*HEADER    TOXIN                                   29-APR-20   6WQR              
*TITLE     NMR SOLUTION STRUCTURE OF LEECH PEPTIDE HSTX-I                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HSTX-I;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HAEMADIPSA SYLVESTRIS;                          
*SOURCE   4 ORGANISM_COMMON: INDIAN LEECH;                                       
*SOURCE   5 ORGANISM_TAXID: 13555                                                
*KEYWDS    DISULFIDE-RICH, ANTIPARALLEL BETA-SHEET, HYDROPHOBIC, TOXIN           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    21                                                                    
*AUTHOR    C.I.SCHROEDER,K.L.MCMAHON                                             
*REVDAT   1   24-JUN-20 6WQR    0                                                
# Restraints file 1: restraints.tbl
#distance restraints
assign (resid 17    and name HA2  ) (resid 18    and name HN   )    3.55    3.55    0.00
assign (resid 17    and name HA1  ) (resid 18    and name HN   )    3.55    3.55    0.00
assign (resid 17    and name HN   ) (resid 18    and name HN   )    3.17    3.17    0.00
assign (resid 18    and name HA   ) (resid 19    and name HN   )    2.46    2.46    0.00
assign (resid 19    and name HN   ) (resid 19    and name HB1  )    3.58    3.58    0.00
assign (resid 19    and name HN   ) (resid 19    and name HB2  )    3.58    3.58    0.00
assign (resid 19    and name HA   ) (resid 20    and name HN   )    2.71    2.71    0.00
assign (resid 16    and name HA   ) (resid 17    and name HN   )    3.17    3.17    0.00
assign (resid 16    and name HN   ) (resid 16    and name HA   )    2.59    2.59    0.00
assign (resid 15    and name HA   ) (resid 16    and name HN   )    2.43    2.43    0.00
assign (resid 14    and name HA   ) (resid 15    and name HN   )    2.40    2.40    0.00
assign (resid 8     and name HA   ) (resid 9     and name HN   )    3.45    3.45    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB1  )    3.48    3.48    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB2  )    3.48    3.48    0.00
assign (resid 10    and name HA   ) (resid 11    and name HN   )    3.30    3.30    0.00
assign (resid 5     and name HA   ) (resid 6     and name HN   )    3.39    3.39    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB2  )    3.02    3.02    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB1  )    3.02    3.02    0.00
assign (resid 12    and name HA   ) (resid 13    and name HN   )    3.17    3.17    0.00
assign (resid 13    and name HA   ) (resid 14    and name HN   )    3.33    3.33    0.00
assign (resid 7     and name HA   ) (resid 8     and name HN   )    3.33    3.33    0.00
assign (resid 4     and name HA   ) (resid 5     and name HN   )    2.62    2.62    0.00
assign (resid 4     and name HN   ) (resid 4     and name HB1  )    3.61    3.61    0.00
assign (resid 4     and name HN   ) (resid 4     and name HB2  )    3.61    3.61    0.00
assign (resid 2     and name HB1  ) (resid 3     and name HN   )    3.98    3.98    0.00
assign (resid 2     and name HB2  ) (resid 3     and name HN   )    3.98    3.98    0.00
assign (resid 21    and name HA   ) (resid 22    and name HN   )    2.43    2.43    0.00
assign (resid 22    and name HN   ) (resid 22    and name HA   )    2.68    2.68    0.00
assign (resid 22    and name HN   ) (resid 22    and name HB1  )    3.21    3.21    0.00
assign (resid 22    and name HA   ) (resid 23    and name HN   )    2.77    2.77    0.00
assign (resid 23    and name HN   ) (resid 23    and name HB   )    3.08    3.08    0.00
assign (resid 22    and name HN   ) (resid 22    and name HB2  )    3.21    3.21    0.00
assign (resid 20    and name HN   ) (resid 20    and name HB   )    4.11    4.11    0.00
assign (resid 16    and name HN   ) (resid 16    and name HB2  )    3.95    3.95    0.00
assign (resid 16    and name HN   ) (resid 16    and name HB1  )    3.95    3.95    0.00
assign (resid 8     and name HN   ) (resid 9     and name HN   )    3.11    3.11    0.00
assign (resid 18    and name HN   ) (resid 18    and name HB   )    2.96    2.96    0.00
assign (resid 14    and name HB1  ) (resid 15    and name HN   )    3.92    3.92    0.00
assign (resid 14    and name HB2  ) (resid 15    and name HN   )    3.92    3.92    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB   )    3.39    3.39    0.00
assign (resid 15    and name HB   ) (resid 16    and name HN   )    4.17    4.17    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB1  )    3.39    3.39    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB2  )    3.39    3.39    0.00
assign (resid 5     and name HB1  ) (resid 6     and name HN   )    3.55    3.55    0.00
assign (resid 5     and name HB2  ) (resid 6     and name HN   )    3.55    3.55    0.00
assign (resid 6     and name HB1  ) (resid 7     and name HN   )    4.20    4.20    0.00
assign (resid 6     and name HB2  ) (resid 7     and name HN   )    4.20    4.20    0.00
assign (resid 2     and name HA   ) (resid 3     and name HN   )    2.74    2.74    0.00
assign (resid 3     and name HB#  ) (resid 4     and name HN   )    4.64    4.64    0.00
assign (resid 4     and name HB1  ) (resid 5     and name HN   )    4.14    4.14    0.00
assign (resid 4     and name HB2  ) (resid 5     and name HN   )    4.14    4.14    0.00
assign (resid 16    and name HN   ) (resid 17    and name HN   )    3.24    3.24    0.00
assign (resid 15    and name HN   ) (resid 16    and name HN   )    3.79    3.79    0.00
assign (resid 15    and name HN   ) (resid 18    and name HN   )    3.21    3.21    0.00
assign (resid 3     and name HN   ) (resid 4     and name HN   )    2.96    2.96    0.00
assign (resid 7     and name HN   ) (resid 8     and name HN   )    2.87    2.87    0.00
assign (resid 5     and name HA   ) (resid 5     and name HD#  )    6.67    6.67    0.00
assign (resid 22    and name HN   ) (resid 22    and name HG#  )    5.89    5.89    0.00
assign (resid 23    and name HN   ) (resid 23    and name HG11 )    5.50    5.50    0.00
assign (resid 23    and name HN   ) (resid 23    and name HG12 )    5.50    5.50    0.00
assign (resid 22    and name HG#  ) (resid 23    and name HN   )    6.38    6.38    0.00
assign (resid 20    and name HA   ) (resid 21    and name HD#  )    3.75    3.75    0.00
assign (resid 16    and name HN   ) (resid 16    and name HG1  )    4.60    4.60    0.00
assign (resid 16    and name HN   ) (resid 16    and name HG2  )    4.60    4.60    0.00
assign (resid 18    and name HN   ) (resid 18    and name HG11 )    4.01    4.01    0.00
assign (resid 18    and name HN   ) (resid 18    and name HG12 )    4.01    4.01    0.00
assign (resid 15    and name HN   ) (resid 15    and name HG1# )    6.38    6.38    0.00
assign (resid 15    and name HG1# ) (resid 16    and name HN   )    6.38    6.38    0.00
assign (resid 4     and name HN   ) (resid 4     and name HG#  )    6.07    6.07    0.00
assign (resid 3     and name HN   ) (resid 3     and name HG#  )    6.38    6.38    0.00
assign (resid 3     and name HA   ) (resid 3     and name HD#  )    6.38    6.38    0.00
assign (resid 3     and name HB#  ) (resid 3     and name HE#  )    7.26    7.26    0.00
assign (resid 3     and name HN   ) (resid 3     and name HD#  )    6.38    6.38    0.00
assign (resid 5     and name HN   ) (resid 5     and name HD#  )    7.63    7.63    0.00
assign (resid 20    and name HB   ) (resid 21    and name HD#  )    4.47    4.47    0.00
assign (resid 12    and name HG   ) (resid 19    and name HB1  )    3.45    3.45    0.00
assign (resid 12    and name HG   ) (resid 19    and name HB2  )    3.45    3.45    0.00
assign (resid 13    and name HD#  ) (resid 22    and name HG#  )    8.51    8.51    0.00
assign (resid 4     and name HB1  ) (resid 6     and name HE1  )    5.50    5.50    0.00
assign (resid 4     and name HB2  ) (resid 6     and name HE1  )    5.50    5.50    0.00
assign (resid 4     and name HG#  ) (resid 6     and name HE1  )    6.38    6.38    0.00
assign (resid 23    and name HN   ) (resid 23    and name HG2# )    6.52    6.52    0.00
assign (resid 23    and name HB   ) (resid 23    and name HD1# )    3.98    3.98    0.00
assign (resid 23    and name HG2# ) (resid 23    and name HD1# )    4.44    4.44    0.00
assign (resid 22    and name HE#  ) (resid 23    and name HN   )    4.69    4.69    0.00
assign (resid 18    and name HN   ) (resid 18    and name HD1# )    5.77    5.77    0.00
assign (resid 18    and name HB   ) (resid 18    and name HD1# )    3.42    3.42    0.00
assign (resid 18    and name HA   ) (resid 18    and name HD1# )    4.04    4.04    0.00
assign (resid 15    and name HN   ) (resid 15    and name HG2# )    5.25    5.25    0.00
assign (resid 15    and name HA   ) (resid 15    and name HD1# )    5.40    5.40    0.00
assign (resid 15    and name HB   ) (resid 15    and name HD1# )    4.04    4.04    0.00
assign (resid 15    and name HG2# ) (resid 15    and name HD1# )    4.44    4.44    0.00
assign (resid 15    and name HG2# ) (resid 16    and name HN   )    6.52    6.52    0.00
assign (resid 2     and name HB#  ) (resid 3     and name HN   )    3.47    3.47    0.00
assign (resid 4     and name HN   ) (resid 4     and name HB#  )    3.06    3.06    0.00
assign (resid 4     and name HB#  ) (resid 5     and name HN   )    3.35    3.35    0.00
assign (resid 4     and name HB#  ) (resid 6     and name HN   )    3.94    3.94    0.00
assign (resid 4     and name HB#  ) (resid 6     and name HE1  )    4.83    4.83    0.00
assign (resid 5     and name HB#  ) (resid 6     and name HN   )    2.96    2.96    0.00
assign (resid 6     and name HN   ) (resid 6     and name HB#  )    2.96    2.96    0.00
assign (resid 6     and name HB#  ) (resid 6     and name HE3  )    3.39    3.39    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB#  )    2.84    2.84    0.00
assign (resid 7     and name HN   ) (resid 7     and name HG#  )    4.73    4.73    0.00
assign (resid 7     and name HA   ) (resid 7     and name HG#  )    3.36    3.36    0.00
assign (resid 7     and name HB#  ) (resid 7     and name HG#  )    2.18    2.18    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB#  )    2.87    2.87    0.00
assign (resid 12    and name HB#  ) (resid 12    and name HG   )    2.60    2.60    0.00
assign (resid 12    and name HB#  ) (resid 13    and name HN   )    4.12    4.12    0.00
assign (resid 12    and name HB#  ) (resid 19    and name HB#  )    3.10    3.10    0.00
assign (resid 12    and name QHD# ) (resid 19    and name HB#  )    4.51    4.51    0.00
assign (resid 12    and name QHD# ) (resid 22    and name HB#  )    4.34    4.34    0.00
assign (resid 13    and name HB#  ) (resid 20    and name QHG# )    5.63    5.63    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB#  )    2.93    2.93    0.00
assign (resid 14    and name HA   ) (resid 14    and name HB#  )    2.58    2.58    0.00
assign (resid 14    and name HB#  ) (resid 15    and name HN   )    3.11    3.11    0.00
assign (resid 14    and name HB#  ) (resid 18    and name HN   )    4.15    4.15    0.00
assign (resid 16    and name HN   ) (resid 16    and name HB#  )    3.12    3.12    0.00
assign (resid 16    and name HN   ) (resid 16    and name HG#  )    3.78    3.78    0.00
