   5.479   0.396   0.287
    7    H    GLY   3           H        GLY   3   6.830  -1.154   1.207
    8    HA2  GLY   3          1HA       GLY   3   6.900  -3.806  -0.142
    9    HA3  GLY   3          2HA       GLY   3   8.138  -3.178   0.931
   10    H    GLY   4           H        GLY   4   7.114  -2.665   3.286
   11    HA2  GLY   4          1HA       GLY   4   6.221  -5.292   4.195
   12    HA3  GLY   4          2HA       GLY   4   6.559  -3.868   5.202
   13    H    ARG   5           H        ARG   5   4.530  -4.423   6.398
   14    HA   ARG   5           HA       ARG   5   2.161  -3.444   4.862
   15    HB2  ARG   5          1HB       ARG   5   2.059  -5.836   5.586
   16    HB3  ARG   5          2HB       ARG   5   2.162  -5.302   7.265
   17    HG2  ARG   5          1HG       ARG   5   0.017  -4.097   5.565
   18    HG3  ARG   5          2HG       ARG   5  -0.163  -5.800   6.009
   19    HD2  ARG   5          1HD       ARG   5   0.350  -3.586   8.015
   20    HD3  ARG   5          2HD       ARG   5  -1.268  -4.148   7.561
   21    HE   ARG   5           HE       ARG   5   0.218  -6.418   8.306
   22   HH11  ARG   5          1HH1      ARG   5  -1.018  -3.504   9.885
   23   HH12  ARG   5          2HH1      ARG   5  -1.107  -4.298  11.448
   24   HH21  ARG   5          1HH2      ARG   5   0.026  -7.357  10.291
   25   HH22  ARG   5          2HH2      ARG   5  -0.542  -6.433  11.671
   26    H    GLY   6           H        GLY   6   1.222  -1.658   5.506
   27    HA2  GLY   6          1HA       GLY   6   1.064  -0.779   8.249
   28    HA3  GLY   6          2HA       GLY   6   2.289   0.127   7.337
   29    H    TYR   7           H        TYR   7   1.517   1.996   6.585
   30    HA   TYR   7           HA       TYR   7  -1.305   2.290   5.808
   31    HB2  TYR   7          1HB       TYR   7   0.902   4.011   6.517
   32    HB3  TYR   7          2HB       TYR   7   0.283   4.509   4.947
   33    HD1  TYR   7           HD1      TYR   7  -0.465   4.208   8.531
   34    HD2  TYR   7           HD2      TYR   7  -2.063   5.283   4.709
   35    HE1  TYR   7           HE1      TYR   7  -2.390   5.288   9.633
   36    HE2  TYR   7           HE2      TYR   7  -3.987   6.350   5.818
   37    HH   TYR   7           HH       TYR   7  -5.019   6.830   7.784
   38    H    GLU   8           H        GLU   8  -0.934   3.920   3.482
   39    HA   GLU   8           HA       GLU   8  -0.547   3.858   1.223
   40    HB2  GLU   8          1HB       GLU   8   1.677   2.690   1.725
   41    HB3  GLU   8          2HB       GLU   8   0.848   1.159   1.503
   42    HG2  GLU   8          1HG       GLU   8   0.454   3.091  -0.741
   43    HG3  GLU   8          2HG       GLU   8   2.123   2.601  -0.461
   44    H    TYR   9           H        TYR   9  -1.690   3.247  -0.465
   45    HA   TYR   9           HA       TYR   9  -3.992   2.640  -0.940
   46    HB2  TYR   9          1HB       TYR   9  -2.109   2.029  -2.490
   47    HB3  TYR   9          2HB       TYR   9  -2.161   0.396  -1.839
   48    HD1  TYR   9           HD1      TYR   9  -3.885  -1.157  -2.542
   49    HD2  TYR   9           HD2      TYR   9  -4.055   2.938  -3.774
   50    HE1  TYR   9           HE1      TYR   9  -5.588  -1.730  -4.229
   51    HE2  TYR   9           HE2      TYR   9  -5.749   2.354  -5.467
   52    HH   TYR   9           HH       TYR   9  -6.981   0.707  -6.428
   53    H    ASN  10           H        ASN  10  -2.792  -0.685  -0.483
   54    HA   ASN  10           HA       ASN  10  -4.067  -0.948   2.068
   55    HB2  ASN  10          1HB       ASN  10  -5.940  -1.183   0.197
   56    HB3  ASN  10          2HB       ASN  10  -5.258  -2.806   0.008
   57   HD21  ASN  10          1HD2      ASN  10  -7.911  -2.085   2.885
   58   HD22  ASN  10          2HD2      ASN  10  -7.606  -1.047   1.504
   59    H    LYS  11           H        LYS  11  -3.494  -2.959   3.031
   60    HA   LYS  11           HA       LYS  11  -2.355  -4.866   3.433
   61    HB2  LYS  11          1HB       LYS  11  -2.097  -5.134   0.436
   62    HB3  LYS  11          2HB       LYS  11  -1.806  -6.395   1.635
   63    HG2  LYS  11          1HG       LYS  11  -4.176  -6.272   2.338
   64    HG3  LYS  11          2HG       LYS  11  -4.462  -5.017   1.112
   65    HD2  LYS  11          1HD       LYS  11  -3.686  -6.623  -0.634
   66    HD3  LYS  11          2HD       LYS  11  -3.601  -7.880   0.619
   67    HE2  LYS  11          1HE       LYS  11  -5.998  -7.575   1.098
   68    HE3  LYS  11          2HE       LYS  11  -6.091  -6.295  -0.122
   69    HZ1  LYS  11          1HZ       LYS  11  -6.789  -8.439  -1.054
   70    HZ2  LYS  11          2HZ       LYS  11  -5.412  -7.945  -1.800
   71    HZ3  LYS  11          3HZ       LYS  11  -5.350  -9.130  -0.666
   72    H    GLN  12           H        GLN  12  -0.709  -2.595   1.340
   73    HA   GLN  12           HA       GLN  12   1.910  -3.725   2.184
   74    HB2  GLN  12          1HB       GLN  12   1.046  -1.840  -0.009
   75    HB3  GLN  12          2HB       GLN  12   2.733  -1.904   0.506
   76    HG2  GLN  12          1HG       GLN  12   2.867  -3.416  -1.141
   77    HG3  GLN  12          2HG       GLN  12   2.405  -4.509   0.166
   78   HE21  GLN  12          1HE2      GLN  12  -0.136  -3.751  -2.964
   79   HE22  GLN  12          2HE2      GLN  12   1.377  -2.881  -2.773
   80    H    CYS  13           H        CYS  13   3.355  -1.266   1.981
   81    HA   CYS  13           HA       CYS  13   2.425   0.138   4.449
   82    HB2  CYS  13          1HB       CYS  13   4.158  -1.549   4.937
   83    HB3  CYS  13          2HB       CYS  13   5.209  -0.834   3.710
   84    H    LEU  14           H        LEU  14   2.937   2.324   4.640
   85    HA   LEU  14           HA       LEU  14   4.097   3.578   2.205
   86    HB2  LEU  14          1HB       LEU  14   1.832   4.295   3.113
   87    HB3  LEU  14          2HB       LEU  14   2.679   4.932   4.514
   88    HG   LEU  14           HG       LEU  14   3.923   6.486   2.985
   89   HD11  LEU  14          1HD1      LEU  14   1.949   5.404   0.933
   90   HD12  LEU  14          2HD1      LEU  14   2.933   6.873   0.731
   91   HD13  LEU  14          3HD1      LEU  14   3.725   5.292   0.865
   92   HD21  LEU  14          1HD2      LEU  14   1.984   7.977   2.685
   93   HD22  LEU  14          2HD2      LEU  14   0.881   6.602   2.930
   94   HD23  LEU  14          3HD2      LEU  14   1.928   7.159   4.259
   95    H    ILE  15           H        ILE  15   4.303   3.825   5.791
   96    HA   ILE  15           HA       ILE  15   7.181   4.467   5.469
   97    HB   ILE  15           HB       ILE  15   5.311   6.082   7.252
   98   HG12  ILE  15          1HG1      ILE  15   6.940   7.075   4.895
   99   HG13  ILE  15          2HG1      ILE  15   5.248   6.597   4.753
  100   HG21  ILE  15          1HG2      ILE  15   7.332   7.398   7.787
  101   HG22  ILE  15          2HG2      ILE  15   7.545   5.703   8.249
  102   HG23  ILE  15          3HG2      ILE  15   8.311   6.318   6.768
  103   HD11  ILE  15          1HD1      ILE  15   5.335   8.969   4.963
  104   HD12  ILE  15          2HD1      ILE  15   4.640   8.301   6.456
  105   HD13  ILE  15          3HD1      ILE  15   6.328   8.868   6.432
  106    H    PHE  16           H        PHE  16   4.596   4.003   7.953
  107    HA   PHE  16           HA       PHE  16   6.610   2.627   9.633
  108    HB2  PHE  16          1HB       PHE  16   3.814   3.631  10.241
  109    HB3  PHE  16          2HB       PHE  16   4.831   2.747  11.383
  110    HD1  PHE  16           HD1      PHE  16   6.709   3.792  12.476
  111    HD2  PHE  16           HD2      PHE  16   4.455   5.910   9.531
  112    HE1  PHE  16           HE1      PHE  16   7.837   5.885  13.126
  113    HE2  PHE  16           HE2      PHE  16   5.604   8.000  10.147
  114    HZ   PHE  16           HZ       PHE  16   7.289   7.999  11.961
  115    H    CYS  17           H        CYS  17   6.820   0.503   9.170
  116    HA   CYS  17           HA       CYS  17   4.464  -0.891   8.064
  117    HB2  CYS  17          1HB       CYS  17   7.329  -1.909   8.125
  118    HB3  CYS  17          2HB       CYS  17   5.983  -2.489   7.127
  119    HC   CYS  17           HC       CYS  17   4.199  -1.953  10.281
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1   2.564   0.729  -1.919
    2    HA2  GLY   1          1HA       GLY   1   3.943   2.006   0.218
    3    HA3  GLY   1          2HA       GLY   1   3.100   0.572   0.832
    4    H    GLY   2           H        GLY   2   5.996   1.122   0.591
    5    HA2  GLY   2          1HA       GLY   2   6.777  -0.834  -1.502
    6    HA3  GLY   2          2HA       GLY   2   7.836   0.334  -0.720
    7    H    GLY   3           H        GLY   3   6.125  -0.916   1.791
    8    HA2  GLY   3          1HA       GLY   3   8.186  -3.042   2.220
    9    HA3  GLY   3          2HA       GLY   3   7.480  -2.051   3.504
   10    H    GLY   4           H        GLY   4   6.699  -3.768   4.713
   11    HA2  GLY   4          1HA       GLY   4   5.265  -5.951   3.556
   12    HA3  GLY   4          2HA       GLY   4   5.340  -5.544   5.270
   13    H    ARG   5           H        ARG   5   3.614  -4.455   6.236
   14    HA   ARG   5           HA       ARG   5   1.335  -3.770   4.453
   15    HB2  ARG   5          1HB       ARG   5   1.354  -5.781   6.703
   16    HB3  ARG   5          2HB       ARG   5  -0.097  -4.847   6.358
   17    HG2  ARG   5          1HG       ARG   5  -0.576  -6.608   5.042
   18    HG3  ARG   5          2HG       ARG   5   0.356  -5.672   3.871
   19    HD2  ARG   5          1HD       ARG   5   1.143  -7.893   3.712
   20    HD3  ARG   5          2HD       ARG   5   2.396  -7.008   4.596
   21    HE   ARG   5           HE       ARG   5   0.607  -8.121   6.487
   22   HH11  ARG   5          1HH1      ARG   5   2.977  -9.287   4.134
   23   HH12  ARG   5          2HH1      ARG   5   3.314 -10.728   5.076
   24   HH21  ARG   5          1HH2      ARG   5   1.074  -9.967   7.600
   25   HH22  ARG   5          2HH2      ARG   5   2.260 -11.107   6.991
   26    H    GLY   6           H        GLY   6  -0.220  -2.381   5.291
   27    HA2  GLY   6          1HA       GLY   6  -0.704  -1.212   7.600
   28    HA3  GLY   6          2HA       GLY   6   0.915  -0.566   7.338
   29    H    TYR   7           H        TYR   7  -2.222  -0.881   5.644
   30    HA   TYR   7           HA       TYR   7  -3.669   0.740   5.055
   31    HB2  TYR   7          1HB       TYR   7  -2.466   1.935   7.009
   32    HB3  TYR   7          2HB       TYR   7  -1.734   2.919   5.739
   33    HD1  TYR   7           HD1      TYR   7  -4.787   2.234   7.631
   34    HD2  TYR   7           HD2      TYR   7  -3.190   4.267   4.234
   35    HE1  TYR   7           HE1      TYR   7  -6.825   3.617   7.505
   36    HE2  TYR   7           HE2      TYR   7  -5.222   5.683   4.125
   37    HH   TYR   7           HH       TYR   7  -7.272   6.121   5.008
   38    H    GLU   8           H        GLU   8  -0.477   1.032   3.629
   39    HA   GLU   8           HA       GLU   8  -1.057   3.125   1.803
   40    HB2  GLU   8          1HB       GLU   8   1.232   2.165   2.435
   41    HB3  GLU   8          2HB       GLU   8   0.914   0.849   1.315
   42    HG2  GLU   8          1HG       GLU   8   0.463   3.587   0.191
   43    HG3  GLU   8          2HG       GLU   8   2.126   3.264   0.652
   44    H    TYR   9           H        TYR   9  -2.947   2.965   0.870
   45    HA   TYR   9           HA       TYR   9  -4.090   2.923  -1.069
   46    HB2  TYR   9          1HB       TYR   9  -1.655   2.834  -1.961
   47    HB3  TYR   9          2HB       TYR   9  -2.041   1.165  -2.391
   48    HD1  TYR   9           HD1      TYR   9  -3.691   0.696  -4.169
   49    HD2  TYR   9           HD2      TYR   9  -2.749   4.721  -3.069
   50    HE1  TYR   9           HE1      TYR   9  -4.776   1.516  -6.227
   51    HE2  TYR   9           HE2      TYR   9  -3.843   5.536  -5.125
   52    HH   TYR   9           HH       TYR   9  -5.344   3.324  -7.480
   53    H    ASN  10           H        ASN  10  -2.746  -0.289  -0.414
   54    HA   ASN  10           HA       ASN  10  -5.505  -1.397  -0.769
   55    HB2  ASN  10          1HB       ASN  10  -4.201  -2.050  -2.726
   56    HB3  ASN  10          2HB       ASN  10  -2.872  -2.611  -1.705
   57   HD21  ASN  10          1HD2      ASN  10  -4.139  -5.843  -1.766
   58   HD22  ASN  10          2HD2      ASN  10  -2.763  -4.754  -1.788
   59    H    LYS  11           H        LYS  11  -2.397  -2.886   0.214
   60    HA   LYS  11           HA       LYS  11  -3.391  -2.927   3.024
   61    HB2  LYS  11          1HB       LYS  11  -2.178  -5.253   1.492
   62    HB3  LYS  11          2HB       LYS  11  -2.513  -5.254   3.220
   63    HG2  LYS  11          1HG       LYS  11  -4.601  -4.989   1.032
   64    HG3  LYS  11          2HG       LYS  11  -4.190  -6.484   1.871
   65    HD2  LYS  11          1HD       LYS  11  -5.303  -4.002   3.224
   66    HD3  LYS  11          2HD       LYS  11  -6.260  -5.391   2.705
   67    HE2  LYS  11          1HE       LYS  11  -4.942  -6.862   4.198
   68    HE3  LYS  11          2HE       LYS  11  -4.007  -5.457   4.743
   69    HZ1  LYS  11          1HZ       LYS  11  -5.883  -5.913   6.249
   70    HZ2  LYS  11          2HZ       LYS  11  -6.094  -4.453   5.522
   71    HZ3  LYS  11          3HZ       LYS  11  -6.958  -5.752   5.019
   72    H    GLN  12           H        GLN  12  -0.951  -1.887   1.049
   73    HA   GLN  12           HA       GLN  12   1.283  -3.317   2.230
   74    HB2  GLN  12          1HB       GLN  12   1.100  -1.061   0.216
   75    HB3  GLN  12          2HB       GLN  12   2.623  -1.785   0.744
   76    HG2  GLN  12          1HG       GLN  12   2.248  -2.959  -1.163
   77    HG3  GLN  12          2HG       GLN  12   1.523  -4.038   0.033
   78   HE21  GLN  12          1HE2      GLN  12  -0.810  -2.083  -2.746
   79   HE22  GLN  12          2HE2      GLN  12   0.848  -1.601  -2.460