assign (resid 16    and name HB#  ) (resid 17    and name HN   )    3.60    3.60    0.00
assign (resid 16    and name HB#  ) (resid 18    and name HN   )    3.49    3.49    0.00
assign (resid 17    and name HN   ) (resid 17    and name HA#  )    2.56    2.56    0.00
assign (resid 17    and name HA#  ) (resid 18    and name HN   )    3.10    3.10    0.00
assign (resid 18    and name HB   ) (resid 18    and name HG1# )    2.63    2.63    0.00
assign (resid 19    and name HN   ) (resid 19    and name HB#  )    2.80    2.80    0.00
assign (resid 19    and name HA   ) (resid 19    and name HB#  )    2.62    2.62    0.00
assign (resid 19    and name HB#  ) (resid 20    and name HN   )    3.53    3.53    0.00
assign (resid 21    and name HB#  ) (resid 22    and name HN   )    3.59    3.59    0.00
assign (resid 22    and name HB#  ) (resid 23    and name HN   )    3.21    3.21    0.00
#dihedral restraints
assign (resid 1     and name C    ) (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    )    1.0  -69.8   30.0 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    ) (resid 3     and name N    )    1.0  144.2   30.0 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name CB   ) (resid 2     and name SG   )    1.0  -60.0   30.0 2
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0  -77.1   30.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  -24.9   30.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0  -62.2   30.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0  -43.1   30.0 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0  -66.8   30.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  -33.1   30.0 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0  -72.4   30.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  -26.6   30.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -99.0   30.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  -12.2   30.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name CB   ) (resid 8     and name SG   )    1.0  -60.0   30.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0  -82.3   30.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  134.6   40.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0 -113.4   30.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  132.7   30.0 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0 -112.9   30.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  138.5   30.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0 -131.7   30.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  147.7   30.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name CB   ) (resid 14    and name SG   )    1.0  -60.0   30.0 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0 -128.4   30.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0  121.9   30.0 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0   53.1   30.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    ) (resid 17    and name N    )    1.0   40.7   30.0 2
assign (resid 16    and name C    ) (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    )    1.0   82.0   30.0 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    ) (resid 18    and name N    )    1.0    1.5   30.0 2
assign (resid 17    and name C    ) (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    )    1.0 -103.1   30.0 2
assign (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    ) (resid 19    and name N    )    1.0  135.3   30.0 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0 -122.1   40.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  140.0   30.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name CB   ) (resid 19    and name SG   )    1.0  -60.0   30.0 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0 -130.7   30.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    ) (resid 21    and name N    )    1.0  138.2   30.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0  143.1   30.0 2
assign (resid 21    and name C    ) (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    )    1.0  -78.2   50.0 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    ) (resid 23    and name N    )    1.0  144.3   40.0 2
#H-bonds restraints
assign (resid 15    and name HN   ) (resid 18    and name O    )    2.30    2.30    0.00
assign (resid 15    and name N    ) (resid 18    and name O    )    3.30    3.30    0.00
assign (resid 15    and name O    ) (resid 18    and name HN   )    2.30    2.30    0.00
assign (resid 15    and name O    ) (resid 18    and name N    )    3.30    3.30    0.00
assign (resid 13    and name O    ) (resid 20    and name HN   )    2.30    2.30    0.00
assign (resid 13    and name O    ) (resid 20    and name N    )    3.30    3.30    0.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1          1HT       ALA   1   5.707   1.882  -4.983
    2    H2   ALA   1          2HT       ALA   1   5.145   3.437  -5.247
    3    H3   ALA   1          3HT       ALA   1   4.312   2.105  -5.897
    4    HA   ALA   1           HA       ALA   1   3.219   3.007  -3.903
    5    HB1  ALA   1          1HB       ALA   1   2.987   0.620  -4.454
    6    HB2  ALA   1          2HB       ALA   1   3.050   0.858  -2.709
    7    HB3  ALA   1          3HB       ALA   1   4.472   0.268  -3.569
    8    H    CYS   2           HN       CYS   2   3.742   1.990  -1.350
    9    HA   CYS   2           HA       CYS   2   5.519   3.749  -0.190
   10    HB2  CYS   2          2HB       CYS   2   4.463   1.085   0.765
   11    HB3  CYS   2          1HB       CYS   2   5.327   2.239   1.770
   12    H    LYS   3           HN       LYS   3   7.515   3.253   0.962
   13    HA   LYS   3           HA       LYS   3   9.446   2.241  -0.796
   14    HB2  LYS   3          2HB       LYS   3   9.696   2.844   2.149
   15    HB3  LYS   3          1HB       LYS   3  11.040   2.564   1.051
   16    HG2  LYS   3          2HG       LYS   3   9.060   4.826   0.882
   17    HG3  LYS   3          1HG       LYS   3  10.726   4.941   1.454
   18    HD2  LYS   3          2HD       LYS   3  11.531   4.264  -0.749
   19    HD3  LYS   3          1HD       LYS   3   9.874   4.115  -1.321
   20    HE2  LYS   3          2HE       LYS   3   9.561   6.529  -0.811
   21    HE3  LYS   3          1HE       LYS   3  11.272   6.605  -0.406
   22    HZ1  LYS   3          1HZ       LYS   3  10.153   5.884  -3.060
   23    HZ2  LYS   3          2HZ       LYS   3  11.805   5.925  -2.663
   24    HZ3  LYS   3          3HZ       LYS   3  10.912   7.339  -2.652
   25    H    GLU   4           HN       GLU   4   8.275   0.860   2.265
   26    HA   GLU   4           HA       GLU   4   9.623  -1.607   1.550
   27    HB2  GLU   4          2HB       GLU   4   7.965  -1.076   3.993
   28    HB3  GLU   4          1HB       GLU   4   9.162  -2.334   3.729
   29    HG2  GLU   4          2HG       GLU   4   9.754   0.619   4.029
   30    HG3  GLU   4          1HG       GLU   4  10.015  -0.607   5.263
   31    H    TYR   5           HN       TYR   5   8.493  -2.621   0.156
   32    HA   TYR   5           HA       TYR   5   5.727  -2.241  -0.379
   33    HB2  TYR   5          2HB       TYR   5   7.507  -2.993  -2.018
   34    HB3  TYR   5          1HB       TYR   5   7.384  -4.582  -1.301
   35    HD1  TYR   5          1HD       TYR   5   5.698  -6.093  -1.949
   36    HD2  TYR   5          2HD       TYR   5   5.410  -2.022  -3.123
   37    HE1  TYR   5          1HE       TYR   5   3.820  -6.659  -3.407
   38    HE2  TYR   5          2HE       TYR   5   3.525  -2.568  -4.594
   39    HH   TYR   5           HH       TYR   5   2.598  -4.543  -5.766
   40    H    TRP   6           HN       TRP   6   7.479  -4.761   1.128
   41    HA   TRP   6           HA       TRP   6   5.361  -6.542   1.682
   42    HB2  TRP   6          2HB       TRP   6   6.944  -7.489   3.437
   43    HB3  TRP   6          1HB       TRP   6   7.495  -7.439   1.763
   44    HD1  TRP   6          1HD       TRP   6   7.993  -5.427   5.048
   45    HE1  TRP   6          1HE       TRP   6  10.350  -4.387   4.956
   46    HE3  TRP   6          3HE       TRP   6   9.361  -6.911   0.353
   47    HZ2  TRP   6          2HZ       TRP   6  12.493  -4.234   3.147
   48    HZ3  TRP   6          3HZ       TRP   6  11.586  -6.281  -0.478
   49    HH2  TRP   6          2HH       TRP   6  13.115  -4.969   0.898
   50    H    GLU   7           HN       GLU   7   6.207  -3.641   3.192
   51    HA   GLU   7           HA       GLU   7   5.011  -4.121   5.739
   52    HB2  GLU   7          2HB       GLU   7   6.590  -2.258   5.380
   53    HB3  GLU   7          1HB       GLU   7   5.463  -1.510   4.265
   54    HG2  GLU   7          2HG       GLU   7   5.448  -0.379   6.408
   55    HG3  GLU   7          1HG       GLU   7   3.894  -1.146   6.098
   56    H    CYS   8           HN       CYS   8   3.911  -2.993   2.693
   57    HA   CYS   8           HA       CYS   8   1.224  -2.530   3.578
   58    HB2  CYS   8          2HB       CYS   8   2.399  -2.714   0.814
   59    HB3  CYS   8          1HB       CYS   8   0.783  -2.163   1.216
   60    H    GLY   9           HN       GLY   9   2.989  -4.914   1.707
   61    HA2  GLY   9          2HA       GLY   9   2.354  -7.269   2.074
   62    HA3  GLY   9          1HA       GLY   9   0.678  -6.735   1.974
   63    H    ALA  10           HN       ALA  10  -0.138  -7.549   0.136
   64    HA   ALA  10           HA       ALA  10   1.520  -7.408  -2.282
   65    HB1  ALA  10          1HB       ALA  10   0.131  -9.207  -3.166
   66    HB2  ALA  10          2HB       ALA  10  -0.863  -9.161  -1.712
   67    HB3  ALA  10          3HB       ALA  10   0.820  -9.668  -1.608
   68    H    PHE  11           HN       PHE  11   1.078  -5.613  -3.330
   69    HA   PHE  11           HA       PHE  11   0.096  -3.886  -4.294
   70    HB2  PHE  11          2HB       PHE  11  -0.567  -5.578  -5.910
   71    HB3  PHE  11          1HB       PHE  11  -2.028  -5.910  -4.982
   72    HD1  PHE  11          1HD       PHE  11  -0.300  -3.286  -6.947
   73    HD2  PHE  11          2HD       PHE  11  -3.992  -4.664  -5.337
   74    HE1  PHE  11          1HE       PHE  11  -1.500  -1.556  -8.207
   75    HE2  PHE  11          2HE       PHE  11  -5.191  -2.941  -6.592
   76    HZ   PHE  11           HZ       PHE  11  -3.949  -1.380  -8.033
   77    H    LEU  12           HN       LEU  12  -0.281  -2.431  -2.845
   78    HA   LEU  12           HA       LEU  12  -3.030  -2.130  -1.948
   79    HB2  LEU  12          2HB       LEU  12  -0.542  -1.756  -0.271
   80    HB3  LEU  12          1HB       LEU  12  -2.055  -0.992   0.134
   81    HG   LEU  12           HG       LEU  12  -1.768  -2.873   1.558
   82   HD11  LEU  12          1HD1      LEU  12  -4.024  -2.515   0.860
   83   HD12  LEU  12          2HD1      LEU  12  -3.712  -4.233   1.112
   84   HD13  LEU  12          3HD1      LEU  12  -3.793  -3.585  -0.525
   85   HD21  LEU  12          1HD2      LEU  12  -0.168  -4.166   0.281
   86   HD22  LEU  12          2HD2      LEU  12  -1.415  -4.576  -0.897
   87   HD23  LEU  12          3HD2      LEU  12  -1.534  -5.173   0.757
   88    H    PHE  13           HN       PHE  13  -3.451   0.126  -1.373
   89    HA   PHE  13           HA       PHE  13  -2.094   1.924  -3.224
   90    HB2  PHE  13          2HB       PHE  13  -4.551   1.677  -3.432
   91    HB3  PHE  13          1HB       PHE  13  -4.739   2.116  -1.741
   92    HD1  PHE  13          1HD       PHE  13  -3.762   3.341  -5.057
   93    HD2  PHE  13          2HD       PHE  13  -4.801   4.398  -1.079
   94    HE1  PHE  13          1HE       PHE  13  -3.975   5.690  -5.744
   95    HE2  PHE  13          2HE       PHE  13  -5.015   6.752  -1.750
   96    HZ   PHE  13           HZ       PHE  13  -4.604   7.400  -4.089
   97    H    CYS  14           HN       CYS  14  -0.812   3.499  -2.308
   98    HA   CYS  14           HA       CYS  14  -0.850   3.572   0.599
   99    HB2  CYS  14          2HB       CYS  14   1.206   4.619  -1.300
  100    HB3  CYS  14          1HB       CYS  14   1.249   4.779   0.438
  101    H    ILE  15           HN       ILE  15  -1.556   5.098   1.598
  102    HA   ILE  15           HA       ILE  15  -1.679   7.717   0.389
  103    HB   ILE  15           HB       ILE  15  -3.910   7.008   0.240
  104   HG12  ILE  15          2HG1      ILE  15  -3.676   8.859   2.623
  105   HG13  ILE  15          1HG1      ILE  15  -3.606   9.330   0.931
  106   HG21  ILE  15          1HG2      ILE  15  -5.291   6.252   2.159
  107   HG22  ILE  15          2HG2      ILE  15  -3.846   6.270   3.169
  108   HG23  ILE  15          3HG2      ILE  15  -3.952   5.158   1.804
  109   HD11  ILE  15          1HD1      ILE  15  -5.764   9.855   1.908
  110   HD12  ILE  15          2HD1      ILE  15  -5.990   8.165   2.353
  111   HD13  ILE  15          3HD1      ILE  15  -5.934   8.630   0.651
  112    H    GLU  16           HN       GLU  16  -0.135   8.602   1.300
  113    HA   GLU  16           HA       GLU  16   1.156   9.690   2.776
  114    HB2  GLU  16          2HB       GLU  16  -1.317   9.397   4.331
  115    HB3  GLU  16          1HB       GLU  16   0.053  10.395   4.863
  116    HG2  GLU  16          2HG       GLU  16  -0.201  11.764   2.853
  117    HG3  GLU  16          1HG       GLU  16  -1.545  10.747   2.333
  118    H    GLY  17           HN       GLY  17   1.307   6.888   2.721
  119    HA2  GLY  17          2HA       GLY  17   3.033   5.641   3.800
  120    HA3  GLY  17          1HA       GLY  17   2.684   6.512   5.290
  121    H    ILE  18           HN       ILE  18  -0.229   5.907   4.291
  122    HA   ILE  18           HA       ILE  18  -0.376   3.426   5.814
  123    HB   ILE  18           HB       ILE  18  -2.588   5.330   4.979
  124   HG12  ILE  18          2HG1      ILE  18  -1.102   6.355   6.615
  125   HG13  ILE  18          1HG1      ILE  18  -2.661   5.998   7.350
  126   HG21  ILE  18          1HG2      ILE  18  -2.692   2.958   6.842
  127   HG22  ILE  18          2HG2      ILE  18  -3.423   3.055   5.242
  128   HG23  ILE  18          3HG2      ILE  18  -4.013   4.087   6.546
  129   HD11  ILE  18          1HD1      ILE  18  -0.121   4.410   7.685
  130   HD12  ILE  18          2HD1      ILE  18  -1.679   4.024   8.418
  131   HD13  ILE  18          3HD1      ILE  18  -0.839   5.509   8.860
  132    H    CYS  19           HN       CYS  19  -0.602   1.625   4.771
  133    HA   CYS  19           HA       CYS  19  -1.156   1.635   1.932
  134    HB2  CYS  19          2HB       CYS  19  -0.698  -0.781   3.683
  135    HB3  CYS  19          1HB       CYS  19  -0.408  -0.599   1.962
  136    H    VAL  20           HN       VAL  20  -3.255   1.708   1.415
  137    HA   VAL  20           HA       VAL  20  -5.145   0.187   3.061
  138    HB   VAL  20           HB       VAL  20  -6.929   1.664   2.246
  139   HG11  VAL  20          1HG1      VAL  20  -4.614   3.219   3.353
  140   HG12  VAL  20          2HG1      VAL  20  -5.824   2.328   4.278
  141   HG13  VAL  20          3HG1      VAL  20  -6.294   3.750   3.347
  142   HG21  VAL  20          1HG2      VAL  20  -6.427   3.692   0.934
  143   HG22  VAL  20          2HG2      VAL  20  -6.063   2.216   0.042
  144   HG23  VAL  20          3HG2      VAL  20  -4.755   3.150   0.769
  145    HA   PRO  21           HA       PRO  21  -5.840  -2.260  -0.534
  146    HB2  PRO  21          2HB       PRO  21  -8.430  -2.983  -0.199
  147    HB3  PRO  21          1HB       PRO  21  -7.111  -3.698   0.730
  148    HG2  PRO  21          2HG       PRO  21  -9.049  -1.571   1.536
  149    HG3  PRO  21          1HG       PRO  21  -8.399  -2.914   2.492
  150    HD2  PRO  21          2HD       PRO  21  -7.488  -0.356   2.680
  151    HD3  PRO  21          1HD       PRO  21  -6.477  -1.777   3.006
  152    H    MET  22           HN       MET  22  -6.312  -1.665  -2.586
  153    HA   MET  22           HA       MET  22  -7.597   0.813  -2.893
  154    HB2  MET  22          2HB       MET  22  -5.608   0.048  -4.293
  155    HB3  MET  22          1HB       MET  22  -6.776  -0.980  -5.133
  156    HG2  MET  22          2HG       MET  22  -8.073   0.999  -5.759
  157    HG3  MET  22          1HG       MET  22  -6.858   2.021  -5.000
  158    HE1  MET  22          1HE       MET  22  -7.779  -0.330  -7.950
  159    HE2  MET  22          2HE       MET  22  -6.435  -1.237  -7.253
  160    HE3  MET  22          3HE       MET  22  -6.260  -0.471  -8.830
  161    H    ILE  23           HN       ILE  23  -9.427   1.170  -4.156
  162    HA   ILE  23           HA       ILE  23 -11.259  -1.089  -4.258
  163    HB   ILE  23           HB       ILE  23 -11.905   1.899  -4.464
  164   HG12  ILE  23          2HG1      ILE  23 -13.168   1.475  -2.277
  165   HG13  ILE  23          1HG1      ILE  23 -12.309  -0.050  -2.177
  166   HG21  ILE  23          1HG2      ILE  23 -14.254   1.240  -4.317
  167   HG22  ILE  23          2HG2      ILE  23 -13.775  -0.457  -4.352
  168   HG23  ILE  23          3HG2      ILE  23 -13.468   0.575  -5.748
  169   HD11  ILE  23          1HD1      ILE  23 -10.188   1.168  -2.053
  170   HD12  ILE  23          2HD1      ILE  23 -11.295   1.641  -0.762
  171   HD13  ILE  23          3HD1      ILE  23 -11.066   2.696  -2.159
  172    HN1  NH2  24           HN1      NH2  24 -11.184   1.841  -6.204
  173    HN2  NH2  24           HN2      NH2  24 -10.958   1.064  -7.726
  Start of MODEL    2
    1    H1   ALA   1          1HT       ALA   1   7.129   7.936   1.518
    2    H2   ALA   1          2HT       ALA   1   7.420   8.699   0.025
    3    H3   ALA   1          3HT       ALA   1   8.455   7.480   0.595
    4    HA   ALA   1           HA       ALA   1   5.628   7.104  -0.136
    5    HB1  ALA   1          1HB       ALA   1   8.152   6.189  -1.528
    6    HB2  ALA   1          2HB       ALA   1   7.113   7.499  -2.075
    7    HB3  ALA   1          3HB       ALA   1   6.499   5.846  -2.038
    8    H    CYS   2           HN       CYS   2   5.476   4.531  -0.535
    9    HA   CYS   2           HA       CYS   2   6.234   3.341   1.966
   10    HB2  CYS   2          2HB       CYS   2   4.970   2.075  -0.471
   11    HB3  CYS   2          1HB       CYS   2   5.091   1.343   1.118
   12    H    LYS   3           HN       LYS   3   7.909   2.054   2.292
   13    HA   LYS   3           HA       LYS   3   9.798   1.875   0.072
   14    HB2  LYS   3          2HB       LYS   3  10.318   1.435   3.011
   15    HB3  LYS   3          1HB       LYS   3  11.524   1.501   1.733
   16    HG2  LYS   3          2HG       LYS   3  10.809   3.862   1.289
   17    HG3  LYS   3          1HG       LYS   3   9.785   3.754   2.714
   18    HD2  LYS   3          2HD       LYS   3  11.820   4.816   3.370
   19    HD3  LYS   3          1HD       LYS   3  11.835   3.184   4.036
   20    HE2  LYS   3          2HE       LYS   3  14.009   3.779   3.093
   21    HE3  LYS   3          1HE       LYS   3  13.289   2.440   2.210
   22    HZ1  LYS   3          1HZ       LYS   3  13.266   5.286   1.347
   23    HZ2  LYS   3          2HZ       LYS   3  12.598   4.001   0.486
   24    HZ3  LYS   3          3HZ       LYS   3  14.258   4.079   0.723
   25    H    GLU   4           HN       GLU   4   7.791  -0.080   2.095
   26    HA   GLU   4           HA       GLU   4   8.785  -2.396   0.678
   27    HB2  GLU   4          2HB       GLU   4   7.856  -2.302   3.502
   28    HB3  GLU   4          1HB       GLU   4   8.360  -3.705   2.573
   29    HG2  GLU   4          2HG       GLU   4  10.619  -2.899   2.434
   30    HG3  GLU   4          1HG       GLU   4  10.173  -1.393   3.235
   31    H    TYR   5           HN       TYR   5   7.269  -2.377  -0.647
   32    HA   TYR   5           HA       TYR   5   4.522  -1.758  -0.398
   33    HB2  TYR   5          2HB       TYR   5   5.881  -1.870  -2.490
   34    HB3  TYR   5          1HB       TYR   5   5.874  -3.617  -2.359
   35    HD1  TYR   5          1HD       TYR   5   3.951  -0.630  -3.151
   36    HD2  TYR   5          2HD       TYR   5   3.878  -4.874  -2.970
   37    HE1  TYR   5          1HE       TYR   5   1.958  -0.647  -4.551
   38    HE2  TYR   5          2HE       TYR   5   1.877  -4.900  -4.372
   39    HH   TYR   5           HH       TYR   5   0.827  -2.222  -6.105
   40    H    TRP   6           HN       TRP   6   6.270  -4.712  -0.393
   41    HA   TRP   6           HA       TRP   6   4.144  -6.559  -0.166
   42    HB2  TRP   6          2HB       TRP   6   5.931  -8.187   0.381
   43    HB3  TRP   6          1HB       TRP   6   6.285  -7.225  -1.051
   44    HD1  TRP   6          1HD       TRP   6   7.470  -7.788   2.536
   45    HE1  TRP   6          1HE       TRP   6   9.766  -6.668   2.860
   46    HE3  TRP   6          3HE       TRP   6   7.812  -5.357  -1.942
   47    HZ2  TRP   6          2HZ       TRP   6  11.497  -4.997   1.384
   48    HZ3  TRP   6          3HZ       TRP   6   9.819  -4.022  -2.396
   49    HH2  TRP   6          2HH       TRP   6  11.614  -3.851  -0.772
   50    H    GLU   7           HN       GLU   7   5.673  -4.572   2.166
   51    HA   GLU   7           HA       GLU   7   5.249  -6.276   4.429
   52    HB2  GLU   7          2HB       GLU   7   6.993  -4.449   4.280
   53    HB3  GLU   7          1HB       GLU   7   5.690  -3.282   4.427
   54    HG2  GLU   7          2HG       GLU   7   6.703  -3.535   6.568
   55    HG3  GLU   7          1HG       GLU   7   5.122  -4.314   6.626
   56    H    CYS   8           HN       CYS   8   3.330  -4.194   2.583
   57    HA   CYS   8           HA       CYS   8   1.332  -3.898   4.660
   58    HB2  CYS   8          2HB       CYS   8   1.624  -2.679   1.926
   59    HB3  CYS   8          1HB       CYS   8   0.315  -2.349   3.056
   60    H    GLY   9           HN       GLY   9   2.126  -6.218   2.513
   61    HA2  GLY   9          2HA       GLY   9   0.605  -8.091   2.349
   62    HA3  GLY   9          1HA       GLY   9  -0.693  -6.933   2.088
   63    H    ALA  10           HN       ALA  10  -1.330  -7.739   0.133
   64    HA   ALA  10           HA       ALA  10   0.625  -7.601  -2.049
   65    HB1  ALA  10          1HB       ALA  10  -1.892  -9.252  -1.876
   66    HB2  ALA  10          2HB       ALA  10  -0.246  -9.857  -1.690
   67    HB3  ALA  10          3HB       ALA  10  -0.778  -9.209  -3.241
   68    H    PHE  11           HN       PHE  11   0.299  -6.193  -3.549
   69    HA   PHE  11           HA       PHE  11  -0.400  -4.430  -4.685
   70    HB2  PHE  11          2HB       PHE  11  -1.734  -6.259  -5.750
   71    HB3  PHE  11          1HB       PHE  11  -3.095  -5.795  -4.736
   72    HD1  PHE  11          1HD       PHE  11  -0.733  -4.445  -7.261