   80    H    CYS  13           H        CYS  13   3.306  -2.049   2.845
   81    HA   CYS  13           HA       CYS  13   2.670  -0.563   5.246
   82    HB2  CYS  13          1HB       CYS  13   4.631  -2.010   5.120
   83    HB3  CYS  13          2HB       CYS  13   5.274  -1.054   3.773
   84    H    LEU  14           H        LEU  14   2.296   1.520   5.525
   85    HA   LEU  14           HA       LEU  14   2.978   3.412   3.365
   86    HB2  LEU  14          1HB       LEU  14   0.696   3.261   4.357
   87    HB3  LEU  14          2HB       LEU  14   1.360   3.758   5.902
   88    HG   LEU  14           HG       LEU  14   1.973   5.954   4.921
   89   HD11  LEU  14          1HD1      LEU  14   0.450   4.925   2.496
   90   HD12  LEU  14          2HD1      LEU  14   0.942   6.612   2.766
   91   HD13  LEU  14          3HD1      LEU  14   2.176   5.357   2.554
   92   HD21  LEU  14          1HD2      LEU  14  -0.936   5.121   4.611
   93   HD22  LEU  14          2HD2      LEU  14  -0.139   5.579   6.136
   94   HD23  LEU  14          3HD2      LEU  14  -0.340   6.780   4.845
   95    H    ILE  15           H        ILE  15   3.766   2.880   6.818
   96    HA   ILE  15           HA       ILE  15   5.649   5.174   6.614
   97    HB   ILE  15           HB       ILE  15   4.308   4.759   9.248
   98   HG12  ILE  15          1HG1      ILE  15   2.940   6.306   7.022
   99   HG13  ILE  15          2HG1      ILE  15   2.389   4.750   7.660
  100   HG21  ILE  15          1HG2      ILE  15   5.082   7.270   7.701
  101   HG22  ILE  15          2HG2      ILE  15   4.696   7.156   9.433
  102   HG23  ILE  15          3HG2      ILE  15   6.167   6.401   8.808
  103   HD11  ILE  15          1HD1      ILE  15   2.153   5.813   9.912
  104   HD12  ILE  15          2HD1      ILE  15   2.463   7.383   9.131
  105   HD13  ILE  15          3HD1      ILE  15   1.049   6.420   8.655
  106    H    PHE  16           H        PHE  16   7.518   5.030   7.747
  107    HA   PHE  16           HA       PHE  16   9.299   4.105   8.763
  108    HB2  PHE  16          1HB       PHE  16   7.262   2.573  10.389
  109    HB3  PHE  16          2HB       PHE  16   8.992   2.652  10.722
  110    HD1  PHE  16           HD1      PHE  16  10.051   4.722  11.502
  111    HD2  PHE  16           HD2      PHE  16   5.839   4.464  10.863
  112    HE1  PHE  16           HE1      PHE  16   9.739   6.824  12.752
  113    HE2  PHE  16           HE2      PHE  16   5.520   6.595  12.056
  114    HZ   PHE  16           HZ       PHE  16   7.471   7.777  13.024
  115    H    CYS  17           H        CYS  17   8.111   2.778   6.358
  116    HA   CYS  17           HA       CYS  17   8.280  -0.035   6.584
  117    HB2  CYS  17          1HB       CYS  17   8.879   1.654   4.110
  118    HB3  CYS  17          2HB       CYS  17   8.390  -0.049   4.137
  119    HC   CYS  17           HC       CYS  17  10.887   0.445   7.026
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1   3.489   1.937  -0.306
    2    HA2  GLY   1          1HA       GLY   1   3.081  -0.537  -1.851
    3    HA3  GLY   1          2HA       GLY   1   3.658   0.851  -2.762
    4    H    GLY   2           H        GLY   2   4.719   0.438   0.573
    5    HA2  GLY   2          1HA       GLY   2   7.455   0.204  -0.440
    6    HA3  GLY   2          2HA       GLY   2   6.961   0.482   1.225
    7    H    GLY   3           H        GLY   3   5.544  -2.223  -0.499
    8    HA2  GLY   3          1HA       GLY   3   6.102  -4.464  -0.524
    9    HA3  GLY   3          2HA       GLY   3   7.629  -4.096   0.277
   10    H    GLY   4           H        GLY   4   6.874  -2.979   2.638
   11    HA2  GLY   4          1HA       GLY   4   6.004  -5.317   4.116
   12    HA3  GLY   4          2HA       GLY   4   6.409  -3.726   4.783
   13    H    ARG   5           H        ARG   5   4.596  -3.745   6.211
   14    HA   ARG   5           HA       ARG   5   2.003  -3.271   4.809
   15    HB2  ARG   5          1HB       ARG   5   2.568  -4.999   7.226
   16    HB3  ARG   5          2HB       ARG   5   0.994  -4.244   6.982
   17    HG2  ARG   5          1HG       ARG   5   0.571  -6.237   5.994
   18    HG3  ARG   5          2HG       ARG   5   1.150  -5.338   4.590
   19    HD2  ARG   5          1HD       ARG   5   2.220  -7.421   4.467
   20    HD3  ARG   5          2HD       ARG   5   3.462  -6.328   5.093
   21    HE   ARG   5           HE       ARG   5   2.143  -7.464   7.311
   22   HH11  ARG   5          1HH1      ARG   5   4.190  -8.601   4.659
   23   HH12  ARG   5          2HH1      ARG   5   4.794  -9.950   5.605
   24   HH21  ARG   5          1HH2      ARG   5   2.955  -9.181   8.433
   25   HH22  ARG   5          2HH2      ARG   5   4.107 -10.276   7.688
   26    H    GLY   6           H        GLY   6   0.543  -1.870   5.792
   27    HA2  GLY   6          1HA       GLY   6   0.313  -0.495   7.979
   28    HA3  GLY   6          2HA       GLY   6   1.899   0.133   7.524
   29    H    TYR   7           H        TYR   7  -1.492  -0.091   6.554
   30    HA   TYR   7           HA       TYR   7  -2.865   1.358   5.507
   31    HB2  TYR   7          1HB       TYR   7  -1.164   2.974   6.846
   32    HB3  TYR   7          2HB       TYR   7  -0.922   3.591   5.229
   33    HD1  TYR   7           HD1      TYR   7  -2.985   3.642   8.135
   34    HD2  TYR   7           HD2      TYR   7  -3.155   4.184   3.891
   35    HE1  TYR   7           HE1      TYR   7  -5.077   4.927   8.374
   36    HE2  TYR   7           HE2      TYR   7  -5.245   5.448   4.138
   37    HH   TYR   7           HH       TYR   7  -6.811   6.271   5.563
   38    H    GLU   8           H        GLU   8  -1.174   3.414   3.604
   39    HA   GLU   8           HA       GLU   8  -0.808   3.570   1.379
   40    HB2  GLU   8          1HB       GLU   8   0.849   1.588   2.225
   41    HB3  GLU   8          2HB       GLU   8  -0.082   0.681   1.042
   42    HG2  GLU   8          1HG       GLU   8   0.455   3.036  -0.353
   43    HG3  GLU   8          2HG       GLU   8   1.892   2.905   0.662
   44    H    TYR   9           H        TYR   9  -1.052   1.449  -0.629
   45    HA   TYR   9           HA       TYR   9  -3.625   2.326  -1.473
   46    HB2  TYR   9          1HB       TYR   9  -1.540   1.614  -2.823
   47    HB3  TYR   9          2HB       TYR   9  -2.116  -0.040  -2.613
   48    HD1  TYR   9           HD1      TYR   9  -2.607   3.128  -4.374
   49    HD2  TYR   9           HD2      TYR   9  -4.322  -0.720  -3.633
   50    HE1  TYR   9           HE1      TYR   9  -4.053   3.385  -6.355
   51    HE2  TYR   9           HE2      TYR   9  -5.744  -0.469  -5.628
   52    HH   TYR   9           HH       TYR   9  -6.362   0.859  -7.360
   53    H    ASN  10           H        ASN  10  -2.549  -0.781  -0.161
   54    HA   ASN  10           HA       ASN  10  -5.420  -1.637  -0.048
   55    HB2  ASN  10          1HB       ASN  10  -2.927  -3.270  -0.683
   56    HB3  ASN  10          2HB       ASN  10  -4.471  -3.997  -0.198
   57   HD21  ASN  10          1HD2      ASN  10  -3.869  -3.226  -4.021
   58   HD22  ASN  10          2HD2      ASN  10  -2.608  -3.335  -2.807
   59    H    LYS  11           H        LYS  11  -2.355  -2.929   1.230
   60    HA   LYS  11           HA       LYS  11  -2.917  -1.859   3.890
   61    HB2  LYS  11          1HB       LYS  11  -2.731  -3.994   5.051
   62    HB3  LYS  11          2HB       LYS  11  -4.156  -3.939   4.023
   63    HG2  LYS  11          1HG       LYS  11  -1.722  -5.149   2.800
   64    HG3  LYS  11          2HG       LYS  11  -2.449  -6.032   4.154
   65    HD2  LYS  11          1HD       LYS  11  -4.644  -5.960   3.008
   66    HD3  LYS  11          2HD       LYS  11  -3.890  -5.135   1.635
   67    HE2  LYS  11          1HE       LYS  11  -2.379  -7.065   1.303
   68    HE3  LYS  11          2HE       LYS  11  -3.146  -7.895   2.667
   69    HZ1  LYS  11          1HZ       LYS  11  -5.260  -7.810   1.459
   70    HZ2  LYS  11          2HZ       LYS  11  -4.571  -7.025   0.194
   71    HZ3  LYS  11          3HZ       LYS  11  -4.144  -8.572   0.538
   72    H    GLN  12           H        GLN  12  -0.916  -1.853   1.589
   73    HA   GLN  12           HA       GLN  12   1.444  -3.205   2.637
   74    HB2  GLN  12          1HB       GLN  12   0.659  -1.826   0.164
   75    HB3  GLN  12          2HB       GLN  12   2.313  -1.463   0.658
   76    HG2  GLN  12          1HG       GLN  12   2.730  -3.931   0.871
   77    HG3  GLN  12          2HG       GLN  12   1.126  -4.208   0.181
   78   HE21  GLN  12          1HE2      GLN  12   2.314  -3.966  -3.096
   79   HE22  GLN  12          2HE2      GLN  12   1.106  -4.560  -1.974
   80    H    CYS  13           H        CYS  13   3.563  -1.790   2.567
   81    HA   CYS  13           HA       CYS  13   3.372   0.006   4.813
   82    HB2  CYS  13          1HB       CYS  13   5.331  -1.379   4.389
   83    HB3  CYS  13          2HB       CYS  13   5.586  -0.600   2.828
   84    H    LEU  14           H        LEU  14   2.576   2.005   4.754
   85    HA   LEU  14           HA       LEU  14   3.414   3.797   2.536
   86    HB2  LEU  14          1HB       LEU  14   1.044   3.765   3.348
   87    HB3  LEU  14          2HB       LEU  14   1.608   4.298   4.924
   88    HG   LEU  14           HG       LEU  14   2.437   6.411   3.861
   89   HD11  LEU  14          1HD1      LEU  14   2.672   5.672   1.541
   90   HD12  LEU  14          2HD1      LEU  14   0.927   5.329   1.449
   91   HD13  LEU  14          3HD1      LEU  14   1.502   7.001   1.637
   92   HD21  LEU  14          1HD2      LEU  14   0.276   6.243   5.032
   93   HD22  LEU  14          2HD2      LEU  14   0.186   7.379   3.671
   94   HD23  LEU  14          3HD2      LEU  14  -0.514   5.752   3.514
   95    H    ILE  15           H        ILE  15   3.563   3.545   6.109
   96    HA   ILE  15           HA       ILE  15   5.901   5.411   6.028
   97    HB   ILE  15           HB       ILE  15   3.784   5.246   8.207
   98   HG12  ILE  15          1HG1      ILE  15   2.904   6.350   6.199
   99   HG13  ILE  15          2HG1      ILE  15   3.041   7.426   7.579
  100   HG21  ILE  15          1HG2      ILE  15   4.961   7.265   9.116
  101   HG22  ILE  15          2HG2      ILE  15   5.932   5.784   9.164
  102   HG23  ILE  15          3HG2      ILE  15   6.247   7.005   7.916
  103   HD11  ILE  15          1HD1      ILE  15   3.670   8.492   5.446
  104   HD12  ILE  15          2HD1      ILE  15   4.979   8.514   6.645
  105   HD13  ILE  15          3HD1      ILE  15   5.030   7.357   5.293
  106    H    PHE  16           H        PHE  16   4.319   2.695   7.797
  107    HA   PHE  16           HA       PHE  16   6.563   2.848   9.718
  108    HB2  PHE  16          1HB       PHE  16   3.911   1.394   9.949
  109    HB3  PHE  16          2HB       PHE  16   5.097   1.642  11.234
  110    HD1  PHE  16           HD1      PHE  16   2.098   2.841   9.875
  111    HD2  PHE  16           HD2      PHE  16   5.753   4.220  11.611
  112    HE1  PHE  16           HE1      PHE  16   1.018   4.982  10.441
  113    HE2  PHE  16           HE2      PHE  16   4.690   6.376  12.145
  114    HZ   PHE  16           HZ       PHE  16   2.313   6.759  11.577
  115    H    CYS  17           H        CYS  17   7.171   1.663   7.253
  116    HA   CYS  17           HA       CYS  17   7.063  -1.064   6.944
  117    HB2  CYS  17          1HB       CYS  17   9.171   1.016   6.429
  118    HB3  CYS  17          2HB       CYS  17   9.698  -0.676   6.350
  119    HC   CYS  17           HC       CYS  17   8.100  -1.038   9.543
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1   3.122   1.600  -0.001
    2    HA2  GLY   1          1HA       GLY   1   2.652  -0.688  -1.454
    3    HA3  GLY   1          2HA       GLY   1   3.079   0.480  -2.692
    4    H    GLY   2           H        GLY   2   4.589   0.530   0.531
    5    HA2  GLY   2          1HA       GLY   2   7.168   0.243  -0.809
    6    HA3  GLY   2          2HA       GLY   2   6.891   0.648   0.881
    7    H    GLY   3           H        GLY   3   5.480  -2.233  -0.608
    8    HA2  GLY   3          1HA       GLY   3   6.223  -4.424  -0.607
    9    HA3  GLY   3          2HA       GLY   3   7.714  -3.926   0.183
   10    H    GLY   4           H        GLY   4   6.857  -2.867   2.574
   11    HA2  GLY   4          1HA       GLY   4   6.022  -5.321   3.950
   12    HA3  GLY   4          2HA       GLY   4   6.510  -3.799   4.708
   13    H    ARG   5           H        ARG   5   4.658  -3.926   6.168
   14    HA   ARG   5           HA       ARG   5   2.036  -3.659   4.774
   15    HB2  ARG   5          1HB       ARG   5   0.986  -4.590   6.684
   16    HB3  ARG   5          2HB       ARG   5   2.338  -5.636   6.249
   17    HG2  ARG   5          1HG       ARG   5   3.686  -4.627   8.073
   18    HG3  ARG   5          2HG       ARG   5   2.295  -3.613   8.512
   19    HD2  ARG   5          1HD       ARG   5   0.955  -5.726   8.802
   20    HD3  ARG   5          2HD       ARG   5   2.450  -6.645   8.580
   21    HE   ARG   5           HE       ARG   5   1.635  -5.062  10.912
   22   HH11  ARG   5          1HH1      ARG   5   4.359  -6.706   9.351
   23   HH12  ARG   5          2HH1      ARG   5   5.240  -6.827  10.863
   24   HH21  ARG   5          1HH2      ARG   5   2.823  -5.229  12.750
   25   HH22  ARG   5          2HH2      ARG   5   4.399  -6.002  12.738
   26    H    GLY   6           H        GLY   6   0.368  -2.331   5.851
   27    HA2  GLY   6          1HA       GLY   6   0.583  -0.435   7.761
   28    HA3  GLY   6          2HA       GLY   6   1.591   0.259   6.481
   29    H    TYR   7           H        TYR   7   0.169   2.042   6.302
   30    HA   TYR   7           HA       TYR   7  -2.642   1.758   5.775
   31    HB2  TYR   7          1HB       TYR   7  -1.437   3.727   6.768
   32    HB3  TYR   7          2HB       TYR   7  -0.796   4.074   5.158
   33    HD1  TYR   7           HD1      TYR   7  -3.760   4.220   7.317
   34    HD2  TYR   7           HD2      TYR   7  -2.332   4.731   3.325