   73    HD2  PHE  11          2HD       PHE  11  -4.583  -4.161  -5.489
   74    HE1  PHE  11          1HE       PHE  11  -1.384  -2.802  -8.964
   75    HE2  PHE  11          2HE       PHE  11  -5.242  -2.508  -7.193
   76    HZ   PHE  11           HZ       PHE  11  -3.646  -1.832  -8.932
   77    H    LEU  12           HN       LEU  12  -0.297  -2.624  -3.647
   78    HA   LEU  12           HA       LEU  12  -2.626  -1.739  -2.084
   79    HB2  LEU  12          2HB       LEU  12   0.252  -1.335  -1.242
   80    HB3  LEU  12          1HB       LEU  12  -1.135  -0.625  -0.467
   81    HG   LEU  12           HG       LEU  12  -0.415  -2.320   0.940
   82   HD11  LEU  12          1HD1      LEU  12  -2.716  -3.453  -0.587
   83   HD12  LEU  12          2HD1      LEU  12  -2.778  -2.312   0.758
   84   HD13  LEU  12          3HD1      LEU  12  -2.193  -3.957   1.019
   85   HD21  LEU  12          1HD2      LEU  12  -0.284  -4.191  -1.416
   86   HD22  LEU  12          2HD2      LEU  12   0.012  -4.641   0.264
   87   HD23  LEU  12          3HD2      LEU  12   1.086  -3.500  -0.546
   88    H    PHE  13           HN       PHE  13  -2.864   0.503  -1.988
   89    HA   PHE  13           HA       PHE  13  -1.215   2.042  -3.847
   90    HB2  PHE  13          2HB       PHE  13  -4.064   2.504  -2.899
   91    HB3  PHE  13          1HB       PHE  13  -3.143   3.639  -3.875
   92    HD1  PHE  13          1HD       PHE  13  -2.514   3.022  -6.197
   93    HD2  PHE  13          2HD       PHE  13  -5.173   0.660  -3.869
   94    HE1  PHE  13          1HE       PHE  13  -3.328   1.938  -8.239
   95    HE2  PHE  13          2HE       PHE  13  -5.988  -0.437  -5.929
   96    HZ   PHE  13           HZ       PHE  13  -5.063   0.207  -8.107
   97    H    CYS  14           HN       CYS  14  -0.072   3.645  -2.899
   98    HA   CYS  14           HA       CYS  14  -0.479   3.935  -0.031
   99    HB2  CYS  14          2HB       CYS  14   1.866   4.700  -1.738
  100    HB3  CYS  14          1HB       CYS  14   1.748   4.944  -0.007
  101    H    ILE  15           HN       ILE  15  -0.925   5.817   0.839
  102    HA   ILE  15           HA       ILE  15  -0.745   8.228  -0.606
  103    HB   ILE  15           HB       ILE  15  -2.892   7.480  -1.417
  104   HG12  ILE  15          2HG1      ILE  15  -4.407   9.252  -0.581
  105   HG13  ILE  15          1HG1      ILE  15  -3.291   9.553   0.745
  106   HG21  ILE  15          1HG2      ILE  15  -4.795   6.996   0.066
  107   HG22  ILE  15          2HG2      ILE  15  -3.675   6.997   1.433
  108   HG23  ILE  15          3HG2      ILE  15  -3.494   5.809   0.145
  109   HD11  ILE  15          1HD1      ILE  15  -3.051  11.192  -1.034
  110   HD12  ILE  15          2HD1      ILE  15  -2.704   9.904  -2.185
  111   HD13  ILE  15          3HD1      ILE  15  -1.581  10.232  -0.864
  112    H    GLU  16           HN       GLU  16  -0.061   9.615   0.761
  113    HA   GLU  16           HA       GLU  16   0.553  10.724   2.598
  114    HB2  GLU  16          2HB       GLU  16  -1.855   9.341   3.653
  115    HB3  GLU  16          1HB       GLU  16  -0.977  10.604   4.552
  116    HG2  GLU  16          2HG       GLU  16  -1.530  12.210   2.820
  117    HG3  GLU  16          1HG       GLU  16  -2.297  10.955   1.855
  118    H    GLY  17           HN       GLY  17   1.347   7.896   2.036
  119    HA2  GLY  17          2HA       GLY  17   3.161   6.725   2.961
  120    HA3  GLY  17          1HA       GLY  17   2.838   7.497   4.508
  121    H    ILE  18           HN       ILE  18  -0.061   6.558   3.485
  122    HA   ILE  18           HA       ILE  18  -0.028   4.191   5.181
  123    HB   ILE  18           HB       ILE  18  -2.390   5.684   3.991
  124   HG12  ILE  18          2HG1      ILE  18  -1.169   5.980   6.753
  125   HG13  ILE  18          1HG1      ILE  18  -1.044   7.157   5.456
  126   HG21  ILE  18          1HG2      ILE  18  -2.229   3.706   6.273
  127   HG22  ILE  18          2HG2      ILE  18  -2.904   3.395   4.675
  128   HG23  ILE  18          3HG2      ILE  18  -3.685   4.552   5.751
  129   HD11  ILE  18          1HD1      ILE  18  -2.712   7.813   7.093
  130   HD12  ILE  18          2HD1      ILE  18  -3.584   6.303   6.830
  131   HD13  ILE  18          3HD1      ILE  18  -3.464   7.491   5.531
  132    H    CYS  19           HN       CYS  19  -0.258   2.198   4.306
  133    HA   CYS  19           HA       CYS  19  -0.586   1.880   1.464
  134    HB2  CYS  19          2HB       CYS  19  -0.401  -0.194   3.668
  135    HB3  CYS  19          1HB       CYS  19  -0.319  -0.499   1.943
  136    H    VAL  20           HN       VAL  20  -2.565   1.875   0.614
  137    HA   VAL  20           HA       VAL  20  -4.798   0.958   2.273
  138    HB   VAL  20           HB       VAL  20  -4.795   2.944  -0.016
  139   HG11  VAL  20          1HG1      VAL  20  -7.038   2.095   1.810
  140   HG12  VAL  20          2HG1      VAL  20  -6.889   1.702   0.098
  141   HG13  VAL  20          3HG1      VAL  20  -7.127   3.376   0.602
  142   HG21  VAL  20          1HG2      VAL  20  -5.178   3.402   2.940
  143   HG22  VAL  20          2HG2      VAL  20  -5.265   4.627   1.665
  144   HG23  VAL  20          3HG2      VAL  20  -3.741   3.816   2.008
  145    HA   PRO  21           HA       PRO  21  -5.187  -2.005  -1.090
  146    HB2  PRO  21          2HB       PRO  21  -6.836  -3.717   0.176
  147    HB3  PRO  21          1HB       PRO  21  -5.108  -3.659   0.535
  148    HG2  PRO  21          2HG       PRO  21  -7.400  -2.582   2.090
  149    HG3  PRO  21          1HG       PRO  21  -5.866  -3.256   2.663
  150    HD2  PRO  21          2HD       PRO  21  -6.494  -0.530   2.444
  151    HD3  PRO  21          1HD       PRO  21  -4.870  -1.212   2.652
  152    H    MET  22           HN       MET  22  -6.665  -2.002  -2.683
  153    HA   MET  22           HA       MET  22  -8.963  -0.399  -2.452
  154    HB2  MET  22          2HB       MET  22  -7.365  -0.594  -4.439
  155    HB3  MET  22          1HB       MET  22  -8.130  -2.150  -4.736
  156    HG2  MET  22          2HG       MET  22  -9.690   0.415  -4.754
  157    HG3  MET  22          1HG       MET  22  -8.832  -0.172  -6.169
  158    HE1  MET  22          1HE       MET  22 -12.511  -0.883  -7.159
  159    HE2  MET  22          2HE       MET  22 -10.973  -0.179  -7.654
  160    HE3  MET  22          3HE       MET  22 -11.865   0.519  -6.303
  161    H    ILE  23           HN       ILE  23 -11.104  -1.337  -3.041
  162    HA   ILE  23           HA       ILE  23 -11.455  -3.862  -1.634
  163    HB   ILE  23           HB       ILE  23 -13.657  -2.101  -2.788
  164   HG12  ILE  23          2HG1      ILE  23 -12.668  -2.207   0.066
  165   HG13  ILE  23          1HG1      ILE  23 -12.174  -0.959  -1.067
  166   HG21  ILE  23          1HG2      ILE  23 -15.086  -3.306  -1.164
  167   HG22  ILE  23          2HG2      ILE  23 -13.703  -4.295  -0.700
  168   HG23  ILE  23          3HG2      ILE  23 -14.354  -4.404  -2.335
  169   HD11  ILE  23          1HD1      ILE  23 -13.939  -0.180   0.411
  170   HD12  ILE  23          2HD1      ILE  23 -14.984  -1.499  -0.122
  171   HD13  ILE  23          3HD1      ILE  23 -14.507  -0.238  -1.258
  172    HN1  NH2  24           HN1      NH2  24 -13.382  -2.874  -4.415
  173    HN2  NH2  24           HN2      NH2  24 -13.022  -4.255  -5.381
  Start of MODEL    3
    1    H1   ALA   1          1HT       ALA   1   5.547   7.797  -2.042
    2    H2   ALA   1          2HT       ALA   1   6.982   7.148  -1.400
    3    H3   ALA   1          3HT       ALA   1   5.797   7.726  -0.376
    4    HA   ALA   1           HA       ALA   1   4.300   6.023  -0.960
    5    HB1  ALA   1          1HB       ALA   1   5.063   5.689  -3.292
    6    HB2  ALA   1          2HB       ALA   1   5.006   4.176  -2.393
    7    HB3  ALA   1          3HB       ALA   1   6.553   4.961  -2.690
    8    H    CYS   2           HN       CYS   2   4.841   3.562  -0.321
    9    HA   CYS   2           HA       CYS   2   6.204   3.783   2.163
   10    HB2  CYS   2          2HB       CYS   2   5.059   1.355   0.773
   11    HB3  CYS   2          1HB       CYS   2   5.387   1.534   2.501
   12    H    LYS   3           HN       LYS   3   7.802   1.800   2.668
   13    HA   LYS   3           HA       LYS   3   9.938   2.425   0.840
   14    HB2  LYS   3          2HB       LYS   3  10.074   0.643   3.279
   15    HB3  LYS   3          1HB       LYS   3  11.440   1.311   2.399
   16    HG2  LYS   3          2HG       LYS   3   9.426   2.811   4.070
   17    HG3  LYS   3          1HG       LYS   3  11.141   2.591   4.405
   18    HD2  LYS   3          2HD       LYS   3  10.012   4.136   2.053
   19    HD3  LYS   3          1HD       LYS   3  10.549   4.859   3.557
   20    HE2  LYS   3          2HE       LYS   3  12.317   3.230   1.726
   21    HE3  LYS   3          1HE       LYS   3  12.205   4.985   1.689
   22    HZ1  LYS   3          1HZ       LYS   3  12.971   5.007   4.002
   23    HZ2  LYS   3          2HZ       LYS   3  14.085   4.353   2.954
   24    HZ3  LYS   3          3HZ       LYS   3  13.198   3.332   3.963
   25    H    GLU   4           HN       GLU   4   8.309  -0.553   1.858
   26    HA   GLU   4           HA       GLU   4   9.259  -1.718  -0.637
   27    HB2  GLU   4          2HB       GLU   4   8.743  -3.084   2.011
   28    HB3  GLU   4          1HB       GLU   4   9.128  -3.889   0.516
   29    HG2  GLU   4          2HG       GLU   4  10.924  -2.006   2.030
   30    HG3  GLU   4          1HG       GLU   4  11.063  -3.762   1.983
   31    H    TYR   5           HN       TYR   5   7.717  -3.267  -1.516
   32    HA   TYR   5           HA       TYR   5   4.999  -2.360  -1.357
   33    HB2  TYR   5          2HB       TYR   5   6.080  -3.193  -3.440
   34    HB3  TYR   5          1HB       TYR   5   6.200  -4.775  -2.708
   35    HD1  TYR   5          1HD       TYR   5   4.458  -6.320  -2.924
   36    HD2  TYR   5          2HD       TYR   5   3.733  -2.231  -3.814
   37    HE1  TYR   5          1HE       TYR   5   2.280  -6.918  -3.861
   38    HE2  TYR   5          2HE       TYR   5   1.550  -2.813  -4.747
   39    HH   TYR   5           HH       TYR   5   0.506  -4.829  -5.770
   40    H    TRP   6           HN       TRP   6   6.756  -5.200  -0.539
   41    HA   TRP   6           HA       TRP   6   4.616  -6.605   0.700
   42    HB2  TRP   6          2HB       TRP   6   6.338  -8.166   1.574
   43    HB3  TRP   6          1HB       TRP   6   6.514  -7.819  -0.144
   44    HD1  TRP   6          1HD       TRP   6   8.709  -6.608  -0.945
   45    HE1  TRP   6          1HE       TRP   6  10.958  -6.106   0.212
   46    HE3  TRP   6          3HE       TRP   6   7.381  -7.554   3.903
   47    HZ2  TRP   6          2HZ       TRP   6  12.022  -6.110   2.819
   48    HZ3  TRP   6          3HZ       TRP   6   9.076  -7.282   5.661
   49    HH2  TRP   6          2HH       TRP   6  11.341  -6.577   5.127
   50    H    GLU   7           HN       GLU   7   6.350  -3.995   1.697
   51    HA   GLU   7           HA       GLU   7   6.357  -4.266   4.515
   52    HB2  GLU   7          2HB       GLU   7   7.641  -2.505   3.441
   53    HB3  GLU   7          1HB       GLU   7   6.183  -1.799   2.767
   54    HG2  GLU   7          2HG       GLU   7   5.472  -1.196   5.019
   55    HG3  GLU   7          1HG       GLU   7   6.934  -1.927   5.675
   56    H    CYS   8           HN       CYS   8   4.025  -3.200   2.225
   57    HA   CYS   8           HA       CYS   8   2.017  -2.816   4.282
   58    HB2  CYS   8          2HB       CYS   8   1.968  -2.564   1.295
   59    HB3  CYS   8          1HB       CYS   8   0.608  -2.207   2.333
   60    H    GLY   9           HN       GLY   9   2.731  -4.805   1.489
   61    HA2  GLY   9          2HA       GLY   9   2.316  -7.246   1.958
   62    HA3  GLY   9          1HA       GLY   9   0.692  -6.705   2.383
   63    H    ALA  10           HN       ALA  10   0.614  -8.480   0.557
   64    HA   ALA  10           HA       ALA  10   1.093  -7.600  -2.098
   65    HB1  ALA  10          1HB       ALA  10   1.026  -9.975  -1.458
   66    HB2  ALA  10          2HB       ALA  10  -0.088  -9.599  -2.772
   67    HB3  ALA  10          3HB       ALA  10  -0.701  -9.817  -1.134
   68    H    PHE  11           HN       PHE  11  -0.043  -6.217  -3.224
   69    HA   PHE  11           HA       PHE  11  -1.643  -5.031  -4.112
   70    HB2  PHE  11          2HB       PHE  11  -3.501  -7.116  -2.952
   71    HB3  PHE  11          1HB       PHE  11  -4.015  -5.843  -4.057
   72    HD1  PHE  11          1HD       PHE  11  -2.467  -9.085  -3.760
   73    HD2  PHE  11          2HD       PHE  11  -3.025  -5.754  -6.350
   74    HE1  PHE  11          1HE       PHE  11  -1.774 -10.462  -5.675
   75    HE2  PHE  11          2HE       PHE  11  -2.339  -7.129  -8.269
   76    HZ   PHE  11           HZ       PHE  11  -1.710  -9.480  -7.933
   77    H    LEU  12           HN       LEU  12  -0.808  -4.719  -1.224
   78    HA   LEU  12           HA       LEU  12  -3.024  -2.971  -0.468
   79    HB2  LEU  12          2HB       LEU  12  -1.927  -4.729   1.159
   80    HB3  LEU  12          1HB       LEU  12  -0.624  -3.564   1.254
   81    HG   LEU  12           HG       LEU  12  -2.238  -1.870   2.092
   82   HD11  LEU  12          1HD1      LEU  12  -4.280  -2.773   1.147
   83   HD12  LEU  12          2HD1      LEU  12  -4.410  -2.661   2.900
   84   HD13  LEU  12          3HD1      LEU  12  -4.112  -4.222   2.139
   85   HD21  LEU  12          1HD2      LEU  12  -2.112  -4.431   3.671
   86   HD22  LEU  12          2HD2      LEU  12  -2.469  -2.830   4.322
   87   HD23  LEU  12          3HD2      LEU  12  -0.877  -3.175   3.648
   88    H    PHE  13           HN       PHE  13  -2.738  -1.088  -1.448
   89    HA   PHE  13           HA       PHE  13  -0.047  -0.223  -2.110
   90    HB2  PHE  13          2HB       PHE  13  -2.732   0.802  -3.059
   91    HB3  PHE  13          1HB       PHE  13  -1.175   1.423  -3.591
   92    HD1  PHE  13          1HD       PHE  13  -3.693  -1.085  -4.077
   93    HD2  PHE  13          2HD       PHE  13   0.387  -0.139  -4.820
   94    HE1  PHE  13          1HE       PHE  13  -3.624  -2.799  -5.843
   95    HE2  PHE  13          2HE       PHE  13   0.466  -1.846  -6.590
   96    HZ   PHE  13           HZ       PHE  13  -1.542  -3.182  -7.105
   97    H    CYS  14           HN       CYS  14   0.280   2.203  -2.025
   98    HA   CYS  14           HA       CYS  14  -0.457   3.008   0.675
   99    HB2  CYS  14          2HB       CYS  14   1.634   4.229  -1.085
  100    HB3  CYS  14          1HB       CYS  14   1.458   4.400   0.651
  101    H    ILE  15           HN       ILE  15  -1.741   4.604   0.981
  102    HA   ILE  15           HA       ILE  15  -2.123   6.648  -1.020
  103    HB   ILE  15           HB       ILE  15  -4.325   5.261   0.546
  104   HG12  ILE  15          2HG1      ILE  15  -3.850   5.472  -2.445
  105   HG13  ILE  15          1HG1      ILE  15  -3.660   4.027  -1.465
  106   HG21  ILE  15          1HG2      ILE  15  -4.731   7.676   0.497
  107   HG22  ILE  15          2HG2      ILE  15  -5.914   6.816  -0.486
  108   HG23  ILE  15          3HG2      ILE  15  -4.585   7.669  -1.264
  109   HD11  ILE  15          1HD1      ILE  15  -6.083   4.025  -1.044
  110   HD12  ILE  15          2HD1      ILE  15  -5.703   3.947  -2.764
  111   HD13  ILE  15          3HD1      ILE  15  -6.238   5.467  -2.048
  112    H    GLU  16           HN       GLU  16  -1.484   8.311  -0.169
  113    HA   GLU  16           HA       GLU  16  -0.763   9.962   1.148
  114    HB2  GLU  16          2HB       GLU  16  -2.830   8.848   2.945
  115    HB3  GLU  16          1HB       GLU  16  -1.974  10.378   3.244
  116    HG2  GLU  16          2HG       GLU  16  -2.931  11.230   1.134
  117    HG3  GLU  16          1HG       GLU  16  -3.811   9.714   0.949
  118    H    GLY  17           HN       GLY  17   0.281   7.229   1.329
  119    HA2  GLY  17          2HA       GLY  17   2.273   6.524   2.339
  120    HA3  GLY  17          1HA       GLY  17   1.985   7.661   3.652
  121    H    ILE  18           HN       ILE  18  -0.869   6.180   3.216
  122    HA   ILE  18           HA       ILE  18  -0.312   4.254   5.346
  123    HB   ILE  18           HB       ILE  18  -2.990   5.317   4.360
  124   HG12  ILE  18          2HG1      ILE  18  -1.385   6.114   6.802
  125   HG13  ILE  18          1HG1      ILE  18  -1.620   7.098   5.364
  126   HG21  ILE  18          1HG2      ILE  18  -2.300   3.766   6.863
  127   HG22  ILE  18          2HG2      ILE  18  -3.102   3.102   5.446
  128   HG23  ILE  18          3HG2      ILE  18  -3.904   4.345   6.410
  129   HD11  ILE  18          1HD1      ILE  18  -3.769   6.211   7.273
  130   HD12  ILE  18          2HD1      ILE  18  -4.016   7.201   5.837
  131   HD13  ILE  18          3HD1      ILE  18  -3.056   7.820   7.182
  132    H    CYS  19           HN       CYS  19  -0.679   2.111   5.003
  133    HA   CYS  19           HA       CYS  19  -0.954   1.213   2.290
  134    HB2  CYS  19          2HB       CYS  19  -0.798  -0.389   4.847
  135    HB3  CYS  19          1HB       CYS  19  -0.505  -0.966   3.217
  136    H    VAL  20           HN       VAL  20  -2.957   1.131   1.471
  137    HA   VAL  20           HA       VAL  20  -5.089  -0.120   3.015
  138    HB   VAL  20           HB       VAL  20  -6.743   1.591   2.210
  139   HG11  VAL  20          1HG1      VAL  20  -5.956   1.759   4.487
  140   HG12  VAL  20          2HG1      VAL  20  -6.180   3.371   3.803
  141   HG13  VAL  20          3HG1      VAL  20  -4.558   2.693   3.955
  142   HG21  VAL  20          1HG2      VAL  20  -5.949   3.773   1.446
  143   HG22  VAL  20          2HG2      VAL  20  -5.475   2.477   0.342
  144   HG23  VAL  20          3HG2      VAL  20  -4.293   3.164   1.454
  145    HA   PRO  21           HA       PRO  21  -5.865  -1.961  -0.963
  146    HB2  PRO  21          2HB       PRO  21  -8.514  -2.575  -0.730
  147    HB3  PRO  21          1HB       PRO  21  -7.252  -3.498   0.091
  148    HG2  PRO  21          2HG       PRO  21  -9.072  -1.398   1.179
  149    HG3  PRO  21          1HG       PRO  21  -8.502  -2.895   1.936
  150    HD2  PRO  21          2HD       PRO  21  -7.463  -0.430   2.485
  151    HD3  PRO  21          1HD       PRO  21  -6.549  -1.942   2.634
  152    H    MET  22           HN       MET  22  -6.269  -0.970  -2.906
  153    HA   MET  22           HA       MET  22  -7.508   1.540  -2.792
  154    HB2  MET  22          2HB       MET  22  -5.524   0.990  -4.269
  155    HB3  MET  22          1HB       MET  22  -6.695   0.084  -5.252
  156    HG2  MET  22          2HG       MET  22  -7.892   2.066  -5.794
  157    HG3  MET  22          1HG       MET  22  -6.896   3.020  -4.698
  158    HE1  MET  22          1HE       MET  22  -7.448   3.881  -7.689
  159    HE2  MET  22          2HE       MET  22  -5.835   4.412  -8.168
  160    HE3  MET  22          3HE       MET  22  -6.447   4.791  -6.560
  161    H    ILE  23           HN       ILE  23  -9.373   2.067  -3.767
  162    HA   ILE  23           HA       ILE  23 -11.058  -0.154  -4.552
  163    HB   ILE  23           HB       ILE  23 -11.545   0.348  -2.259
  164   HG12  ILE  23          2HG1      ILE  23 -14.020   0.762  -2.408
  165   HG13  ILE  23          1HG1      ILE  23 -13.786   1.143  -4.112
  166   HG21  ILE  23          1HG2      ILE  23 -12.280   3.149  -3.052
  167   HG22  ILE  23          2HG2      ILE  23 -10.919   2.645  -2.050
  168   HG23  ILE  23          3HG2      ILE  23 -12.569   2.425  -1.470
  169   HD11  ILE  23          1HD1      ILE  23 -14.560  -1.131  -3.822
  170   HD12  ILE  23          2HD1      ILE  23 -13.184  -1.489  -2.784
  171   HD13  ILE  23          3HD1      ILE  23 -12.930  -1.119  -4.489
  172    HN1  NH2  24           HN1      NH2  24 -11.232   3.399  -4.513
  173    HN2  NH2  24           HN2      NH2  24 -11.839   3.528  -6.124
  Start of MODEL    4
    1    H1   ALA   1          1HT       ALA   1   3.062   7.207  -1.517
    2    H2   ALA   1          2HT       ALA   1   4.119   8.410  -2.032
    3    H3   ALA   1          3HT       ALA   1   4.175   7.842  -0.430
    4    HA   ALA   1           HA       ALA   1   4.783   6.239  -2.816
    5    HB1  ALA   1          1HB       ALA   1   6.596   7.402  -0.710
    6    HB2  ALA   1          2HB       ALA   1   6.488   7.929  -2.390
    7    HB3  ALA   1          3HB       ALA   1   7.087   6.314  -2.008
    8    H    CYS   2           HN       CYS   2   5.776   4.206  -2.154
    9    HA   CYS   2           HA       CYS   2   4.647   3.189   0.342
   10    HB2  CYS   2          2HB       CYS   2   5.869   1.761  -2.035
   11    HB3  CYS   2          1HB       CYS   2   5.200   0.966  -0.612
   12    H    LYS   3           HN       LYS   3   6.018   2.178   1.837
   13    HA   LYS   3           HA       LYS   3   8.793   3.015   1.567
   14    HB2  LYS   3          2HB       LYS   3   7.493   3.694   3.606
   15    HB3  LYS   3          1HB       LYS   3   7.358   1.993   4.027
   16    HG2  LYS   3          2HG       LYS   3   9.810   1.848   4.146
   17    HG3  LYS   3          1HG       LYS   3   9.905   3.567   3.782
   18    HD2  LYS   3          2HD       LYS   3   8.578   4.036   5.807
   19    HD3  LYS   3          1HD       LYS   3   8.605   2.312   6.190
   20    HE2  LYS   3          2HE       LYS   3  11.063   2.389   6.204
   21    HE3  LYS   3          1HE       LYS   3  10.995   4.120   5.911
   22    HZ1  LYS   3          1HZ       LYS   3   9.917   2.707   8.270
   23    HZ2  LYS   3          2HZ       LYS   3   9.813   4.380   8.029
   24    HZ3  LYS   3          3HZ       LYS   3  11.305   3.650   8.248
   25    H    GLU   4           HN       GLU   4   6.880   0.218   2.731
   26    HA   GLU   4           HA       GLU   4   8.826  -1.563   1.530
   27    HB2  GLU   4          2HB       GLU   4   7.499  -1.840   4.190
   28    HB3  GLU   4          1HB       GLU   4   8.524  -3.027   3.408
   29    HG2  GLU   4          2HG       GLU   4  10.460  -1.572   3.642
   30    HG3  GLU   4          1HG       GLU   4   9.446  -0.295   4.310
   31    H    TYR   5           HN       TYR   5   7.614  -2.308   0.011
   32    HA   TYR   5           HA       TYR   5   4.788  -2.396  -0.143
   33    HB2  TYR   5          2HB       TYR   5   6.358  -2.451  -2.102
   34    HB3  TYR   5          1HB       TYR   5   6.724  -4.114  -1.704
   35    HD1  TYR   5          1HD       TYR   5   5.272  -5.904  -2.376