   35    HE1  TYR   7           HE1      TYR   7  -5.826   5.433   6.736
   36    HE2  TYR   7           HE2      TYR   7  -4.380   6.004   2.756
   37    HH   TYR   7           HH       TYR   7  -6.400   6.758   3.475
   38    H    GLU   8           H        GLU   8   0.164   1.882   3.610
   39    HA   GLU   8           HA       GLU   8  -1.064   3.390   1.557
   40    HB2  GLU   8          1HB       GLU   8   1.423   3.034   1.934
   41    HB3  GLU   8          2HB       GLU   8   1.245   1.402   1.311
   42    HG2  GLU   8          1HG       GLU   8   0.079   3.392  -0.536
   43    HG3  GLU   8          2HG       GLU   8   1.765   3.760  -0.173
   44    H    TYR   9           H        TYR   9  -2.540   3.013   0.212
   45    HA   TYR   9           HA       TYR   9  -3.873   2.066  -1.339
   46    HB2  TYR   9          1HB       TYR   9  -1.712   1.682  -2.436
   47    HB3  TYR   9          2HB       TYR   9  -1.614   0.081  -1.708
   48    HD1  TYR   9           HD1      TYR   9  -3.628   2.190  -4.046
   49    HD2  TYR   9           HD2      TYR   9  -2.704  -1.776  -2.738
   50    HE1  TYR   9           HE1      TYR   9  -4.939   1.263  -5.919
   51    HE2  TYR   9           HE2      TYR   9  -4.016  -2.698  -4.614
   52    HH   TYR   9           HH       TYR   9  -5.689  -0.606  -6.967
   53    H    ASN  10           H        ASN  10  -2.444  -0.992  -0.172
   54    HA   ASN  10           HA       ASN  10  -5.030  -1.740   1.032
   55    HB2  ASN  10          1HB       ASN  10  -5.089  -2.437  -1.413
   56    HB3  ASN  10          2HB       ASN  10  -3.737  -3.528  -1.055
   57   HD21  ASN  10          1HD2      ASN  10  -6.827  -5.521  -0.806
   58   HD22  ASN  10          2HD2      ASN  10  -5.930  -4.667  -2.051
   59    H    LYS  11           H        LYS  11  -3.720  -1.459   2.873
   60    HA   LYS  11           HA       LYS  11  -2.542  -2.216   4.651
   61    HB2  LYS  11          1HB       LYS  11  -2.768  -4.926   3.317
   62    HB3  LYS  11          2HB       LYS  11  -2.293  -4.617   4.989
   63    HG2  LYS  11          1HG       LYS  11  -4.641  -3.301   4.977
   64    HG3  LYS  11          2HG       LYS  11  -4.989  -4.511   3.732
   65    HD2  LYS  11          1HD       LYS  11  -3.925  -5.115   6.516
   66    HD3  LYS  11          2HD       LYS  11  -5.630  -5.197   6.049
   67    HE2  LYS  11          1HE       LYS  11  -5.090  -6.933   4.373
   68    HE3  LYS  11          2HE       LYS  11  -3.381  -6.847   4.833
   69    HZ1  LYS  11          1HZ       LYS  11  -4.028  -7.495   7.106
   70    HZ2  LYS  11          2HZ       LYS  11  -5.610  -7.586   6.670
   71    HZ3  LYS  11          3HZ       LYS  11  -4.523  -8.639   6.037
   72    H    GLN  12           H        GLN  12  -0.953  -1.282   2.315
   73    HA   GLN  12           HA       GLN  12   1.509  -2.909   2.754
   74    HB2  GLN  12          1HB       GLN  12   0.682  -1.104   0.476
   75    HB3  GLN  12          2HB       GLN  12   2.319  -1.743   0.668
   76    HG2  GLN  12          1HG       GLN  12   1.632  -3.970   0.373
   77    HG3  GLN  12          2HG       GLN  12  -0.069  -3.574   0.646
   78   HE21  GLN  12          1HE2      GLN  12  -0.753  -3.187  -2.732
   79   HE22  GLN  12          2HE2      GLN  12  -1.296  -3.568  -1.105
   80    H    CYS  13           H        CYS  13   3.572  -1.696   2.608
   81    HA   CYS  13           HA       CYS  13   3.673   0.121   4.795
   82    HB2  CYS  13          1HB       CYS  13   5.584  -1.268   4.120
   83    HB3  CYS  13          2HB       CYS  13   5.712  -0.373   2.600
   84    H    LEU  14           H        LEU  14   3.276   2.181   5.004
   85    HA   LEU  14           HA       LEU  14   3.535   3.952   2.621
   86    HB2  LEU  14          1HB       LEU  14   1.338   3.942   3.867
   87    HB3  LEU  14          2HB       LEU  14   2.195   4.525   5.286
   88    HG   LEU  14           HG       LEU  14   2.823   6.582   4.037
   89   HD11  LEU  14          1HD1      LEU  14   1.575   7.130   1.968
   90   HD12  LEU  14          2HD1      LEU  14   2.699   5.782   1.729
   91   HD13  LEU  14          3HD1      LEU  14   0.955   5.465   1.910
   92   HD21  LEU  14          1HD2      LEU  14   0.833   6.438   5.517
   93   HD22  LEU  14          2HD2      LEU  14   0.613   7.592   4.186
   94   HD23  LEU  14          3HD2      LEU  14  -0.158   5.993   4.105
   95    H    ILE  15           H        ILE  15   4.218   3.876   6.152
   96    HA   ILE  15           HA       ILE  15   6.833   5.157   5.557
   97    HB   ILE  15           HB       ILE  15   5.001   6.022   7.835
   98   HG12  ILE  15          1HG1      ILE  15   6.015   7.707   5.527
   99   HG13  ILE  15          2HG1      ILE  15   4.452   6.894   5.497
  100   HG21  ILE  15          1HG2      ILE  15   7.787   6.973   7.040
  101   HG22  ILE  15          2HG2      ILE  15   6.792   7.647   8.350
  102   HG23  ILE  15          3HG2      ILE  15   7.393   5.988   8.465
  103   HD11  ILE  15          1HD1      ILE  15   3.788   8.133   7.547
  104   HD12  ILE  15          2HD1      ILE  15   5.307   9.054   7.433
  105   HD13  ILE  15          3HD1      ILE  15   4.100   9.165   6.134
  106    H    PHE  16           H        PHE  16   4.792   3.675   8.132
  107    HA   PHE  16           HA       PHE  16   7.263   2.471   9.260
  108    HB2  PHE  16          1HB       PHE  16   4.487   2.765  10.446
  109    HB3  PHE  16          2HB       PHE  16   5.866   1.998  11.241
  110    HD1  PHE  16           HD1      PHE  16   7.710   3.322  12.123
  111    HD2  PHE  16           HD2      PHE  16   4.432   5.184  10.118
  112    HE1  PHE  16           HE1      PHE  16   8.481   5.524  12.920
  113    HE2  PHE  16           HE2      PHE  16   5.207   7.392  10.890
  114    HZ   PHE  16           HZ       PHE  16   7.232   7.569  12.303
  115    H    CYS  17           H        CYS  17   7.539   0.796   7.740
  116    HA   CYS  17           HA       CYS  17   5.436  -0.578   6.530
  117    HB2  CYS  17          1HB       CYS  17   8.247  -1.687   6.992
  118    HB3  CYS  17          2HB       CYS  17   7.101  -2.184   5.740
  119    HC   CYS  17           HC       CYS  17   5.290  -1.724   9.070
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1   1.825   1.687  -2.564
    2    HA2  GLY   1          1HA       GLY   1   2.433   0.578   0.030
    3    HA3  GLY   1          2HA       GLY   1   3.037   0.039  -1.533
    4    H    GLY   2           H        GLY   2   4.592  -0.087   0.688
    5    HA2  GLY   2          1HA       GLY   2   6.974   1.215  -0.090
    6    HA3  GLY   2          2HA       GLY   2   6.204   2.199   1.162
    7    H    GLY   3           H        GLY   3   5.987  -1.346   0.965
    8    HA2  GLY   3          1HA       GLY   3   7.955  -2.414   2.377
    9    HA3  GLY   3          2HA       GLY   3   7.147  -1.506   3.670
   10    H    GLY   4           H        GLY   4   6.798  -3.677   4.599
   11    HA2  GLY   4          1HA       GLY   4   5.463  -5.760   3.311
   12    HA3  GLY   4          2HA       GLY   4   5.523  -5.517   5.051
   13    H    ARG   5           H        ARG   5   3.721  -4.436   6.097
   14    HA   ARG   5           HA       ARG   5   1.285  -4.168   4.421
   15    HB2  ARG   5          1HB       ARG   5   1.573  -6.028   6.800
   16    HB3  ARG   5          2HB       ARG   5   0.027  -5.515   6.133
   17    HG2  ARG   5          1HG       ARG   5   0.098  -7.304   4.826
   18    HG3  ARG   5          2HG       ARG   5   1.363  -6.488   3.898
   19    HD2  ARG   5          1HD       ARG   5   3.083  -7.505   5.345
   20    HD3  ARG   5          2HD       ARG   5   1.826  -8.325   6.279
   21    HE   ARG   5           HE       ARG   5   2.799  -9.005   3.594
   22   HH11  ARG   5          1HH1      ARG   5   0.245  -9.585   5.979
   23   HH12  ARG   5          2HH1      ARG   5  -0.195 -11.113   5.236
   24   HH21  ARG   5          1HH2      ARG   5   2.164 -10.918   2.719
   25   HH22  ARG   5          2HH2      ARG   5   0.859 -11.847   3.437
   26    H    GLY   6           H        GLY   6  -0.068  -2.576   5.070
   27    HA2  GLY   6          1HA       GLY   6  -0.414  -1.866   7.815
   28    HA3  GLY   6          2HA       GLY   6   0.686  -0.722   7.047
   29    H    TYR   7           H        TYR   7  -0.173   0.117   4.823
   30    HA   TYR   7           HA       TYR   7  -3.058   0.403   4.641
   31    HB2  TYR   7          1HB       TYR   7  -2.080   1.951   6.538
   32    HB3  TYR   7          2HB       TYR   7  -1.614   2.993   5.212
   33    HD1  TYR   7           HD1      TYR   7  -4.323   1.743   7.275
   34    HD2  TYR   7           HD2      TYR   7  -3.486   3.837   3.639
   35    HE1  TYR   7           HE1      TYR   7  -6.614   2.652   7.267
   36    HE2  TYR   7           HE2      TYR   7  -5.772   4.758   3.647
   37    HH   TYR   7           HH       TYR   7  -7.777   4.852   4.715
   38    H    GLU   8           H        GLU   8  -1.343   3.172   3.621
   39    HA   GLU   8           HA       GLU   8  -0.653   3.969   1.626
   40    HB2  GLU   8          1HB       GLU   8   1.142   2.203   2.344
   41    HB3  GLU   8          2HB       GLU   8   0.577   1.261   0.985
   42    HG2  GLU   8          1HG       GLU   8   1.293   4.208   0.631
   43    HG3  GLU   8          2HG       GLU   8   2.573   3.013   0.707
   44    H    TYR   9           H        TYR   9  -0.787   0.875   0.061
   45    HA   TYR   9           HA       TYR   9  -2.608   2.034  -1.930
   46    HB2  TYR   9          1HB       TYR   9  -0.526   0.436  -2.228
   47    HB3  TYR   9          2HB       TYR   9  -1.701  -0.845  -1.922
   48    HD1  TYR   9           HD1      TYR   9  -0.745   1.924  -4.194
   49    HD2  TYR   9           HD2      TYR   9  -3.391  -1.388  -3.618
   50    HE1  TYR   9           HE1      TYR   9  -1.386   2.021  -6.572
   51    HE2  TYR   9           HE2      TYR   9  -4.030  -1.284  -6.000
   52    HH   TYR   9           HH       TYR   9  -3.749  -0.225  -8.000
   53    H    ASN  10           H        ASN  10  -2.601  -0.434   0.545
   54    HA   ASN  10           HA       ASN  10  -5.239  -0.383   1.314
   55    HB2  ASN  10          1HB       ASN  10  -5.112  -1.657  -1.243
   56    HB3  ASN  10          2HB       ASN  10  -5.336  -2.938  -0.041
   57   HD21  ASN  10          1HD2      ASN  10  -8.299  -0.186  -0.719
   58   HD22  ASN  10          2HD2      ASN  10  -6.641   0.157  -1.188
   59    H    LYS  11           H        LYS  11  -2.579  -2.593   0.458
   60    HA   LYS  11           HA       LYS  11  -2.751  -3.746   3.200
   61    HB2  LYS  11          1HB       LYS  11  -2.361  -5.965   2.300
   62    HB3  LYS  11          2HB       LYS  11  -3.852  -5.265   1.677
   63    HG2  LYS  11          1HG       LYS  11  -1.544  -4.737  -0.055
   64    HG3  LYS  11          2HG       LYS  11  -1.841  -6.467   0.188
   65    HD2  LYS  11          1HD       LYS  11  -4.170  -6.185  -0.508
   66    HD3  LYS  11          2HD       LYS  11  -3.924  -4.442  -0.709
   67    HE2  LYS  11          1HE       LYS  11  -2.226  -6.451  -2.196
   68    HE3  LYS  11          2HE       LYS  11  -3.807  -5.947  -2.813
   69    HZ1  LYS  11          1HZ       LYS  11  -1.914  -4.544  -3.631
   70    HZ2  LYS  11          2HZ       LYS  11  -3.071  -3.674  -2.869
   71    HZ3  LYS  11          3HZ       LYS  11  -1.663  -3.999  -2.099
   72    H    GLN  12           H        GLN  12  -0.825  -1.777   1.852
   73    HA   GLN  12           HA       GLN  12   1.664  -3.314   2.477
   74    HB2  GLN  12          1HB       GLN  12   1.112  -1.356   0.244
   75    HB3  GLN  12          2HB       GLN  12   2.737  -1.584   0.892
   76    HG2  GLN  12          1HG       GLN  12   2.792  -3.029  -0.850
   77    HG3  GLN  12          2HG       GLN  12   2.332  -4.112   0.465
   78   HE21  GLN  12          1HE2      GLN  12  -0.008  -5.265  -1.947
   79   HE22  GLN  12          2HE2      GLN  12   1.557  -5.549  -1.211
   80    H    CYS  13           H        CYS  13   3.408  -2.091   3.433
   81    HA   CYS  13           HA       CYS  13   2.447  -0.278   5.432
   82    HB2  CYS  13          1HB       CYS  13   5.157  -1.137   4.478
   83    HB3  CYS  13          2HB       CYS  13   5.038   0.308   5.487
   84    H    LEU  14           H        LEU  14   2.532   1.913   5.664
   85    HA   LEU  14           HA       LEU  14   2.783   3.497   3.178
   86    HB2  LEU  14          1HB       LEU  14   0.833   3.746   4.678
   87    HB3  LEU  14          2HB       LEU  14   1.900   4.204   5.994
   88    HG   LEU  14           HG       LEU  14   2.413   6.316   4.947
   89   HD11  LEU  14          1HD1      LEU  14   1.292   7.041   2.874
   90   HD12  LEU  14          2HD1      LEU  14   2.404   5.692   2.577
   91   HD13  LEU  14          3HD1      LEU  14   0.647   5.400   2.647
   92   HD21  LEU  14          1HD2      LEU  14   0.175   7.299   5.046
   93   HD22  LEU  14          2HD2      LEU  14  -0.563   5.695   4.840
   94   HD23  LEU  14          3HD2      LEU  14   0.367   6.071   6.312
   95    H    ILE  15           H        ILE  15   5.096   2.587   3.462
   96    HA   ILE  15           HA       ILE  15   7.308   2.849   3.952
   97    HB   ILE  15           HB       ILE  15   7.134   5.666   4.899
   98   HG12  ILE  15          1HG1      ILE  15   6.644   5.032   1.969
   99   HG13  ILE  15          2HG1      ILE  15   5.391   5.599   3.077
  100   HG21  ILE  15          1HG2      ILE  15   9.124   5.903   3.537
  101   HG22  ILE  15          2HG2      ILE  15   9.269   4.382   4.426
  102   HG23  ILE  15          3HG2      ILE  15   8.806   4.358   2.713
  103   HD11  ILE  15          1HD1      ILE  15   6.108   7.486   1.872
  104   HD12  ILE  15          2HD1      ILE  15   6.788   7.644   3.507
  105   HD13  ILE  15          3HD1      ILE  15   7.823   7.124   2.157
  106    H    PHE  16           H        PHE  16   8.814   3.760   5.887
  107    HA   PHE  16           HA       PHE  16   9.353   3.613   8.105
  108    HB2  PHE  16          1HB       PHE  16   6.521   4.358   8.800