   36    HD2  TYR   5          2HD       TYR   5   4.026  -1.863  -2.884
   37    HE1  TYR   5          1HE       TYR   5   3.398  -6.659  -3.761
   38    HE2  TYR   5          2HE       TYR   5   2.149  -2.612  -4.267
   39    HH   TYR   5           HH       TYR   5   1.563  -4.565  -5.678
   40    H    TRP   6           HN       TRP   6   7.101  -4.860   0.462
   41    HA   TRP   6           HA       TRP   6   5.360  -7.058   0.789
   42    HB2  TRP   6          2HB       TRP   6   7.282  -8.188   1.916
   43    HB3  TRP   6          1HB       TRP   6   7.704  -7.458   0.371
   44    HD1  TRP   6          1HD       TRP   6   8.326  -7.104   4.124
   45    HE1  TRP   6          1HE       TRP   6  10.333  -5.511   4.484
   46    HE3  TRP   6          3HE       TRP   6   9.031  -5.536  -0.692
   47    HZ2  TRP   6          2HZ       TRP   6  11.978  -3.859   2.956
   48    HZ3  TRP   6          3HZ       TRP   6  10.850  -3.951  -1.151
   49    HH2  TRP   6          2HH       TRP   6  12.292  -3.134   0.640
   50    H    GLU   7           HN       GLU   7   6.251  -4.548   2.997
   51    HA   GLU   7           HA       GLU   7   5.518  -5.851   5.428
   52    HB2  GLU   7          2HB       GLU   7   7.064  -3.945   5.353
   53    HB3  GLU   7          1HB       GLU   7   5.785  -2.936   4.707
   54    HG2  GLU   7          2HG       GLU   7   6.188  -2.463   7.046
   55    HG3  GLU   7          1HG       GLU   7   4.571  -3.117   6.798
   56    H    CYS   8           HN       CYS   8   3.930  -4.037   3.032
   57    HA   CYS   8           HA       CYS   8   1.502  -3.782   4.556
   58    HB2  CYS   8          2HB       CYS   8   2.187  -2.970   1.751
   59    HB3  CYS   8          1HB       CYS   8   0.750  -2.508   2.658
   60    H    GLY   9           HN       GLY   9   2.681  -5.402   1.689
   61    HA2  GLY   9          2HA       GLY   9   1.900  -7.758   1.500
   62    HA3  GLY   9          1HA       GLY   9   0.284  -7.107   1.763
   63    H    ALA  10           HN       ALA  10   0.209  -8.375  -0.367
   64    HA   ALA  10           HA       ALA  10   1.251  -6.926  -2.643
   65    HB1  ALA  10          1HB       ALA  10   1.319  -9.370  -2.640
   66    HB2  ALA  10          2HB       ALA  10   0.323  -8.760  -3.961
   67    HB3  ALA  10          3HB       ALA  10  -0.438  -9.420  -2.512
   68    H    PHE  11           HN       PHE  11   0.085  -5.768  -4.049
   69    HA   PHE  11           HA       PHE  11  -1.577  -4.687  -5.070
   70    HB2  PHE  11          2HB       PHE  11  -3.392  -6.636  -3.652
   71    HB3  PHE  11          1HB       PHE  11  -3.967  -5.433  -4.798
   72    HD1  PHE  11          1HD       PHE  11  -3.307  -5.583  -7.163
   73    HD2  PHE  11          2HD       PHE  11  -2.323  -8.636  -4.375
   74    HE1  PHE  11          1HE       PHE  11  -2.867  -7.119  -9.013
   75    HE2  PHE  11          2HE       PHE  11  -1.874 -10.181  -6.232
   76    HZ   PHE  11           HZ       PHE  11  -2.149  -9.412  -8.559
   77    H    LEU  12           HN       LEU  12  -0.679  -4.113  -2.244
   78    HA   LEU  12           HA       LEU  12  -2.859  -2.463  -1.301
   79    HB2  LEU  12          2HB       LEU  12  -0.057  -2.975  -0.351
   80    HB3  LEU  12          1HB       LEU  12  -0.915  -1.558   0.202
   81    HG   LEU  12           HG       LEU  12  -0.997  -3.370   1.847
   82   HD11  LEU  12          1HD1      LEU  12  -3.679  -2.806   0.635
   83   HD12  LEU  12          2HD1      LEU  12  -2.805  -1.790   1.778
   84   HD13  LEU  12          3HD1      LEU  12  -3.372  -3.383   2.271
   85   HD21  LEU  12          1HD2      LEU  12  -0.911  -5.297   0.351
   86   HD22  LEU  12          2HD2      LEU  12  -2.526  -4.914  -0.244
   87   HD23  LEU  12          3HD2      LEU  12  -2.296  -5.400   1.436
   88    H    PHE  13           HN       PHE  13  -2.919  -0.213  -1.398
   89    HA   PHE  13           HA       PHE  13  -1.018   0.983  -3.278
   90    HB2  PHE  13          2HB       PHE  13  -3.897   1.672  -2.664
   91    HB3  PHE  13          1HB       PHE  13  -2.828   2.736  -3.564
   92    HD1  PHE  13          1HD       PHE  13  -4.359  -0.634  -3.589
   93    HD2  PHE  13          2HD       PHE  13  -2.528   2.460  -5.853
   94    HE1  PHE  13          1HE       PHE  13  -4.974  -1.789  -5.650
   95    HE2  PHE  13          2HE       PHE  13  -3.143   1.301  -7.933
   96    HZ   PHE  13           HZ       PHE  13  -4.371  -0.829  -7.830
   97    H    CYS  14           HN       CYS  14  -0.046   2.867  -2.653
   98    HA   CYS  14           HA       CYS  14  -0.330   3.353   0.188
   99    HB2  CYS  14          2HB       CYS  14   1.879   4.146  -1.661
  100    HB3  CYS  14          1HB       CYS  14   1.864   4.365   0.080
  101    H    ILE  15           HN       ILE  15  -1.021   5.072   0.943
  102    HA   ILE  15           HA       ILE  15  -1.444   7.459  -0.659
  103    HB   ILE  15           HB       ILE  15  -3.515   6.202   1.176
  104   HG12  ILE  15          2HG1      ILE  15  -3.601   6.409  -1.853
  105   HG13  ILE  15          1HG1      ILE  15  -3.305   4.928  -0.957
  106   HG21  ILE  15          1HG2      ILE  15  -3.605   8.611   1.169
  107   HG22  ILE  15          2HG2      ILE  15  -4.994   7.979   0.276
  108   HG23  ILE  15          3HG2      ILE  15  -3.605   8.632  -0.593
  109   HD11  ILE  15          1HD1      ILE  15  -5.550   5.074   0.006
  110   HD12  ILE  15          2HD1      ILE  15  -5.595   5.042  -1.757
  111   HD13  ILE  15          3HD1      ILE  15  -5.833   6.563  -0.895
  112    H    GLU  16           HN       GLU  16  -0.386   8.882   0.429
  113    HA   GLU  16           HA       GLU  16   0.537  10.186   1.983
  114    HB2  GLU  16          2HB       GLU  16  -1.512   8.844   3.642
  115    HB3  GLU  16          1HB       GLU  16  -0.470  10.151   4.257
  116    HG2  GLU  16          2HG       GLU  16  -1.423  11.646   2.567
  117    HG3  GLU  16          1HG       GLU  16  -2.439  10.333   1.972
  118    H    GLY  17           HN       GLY  17   1.412   7.488   1.431
  119    HA2  GLY  17          2HA       GLY  17   3.367   6.342   2.050
  120    HA3  GLY  17          1HA       GLY  17   3.401   7.281   3.537
  121    H    ILE  18           HN       ILE  18   0.367   6.131   3.264
  122    HA   ILE  18           HA       ILE  18   0.936   3.850   5.014
  123    HB   ILE  18           HB       ILE  18  -1.681   5.338   4.586
  124   HG12  ILE  18          2HG1      ILE  18   0.282   5.657   6.874
  125   HG13  ILE  18          1HG1      ILE  18   0.086   6.809   5.560
  126   HG21  ILE  18          1HG2      ILE  18  -2.356   4.239   6.676
  127   HG22  ILE  18          2HG2      ILE  18  -0.804   3.403   6.736
  128   HG23  ILE  18          3HG2      ILE  18  -1.939   3.062   5.430
  129   HD11  ILE  18          1HD1      ILE  18  -2.016   6.050   7.579
  130   HD12  ILE  18          2HD1      ILE  18  -2.221   7.209   6.265
  131   HD13  ILE  18          3HD1      ILE  18  -1.076   7.543   7.563
  132    H    CYS  19           HN       CYS  19   0.149   1.834   4.373
  133    HA   CYS  19           HA       CYS  19  -0.653   1.645   1.600
  134    HB2  CYS  19          2HB       CYS  19  -0.087  -0.526   3.610
  135    HB3  CYS  19          1HB       CYS  19  -0.261  -0.712   1.875
  136    H    VAL  20           HN       VAL  20  -2.707   1.686   1.098
  137    HA   VAL  20           HA       VAL  20  -4.689   0.678   3.022
  138    HB   VAL  20           HB       VAL  20  -5.073   2.853   0.935
  139   HG11  VAL  20          1HG1      VAL  20  -7.177   3.325   2.081
  140   HG12  VAL  20          2HG1      VAL  20  -6.869   1.995   3.194
  141   HG13  VAL  20          3HG1      VAL  20  -7.125   1.666   1.482
  142   HG21  VAL  20          1HG2      VAL  20  -3.560   3.662   2.653
  143   HG22  VAL  20          2HG2      VAL  20  -4.686   3.153   3.910
  144   HG23  VAL  20          3HG2      VAL  20  -5.132   4.453   2.802
  145    HA   PRO  21           HA       PRO  21  -5.648  -2.084  -0.422
  146    HB2  PRO  21          2HB       PRO  21  -8.035  -3.032   0.556
  147    HB3  PRO  21          1HB       PRO  21  -6.466  -3.639   1.092
  148    HG2  PRO  21          2HG       PRO  21  -8.286  -1.670   2.403
  149    HG3  PRO  21          1HG       PRO  21  -7.310  -2.955   3.136
  150    HD2  PRO  21          2HD       PRO  21  -6.580  -0.343   3.166
  151    HD3  PRO  21          1HD       PRO  21  -5.403  -1.670   3.143
  152    H    MET  22           HN       MET  22  -6.665  -1.555  -2.299
  153    HA   MET  22           HA       MET  22  -8.525   0.587  -2.099
  154    HB2  MET  22          2HB       MET  22  -6.514   1.104  -3.351
  155    HB3  MET  22          1HB       MET  22  -6.843  -0.252  -4.431
  156    HG2  MET  22          2HG       MET  22  -7.366   1.946  -5.413
  157    HG3  MET  22          1HG       MET  22  -8.757   0.864  -5.328
  158    HE1  MET  22          1HE       MET  22 -10.281   4.438  -4.778
  159    HE2  MET  22          2HE       MET  22 -10.312   2.983  -5.774
  160    HE3  MET  22          3HE       MET  22  -8.896   4.037  -5.794
  161    H    ILE  23           HN       ILE  23 -10.283   0.587  -3.506
  162    HA   ILE  23           HA       ILE  23 -11.313  -2.097  -3.979
  163    HB   ILE  23           HB       ILE  23 -12.761  -0.845  -2.543
  164   HG12  ILE  23          2HG1      ILE  23 -14.001  -0.936  -5.307
  165   HG13  ILE  23          1HG1      ILE  23 -13.903  -2.271  -4.166
  166   HG21  ILE  23          1HG2      ILE  23 -13.821   1.290  -3.140
  167   HG22  ILE  23          2HG2      ILE  23 -12.821   1.357  -4.590
  168   HG23  ILE  23          3HG2      ILE  23 -12.066   1.405  -2.997
  169   HD11  ILE  23          1HD1      ILE  23 -15.461   0.272  -3.787
  170   HD12  ILE  23          2HD1      ILE  23 -15.353  -1.057  -2.631
  171   HD13  ILE  23          3HD1      ILE  23 -16.117  -1.314  -4.199
  172    HN1  NH2  24           HN1      NH2  24 -10.548  -2.681  -5.886
  173    HN2  NH2  24           HN2      NH2  24 -10.774  -1.826  -7.370
  Start of MODEL    5
    1    H1   ALA   1          1HT       ALA   1   2.431   6.596  -2.382
    2    H2   ALA   1          2HT       ALA   1   2.954   7.908  -3.300
    3    H3   ALA   1          3HT       ALA   1   3.688   7.542  -1.810
    4    HA   ALA   1           HA       ALA   1   3.756   5.781  -4.146
    5    HB1  ALA   1          1HB       ALA   1   5.895   7.549  -2.960
    6    HB2  ALA   1          2HB       ALA   1   5.113   7.776  -4.526
    7    HB3  ALA   1          3HB       ALA   1   6.137   6.368  -4.244
    8    H    CYS   2           HN       CYS   2   3.982   3.740  -3.459
    9    HA   CYS   2           HA       CYS   2   4.423   3.055  -0.750
   10    HB2  CYS   2          2HB       CYS   2   4.622   1.356  -3.243
   11    HB3  CYS   2          1HB       CYS   2   4.615   0.728  -1.600
   12    H    LYS   3           HN       LYS   3   6.226   2.271   0.279
   13    HA   LYS   3           HA       LYS   3   8.756   2.800  -1.113
   14    HB2  LYS   3          2HB       LYS   3   8.122   2.697   1.824
   15    HB3  LYS   3          1HB       LYS   3   9.741   2.867   1.174
   16    HG2  LYS   3          2HG       LYS   3   9.003   4.962   0.063
   17    HG3  LYS   3          1HG       LYS   3   7.454   4.799   0.892
   18    HD2  LYS   3          2HD       LYS   3   8.895   6.318   2.137
   19    HD3  LYS   3          1HD       LYS   3   8.635   4.842   3.057
   20    HE2  LYS   3          2HE       LYS   3  10.982   5.575   3.149
   21    HE3  LYS   3          1HE       LYS   3  10.816   4.000   2.396
   22    HZ1  LYS   3          1HZ       LYS   3  12.373   5.463   1.216
   23    HZ2  LYS   3          2HZ       LYS   3  11.136   6.556   0.883
   24    HZ3  LYS   3          3HZ       LYS   3  11.104   5.013   0.228
   25    H    GLU   4           HN       GLU   4   7.405   0.575   1.289
   26    HA   GLU   4           HA       GLU   4   9.171  -1.467   0.194
   27    HB2  GLU   4          2HB       GLU   4   8.589  -0.773   3.020
   28    HB3  GLU   4          1HB       GLU   4   8.873  -2.448   2.623
   29    HG2  GLU   4          2HG       GLU   4  10.913  -1.391   3.450
   30    HG3  GLU   4          1HG       GLU   4  11.091  -1.927   1.795
   31    H    TYR   5           HN       TYR   5   8.313  -3.228  -0.376
   32    HA   TYR   5           HA       TYR   5   5.536  -3.534  -0.811
   33    HB2  TYR   5          2HB       TYR   5   7.379  -4.508  -2.186
   34    HB3  TYR   5          1HB       TYR   5   7.716  -5.614  -0.877
   35    HD1  TYR   5          1HD       TYR   5   6.318  -7.558  -0.480
   36    HD2  TYR   5          2HD       TYR   5   5.346  -4.772  -3.538
   37    HE1  TYR   5          1HE       TYR   5   4.733  -9.169  -1.427
   38    HE2  TYR   5          2HE       TYR   5   3.771  -6.356  -4.494
   39    HH   TYR   5           HH       TYR   5   2.742  -9.180  -2.864
   40    H    TRP   6           HN       TRP   6   7.776  -4.989   1.347
   41    HA   TRP   6           HA       TRP   6   5.959  -6.765   2.599
   42    HB2  TRP   6          2HB       TRP   6   7.752  -7.134   4.288
   43    HB3  TRP   6          1HB       TRP   6   8.237  -7.316   2.602
   44    HD1  TRP   6          1HD       TRP   6  10.145  -5.807   1.704
   45    HE1  TRP   6          1HE       TRP   6  11.725  -4.095   2.791
   46    HE3  TRP   6          3HE       TRP   6   7.799  -5.287   6.217
   47    HZ2  TRP   6          2HZ       TRP   6  11.937  -2.702   5.230
   48    HZ3  TRP   6          3HZ       TRP   6   8.758  -3.745   7.859
   49    HH2  TRP   6          2HH       TRP   6  10.788  -2.479   7.366
   50    H    GLU   7           HN       GLU   7   6.471  -3.460   3.078
   51    HA   GLU   7           HA       GLU   7   5.577  -3.412   5.788
   52    HB2  GLU   7          2HB       GLU   7   6.797  -1.455   4.791
   53    HB3  GLU   7          1HB       GLU   7   5.379  -1.121   3.803
   54    HG2  GLU   7          2HG       GLU   7   4.048  -0.801   5.840
   55    HG3  GLU   7          1HG       GLU   7   5.480  -1.091   6.812
   56    H    CYS   8           HN       CYS   8   4.034  -3.364   2.732
   57    HA   CYS   8           HA       CYS   8   1.406  -3.130   3.867
   58    HB2  CYS   8          2HB       CYS   8   2.332  -3.799   1.073
   59    HB3  CYS   8          1HB       CYS   8   0.665  -3.538   1.556
   60    H    GLY   9           HN       GLY   9   3.550  -5.546   2.563
   61    HA2  GLY   9          2HA       GLY   9   3.620  -7.766   3.446
   62    HA3  GLY   9          1HA       GLY   9   1.893  -7.645   3.796
   63    H    ALA  10           HN       ALA  10   0.648  -7.004   1.758
   64    HA   ALA  10           HA       ALA  10   1.546  -8.697  -0.448
   65    HB1  ALA  10          1HB       ALA  10  -1.252  -7.912   0.375
   66    HB2  ALA  10          2HB       ALA  10  -0.514  -9.494   0.623
   67    HB3  ALA  10          3HB       ALA  10  -0.834  -8.914  -1.012
   68    H    PHE  11           HN       PHE  11   0.387  -7.778  -2.583
   69    HA   PHE  11           HA       PHE  11   1.379  -5.116  -2.724
   70    HB2  PHE  11          2HB       PHE  11   0.697  -5.175  -5.154
   71    HB3  PHE  11          1HB       PHE  11   1.859  -6.393  -4.675
   72    HD1  PHE  11          1HD       PHE  11  -1.442  -5.731  -6.004
   73    HD2  PHE  11          2HD       PHE  11   1.167  -8.743  -4.526
   74    HE1  PHE  11          1HE       PHE  11  -2.849  -7.450  -7.034
   75    HE2  PHE  11          2HE       PHE  11  -0.245 -10.467  -5.546
   76    HZ   PHE  11           HZ       PHE  11  -2.255  -9.815  -6.801
   77    H    LEU  12           HN       LEU  12   0.367  -3.668  -1.784
   78    HA   LEU  12           HA       LEU  12  -2.471  -3.305  -2.344
   79    HB2  LEU  12          2HB       LEU  12  -2.043  -4.358  -0.122
   80    HB3  LEU  12          1HB       LEU  12  -1.079  -2.974   0.321
   81    HG   LEU  12           HG       LEU  12  -3.026  -1.563   0.420
   82   HD11  LEU  12          1HD1      LEU  12  -5.266  -2.477  -0.055
   83   HD12  LEU  12          2HD1      LEU  12  -4.530  -3.994  -0.580
   84   HD13  LEU  12          3HD1      LEU  12  -4.252  -2.511  -1.496
   85   HD21  LEU  12          1HD2      LEU  12  -4.297  -2.697   2.161
   86   HD22  LEU  12          2HD2      LEU  12  -2.563  -2.948   2.358
   87   HD23  LEU  12          3HD2      LEU  12  -3.570  -4.236   1.697
   88    H    PHE  13           HN       PHE  13  -3.123  -1.041  -2.100
   89    HA   PHE  13           HA       PHE  13  -1.090   0.677  -3.195
   90    HB2  PHE  13          2HB       PHE  13  -4.047   1.074  -2.742
   91    HB3  PHE  13          1HB       PHE  13  -2.993   2.288  -3.458
   92    HD1  PHE  13          1HD       PHE  13  -4.543  -1.013  -3.950
   93    HD2  PHE  13          2HD       PHE  13  -2.200   2.079  -5.682
   94    HE1  PHE  13          1HE       PHE  13  -4.843  -2.028  -6.161
   95    HE2  PHE  13          2HE       PHE  13  -2.495   1.076  -7.887
   96    HZ   PHE  13           HZ       PHE  13  -3.819  -0.992  -8.137
   97    H    CYS  14           HN       CYS  14  -0.336   2.530  -2.297
   98    HA   CYS  14           HA       CYS  14  -0.796   2.682   0.583
   99    HB2  CYS  14          2HB       CYS  14   1.511   3.843  -0.945
  100    HB3  CYS  14          1HB       CYS  14   1.379   3.599   0.786
  101    H    ILE  15           HN       ILE  15  -1.653   4.404   1.385
  102    HA   ILE  15           HA       ILE  15  -1.675   6.894  -0.096
  103    HB   ILE  15           HB       ILE  15  -4.018   5.746   1.471
  104   HG12  ILE  15          2HG1      ILE  15  -5.328   6.191  -0.714
  105   HG13  ILE  15          1HG1      ILE  15  -3.766   6.337  -1.494
  106   HG21  ILE  15          1HG2      ILE  15  -5.231   7.825   0.908
  107   HG22  ILE  15          2HG2      ILE  15  -3.743   8.463   0.210
  108   HG23  ILE  15          3HG2      ILE  15  -3.819   8.092   1.931
  109   HD11  ILE  15          1HD1      ILE  15  -4.859   3.894  -0.120
  110   HD12  ILE  15          2HD1      ILE  15  -3.271   4.013  -0.877
  111   HD13  ILE  15          3HD1      ILE  15  -4.730   4.150  -1.859
  112    H    GLU  16           HN       GLU  16  -0.530   8.104   1.059
  113    HA   GLU  16           HA       GLU  16   0.518   9.190   2.715
  114    HB2  GLU  16          2HB       GLU  16  -1.974   8.352   4.061
  115    HB3  GLU  16          1HB       GLU  16  -0.735   9.314   4.897
  116    HG2  GLU  16          2HG       GLU  16  -2.168  10.082   2.355
  117    HG3  GLU  16          1HG       GLU  16  -2.520  10.734   3.960
  118    H    GLY  17           HN       GLY  17   0.945   6.342   2.313
  119    HA2  GLY  17          2HA       GLY  17   2.724   5.055   3.164
  120    HA3  GLY  17          1HA       GLY  17   2.620   5.971   4.666
  121    H    ILE  18           HN       ILE  18  -0.407   5.180   3.847
  122    HA   ILE  18           HA       ILE  18  -0.397   2.809   5.565
  123    HB   ILE  18           HB       ILE  18  -2.736   4.574   4.757
  124   HG12  ILE  18          2HG1      ILE  18  -1.169   4.650   7.347
  125   HG13  ILE  18          1HG1      ILE  18  -1.023   5.839   6.061
  126   HG21  ILE  18          1HG2      ILE  18  -3.859   3.501   6.660
  127   HG22  ILE  18          2HG2      ILE  18  -2.418   2.528   6.958
  128   HG23  ILE  18          3HG2      ILE  18  -3.335   2.311   5.468
  129   HD11  ILE  18          1HD1      ILE  18  -2.429   6.655   7.857
  130   HD12  ILE  18          2HD1      ILE  18  -3.500   5.267   7.670
  131   HD13  ILE  18          3HD1      ILE  18  -3.367   6.458   6.376
  132    H    CYS  19           HN       CYS  19  -0.893   0.903   4.546
  133    HA   CYS  19           HA       CYS  19  -1.445   1.027   1.730
  134    HB2  CYS  19          2HB       CYS  19  -1.272  -1.451   3.442
  135    HB3  CYS  19          1HB       CYS  19  -0.976  -1.297   1.723
  136    H    VAL  20           HN       VAL  20  -3.440   1.238   1.050
  137    HA   VAL  20           HA       VAL  20  -5.676   0.053   2.541
  138    HB   VAL  20           HB       VAL  20  -5.672   2.844   1.324
  139   HG11  VAL  20          1HG1      VAL  20  -7.863   3.129   2.358
  140   HG12  VAL  20          2HG1      VAL  20  -7.806   1.460   2.924
  141   HG13  VAL  20          3HG1      VAL  20  -7.854   1.800   1.196
  142   HG21  VAL  20          1HG2      VAL  20  -5.674   2.069   4.238
  143   HG22  VAL  20          2HG2      VAL  20  -5.873   3.707   3.615
  144   HG23  VAL  20          3HG2      VAL  20  -4.355   2.846   3.364
  145    HA   PRO  21           HA       PRO  21  -6.711  -1.498  -1.574
  146    HB2  PRO  21          2HB       PRO  21  -9.493  -1.268  -0.515
  147    HB3  PRO  21          1HB       PRO  21  -8.700  -2.653  -1.275
  148    HG2  PRO  21          2HG       PRO  21  -9.109  -2.618   1.351
  149    HG3  PRO  21          1HG       PRO  21  -7.604  -3.266   0.678
  150    HD2  PRO  21          2HD       PRO  21  -8.105  -0.647   2.020
  151    HD3  PRO  21          1HD       PRO  21  -6.688  -1.717   2.106
  152    H    MET  22           HN       MET  22  -6.788  -0.184  -3.265
  153    HA   MET  22           HA       MET  22  -7.500   2.475  -3.121
  154    HB2  MET  22          2HB       MET  22  -5.900   1.346  -4.750
  155    HB3  MET  22          1HB       MET  22  -7.367   0.871  -5.615
  156    HG2  MET  22          2HG       MET  22  -7.926   3.158  -6.047
  157    HG3  MET  22          1HG       MET  22  -6.542   3.707  -5.099
  158    HE1  MET  22          1HE       MET  22  -5.602   5.195  -7.045
  159    HE2  MET  22          2HE       MET  22  -7.009   4.755  -8.015
  160    HE3  MET  22          3HE       MET  22  -5.390   4.626  -8.702
  161    H    ILE  23           HN       ILE  23  -9.207   3.506  -4.008
  162    HA   ILE  23           HA       ILE  23 -11.687   1.997  -3.859
  163    HB   ILE  23           HB       ILE  23 -11.347   5.013  -4.064
  164   HG12  ILE  23          2HG1      ILE  23 -11.822   3.300  -1.607
  165   HG13  ILE  23          1HG1      ILE  23 -10.281   4.030  -2.034
  166   HG21  ILE  23          1HG2      ILE  23 -13.552   4.222  -4.755
  167   HG22  ILE  23          2HG2      ILE  23 -13.653   5.085  -3.220
  168   HG23  ILE  23          3HG2      ILE  23 -13.717   3.323  -3.248
  169   HD11  ILE  23          1HD1      ILE  23 -11.431   5.297  -0.309
  170   HD12  ILE  23          2HD1      ILE  23 -12.820   5.508  -1.376
  171   HD13  ILE  23          3HD1      ILE  23 -11.272   6.247  -1.786
  172    HN1  NH2  24           HN1      NH2  24 -10.807   4.722  -5.929