  109    HB3  PHE  16          2HB       PHE  16   8.018   4.796   9.625
  110    HD1  PHE  16           HD1      PHE  16   5.446   6.078   7.747
  111    HD2  PHE  16           HD2      PHE  16   9.718   6.134   7.873
  112    HE1  PHE  16           HE1      PHE  16   5.453   8.161   6.434
  113    HE2  PHE  16           HE2      PHE  16   9.732   8.189   6.514
  114    HZ   PHE  16           HZ       PHE  16   7.600   9.217   5.799
  115    H    CYS  17           H        CYS  17   8.365   1.220   6.799
  116    HA   CYS  17           HA       CYS  17   6.316  -0.076   8.273
  117    HB2  CYS  17          1HB       CYS  17   7.415  -0.650   5.938
  118    HB3  CYS  17          2HB       CYS  17   8.535  -1.625   6.911
  119    HC   CYS  17           HC       CYS  17   7.560  -0.595  10.310
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1   1.775   0.644  -1.699
    2    HA2  GLY   1          1HA       GLY   1   2.984   2.412   0.315
    3    HA3  GLY   1          2HA       GLY   1   2.556   0.791   0.855
    4    H    GLY   2           H        GLY   2   4.894   1.017   1.344
    5    HA2  GLY   2          1HA       GLY   2   6.457  -0.397  -0.692
    6    HA3  GLY   2          2HA       GLY   2   7.039   1.232  -0.297
    7    H    GLY   3           H        GLY   3   5.861  -1.732   1.357
    8    HA2  GLY   3          1HA       GLY   3   8.218  -2.183   2.848
    9    HA3  GLY   3          2HA       GLY   3   7.105  -1.223   3.850
   10    H    GLY   4           H        GLY   4   6.590  -2.903   5.316
   11    HA2  GLY   4          1HA       GLY   4   5.771  -5.514   4.437
   12    HA3  GLY   4          2HA       GLY   4   5.544  -4.826   6.050
   13    H    ARG   5           H        ARG   5   3.465  -4.326   6.668
   14    HA   ARG   5           HA       ARG   5   1.482  -3.782   4.552
   15    HB2  ARG   5          1HB       ARG   5  -0.094  -5.434   5.402
   16    HB3  ARG   5          2HB       ARG   5   1.380  -6.187   4.799
   17    HG2  ARG   5          1HG       ARG   5   1.278  -7.389   6.679
   18    HG3  ARG   5          2HG       ARG   5   2.024  -5.970   7.428
   19    HD2  ARG   5          1HD       ARG   5  -0.168  -5.144   8.117
   20    HD3  ARG   5          2HD       ARG   5  -0.961  -6.506   7.298
   21    HE   ARG   5           HE       ARG   5   0.950  -7.548   9.111
   22   HH11  ARG   5          1HH1      ARG   5  -2.144  -5.838   9.251
   23   HH12  ARG   5          2HH1      ARG   5  -2.546  -6.541  10.808
   24   HH21  ARG   5          1HH2      ARG   5   0.374  -8.378  11.068
   25   HH22  ARG   5          2HH2      ARG   5  -1.154  -7.941  11.815
   26    H    GLY   6           H        GLY   6  -0.257  -2.570   5.147
   27    HA2  GLY   6          1HA       GLY   6  -1.207  -1.780   7.593
   28    HA3  GLY   6          2HA       GLY   6   0.321  -0.889   7.444
   29    H    TYR   7           H        TYR   7  -0.603   1.165   7.230
   30    HA   TYR   7           HA       TYR   7  -2.695   1.845   5.410
   31    HB2  TYR   7          1HB       TYR   7  -0.434   3.348   6.736
   32    HB3  TYR   7          2HB       TYR   7  -1.373   4.125   5.465
   33    HD1  TYR   7           HD1      TYR   7  -1.542   2.802   8.916
   34    HD2  TYR   7           HD2      TYR   7  -3.678   4.776   5.777
   35    HE1  TYR   7           HE1      TYR   7  -3.287   3.485  10.522
   36    HE2  TYR   7           HE2      TYR   7  -5.421   5.443   7.385
   37    HH   TYR   7           HH       TYR   7  -6.117   5.426   9.539
   38    H    GLU   8           H        GLU   8  -2.595   2.976   3.474
   39    HA   GLU   8           HA       GLU   8  -1.609   3.821   1.528
   40    HB2  GLU   8          1HB       GLU   8   0.756   3.229   2.230
   41    HB3  GLU   8          2HB       GLU   8   0.481   1.625   1.558
   42    HG2  GLU   8          1HG       GLU   8  -0.266   3.917  -0.229
   43    HG3  GLU   8          2HG       GLU   8   1.448   3.785   0.117
   44    H    TYR   9           H        TYR   9  -3.501   3.367   0.733
   45    HA   TYR   9           HA       TYR   9  -5.079   2.331  -0.555
   46    HB2  TYR   9          1HB       TYR   9  -2.926   2.224  -2.011
   47    HB3  TYR   9          2HB       TYR   9  -2.953   0.501  -1.687
   48    HD1  TYR   9           HD1      TYR   9  -4.708   3.329  -3.289
   49    HD2  TYR   9           HD2      TYR   9  -4.690  -0.915  -2.738
   50    HE1  TYR   9           HE1      TYR   9  -6.349   3.081  -5.112
   51    HE2  TYR   9           HE2      TYR   9  -6.335  -1.154  -4.556
   52    HH   TYR   9           HH       TYR   9  -7.603   1.656  -6.350
   53    H    ASN  10           H        ASN  10  -3.746  -0.804  -0.865
   54    HA   ASN  10           HA       ASN  10  -4.899  -1.764   1.688
   55    HB2  ASN  10          1HB       ASN  10  -5.831  -2.624  -1.083
   56    HB3  ASN  10          2HB       ASN  10  -6.236  -3.482   0.411
   57   HD21  ASN  10          1HD2      ASN  10  -8.455  -0.884   1.584
   58   HD22  ASN  10          2HD2      ASN  10  -7.231  -1.996   2.168
   59    H    LYS  11           H        LYS  11  -2.173  -1.614   0.313
   60    HA   LYS  11           HA       LYS  11  -1.804  -4.517  -0.303
   61    HB2  LYS  11          1HB       LYS  11  -0.482  -2.130  -1.632
   62    HB3  LYS  11          2HB       LYS  11  -0.182  -3.820  -2.020
   63    HG2  LYS  11          1HG       LYS  11  -2.804  -2.335  -2.388
   64    HG3  LYS  11          2HG       LYS  11  -1.642  -2.722  -3.658
   65    HD2  LYS  11          1HD       LYS  11  -3.163  -4.773  -2.011
   66    HD3  LYS  11          2HD       LYS  11  -3.608  -4.222  -3.630
   67    HE2  LYS  11          1HE       LYS  11  -1.430  -5.038  -4.498
   68    HE3  LYS  11          2HE       LYS  11  -1.029  -5.642  -2.880
   69    HZ1  LYS  11          1HZ       LYS  11  -3.037  -7.044  -2.989
   70    HZ2  LYS  11          2HZ       LYS  11  -3.380  -6.500  -4.499
   71    HZ3  LYS  11          3HZ       LYS  11  -2.034  -7.402  -4.240
   72    H    GLN  12           H        GLN  12   0.246  -1.665   0.480
   73    HA   GLN  12           HA       GLN  12   1.898  -3.473   2.178
   74    HB2  GLN  12          1HB       GLN  12   2.804  -1.738  -0.135
   75    HB3  GLN  12          2HB       GLN  12   3.871  -2.061   1.228
   76    HG2  GLN  12          1HG       GLN  12   4.524  -3.698  -0.191
   77    HG3  GLN  12          2HG       GLN  12   3.332  -4.565   0.781
   78   HE21  GLN  12          1HE2      GLN  12   1.710  -5.642  -2.107
   79   HE22  GLN  12          2HE2      GLN  12   2.158  -5.911  -0.432
   80    H    CYS  13           H        CYS  13   3.426  -2.204   3.548
   81    HA   CYS  13           HA       CYS  13   2.013  -0.227   5.056
   82    HB2  CYS  13          1HB       CYS  13   4.518  -1.651   5.140
   83    HB3  CYS  13          2HB       CYS  13   4.842   0.065   5.408
   84    H    LEU  14           H        LEU  14   2.394   2.014   5.334
   85    HA   LEU  14           HA       LEU  14   3.071   3.385   2.862
   86    HB2  LEU  14          1HB       LEU  14   1.150   3.937   4.325
   87    HB3  LEU  14          2HB       LEU  14   2.263   4.441   5.582
   88    HG   LEU  14           HG       LEU  14   2.929   6.381   4.311
   89   HD11  LEU  14          1HD1      LEU  14   2.817   5.471   2.013
   90   HD12  LEU  14          2HD1      LEU  14   1.038   5.430   2.127
   91   HD13  LEU  14          3HD1      LEU  14   1.902   6.981   2.179
   92   HD21  LEU  14          1HD2      LEU  14   0.775   7.540   4.311
   93   HD22  LEU  14          2HD2      LEU  14  -0.086   5.984   4.279
   94   HD23  LEU  14          3HD2      LEU  14   0.888   6.439   5.700
   95    H    ILE  15           H        ILE  15   5.261   2.116   3.562
   96    HA   ILE  15           HA       ILE  15   7.510   2.350   3.785
   97    HB   ILE  15           HB       ILE  15   7.296   5.359   3.994
   98   HG12  ILE  15          1HG1      ILE  15   7.220   3.797   1.387
   99   HG13  ILE  15          2HG1      ILE  15   5.799   4.555   2.109
  100   HG21  ILE  15          1HG2      ILE  15   9.533   4.272   4.187
  101   HG22  ILE  15          2HG2      ILE  15   9.278   3.487   2.614
  102   HG23  ILE  15          3HG2      ILE  15   9.419   5.255   2.730
  103   HD11  ILE  15          1HD1      ILE  15   6.555   6.018   0.436
  104   HD12  ILE  15          2HD1      ILE  15   6.983   6.762   1.993
  105   HD13  ILE  15          3HD1      ILE  15   8.233   5.954   1.013
  106    H    PHE  16           H        PHE  16   9.180   2.766   5.416
  107    HA   PHE  16           HA       PHE  16   9.877   2.689   7.591
  108    HB2  PHE  16          1HB       PHE  16   7.814   4.867   7.999
  109    HB3  PHE  16          2HB       PHE  16   9.109   4.437   9.117
  110    HD1  PHE  16           HD1      PHE  16  11.447   4.981   8.619
  111    HD2  PHE  16           HD2      PHE  16   8.291   6.073   5.961
  112    HE1  PHE  16           HE1      PHE  16  12.990   6.479   7.413
  113    HE2  PHE  16           HE2      PHE  16   9.839   7.522   4.705
  114    HZ   PHE  16           HZ       PHE  16  12.194   7.748   5.441
  115    H    CYS  17           H        CYS  17   8.120   0.656   6.967
  116    HA   CYS  17           HA       CYS  17   5.753   0.511   8.500
  117    HB2  CYS  17          1HB       CYS  17   6.713  -1.110   6.637
  118    HB3  CYS  17          2HB       CYS  17   7.419  -1.970   8.022
  119    HC   CYS  17           HC       CYS  17   6.665   0.341  10.753
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1   1.534  -0.417  -1.904
    2    HA2  GLY   1          1HA       GLY   1   2.880   1.076  -3.053
    3    HA3  GLY   1          2HA       GLY   1   2.414   2.362  -1.945
    4    H    GLY   2           H        GLY   2   3.855  -0.772  -0.984
    5    HA2  GLY   2          1HA       GLY   2   6.520   0.322  -0.729
    6    HA3  GLY   2          2HA       GLY   2   5.658   0.264   0.816
    7    H    GLY   3           H        GLY   3   6.871  -1.301   1.780
    8    HA2  GLY   3          1HA       GLY   3   6.506  -4.056   0.747
    9    HA3  GLY   3          2HA       GLY   3   8.152  -3.485   1.058
   10    H    GLY   4           H        GLY   4   5.064  -4.392   2.492
   11    HA2  GLY   4          1HA       GLY   4   5.787  -5.495   4.849
   12    HA3  GLY   4          2HA       GLY   4   5.975  -3.761   5.207
   13    H    ARG   5           H        ARG   5   4.163  -3.430   6.549
   14    HA   ARG   5           HA       ARG   5   1.671  -3.225   5.018
   15    HB2  ARG   5          1HB       ARG   5   0.282  -4.338   6.646
   16    HB3  ARG   5          2HB       ARG   5   1.493  -5.454   6.020
   17    HG2  ARG   5          1HG       ARG   5   2.508  -4.180   8.408
   18    HG3  ARG   5          2HG       ARG   5   0.895  -4.838   8.721
   19    HD2  ARG   5          1HD       ARG   5   1.616  -7.029   7.850
   20    HD3  ARG   5          2HD       ARG   5   3.226  -6.375   7.518
   21    HE   ARG   5           HE       ARG   5   2.102  -7.128  10.113
   22   HH11  ARG   5          1HH1      ARG   5   4.695  -5.316   8.519
   23   HH12  ARG   5          2HH1      ARG   5   5.710  -5.372   9.946
   24   HH21  ARG   5          1HH2      ARG   5   3.430  -7.131  11.866
   25   HH22  ARG   5          2HH2      ARG   5   5.012  -6.369  11.798
   26    H    GLY   6           H        GLY   6   0.271  -1.618   5.734
   27    HA2  GLY   6          1HA       GLY   6  -0.377  -0.465   7.945
   28    HA3  GLY   6          2HA       GLY   6   1.313   0.037   7.983
   29    H    TYR   7           H        TYR   7  -1.827   0.764   6.873
   30    HA   TYR   7           HA       TYR   7  -2.715   2.493   5.695
   31    HB2  TYR   7          1HB       TYR   7  -0.401   3.583   6.890
   32    HB3  TYR   7          2HB       TYR   7  -0.396   4.181   5.241
   33    HD1  TYR   7           HD1      TYR   7  -2.144   4.194   8.470
   34    HD2  TYR   7           HD2      TYR   7  -2.287   5.607   4.434
   35    HE1  TYR   7           HE1      TYR   7  -3.860   5.844   9.105
   36    HE2  TYR   7           HE2      TYR   7  -3.985   7.275   5.084
   37    HH   TYR   7           HH       TYR   7  -5.186   7.561   8.429
   38    H    GLU   8           H        GLU   8  -1.245   4.025   3.552
   39    HA   GLU   8           HA       GLU   8  -0.430   3.856   1.437
   40    HB2  GLU   8          1HB       GLU   8   1.280   2.380   2.556
   41    HB3  GLU   8          2HB       GLU   8   0.328   0.976   2.114
   42    HG2  GLU   8          1HG       GLU   8   0.922   2.823  -0.164
   43    HG3  GLU   8          2HG       GLU   8   2.344   2.104   0.586
   44    H    TYR   9           H        TYR   9  -3.003   2.154   2.482
   45    HA   TYR   9           HA       TYR   9  -4.829   1.175   1.469
   46    HB2  TYR   9          1HB       TYR   9  -4.040   3.182  -0.325
   47    HB3  TYR   9          2HB       TYR   9  -4.205   1.760  -1.335
   48    HD1  TYR   9           HD1      TYR   9  -6.501   0.353  -0.827
   49    HD2  TYR   9           HD2      TYR   9  -5.908   4.509   0.019
   50    HE1  TYR   9           HE1      TYR   9  -8.931   0.711  -0.870
   51    HE2  TYR   9           HE2      TYR   9  -8.348   4.863  -0.064
   52    HH   TYR   9           HH       TYR   9 -10.630   2.195  -0.706
   53    H    ASN  10           H        ASN  10  -4.884  -0.167  -1.106
   54    HA   ASN  10           HA       ASN  10  -4.573  -2.362  -1.713
   55    HB2  ASN  10          1HB       ASN  10  -2.715  -0.985  -2.761
   56    HB3  ASN  10          2HB       ASN  10  -1.631  -1.625  -1.530
   57   HD21  ASN  10          1HD2      ASN  10  -0.921  -4.161  -3.873
   58   HD22  ASN  10          2HD2      ASN  10  -0.328  -2.853  -2.864
   59    H    LYS  11           H        LYS  11  -1.507  -3.011  -0.345
   60    HA   LYS  11           HA       LYS  11  -2.412  -3.641   2.304
   61    HB2  LYS  11          1HB       LYS  11  -2.054  -6.073   2.248
   62    HB3  LYS  11          2HB       LYS  11  -3.481  -5.530   1.387
   63    HG2  LYS  11          1HG       LYS  11  -0.989  -5.958  -0.211
   64    HG3  LYS  11          2HG       LYS  11  -1.835  -7.379   0.421
   65    HD2  LYS  11          1HD       LYS  11  -3.938  -6.586  -0.628
   66    HD3  LYS  11          2HD       LYS  11  -3.064  -5.203  -1.301
   67    HE2  LYS  11          1HE       LYS  11  -1.534  -6.801  -2.475
   68    HE3  LYS  11          2HE       LYS  11  -2.571  -8.133  -1.923
   69    HZ1  LYS  11          1HZ       LYS  11  -4.441  -7.084  -3.062
   70    HZ2  LYS  11          2HZ       LYS  11  -3.537  -5.789  -3.495
   71    HZ3  LYS  11          3HZ       LYS  11  -3.227  -7.263  -4.155
   72    H    GLN  12           H        GLN  12  -0.298  -2.070   1.308
   73    HA   GLN  12           HA       GLN  12   1.920  -3.581   2.596
   74    HB2  GLN  12          1HB       GLN  12   2.199  -1.583   0.328
   75    HB3  GLN  12          2HB       GLN  12   3.533  -2.243   1.269
   76    HG2  GLN  12          1HG       GLN  12   3.651  -3.588  -0.524
   77    HG3  GLN  12          2HG       GLN  12   2.606  -4.559   0.520
   78   HE21  GLN  12          1HE2      GLN  12   0.317  -4.864  -2.095
   79   HE22  GLN  12          2HE2      GLN  12   1.247  -5.608  -0.806
   80    H    CYS  13           H        CYS  13   3.736  -1.609   2.963
   81    HA   CYS  13           HA       CYS  13   2.373   0.159   4.919
   82    HB2  CYS  13          1HB       CYS  13   4.744   0.564   5.675
   83    HB3  CYS  13          2HB       CYS  13   4.231  -1.131   5.796
   84    H    LEU  14           H        LEU  14   2.946   2.378   5.094
   85    HA   LEU  14           HA       LEU  14   3.677   3.589   2.484
   86    HB2  LEU  14          1HB       LEU  14   1.639   4.113   4.232
   87    HB3  LEU  14          2HB       LEU  14   2.815   5.326   4.725
   88    HG   LEU  14           HG       LEU  14   1.756   4.971   1.903
   89   HD11  LEU  14          1HD1      LEU  14   1.028   7.003   4.044
   90   HD12  LEU  14          2HD1      LEU  14   0.421   6.975   2.373
   91   HD13  LEU  14          3HD1      LEU  14   0.004   5.658   3.488
   92   HD21  LEU  14          1HD2      LEU  14   3.390   7.212   3.148
   93   HD22  LEU  14          2HD2      LEU  14   3.961   6.040   1.935
   94   HD23  LEU  14          3HD2      LEU  14   2.697   7.209   1.509
   95    H    ILE  15           H        ILE  15   4.483   3.900   5.972
   96    HA   ILE  15           HA       ILE  15   7.170   4.871   5.120
   97    HB   ILE  15           HB       ILE  15   5.510   6.098   7.359
   98   HG12  ILE  15          1HG1      ILE  15   6.503   7.433   4.824
   99   HG13  ILE  15          2HG1      ILE  15   4.897   6.719   4.955
  100   HG21  ILE  15          1HG2      ILE  15   7.914   6.001   7.902
  101   HG22  ILE  15          2HG2      ILE  15   8.308   6.764   6.345
  102   HG23  ILE  15          3HG2      ILE  15   7.414   7.668   7.588
  103   HD11  ILE  15          1HD1      ILE  15   4.715   9.073   5.324
  104   HD12  ILE  15          2HD1      ILE  15   4.388   8.230   6.854
  105   HD13  ILE  15          3HD1      ILE  15   5.957   9.030   6.593
  106    H    PHE  16           H        PHE  16   5.231   3.768   7.965
  107    HA   PHE  16           HA       PHE  16   7.762   2.881   9.200
  108    HB2  PHE  16          1HB       PHE  16   4.954   3.158  10.293
  109    HB3  PHE  16          2HB       PHE  16   6.306   2.476  11.202
  110    HD1  PHE  16           HD1      PHE  16   8.051   3.856  12.105
  111    HD2  PHE  16           HD2      PHE  16   4.985   5.558   9.667
  112    HE1  PHE  16           HE1      PHE  16   8.826   6.114  12.716
  113    HE2  PHE  16           HE2      PHE  16   5.773   7.820  10.246
  114    HZ   PHE  16           HZ       PHE  16   7.695   8.106  11.780
  115    H    CYS  17           H        CYS  17   7.805   1.268   7.349
  116    HA   CYS  17           HA       CYS  17   6.021  -0.923   7.213
  117    HB2  CYS  17          1HB       CYS  17   9.008  -0.824   6.563
  118    HB3  CYS  17          2HB       CYS  17   7.886  -2.079   5.999
  119    HC   CYS  17           HC       CYS  17   7.624  -1.354   9.628
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1   1.619   1.121  -2.949
    2    HA2  GLY   1          1HA       GLY   1   2.541   0.197  -0.350
    3    HA3  GLY   1          2HA       GLY   1   2.828  -0.548  -1.922
    4    H    GLY   2           H        GLY   2   4.910  -0.906  -0.639
    5    HA2  GLY   2          1HA       GLY   2   7.028   0.432  -1.787
    6    HA3  GLY   2          2HA       GLY   2   6.676   1.368  -0.328
    7    H    GLY   3           H        GLY   3   5.795  -0.859   1.281
    8    HA2  GLY   3          1HA       GLY   3   8.177  -2.628   1.383
    9    HA3  GLY   3          2HA       GLY   3   7.779  -1.655   2.807
   10    H    GLY   4           H        GLY   4   7.071  -3.152   4.263
   11    HA2  GLY   4          1HA       GLY   4   5.671  -5.519   3.543
   12    HA3  GLY   4          2HA       GLY   4   5.838  -4.866   5.170
   13    H    ARG   5           H        ARG   5   4.001  -4.092   6.171
   14    HA   ARG   5           HA       ARG   5   1.633  -3.636   4.429
   15    HB2  ARG   5          1HB       ARG   5   0.253  -5.025   5.767
   16    HB3  ARG   5          2HB       ARG   5   1.665  -5.960   5.275
   17    HG2  ARG   5          1HG       ARG   5   2.665  -5.506   7.545
   18    HG3  ARG   5          2HG       ARG   5   1.122  -4.756   8.005
   19    HD2  ARG   5          1HD       ARG   5  -0.029  -6.904   7.395
   20    HD3  ARG   5          2HD       ARG   5   1.560  -7.614   7.083
   21    HE   ARG   5           HE       ARG   5   1.994  -7.714   9.366
   22   HH11  ARG   5          1HH1      ARG   5  -1.061  -5.989   8.874
   23   HH12  ARG   5          2HH1      ARG   5  -1.464  -6.078  10.581
   24   HH21  ARG   5          1HH2      ARG   5   1.399  -7.793  11.478
   25   HH22  ARG   5          2HH2      ARG   5  -0.112  -7.076  12.017
   26    H    GLY   6           H        GLY   6  -0.174  -2.533   5.422
   27    HA2  GLY   6          1HA       GLY   6  -0.601  -1.700   7.889
   28    HA3  GLY   6          2HA       GLY   6   0.698  -0.590   7.475
   29    H    TYR   7           H        TYR   7  -0.069   0.018   4.775
   30    HA   TYR   7           HA       TYR   7  -2.806   0.924   4.726
   31    HB2  TYR   7          1HB       TYR   7  -1.387   2.400   6.419
   32    HB3  TYR   7          2HB       TYR   7  -0.887   3.234   4.968
   33    HD1  TYR   7           HD1      TYR   7  -3.593   2.574   7.317
   34    HD2  TYR   7           HD2      TYR   7  -2.705   4.328   3.516
   35    HE1  TYR   7           HE1      TYR   7  -5.696   3.853   7.411
   36    HE2  TYR   7           HE2      TYR   7  -4.797   5.623   3.630
   37    HH   TYR   7           HH       TYR   7  -7.040   5.371   6.392
   38    H    GLU   8           H        GLU   8  -0.897   3.299   3.350
   39    HA   GLU   8           HA       GLU   8  -0.254   3.855   1.271
   40    HB2  GLU   8          1HB       GLU   8   1.394   1.935   1.965
   41    HB3  GLU   8          2HB       GLU   8   0.614   1.002   0.706
   42    HG2  GLU   8          1HG       GLU   8   1.605   3.829   0.128
   43    HG3  GLU   8          2HG       GLU   8   2.756   2.506   0.176
   44    H    TYR   9           H        TYR   9  -1.004   0.643   0.106
   45    HA   TYR   9           HA       TYR   9  -2.924   1.891  -1.782
   46    HB2  TYR   9          1HB       TYR   9  -0.994  -0.031  -2.112
   47    HB3  TYR   9          2HB       TYR   9  -2.427  -1.037  -1.887
   48    HD1  TYR   9           HD1      TYR   9  -0.944   1.673  -3.969
   49    HD2  TYR   9           HD2      TYR   9  -4.096  -1.200  -3.629
   50    HE1  TYR   9           HE1      TYR   9  -1.505   2.003  -6.347
   51    HE2  TYR   9           HE2      TYR   9  -4.653  -0.864  -6.010
   52    HH   TYR   9           HH       TYR   9  -2.845   1.412  -8.078
   53    H    ASN  10           H        ASN  10  -2.709  -0.505   0.777
   54    HA   ASN  10           HA       ASN  10  -5.225  -0.112   1.884
   55    HB2  ASN  10          1HB       ASN  10  -5.556  -1.540  -0.517
   56    HB3  ASN  10          2HB       ASN  10  -5.581  -2.785   0.737
   57   HD21  ASN  10          1HD2      ASN  10  -8.582   0.004   0.481
   58   HD22  ASN  10          2HD2      ASN  10  -7.034   0.274  -0.303
   59    H    LYS  11           H        LYS  11  -2.931  -2.691   0.974
   60    HA   LYS  11           HA       LYS  11  -2.824  -3.508   3.851
   61    HB2  LYS  11          1HB       LYS  11  -2.671  -5.270   1.384
   62    HB3  LYS  11          2HB       LYS  11  -2.480  -5.826   3.042
   63    HG2  LYS  11          1HG       LYS  11  -5.006  -4.612   1.877
   64    HG3  LYS  11          2HG       LYS  11  -4.694  -6.337   2.063
   65    HD2  LYS  11          1HD       LYS  11  -4.807  -4.362   4.369
   66    HD3  LYS  11          2HD       LYS  11  -6.157  -5.362   3.825
   67    HE2  LYS  11          1HE       LYS  11  -4.829  -7.405   4.265
   68    HE3  LYS  11          2HE       LYS  11  -3.492  -6.400   4.853
   69    HZ1  LYS  11          1HZ       LYS  11  -6.235  -6.445   6.013
   70    HZ2  LYS  11          2HZ       LYS  11  -4.920  -7.146   6.697
   71    HZ3  LYS  11          3HZ       LYS  11  -5.005  -5.510   6.559
   72    H    GLN  12           H        GLN  12  -1.044  -1.705   2.148
   73    HA   GLN  12           HA       GLN  12   1.475  -3.304   2.366
   74    HB2  GLN  12          1HB       GLN  12   0.607  -1.315   0.256
   75    HB3  GLN  12          2HB       GLN  12   2.292  -1.790   0.509
   76    HG2  GLN  12          1HG       GLN  12   1.545  -3.128  -1.242
   77    HG3  GLN  12          2HG       GLN  12   1.599  -4.181   0.175
   78   HE21  GLN  12          1HE2      GLN  12  -1.589  -5.316  -0.720
   79   HE22  GLN  12          2HE2      GLN  12   0.093  -5.692  -0.403
   80    H    CYS  13           H        CYS  13   3.451  -2.023   2.730
   81    HA   CYS  13           HA       CYS  13   2.917  -0.196   4.920
   82    HB2  CYS  13          1HB       CYS  13   4.876  -1.736   4.865
   83    HB3  CYS  13          2HB       CYS  13   5.552  -0.770   3.533
   84    H    LEU  14           H        LEU  14   2.862   1.958   5.010
   85    HA   LEU  14           HA       LEU  14   3.425   3.480   2.533
   86    HB2  LEU  14          1HB       LEU  14   1.360   3.628   4.246
   87    HB3  LEU  14          2HB       LEU  14   2.417   4.798   5.020
   88    HG   LEU  14           HG       LEU  14   1.484   4.930   2.139
   89   HD11  LEU  14          1HD1      LEU  14  -0.378   5.141   3.725
   90   HD12  LEU  14          2HD1      LEU  14   0.504   6.410   4.606
   91   HD13  LEU  14          3HD1      LEU  14  -0.036   6.692   2.936
   92   HD21  LEU  14          1HD2      LEU  14   2.232   7.233   2.158
   93   HD22  LEU  14          2HD2      LEU  14   2.794   7.075   3.838
   94   HD23  LEU  14          3HD2      LEU  14   3.595   6.161   2.534
   95    H    ILE  15           H        ILE  15   4.265   3.641   6.040
   96    HA   ILE  15           HA       ILE  15   6.866   4.836   5.212
   97    HB   ILE  15           HB       ILE  15   5.169   5.844   7.531
   98   HG12  ILE  15          1HG1      ILE  15   5.979   7.373   5.043
   99   HG13  ILE  15          2HG1      ILE  15   4.438   6.527   5.181
  100   HG21  ILE  15          1HG2      ILE  15   7.589   5.918   8.004
  101   HG22  ILE  15          2HG2      ILE  15   7.873   6.770   6.471
  102   HG23  ILE  15          3HG2      ILE  15   6.952   7.551   7.775
  103   HD11  ILE  15          1HD1      ILE  15   5.368   8.823   6.921
  104   HD12  ILE  15          2HD1      ILE  15   4.092   8.844   5.685
  105   HD13  ILE  15          3HD1      ILE  15   3.871   7.892   7.170
  106    H    PHE  16           H        PHE  16   5.012   3.262   7.881
  107    HA   PHE  16           HA       PHE  16   7.498   3.358   9.472
  108    HB2  PHE  16          1HB       PHE  16   4.689   2.611  10.345
  109    HB3  PHE  16          2HB       PHE  16   6.053   3.040  11.381
  110    HD1  PHE  16           HD1      PHE  16   3.142   4.235   9.757
  111    HD2  PHE  16           HD2      PHE  16   7.044   5.457  11.006
  112    HE1  PHE  16           HE1      PHE  16   2.437   6.592   9.643
  113    HE2  PHE  16           HE2      PHE  16   6.352   7.818  10.862
  114    HZ   PHE  16           HZ       PHE  16   4.045   8.393  10.184
  115    H    CYS  17           H        CYS  17   7.868   1.484   7.599
  116    HA   CYS  17           HA       CYS  17   6.549  -0.987   7.970
  117    HB2  CYS  17          1HB       CYS  17   9.351  -0.739   6.801
  118    HB3  CYS  17          2HB       CYS  17   8.087  -1.914   6.404
  119    HC   CYS  17           HC       CYS  17   8.199  -0.980  10.200
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1   2.038   0.607  -2.431
    2    HA2  GLY   1          1HA       GLY   1   3.889   1.918  -0.709
    3    HA3  GLY   1          2HA       GLY   1   3.090   0.607   0.176
    4    H    GLY   2           H        GLY   2   5.679   0.196  -0.017
    5    HA2  GLY   2          1HA       GLY   2   5.956  -1.649  -2.350
    6    HA3  GLY   2          2HA       GLY   2   7.249  -0.573  -1.850
    7    H    GLY   3           H        GLY   3   7.189  -1.014   0.982
    8    HA2  GLY   3          1HA       GLY   3   8.172  -3.838   0.947
    9    HA3  GLY   3          2HA       GLY   3   9.060  -2.502   1.675
   10    H    GLY   4           H        GLY   4   6.378  -4.746   2.049
   11    HA2  GLY   4          1HA       GLY   4   5.940  -5.614   4.251
   12    HA3  GLY   4          2HA       GLY   4   6.403  -4.061   4.946
   13    H    ARG   5           H        ARG   5   4.488  -3.950   6.164
   14    HA   ARG   5           HA       ARG   5   2.007  -3.532   4.559
   15    HB2  ARG   5          1HB       ARG   5   2.413  -5.195   7.055
   16    HB3  ARG   5          2HB       ARG   5   0.832  -4.571   6.590
   17    HG2  ARG   5          1HG       ARG   5   0.639  -6.533   5.519
   18    HG3  ARG   5          2HG       ARG   5   1.516  -5.684   4.243
   19    HD2  ARG   5          1HD       ARG   5   2.868  -7.500   4.340
   20    HD3  ARG   5          2HD       ARG   5   3.619  -6.607   5.666
   21    HE   ARG   5           HE       ARG   5   2.701  -8.085   7.212
   22   HH11  ARG   5          1HH1      ARG   5   1.386  -8.834   4.010
   23   HH12  ARG   5          2HH1      ARG   5   0.704 -10.352   4.569
   24   HH21  ARG   5          1HH2      ARG   5   1.819 -10.003   7.822
   25   HH22  ARG   5          2HH2      ARG   5   0.945 -11.002   6.671
   26    H    GLY   6           H        GLY   6   0.264  -2.454   5.660
   27    HA2  GLY   6          1HA       GLY   6   0.389  -1.011   8.007
   28    HA3  GLY   6          2HA       GLY   6   1.199   0.025   6.828
   29    H    TYR   7           H        TYR   7  -0.091   0.414   4.746
   30    HA   TYR   7           HA       TYR   7  -2.991   0.544   5.063
   31    HB2  TYR   7          1HB       TYR   7  -2.085   2.204   6.732
   32    HB3  TYR   7          2HB       TYR   7  -1.387   3.095   5.377
   33    HD1  TYR   7           HD1      TYR   7  -4.477   2.286   7.184
   34    HD2  TYR   7           HD2      TYR   7  -2.872   4.152   3.696
   35    HE1  TYR   7           HE1      TYR   7  -6.637   3.411   6.796
   36    HE2  TYR   7           HE2      TYR   7  -5.026   5.324   3.331
   37    HH   TYR   7           HH       TYR   7  -7.837   4.813   5.456
   38    H    GLU   8           H        GLU   8  -0.035   1.429   3.388
   39    HA   GLU   8           HA       GLU   8  -1.015   3.159   1.430
   40    HB2  GLU   8          1HB       GLU   8   1.397   2.560   2.001
   41    HB3  GLU   8          2HB       GLU   8   1.207   1.093   1.061
   42    HG2  GLU   8          1HG       GLU   8   0.549   3.764  -0.221
   43    HG3  GLU   8          2HG       GLU   8   2.239   3.329  -0.009
   44    H    TYR   9           H        TYR   9  -2.230   3.096  -0.160
   45    HA   TYR   9           HA       TYR   9  -3.759   2.463  -1.673
   46    HB2  TYR   9          1HB       TYR   9  -1.790   1.366  -2.764
   47    HB3  TYR   9          2HB       TYR   9  -2.271  -0.153  -2.003
   48    HD1  TYR   9           HD1      TYR   9  -3.448   2.543  -4.311
   49    HD2  TYR   9           HD2      TYR   9  -3.952  -1.505  -3.028
   50    HE1  TYR   9           HE1      TYR   9  -5.038   2.155  -6.157
   51    HE2  TYR   9           HE2      TYR   9  -5.534  -1.892  -4.884
   52    HH   TYR   9           HH       TYR   9  -6.584  -1.011  -6.696
   53    H    ASN  10           H        ASN  10  -2.970  -0.344   0.335
   54    HA   ASN  10           HA       ASN  10  -5.800  -0.572   1.142
   55    HB2  ASN  10          1HB       ASN  10  -4.573  -2.278  -0.863
   56    HB3  ASN  10          2HB       ASN  10  -4.987  -3.237   0.567
   57   HD21  ASN  10          1HD2      ASN  10  -7.867  -1.962  -1.965
   58   HD22  ASN  10          2HD2      ASN  10  -6.186  -1.513  -2.187
   59    H    LYS  11           H        LYS  11  -2.692  -2.371   1.225
   60    HA   LYS  11           HA       LYS  11  -2.732  -2.236   4.189
   61    HB2  LYS  11          1HB       LYS  11  -2.577  -4.798   2.565
   62    HB3  LYS  11          2HB       LYS  11  -2.273  -4.694   4.296
   63    HG2  LYS  11          1HG       LYS  11  -4.925  -4.026   2.985
   64    HG3  LYS  11          2HG       LYS  11  -4.506  -5.584   3.710
   65    HD2  LYS  11          1HD       LYS  11  -4.132  -4.462   5.892
   66    HD3  LYS  11          2HD       LYS  11  -4.634  -2.922   5.167
   67    HE2  LYS  11          1HE       LYS  11  -6.831  -3.903   4.610
   68    HE3  LYS  11          2HE       LYS  11  -6.343  -5.428   5.375
   69    HZ1  LYS  11          1HZ       LYS  11  -7.561  -3.995   6.943
   70    HZ2  LYS  11          2HZ       LYS  11  -6.014  -4.188   7.465
   71    HZ3  LYS  11          3HZ       LYS  11  -6.474  -2.785   6.743
   72    H    GLN  12           H        GLN  12  -0.873  -1.467   1.673
   73    HA   GLN  12           HA       GLN  12   1.533  -3.006   2.402
   74    HB2  GLN  12          1HB       GLN  12   0.989  -0.866   0.329
   75    HB3  GLN  12          2HB       GLN  12   2.572  -1.615   0.582
   76    HG2  GLN  12          1HG       GLN  12   1.665  -3.803   0.031
   77    HG3  GLN  12          2HG       GLN  12   0.050  -3.099  -0.165
   78   HE21  GLN  12          1HE2      GLN  12   2.481  -3.234  -3.307
   79   HE22  GLN  12          2HE2      GLN  12   2.594  -4.245  -1.878
   80    H    CYS  13           H        CYS  13   3.653  -1.745   2.623
   81    HA   CYS  13           HA       CYS  13   3.439  -0.096   4.962
   82    HB2  CYS  13          1HB       CYS  13   5.517  -1.312   4.485
   83    HB3  CYS  13          2HB       CYS  13   5.755  -0.356   3.007
   84    H    LEU  14           H        LEU  14   2.887   1.963   5.192
   85    HA   LEU  14           HA       LEU  14   3.021   3.747   2.830
   86    HB2  LEU  14          1HB       LEU  14   0.935   3.567   4.201
   87    HB3  LEU  14          2HB       LEU  14   1.818   4.227   5.571
   88    HG   LEU  14           HG       LEU  14   2.141   6.345   4.342
   89   HD11  LEU  14          1HD1      LEU  14   0.789   6.777   2.310
   90   HD12  LEU  14          2HD1      LEU  14   2.056   5.570   2.023
   91   HD13  LEU  14          3HD1      LEU  14   0.364   5.052   2.236
   92   HD21  LEU  14          1HD2      LEU  14  -0.194   7.070   4.527
   93   HD22  LEU  14          2HD2      LEU  14  -0.739   5.378   4.494
   94   HD23  LEU  14          3HD2      LEU  14   0.229   5.979   5.863
   95    H    ILE  15           H        ILE  15   4.155   3.625   6.239
   96    HA   ILE  15           HA       ILE  15   6.517   5.161   5.387
   97    HB   ILE  15           HB       ILE  15   4.847   6.075   7.768
   98   HG12  ILE  15          1HG1      ILE  15   5.474   7.602   5.221
   99   HG13  ILE  15          2HG1      ILE  15   3.959   6.741   5.498
  100   HG21  ILE  15          1HG2      ILE  15   7.459   7.148   6.617
  101   HG22  ILE  15          2HG2      ILE  15   6.554   7.852   7.977
  102   HG23  ILE  15          3HG2      ILE  15   7.285   6.251   8.142
  103   HD11  ILE  15          1HD1      ILE  15   3.587   9.043   5.958
  104   HD12  ILE  15          2HD1      ILE  15   3.547   8.161   7.501
  105   HD13  ILE  15          3HD1      ILE  15   4.981   9.121   7.056
  106    H    PHE  16           H        PHE  16   4.876   3.751   8.290
  107    HA   PHE  16           HA       PHE  16   7.570   3.048   9.305
  108    HB2  PHE  16          1HB       PHE  16   4.856   3.079  10.653
  109    HB3  PHE  16          2HB       PHE  16   6.353   2.543  11.421
  110    HD1  PHE  16           HD1      PHE  16   8.020   4.108  12.170
  111    HD2  PHE  16           HD2      PHE  16   4.564   5.462  10.059
  112    HE1  PHE  16           HE1      PHE  16   8.554   6.433  12.797
  113    HE2  PHE  16           HE2      PHE  16   5.117   7.793  10.635
  114    HZ   PHE  16           HZ       PHE  16   7.108   8.286  12.023
  115    H    CYS  17           H        CYS  17   7.842   1.323   7.709
  116    HA   CYS  17           HA       CYS  17   5.941  -0.709   7.301
  117    HB2  CYS  17          1HB       CYS  17   8.949  -1.138   7.033
  118    HB3  CYS  17          2HB       CYS  17   7.645  -1.912   6.120
  119    HC   CYS  17           HC       CYS  17   6.827  -1.346   9.881
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1   2.381   0.985  -2.086
    2    HA2  GLY   1          1HA       GLY   1   4.225   1.936  -0.220
    3    HA3  GLY   1          2HA       GLY   1   3.147   0.836   0.668
    4    H    GLY   2           H        GLY   2   5.877   0.135   0.331
    5    HA2  GLY   2          1HA       GLY   2   5.539  -2.287  -1.281
    6    HA3  GLY   2          2HA       GLY   2   6.685  -1.127  -1.934
    7    H    GLY   3           H        GLY   3   6.335  -1.715   1.549
    8    HA2  GLY   3          1HA       GLY   3   8.589  -3.585   1.573
    9    HA3  GLY   3          2HA       GLY   3   8.964  -1.967   2.178
   10    H    GLY   4           H        GLY   4   5.855  -3.642   2.532
   11    HA2  GLY   4          1HA       GLY   4   5.921  -4.887   4.924
   12    HA3  GLY   4          2HA       GLY   4   5.985  -3.186   5.427
   13    H    ARG   5           H        ARG   5   3.879  -3.874   6.471
   14    HA   ARG   5           HA       ARG   5   1.635  -3.721   4.506
   15    HB2  ARG   5          1HB       ARG   5   0.352  -5.157   5.912
   16    HB3  ARG   5          2HB       ARG   5   1.911  -5.928   5.615
   17    HG2  ARG   5          1HG       ARG   5   2.682  -5.116   7.858
   18    HG3  ARG   5          2HG       ARG   5   1.044  -4.498   8.147
   19    HD2  ARG   5          1HD       ARG   5   0.166  -6.812   7.765
   20    HD3  ARG   5          2HD       ARG   5   1.835  -7.387   7.637
   21    HE   ARG   5           HE       ARG   5   0.393  -6.592  10.058
   22   HH11  ARG   5          1HH1      ARG   5   3.594  -7.276   8.702
   23   HH12  ARG   5          2HH1      ARG   5   4.299  -7.481  10.297
   24   HH21  ARG   5          1HH2      ARG   5   1.348  -6.929  12.009
   25   HH22  ARG   5          2HH2      ARG   5   3.056  -7.319  12.120
   26    H    GLY   6           H        GLY   6  -0.445  -2.920   5.479
   27    HA2  GLY   6          1HA       GLY   6  -1.009  -1.754   7.773
   28    HA3  GLY   6          2HA       GLY   6   0.125  -0.552   7.167
   29    H    TYR   7           H        TYR   7  -0.420   0.479   5.049
   30    HA   TYR   7           HA       TYR   7  -3.307   0.622   4.483
   31    HB2  TYR   7          1HB       TYR   7  -2.586   2.153   6.464
   32    HB3  TYR   7          2HB       TYR   7  -1.874   3.178   5.234
   33    HD1  TYR   7           HD1      TYR   7  -4.948   1.972   6.787
   34    HD2  TYR   7           HD2      TYR   7  -3.418   4.208   3.475
   35    HE1  TYR   7           HE1      TYR   7  -7.168   2.985   6.439
   36    HE2  TYR   7           HE2      TYR   7  -5.634   5.232   3.147
   37    HH   TYR   7           HH       TYR   7  -8.419   4.442   5.228
   38    H    GLU   8           H        GLU   8  -1.457   3.374   3.630
   39    HA   GLU   8           HA       GLU   8  -0.557   4.178   1.736
   40    HB2  GLU   8          1HB       GLU   8   1.105   2.312   2.324
   41    HB3  GLU   8          2HB       GLU   8   0.364   1.363   1.046
   42    HG2  GLU   8          1HG       GLU   8   1.060   4.122   0.189
   43    HG3  GLU   8          2HG       GLU   8   2.457   3.213   0.744
   44    H    TYR   9           H        TYR   9  -1.610   1.029   0.527
   45    HA   TYR   9           HA       TYR   9  -3.574   2.407  -1.237
   46    HB2  TYR   9          1HB       TYR   9  -1.707   2.113  -2.705
   47    HB3  TYR   9          2HB       TYR   9  -1.391   0.489  -2.104
   48    HD1  TYR   9           HD1      TYR   9  -2.125  -1.325  -3.363
   49    HD2  TYR   9           HD2      TYR   9  -4.124   2.428  -3.822
   50    HE1  TYR   9           HE1      TYR   9  -3.565  -2.305  -5.110
   51    HE2  TYR   9           HE2      TYR   9  -5.559   1.444  -5.572
   52    HH   TYR   9           HH       TYR   9  -6.100  -0.416  -6.757
   53    H    ASN  10           H        ASN  10  -2.270  -0.885  -0.600
   54    HA   ASN  10           HA       ASN  10  -4.927  -1.656   0.477
   55    HB2  ASN  10          1HB       ASN  10  -4.818  -2.197  -1.983
   56    HB3  ASN  10          2HB       ASN  10  -3.471  -3.291  -1.630
   57   HD21  ASN  10          1HD2      ASN  10  -5.478  -5.872  -0.346
   58   HD22  ASN  10          2HD2      ASN  10  -3.856  -5.204  -0.444
   59    H    LYS  11           H        LYS  11  -3.882  -1.603   2.482
   60    HA   LYS  11           HA       LYS  11  -2.697  -2.409   4.261
   61    HB2  LYS  11          1HB       LYS  11  -2.907  -5.051   2.783
   62    HB3  LYS  11          2HB       LYS  11  -2.435  -4.830   4.469
   63    HG2  LYS  11          1HG       LYS  11  -4.750  -3.597   4.663
   64    HG3  LYS  11          2HG       LYS  11  -5.145  -4.547   3.219
   65    HD2  LYS  11          1HD       LYS  11  -4.084  -5.658   5.847
   66    HD3  LYS  11          2HD       LYS  11  -5.785  -5.649   5.363
   67    HE2  LYS  11          1HE       LYS  11  -5.245  -7.081   3.423
   68    HE3  LYS  11          2HE       LYS  11  -3.536  -7.079   3.893
   69    HZ1  LYS  11          1HZ       LYS  11  -5.765  -8.111   5.579
   70    HZ2  LYS  11          2HZ       LYS  11  -4.689  -9.045   4.768
   71    HZ3  LYS  11          3HZ       LYS  11  -4.182  -8.107   6.016
   72    H    GLN  12           H        GLN  12  -1.079  -1.149   2.420
   73    HA   GLN  12           HA       GLN  12   1.441  -2.763   2.590
   74    HB2  GLN  12          1HB       GLN  12   0.572  -0.662   0.584
   75    HB3  GLN  12          2HB       GLN  12   2.243  -1.224   0.751
   76    HG2  GLN  12          1HG       GLN  12   1.655  -3.447   0.112
   77    HG3  GLN  12          2HG       GLN  12  -0.073  -3.069   0.180
   78   HE21  GLN  12          1HE2      GLN  12   1.564  -2.844  -3.341
   79   HE22  GLN  12          2HE2      GLN  12   1.907  -3.963  -2.035
   80    H    CYS  13           H        CYS  13   3.374  -1.489   3.106
   81    HA   CYS  13           HA       CYS  13   2.793   0.140   5.385
   82    HB2  CYS  13          1HB       CYS  13   5.189   0.526   5.527
   83    HB3  CYS  13          2HB       CYS  13   4.855  -1.174   5.195
   84    H    LEU  14           H        LEU  14   2.472   2.232   5.679
   85    HA   LEU  14           HA       LEU  14   2.885   4.073   3.380
   86    HB2  LEU  14          1HB       LEU  14   0.691   4.023   4.533
   87    HB3  LEU  14          2HB       LEU  14   1.482   4.458   6.045
   88    HG   LEU  14           HG       LEU  14   2.115   6.642   5.108
   89   HD11  LEU  14          1HD1      LEU  14   2.230   6.114   2.714
   90   HD12  LEU  14          2HD1      LEU  14   0.480   5.781   2.690
   91   HD13  LEU  14          3HD1      LEU  14   1.074   7.425   3.009
   92   HD21  LEU  14          1HD2      LEU  14   0.022   6.312   6.367
   93   HD22  LEU  14          2HD2      LEU  14  -0.158   7.568   5.126
   94   HD23  LEU  14          3HD2      LEU  14  -0.835   5.949   4.849
   95    H    ILE  15           H        ILE  15   3.805   3.551   6.770
   96    HA   ILE  15           HA       ILE  15   6.024   5.521   6.389
   97    HB   ILE  15           HB       ILE  15   4.468   4.957   8.947
   98   HG12  ILE  15          1HG1      ILE  15   4.678   7.567   7.417
   99   HG13  ILE  15          2HG1      ILE  15   3.365   6.418   7.159
  100   HG21  ILE  15          1HG2      ILE  15   6.852   5.350   9.397
  101   HG22  ILE  15          2HG2      ILE  15   6.807   6.836   8.423
  102   HG23  ILE  15          3HG2      ILE  15   5.886   6.729   9.942
  103   HD11  ILE  15          1HD1      ILE  15   2.592   8.118   8.643
  104   HD12  ILE  15          2HD1      ILE  15   2.755   6.606   9.563
  105   HD13  ILE  15          3HD1      ILE  15   3.979   7.889   9.730
  106    H    PHE  16           H        PHE  16   4.919   2.596   8.165
  107    HA   PHE  16           HA       PHE  16   7.700   2.072   8.959
  108    HB2  PHE  16          1HB       PHE  16   5.094   0.681   9.629
  109    HB3  PHE  16          2HB       PHE  16   6.678   0.166  10.215
  110    HD1  PHE  16           HD1      PHE  16   7.798   1.320  11.987
  111    HD2  PHE  16           HD2      PHE  16   4.172   2.881  10.356
  112    HE1  PHE  16           HE1      PHE  16   7.689   2.968  13.818
  113    HE2  PHE  16           HE2      PHE  16   4.081   4.564  12.152
  114    HZ   PHE  16           HZ       PHE  16   5.836   4.607  13.898
  115    H    CYS  17           H        CYS  17   8.473   1.749   6.786
  116    HA   CYS  17           HA       CYS  17   7.638  -0.787   5.491
  117    HB2  CYS  17          1HB       CYS  17   9.436   1.487   4.534
  118    HB3  CYS  17          2HB       CYS  17   9.090   0.024   3.596
  119    HC   CYS  17           HC       CYS  17   9.579  -1.931   6.365
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1   2.931   0.146  -1.377
    2    HA2  GLY   1          1HA       GLY   1   4.060   2.347   0.050
    3    HA3  GLY   1          2HA       GLY   1   3.919   0.941   1.113
    4    H    GLY   2           H        GLY   2   4.452  -1.139  -0.753
    5    HA2  GLY   2          1HA       GLY   2   6.156  -1.572  -2.458
    6    HA3  GLY   2          2HA       GLY   2   7.217  -0.441  -1.633
    7    H    GLY   3           H        GLY   3   6.609  -1.555   1.079
    8    HA2  GLY   3          1HA       GLY   3   7.408  -4.330   1.023
    9    HA3  GLY   3          2HA       GLY   3   8.791  -3.264   1.276
   10    H    GLY   4           H        GLY   4   5.605  -4.190   2.546
   11    HA2  GLY   4          1HA       GLY   4   6.050  -4.630   5.141
   12    HA3  GLY   4          2HA       GLY   4   6.161  -2.858   5.114
   13    H    ARG   5           H        ARG   5   4.218  -3.300   6.647
   14    HA   ARG   5           HA       ARG   5   1.755  -3.096   5.002
   15    HB2  ARG   5          1HB       ARG   5   2.240  -5.056   7.253
   16    HB3  ARG   5          2HB       ARG   5   0.628  -4.432   6.913
   17    HG2  ARG   5          1HG       ARG   5   0.484  -6.250   5.600
   18    HG3  ARG   5          2HG       ARG   5   1.256  -5.180   4.424
   19    HD2  ARG   5          1HD       ARG   5   3.482  -6.102   5.168
   20    HD3  ARG   5          2HD       ARG   5   2.605  -7.282   6.152
   21    HE   ARG   5           HE       ARG   5   2.904  -7.225   3.240
   22   HH11  ARG   5          1HH1      ARG   5   1.038  -8.632   5.903
   23   HH12  ARG   5          2HH1      ARG   5   0.476  -9.956   4.897
   24   HH21  ARG   5          1HH2      ARG   5   2.166  -8.923   2.065
   25   HH22  ARG   5          2HH2      ARG   5   1.101 -10.122   2.782
   26    H    GLY   6           H        GLY   6   0.041  -1.992   5.920
   27    HA2  GLY   6          1HA       GLY   6  -0.672  -0.876   8.132
   28    HA3  GLY   6          2HA       GLY   6   0.914  -0.097   8.047
   29    H    TYR   7           H        TYR   7  -2.233  -0.409   6.484
   30    HA   TYR   7           HA       TYR   7  -3.487   1.019   5.289
   31    HB2  TYR   7          1HB       TYR   7  -2.161   2.649   7.007
   32    HB3  TYR   7          2HB       TYR   7  -1.778   3.418   5.479
   33    HD1  TYR   7           HD1      TYR   7  -4.315   2.806   7.981
   34    HD2  TYR   7           HD2      TYR   7  -3.745   4.058   3.929
   35    HE1  TYR   7           HE1      TYR   7  -6.559   3.824   7.976
   36    HE2  TYR   7           HE2      TYR   7  -5.976   5.107   3.945
   37    HH   TYR   7           HH       TYR   7  -8.096   5.018   6.813
   38    H    GLU   8           H        GLU   8  -1.355   3.253   3.904
   39    HA   GLU   8           HA       GLU   8  -0.747   3.570   1.733
   40    HB2  GLU   8          1HB       GLU   8   0.767   1.524   2.629
   41    HB3  GLU   8          2HB       GLU   8  -0.083   0.653   1.367
   42    HG2  GLU   8          1HG       GLU   8   0.777   3.128   0.189
   43    HG3  GLU   8          2HG       GLU   8   2.127   2.568   1.163
   44    H    TYR   9           H        TYR   9  -0.802   1.901  -0.526
   45    HA   TYR   9           HA       TYR   9  -3.489   2.457  -1.382
   46    HB2  TYR   9          1HB       TYR   9  -1.321   2.526  -2.715
   47    HB3  TYR   9          2HB       TYR   9  -1.362   0.766  -2.743
   48    HD1  TYR   9           HD1      TYR   9  -3.090   3.836  -3.923
   49    HD2  TYR   9           HD2      TYR   9  -2.836  -0.423  -4.240
   50    HE1  TYR   9           HE1      TYR   9  -4.405   3.909  -6.007
   51    HE2  TYR   9           HE2      TYR   9  -4.156  -0.343  -6.324
   52    HH   TYR   9           HH       TYR   9  -5.299   2.729  -7.729
   53    H    ASN  10           H        ASN  10  -1.742  -0.551  -0.613
   54    HA   ASN  10           HA       ASN  10  -4.363  -1.954  -0.553
   55    HB2  ASN  10          1HB       ASN  10  -3.089  -2.225  -2.775
   56    HB3  ASN  10          2HB       ASN  10  -1.946  -3.222  -1.859
   57   HD21  ASN  10          1HD2      ASN  10  -5.517  -4.685  -3.078
   58   HD22  ASN  10          2HD2      ASN  10  -4.990  -3.052  -3.437
   59    H    LYS  11           H        LYS  11  -3.583  -1.256   1.715
   60    HA   LYS  11           HA       LYS  11  -3.050  -1.901   3.814
   61    HB2  LYS  11          1HB       LYS  11  -3.012  -4.715   2.685
   62    HB3  LYS  11          2HB       LYS  11  -3.143  -4.278   4.386
   63    HG2  LYS  11          1HG       LYS  11  -5.193  -3.640   2.239
   64    HG3  LYS  11          2HG       LYS  11  -5.295  -4.959   3.412
   65    HD2  LYS  11          1HD       LYS  11  -5.258  -3.288   5.258
   66    HD3  LYS  11          2HD       LYS  11  -5.280  -1.986   4.054
   67    HE2  LYS  11          1HE       LYS  11  -7.408  -4.136   4.311
   68    HE3  LYS  11          2HE       LYS  11  -7.519  -2.522   5.028
   69    HZ1  LYS  11          1HZ       LYS  11  -7.208  -3.061   2.118
   70    HZ2  LYS  11          2HZ       LYS  11  -8.611  -2.606   2.840
   71    HZ3  LYS  11          3HZ       LYS  11  -7.336  -1.571   2.792
   72    H    GLN  12           H        GLN  12  -0.881  -1.640   1.651
   73    HA   GLN  12           HA       GLN  12   1.382  -3.052   2.897
   74    HB2  GLN  12          1HB       GLN  12   1.119  -1.078   0.616
   75    HB3  GLN  12          2HB       GLN  12   2.683  -1.679   1.187
   76    HG2  GLN  12          1HG       GLN  12   2.057  -3.958   0.652
   77    HG3  GLN  12          2HG       GLN  12   0.443  -3.420   0.155
   78   HE21  GLN  12          1HE2      GLN  12   1.735  -3.407  -3.121
   79   HE22  GLN  12          2HE2      GLN  12   0.676  -4.197  -1.968
   80    H    CYS  13           H        CYS  13   3.383  -1.245   2.904
   81    HA   CYS  13           HA       CYS  13   2.888   0.172   5.370
   82    HB2  CYS  13          1HB       CYS  13   5.304   0.989   4.760
   83    HB3  CYS  13          2HB       CYS  13   5.022  -0.695   5.229
   84    H    LEU  14           H        LEU  14   1.587   2.034   5.243
   85    HA   LEU  14           HA       LEU  14   2.383   4.222   3.509
   86    HB2  LEU  14          1HB       LEU  14   0.156   3.962   4.627
   87    HB3  LEU  14          2HB       LEU  14   0.930   4.282   6.173
   88    HG   LEU  14           HG       LEU  14   1.499   6.564   5.417
   89   HD11  LEU  14          1HD1      LEU  14   1.647   6.261   3.004
   90   HD12  LEU  14          2HD1      LEU  14  -0.065   5.775   2.923
   91   HD13  LEU  14          3HD1      LEU  14   0.375   7.440   3.364
   92   HD21  LEU  14          1HD2      LEU  14  -0.801   7.410   5.508
   93   HD22  LEU  14          2HD2      LEU  14  -1.429   5.805   5.073
   94   HD23  LEU  14          3HD2      LEU  14  -0.599   6.049   6.631
   95    H    ILE  15           H        ILE  15   3.236   3.128   6.766
   96    HA   ILE  15           HA       ILE  15   5.342   5.256   6.854
   97    HB   ILE  15           HB       ILE  15   3.911   3.984   9.225
   98   HG12  ILE  15          1HG1      ILE  15   3.716   6.866   8.304
   99   HG13  ILE  15          2HG1      ILE  15   2.546   5.634   7.826
  100   HG21  ILE  15          1HG2      ILE  15   5.139   5.667  10.560
  101   HG22  ILE  15          2HG2      ILE  15   6.255   4.602   9.696
  102   HG23  ILE  15          3HG2      ILE  15   5.952   6.245   9.088
  103   HD11  ILE  15          1HD1      ILE  15   1.651   6.842   9.686
  104   HD12  ILE  15          2HD1      ILE  15   2.056   5.195  10.223
  105   HD13  ILE  15          3HD1      ILE  15   3.116   6.556  10.651
  106    H    PHE  16           H        PHE  16   4.473   1.924   7.877
  107    HA   PHE  16           HA       PHE  16   7.228   1.574   8.866
  108    HB2  PHE  16          1HB       PHE  16   4.875  -0.327   9.080
  109    HB3  PHE  16          2HB       PHE  16   6.356  -0.333  10.043
  110    HD1  PHE  16           HD1      PHE  16   2.976   0.589  10.003
  111    HD2  PHE  16           HD2      PHE  16   6.785   1.990  11.347
  112    HE1  PHE  16           HE1      PHE  16   1.856   2.115  11.581
  113    HE2  PHE  16           HE2      PHE  16   5.668   3.545  12.897
  114    HZ   PHE  16           HZ       PHE  16   3.200   3.610  13.023
  115    H    CYS  17           H        CYS  17   8.218   1.552   6.767
  116    HA   CYS  17           HA       CYS  17   7.445  -0.733   5.007
  117    HB2  CYS  17          1HB       CYS  17   7.179   1.911   4.438
  118    HB3  CYS  17          2HB       CYS  17   8.855   1.685   3.919
  119    HC   CYS  17           HC       CYS  17   9.727  -1.475   4.830
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1   2.031   0.527  -2.817
    2    HA2  GLY   1          1HA       GLY   1   3.583   2.167  -3.243
    3    HA3  GLY   1          2HA       GLY   1   2.987   3.101  -1.878
    4    H    GLY   2           H        GLY   2   4.130  -0.253  -1.452
    5    HA2  GLY   2          1HA       GLY   2   6.845   0.396  -0.910
    6    HA3  GLY   2          2HA       GLY   2   5.915   0.496   0.587
    7    H    GLY   3           H        GLY   3   6.613  -1.231   1.692
    8    HA2  GLY   3          1HA       GLY   3   5.881  -3.882   0.661
    9    HA3  GLY   3          2HA       GLY   3   7.609  -3.624   0.970
   10    H    GLY   4           H        GLY   4   5.256  -5.223   2.279
   11    HA2  GLY   4          1HA       GLY   4   5.264  -5.945   4.606
   12    HA3  GLY   4          2HA       GLY   4   5.757  -4.301   5.079
   13    H    ARG   5           H        ARG   5   3.912  -3.849   6.402
   14    HA   ARG   5           HA       ARG   5   1.512  -3.241   4.804
   15    HB2  ARG   5          1HB       ARG   5  -0.020  -4.277   6.356
   16    HB3  ARG   5          2HB       ARG   5   1.076  -5.473   5.678
   17    HG2  ARG   5          1HG       ARG   5   2.077  -4.383   8.204
   18    HG3  ARG   5          2HG       ARG   5   0.464  -5.086   8.371
   19    HD2  ARG   5          1HD       ARG   5   2.821  -6.501   7.085
   20    HD3  ARG   5          2HD       ARG   5   2.360  -6.678   8.787
   21    HE   ARG   5           HE       ARG   5   0.071  -7.221   7.238
   22   HH11  ARG   5          1HH1      ARG   5   3.245  -8.684   7.790
   23   HH12  ARG   5          2HH1      ARG   5   2.656 -10.289   7.391
   24   HH21  ARG   5          1HH2      ARG   5  -0.590  -9.274   6.773
   25   HH22  ARG   5          2HH2      ARG   5   0.533 -10.622   6.864
   26    H    GLY   6           H        GLY   6   0.215  -1.609   5.578
   27    HA2  GLY   6          1HA       GLY   6  -0.193  -0.327   7.829
   28    HA3  GLY   6          2HA       GLY   6   1.515   0.091   7.633
   29    H    TYR   7           H        TYR   7  -1.738   0.610   6.499
   30    HA   TYR   7           HA       TYR   7  -2.697   2.256   5.277
   31    HB2  TYR   7          1HB       TYR   7  -0.624   3.523   6.539
   32    HB3  TYR   7          2HB       TYR   7  -0.315   3.958   4.872
   33    HD1  TYR   7           HD1      TYR   7  -2.541   4.334   7.747
   34    HD2  TYR   7           HD2      TYR   7  -2.083   5.243   3.591
   35    HE1  TYR   7           HE1      TYR   7  -4.329   6.022   7.914
   36    HE2  TYR   7           HE2      TYR   7  -3.854   6.946   3.772
   37    HH   TYR   7           HH       TYR   7  -5.351   7.998   5.133
   38    H    GLU   8           H        GLU   8  -0.920   3.791   3.207
   39    HA   GLU   8           HA       GLU   8  -0.218   3.644   1.080
   40    HB2  GLU   8          1HB       GLU   8   1.226   1.763   2.282
   41    HB3  GLU   8          2HB       GLU   8   0.276   0.666   1.298
   42    HG2  GLU   8          1HG       GLU   8   1.432   3.036  -0.153
   43    HG3  GLU   8          2HG       GLU   8   2.610   1.903   0.499
   44    H    TYR   9           H        TYR   9  -2.915   2.085   2.026
   45    HA   TYR   9           HA       TYR   9  -4.609   0.865   1.080
   46    HB2  TYR   9          1HB       TYR   9  -3.556   1.719  -1.636
   47    HB3  TYR   9          2HB       TYR   9  -5.128   1.012  -1.282
   48    HD1  TYR   9           HD1      TYR   9  -6.848   2.338  -0.023
   49    HD2  TYR   9           HD2      TYR   9  -3.162   4.082  -1.316
   50    HE1  TYR   9           HE1      TYR   9  -7.816   4.591   0.242
   51    HE2  TYR   9           HE2      TYR   9  -4.136   6.332  -1.049
   52    HH   TYR   9           HH       TYR   9  -7.497   6.831   0.030
   53    H    ASN  10           H        ASN  10  -4.856  -1.027  -0.713
   54    HA   ASN  10           HA       ASN  10  -4.181  -3.113  -1.374
   55    HB2  ASN  10          1HB       ASN  10  -2.687  -1.480  -2.711
   56    HB3  ASN  10          2HB       ASN  10  -1.389  -1.986  -1.621
   57   HD21  ASN  10          1HD2      ASN  10  -0.677  -4.504  -3.948
   58   HD22  ASN  10          2HD2      ASN  10  -0.144  -3.056  -3.110
   59    H    LYS  11           H        LYS  11  -3.787  -2.337   1.527
   60    HA   LYS  11           HA       LYS  11  -2.970  -3.223   3.473
   61    HB2  LYS  11          1HB       LYS  11  -2.542  -5.719   1.796
   62    HB3  LYS  11          2HB       LYS  11  -2.585  -5.650   3.553
   63    HG2  LYS  11          1HG       LYS  11  -4.936  -5.000   1.745
   64    HG3  LYS  11          2HG       LYS  11  -4.643  -6.557   2.533
   65    HD2  LYS  11          1HD       LYS  11  -4.721  -5.424   4.749
   66    HD3  LYS  11          2HD       LYS  11  -5.137  -3.906   3.928
   67    HE2  LYS  11          1HE       LYS  11  -7.145  -4.991   2.967
   68    HE3  LYS  11          2HE       LYS  11  -6.731  -6.491   3.810
   69    HZ1  LYS  11          1HZ       LYS  11  -7.295  -3.888   5.149
   70    HZ2  LYS  11          2HZ       LYS  11  -8.324  -5.166   5.101
   71    HZ3  LYS  11          3HZ       LYS  11  -6.912  -5.287   5.925
   72    H    GLN  12           H        GLN  12  -1.043  -1.938   1.581
   73    HA   GLN  12           HA       GLN  12   1.441  -3.424   2.247
   74    HB2  GLN  12          1HB       GLN  12   0.470  -2.059  -0.056
   75    HB3  GLN  12          2HB       GLN  12   1.848  -1.134   0.545
   76    HG2  GLN  12          1HG       GLN  12   3.271  -3.102   0.425
   77    HG3  GLN  12          2HG       GLN  12   1.887  -4.106  -0.045
   78   HE21  GLN  12          1HE2      GLN  12   2.529  -3.579  -3.419
   79   HE22  GLN  12          2HE2      GLN  12   1.976  -4.631  -2.129
   80    H    CYS  13           H        CYS  13   3.405  -1.824   2.490
   81    HA   CYS  13           HA       CYS  13   2.731  -0.109   4.806
   82    HB2  CYS  13          1HB       CYS  13   4.559  -1.738   5.042
   83    HB3  CYS  13          2HB       CYS  13   5.364  -1.044   3.625
   84    H    LEU  14           H        LEU  14   2.623   2.020   4.741
   85    HA   LEU  14           HA       LEU  14   4.085   3.477   2.596
   86    HB2  LEU  14          1HB       LEU  14   1.623   3.839   2.991
   87    HB3  LEU  14          2HB       LEU  14   2.023   4.474   4.579
   88    HG   LEU  14           HG       LEU  14   3.321   6.306   3.453
   89   HD11  LEU  14          1HD1      LEU  14   2.814   6.744   1.063
   90   HD12  LEU  14          2HD1      LEU  14   3.752   5.254   1.283
   91   HD13  LEU  14          3HD1      LEU  14   2.005   5.163   0.956
   92   HD21  LEU  14          1HD2      LEU  14   1.019   6.586   4.284
   93   HD22  LEU  14          2HD2      LEU  14   1.294   7.544   2.815
   94   HD23  LEU  14          3HD2      LEU  14   0.380   6.021   2.721
   95    H    ILE  15           H        ILE  15   3.778   3.246   6.148
   96    HA   ILE  15           HA       ILE  15   5.993   5.237   6.398
   97    HB   ILE  15           HB       ILE  15   3.496   4.995   8.122
   98   HG12  ILE  15          1HG1      ILE  15   2.995   6.044   5.975
   99   HG13  ILE  15          2HG1      ILE  15   2.854   7.172   7.312
  100   HG21  ILE  15          1HG2      ILE  15   5.832   6.928   8.332
  101   HG22  ILE  15          2HG2      ILE  15   4.311   7.056   9.240
  102   HG23  ILE  15          3HG2      ILE  15   5.375   5.665   9.499
  103   HD11  ILE  15          1HD1      ILE  15   4.954   8.247   6.703
  104   HD12  ILE  15          2HD1      ILE  15   5.214   7.060   5.406
  105   HD13  ILE  15          3HD1      ILE  15   3.852   8.195   5.313
  106    H    PHE  16           H        PHE  16   7.709   4.246   7.221
  107    HA   PHE  16           HA       PHE  16   9.047   3.165   8.723
  108    HB2  PHE  16          1HB       PHE  16   6.816   4.221  10.425
  109    HB3  PHE  16          2HB       PHE  16   8.064   3.211  11.151
  110    HD1  PHE  16           HD1      PHE  16  10.077   4.118  11.853
  111    HD2  PHE  16           HD2      PHE  16   7.715   6.269   9.016
  112    HE1  PHE  16           HE1      PHE  16  11.583   6.057  12.068
  113    HE2  PHE  16           HE2      PHE  16   9.194   8.214   9.243
  114    HZ   PHE  16           HZ       PHE  16  11.132   8.124  10.780
  115    H    CYS  17           H        CYS  17   7.966   1.319   7.212
  116    HA   CYS  17           HA       CYS  17   6.276  -0.617   8.072
  117    HB2  CYS  17          1HB       CYS  17   8.978  -1.344   6.862
  118    HB3  CYS  17          2HB       CYS  17   7.416  -2.153   6.630
  119    HC   CYS  17           HC       CYS  17   7.882  -0.813  10.287
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1   1.103   2.105  -2.761
    2    HA2  GLY   1          1HA       GLY   1   1.925   0.132  -0.985
    3    HA3  GLY   1          2HA       GLY   1   2.393   0.255  -2.665
    4    H    GLY   2           H        GLY   2   3.975  -0.952  -0.766
    5    HA2  GLY   2          1HA       GLY   2   6.415   0.605  -0.975
    6    HA3  GLY   2          2HA       GLY   2   5.789   0.506   0.680
    7    H    GLY   3           H        GLY   3   7.075  -0.870   1.711
    8    HA2  GLY   3          1HA       GLY   3   7.743  -3.455   0.359
    9    HA3  GLY   3          2HA       GLY   3   8.905  -2.520   1.300
   10    H    GLY   4           H        GLY   4   5.578  -3.833   1.779
   11    HA2  GLY   4          1HA       GLY   4   5.995  -5.788   3.591
   12    HA3  GLY   4          2HA       GLY   4   6.253  -4.355   4.592
   13    H    ARG   5           H        ARG   5   4.414  -4.553   5.901
   14    HA   ARG   5           HA       ARG   5   1.799  -4.459   4.468
   15    HB2  ARG   5          1HB       ARG   5   0.822  -5.799   6.193
   16    HB3  ARG   5          2HB       ARG   5   2.240  -6.625   5.543
   17    HG2  ARG   5          1HG       ARG   5   3.551  -5.768   7.523
   18    HG3  ARG   5          2HG       ARG   5   2.015  -5.198   8.210
   19    HD2  ARG   5          1HD       ARG   5   1.134  -7.533   8.029
   20    HD3  ARG   5          2HD       ARG   5   2.718  -8.046   7.419
   21    HE   ARG   5           HE       ARG   5   3.035  -6.689   9.913
   22   HH11  ARG   5          1HH1      ARG   5   1.896  -9.788   8.640
   23   HH12  ARG   5          2HH1      ARG   5   2.283 -10.628  10.131
   24   HH21  ARG   5          1HH2      ARG   5   3.499  -7.826  11.751
   25   HH22  ARG   5          2HH2      ARG   5   3.186  -9.550  11.843
   26    H    GLY   6           H        GLY   6   0.028  -3.429   5.593
   27    HA2  GLY   6          1HA       GLY   6  -0.112  -2.092   7.896
   28    HA3  GLY   6          2HA       GLY   6   0.964  -1.017   7.014
   29    H    TYR   7           H        TYR   7   0.086  -0.082   4.931
   30    HA   TYR   7           HA       TYR   7  -2.843   0.281   4.964
   31    HB2  TYR   7          1HB       TYR   7  -1.868   1.600   6.876
   32    HB3  TYR   7          2HB       TYR   7  -0.986   2.559   5.684
   33    HD1  TYR   7           HD1      TYR   7  -4.251   1.918   7.221
   34    HD2  TYR   7           HD2      TYR   7  -2.240   3.967   4.061
   35    HE1  TYR   7           HE1      TYR   7  -6.239   3.336   6.878
   36    HE2  TYR   7           HE2      TYR   7  -4.207   5.446   3.767
   37    HH   TYR   7           HH       TYR   7  -7.176   5.035   5.706
   38    H    GLU   8           H        GLU   8   0.300   1.063   3.563
   39    HA   GLU   8           HA       GLU   8  -0.346   3.072   1.762
   40    HB2  GLU   8          1HB       GLU   8   1.922   1.801   2.305
   41    HB3  GLU   8          2HB       GLU   8   1.488   0.793   0.939
   42    HG2  GLU   8          1HG       GLU   8   1.800   3.835   0.900
   43    HG3  GLU   8          2HG       GLU   8   3.001   2.707   0.318
   44    H    TYR   9           H        TYR   9  -1.806   3.302   0.392
   45    HA   TYR   9           HA       TYR   9  -3.319   3.013  -1.242
   46    HB2  TYR   9          1HB       TYR   9  -1.272   1.976  -2.411
   47    HB3  TYR   9          2HB       TYR   9  -2.052   0.420  -2.104
   48    HD1  TYR   9           HD1      TYR   9  -2.388   3.676  -3.864
   49    HD2  TYR   9           HD2      TYR   9  -4.010  -0.251  -3.370
   50    HE1  TYR   9           HE1      TYR   9  -3.875   4.042  -5.798
   51    HE2  TYR   9           HE2      TYR   9  -5.489   0.118  -5.307
   52    HH   TYR   9           HH       TYR   9  -5.508   3.182  -7.129
   53    H    ASN  10           H        ASN  10  -2.628  -0.141   0.252
   54    HA   ASN  10           HA       ASN  10  -5.449  -0.195   1.138
   55    HB2  ASN  10          1HB       ASN  10  -4.054  -2.468  -0.335
   56    HB3  ASN  10          2HB       ASN  10  -5.487  -2.708   0.678
   57   HD21  ASN  10          1HD2      ASN  10  -7.617  -0.815  -1.605
   58   HD22  ASN  10          2HD2      ASN  10  -7.263  -0.879   0.110
   59    H    LYS  11           H        LYS  11  -2.557  -2.323   1.237
   60    HA   LYS  11           HA       LYS  11  -2.486  -2.061   4.180
   61    HB2  LYS  11          1HB       LYS  11  -3.001  -4.659   2.709
   62    HB3  LYS  11          2HB       LYS  11  -2.479  -4.581   4.389
   63    HG2  LYS  11          1HG       LYS  11  -5.059  -3.387   3.352
   64    HG3  LYS  11          2HG       LYS  11  -4.896  -4.972   4.121
   65    HD2  LYS  11          1HD       LYS  11  -3.947  -3.843   6.148
   66    HD3  LYS  11          2HD       LYS  11  -4.314  -2.281   5.405
   67    HE2  LYS  11          1HE       LYS  11  -6.352  -4.445   6.033
   68    HE3  LYS  11          2HE       LYS  11  -6.029  -3.020   7.030
   69    HZ1  LYS  11          1HZ       LYS  11  -7.023  -2.977   4.227
   70    HZ2  LYS  11          2HZ       LYS  11  -7.889  -2.561   5.564
   71    HZ3  LYS  11          3HZ       LYS  11  -6.617  -1.639   5.077
   72    H    GLN  12           H        GLN  12  -0.516  -1.275   2.136
   73    HA   GLN  12           HA       GLN  12   1.644  -3.193   2.879
   74    HB2  GLN  12          1HB       GLN  12   1.356  -1.278   0.586
   75    HB3  GLN  12          2HB       GLN  12   2.953  -1.813   1.131
   76    HG2  GLN  12          1HG       GLN  12   2.105  -4.197   0.903
   77    HG3  GLN  12          2HG       GLN  12   0.705  -3.513   0.063
   78   HE21  GLN  12          1HE2      GLN  12   3.698  -4.475  -2.195
   79   HE22  GLN  12          2HE2      GLN  12   3.001  -5.301  -0.816
   80    H    CYS  13           H        CYS  13   3.858  -2.168   3.225
   81    HA   CYS  13           HA       CYS  13   3.646  -0.472   5.510
   82    HB2  CYS  13          1HB       CYS  13   5.931  -1.386   3.783
   83    HB3  CYS  13          2HB       CYS  13   6.188  -0.043   4.899
   84    H    LEU  14           H        LEU  14   3.102   1.575   5.611
   85    HA   LEU  14           HA       LEU  14   3.362   3.338   3.267
   86    HB2  LEU  14          1HB       LEU  14   1.317   3.238   4.680
   87    HB3  LEU  14          2HB       LEU  14   2.253   3.799   6.054
   88    HG   LEU  14           HG       LEU  14   2.562   5.984   4.989
   89   HD11  LEU  14          1HD1      LEU  14   0.819   4.865   2.764
   90   HD12  LEU  14          2HD1      LEU  14   1.288   6.567   2.962
   91   HD13  LEU  14          3HD1      LEU  14   2.529   5.349   2.620
   92   HD21  LEU  14          1HD2      LEU  14   0.225   6.702   5.170
   93   HD22  LEU  14          2HD2      LEU  14  -0.322   5.019   5.012
   94   HD23  LEU  14          3HD2      LEU  14   0.618   5.523   6.437
   95    H    ILE  15           H        ILE  15   5.743   2.694   3.695
   96    HA   ILE  15           HA       ILE  15   7.868   3.418   4.023
   97    HB   ILE  15           HB       ILE  15   6.792   5.962   5.292
   98   HG12  ILE  15          1HG1      ILE  15   7.648   5.599   2.404
   99   HG13  ILE  15          2HG1      ILE  15   5.961   5.522   2.918
  100   HG21  ILE  15          1HG2      ILE  15   9.172   5.445   5.744
  101   HG22  ILE  15          2HG2      ILE  15   9.472   5.309   3.998
  102   HG23  ILE  15          3HG2      ILE  15   9.000   6.869   4.709
  103   HD11  ILE  15          1HD1      ILE  15   7.804   7.910   3.138
  104   HD12  ILE  15          2HD1      ILE  15   6.374   7.721   2.100
  105   HD13  ILE  15          3HD1      ILE  15   6.184   7.823   3.866
  106    H    PHE  16           H        PHE  16   5.784   4.272   6.783
  107    HA   PHE  16           HA       PHE  16   8.017   3.682   8.637
  108    HB2  PHE  16          1HB       PHE  16   5.306   4.834   9.322
  109    HB3  PHE  16          2HB       PHE  16   6.817   4.989  10.221
  110    HD1  PHE  16           HD1      PHE  16   4.586   6.604   8.045
  111    HD2  PHE  16           HD2      PHE  16   8.770   6.216   8.828
  112    HE1  PHE  16           HE1      PHE  16   5.009   8.672   6.781
  113    HE2  PHE  16           HE2      PHE  16   9.201   8.273   7.541
  114    HZ   PHE  16           HZ       PHE  16   7.322   9.510   6.515
  115    H    CYS  17           H        CYS  17   5.996   1.765   7.181
  116    HA   CYS  17           HA       CYS  17   4.590  -0.034   7.722
  117    HB2  CYS  17          1HB       CYS  17   6.998  -0.420   9.560
  118    HB3  CYS  17          2HB       CYS  17   5.806  -1.688   9.185
  119    HC   CYS  17           HC       CYS  17   4.615   0.928  10.665