  173    HN2  NH2  24           HN2      NH2  24 -11.418   4.036  -7.391
  Start of MODEL    6
    1    H1   ALA   1          1HT       ALA   1   3.227   4.426  -3.552
    2    H2   ALA   1          2HT       ALA   1   4.128   5.704  -4.181
    3    H3   ALA   1          3HT       ALA   1   3.171   5.929  -2.811
    4    HA   ALA   1           HA       ALA   1   5.479   4.137  -2.901
    5    HB1  ALA   1          1HB       ALA   1   6.165   6.480  -3.114
    6    HB2  ALA   1          2HB       ALA   1   6.617   5.817  -1.542
    7    HB3  ALA   1          3HB       ALA   1   5.221   6.883  -1.680
    8    H    CYS   2           HN       CYS   2   5.466   2.740  -1.287
    9    HA   CYS   2           HA       CYS   2   3.504   3.018   0.875
   10    HB2  CYS   2          2HB       CYS   2   5.251   0.629   0.201
   11    HB3  CYS   2          1HB       CYS   2   3.787   0.643   1.171
   12    H    LYS   3           HN       LYS   3   4.453   2.335   3.123
   13    HA   LYS   3           HA       LYS   3   6.892   3.753   3.614
   14    HB2  LYS   3          2HB       LYS   3   5.074   3.484   5.302
   15    HB3  LYS   3          1HB       LYS   3   5.392   1.761   5.339
   16    HG2  LYS   3          2HG       LYS   3   7.820   2.565   5.970
   17    HG3  LYS   3          1HG       LYS   3   6.922   3.983   6.528
   18    HD2  LYS   3          2HD       LYS   3   6.397   1.126   7.332
   19    HD3  LYS   3          1HD       LYS   3   7.164   2.363   8.326
   20    HE2  LYS   3          2HE       LYS   3   5.165   3.604   8.476
   21    HE3  LYS   3          1HE       LYS   3   4.382   2.642   7.220
   22    HZ1  LYS   3          1HZ       LYS   3   4.523   0.734   8.694
   23    HZ2  LYS   3          2HZ       LYS   3   3.598   1.973   9.368
   24    HZ3  LYS   3          3HZ       LYS   3   5.171   1.691   9.923
   25    H    GLU   4           HN       GLU   4   5.919   0.346   3.907
   26    HA   GLU   4           HA       GLU   4   8.472  -0.485   2.887
   27    HB2  GLU   4          2HB       GLU   4   7.094  -1.453   5.368
   28    HB3  GLU   4          1HB       GLU   4   8.357  -2.356   4.559
   29    HG2  GLU   4          2HG       GLU   4   9.934  -0.513   4.954
   30    HG3  GLU   4          1HG       GLU   4   8.655   0.401   5.749
   31    H    TYR   5           HN       TYR   5   8.133  -1.821   1.332
   32    HA   TYR   5           HA       TYR   5   5.642  -2.399   0.230
   33    HB2  TYR   5          2HB       TYR   5   7.814  -2.377  -0.972
   34    HB3  TYR   5          1HB       TYR   5   8.228  -3.886  -0.186
   35    HD1  TYR   5          1HD       TYR   5   5.556  -2.421  -2.334
   36    HD2  TYR   5          2HD       TYR   5   7.831  -5.870  -1.330
   37    HE1  TYR   5          1HE       TYR   5   4.543  -3.623  -4.197
   38    HE2  TYR   5          2HE       TYR   5   6.818  -7.092  -3.187
   39    HH   TYR   5           HH       TYR   5   4.900  -7.029  -4.616
   40    H    TRP   6           HN       TRP   6   7.796  -4.495   1.905
   41    HA   TRP   6           HA       TRP   6   6.214  -6.836   1.974
   42    HB2  TRP   6          2HB       TRP   6   7.814  -7.491   3.857
   43    HB3  TRP   6          1HB       TRP   6   8.493  -7.108   2.269
   44    HD1  TRP   6          1HD       TRP   6   8.093  -5.487   5.760
   45    HE1  TRP   6          1HE       TRP   6   9.973  -3.711   6.008
   46    HE3  TRP   6          3HE       TRP   6  10.159  -5.782   1.105
   47    HZ2  TRP   6          2HZ       TRP   6  12.027  -2.638   4.474
   48    HZ3  TRP   6          3HZ       TRP   6  12.082  -4.356   0.578
   49    HH2  TRP   6          2HH       TRP   6  12.996  -2.815   2.229
   50    H    GLU   7           HN       GLU   7   5.967  -4.035   3.806
   51    HA   GLU   7           HA       GLU   7   4.766  -5.170   6.155
   52    HB2  GLU   7          2HB       GLU   7   5.933  -3.025   6.267
   53    HB3  GLU   7          1HB       GLU   7   4.825  -2.333   5.098
   54    HG2  GLU   7          2HG       GLU   7   2.998  -2.605   6.743
   55    HG3  GLU   7          1HG       GLU   7   4.178  -3.204   7.906
   56    H    CYS   8           HN       CYS   8   3.715  -4.298   3.036
   57    HA   CYS   8           HA       CYS   8   0.927  -4.466   3.877
   58    HB2  CYS   8          2HB       CYS   8   2.140  -3.014   1.568
   59    HB3  CYS   8          1HB       CYS   8   0.465  -2.976   2.108
   60    H    GLY   9           HN       GLY   9   3.210  -5.224   1.305
   61    HA2  GLY   9          2HA       GLY   9   3.110  -7.444   0.321
   62    HA3  GLY   9          1HA       GLY   9   1.353  -7.307   0.374
   63    H    ALA  10           HN       ALA  10   1.475  -7.756  -1.923
   64    HA   ALA  10           HA       ALA  10   2.489  -5.576  -3.580
   65    HB1  ALA  10          1HB       ALA  10   2.217  -7.143  -5.426
   66    HB2  ALA  10          2HB       ALA  10   1.504  -8.323  -4.329
   67    HB3  ALA  10          3HB       ALA  10   3.194  -7.854  -4.138
   68    H    PHE  11           HN       PHE  11   1.150  -4.700  -5.209
   69    HA   PHE  11           HA       PHE  11  -0.673  -3.884  -6.185
   70    HB2  PHE  11          2HB       PHE  11  -1.927  -6.430  -5.176
   71    HB3  PHE  11          1HB       PHE  11  -2.806  -5.290  -6.181
   72    HD1  PHE  11          1HD       PHE  11  -2.119  -4.915  -8.507
   73    HD2  PHE  11          2HD       PHE  11  -0.229  -7.856  -6.085
   74    HE1  PHE  11          1HE       PHE  11  -1.158  -5.950 -10.523
   75    HE2  PHE  11          2HE       PHE  11   0.739  -8.898  -8.091
   76    HZ   PHE  11           HZ       PHE  11   0.278  -7.946 -10.316
   77    H    LEU  12           HN       LEU  12  -0.181  -3.460  -3.166
   78    HA   LEU  12           HA       LEU  12  -2.801  -2.504  -2.376
   79    HB2  LEU  12          2HB       LEU  12  -0.115  -2.419  -1.019
   80    HB3  LEU  12          1HB       LEU  12  -1.409  -1.383  -0.478
   81    HG   LEU  12           HG       LEU  12  -1.285  -3.274   0.960
   82   HD11  LEU  12          1HD1      LEU  12  -3.496  -2.438   0.509
   83   HD12  LEU  12          2HD1      LEU  12  -3.521  -4.172   0.809
   84   HD13  LEU  12          3HD1      LEU  12  -3.674  -3.568  -0.835
   85   HD21  LEU  12          1HD2      LEU  12  -1.619  -5.579   0.179
   86   HD22  LEU  12          2HD2      LEU  12  -0.160  -4.864  -0.502
   87   HD23  LEU  12          3HD2      LEU  12  -1.616  -5.007  -1.487
   88    H    PHE  13           HN       PHE  13  -3.453  -0.428  -2.308
   89    HA   PHE  13           HA       PHE  13  -1.977   1.350  -4.032
   90    HB2  PHE  13          2HB       PHE  13  -4.712   1.596  -2.746
   91    HB3  PHE  13          1HB       PHE  13  -4.020   2.771  -3.859
   92    HD1  PHE  13          1HD       PHE  13  -3.931   2.333  -6.226
   93    HD2  PHE  13          2HD       PHE  13  -5.417  -0.614  -3.539
   94    HE1  PHE  13          1HE       PHE  13  -4.830   1.066  -8.120
   95    HE2  PHE  13          2HE       PHE  13  -6.321  -1.889  -5.436
   96    HZ   PHE  13           HZ       PHE  13  -6.031  -1.049  -7.729
   97    H    CYS  14           HN       CYS  14  -0.472   2.426  -3.087
   98    HA   CYS  14           HA       CYS  14  -0.754   3.066  -0.262
   99    HB2  CYS  14          2HB       CYS  14   1.715   3.008  -1.984
  100    HB3  CYS  14          1HB       CYS  14   1.655   3.337  -0.256
  101    H    ILE  15           HN       ILE  15  -0.521   5.064   0.492
  102    HA   ILE  15           HA       ILE  15  -0.007   7.224  -1.303
  103    HB   ILE  15           HB       ILE  15  -2.347   7.011  -1.561
  104   HG12  ILE  15          2HG1      ILE  15  -1.864   9.237   0.427
  105   HG13  ILE  15          1HG1      ILE  15  -1.540   9.310  -1.301
  106   HG21  ILE  15          1HG2      ILE  15  -3.982   7.034   0.302
  107   HG22  ILE  15          2HG2      ILE  15  -2.638   6.903   1.437
  108   HG23  ILE  15          3HG2      ILE  15  -2.949   5.605   0.288
  109   HD11  ILE  15          1HD1      ILE  15  -3.621  10.447  -0.726
  110   HD12  ILE  15          2HD1      ILE  15  -4.247   8.954  -0.036
  111   HD13  ILE  15          3HD1      ILE  15  -3.917   9.055  -1.763
  112    H    GLU  16           HN       GLU  16   1.466   8.276  -0.360
  113    HA   GLU  16           HA       GLU  16   2.776   9.376   1.081
  114    HB2  GLU  16          2HB       GLU  16   0.272   9.246   2.654
  115    HB3  GLU  16          1HB       GLU  16   1.676  10.204   3.163
  116    HG2  GLU  16          2HG       GLU  16   1.455  11.615   1.233
  117    HG3  GLU  16          1HG       GLU  16   0.239  10.545   0.537
  118    H    GLY  17           HN       GLY  17   2.494   6.426   1.159
  119    HA2  GLY  17          2HA       GLY  17   4.100   5.014   2.231
  120    HA3  GLY  17          1HA       GLY  17   3.962   6.007   3.674
  121    H    ILE  18           HN       ILE  18   0.954   5.919   3.062
  122    HA   ILE  18           HA       ILE  18   0.415   3.675   4.810
  123    HB   ILE  18           HB       ILE  18  -1.452   5.722   3.576
  124   HG12  ILE  18          2HG1      ILE  18   0.200   6.831   5.000
  125   HG13  ILE  18          1HG1      ILE  18  -1.392   6.880   5.740
  126   HG21  ILE  18          1HG2      ILE  18  -3.029   5.089   5.333
  127   HG22  ILE  18          2HG2      ILE  18  -1.919   3.839   5.883
  128   HG23  ILE  18          3HG2      ILE  18  -2.644   3.728   4.278
  129   HD11  ILE  18          1HD1      ILE  18   0.843   5.011   6.488
  130   HD12  ILE  18          2HD1      ILE  18  -0.761   5.071   7.223
  131   HD13  ILE  18          3HD1      ILE  18   0.331   6.443   7.385
  132    H    CYS  19           HN       CYS  19  -0.405   1.760   4.077
  133    HA   CYS  19           HA       CYS  19  -0.915   1.534   1.217
  134    HB2  CYS  19          2HB       CYS  19  -0.774  -0.689   3.250
  135    HB3  CYS  19          1HB       CYS  19  -0.652  -0.782   1.510
  136    H    VAL  20           HN       VAL  20  -2.979   1.850   0.656
  137    HA   VAL  20           HA       VAL  20  -5.043   1.104   2.570
  138    HB   VAL  20           HB       VAL  20  -5.188   2.993   0.202
  139   HG11  VAL  20          1HG1      VAL  20  -7.328   1.921   0.631
  140   HG12  VAL  20          2HG1      VAL  20  -7.387   3.622   1.086
  141   HG13  VAL  20          3HG1      VAL  20  -7.236   2.383   2.331
  142   HG21  VAL  20          1HG2      VAL  20  -5.376   4.774   1.889
  143   HG22  VAL  20          2HG2      VAL  20  -3.836   3.922   1.999
  144   HG23  VAL  20          3HG2      VAL  20  -5.116   3.580   3.161
  145    HA   PRO  21           HA       PRO  21  -6.015  -2.061  -0.528
  146    HB2  PRO  21          2HB       PRO  21  -8.057  -2.785   1.474
  147    HB3  PRO  21          1HB       PRO  21  -6.775  -3.792   0.799
  148    HG2  PRO  21          2HG       PRO  21  -6.724  -2.933   3.351
  149    HG3  PRO  21          1HG       PRO  21  -5.246  -3.154   2.398
  150    HD2  PRO  21          2HD       PRO  21  -6.714  -0.627   3.057
  151    HD3  PRO  21          1HD       PRO  21  -4.964  -0.940   2.989
  152    H    MET  22           HN       MET  22  -7.184  -1.113  -2.086
  153    HA   MET  22           HA       MET  22  -9.129   0.778  -1.447
  154    HB2  MET  22          2HB       MET  22  -7.634   0.974  -3.409
  155    HB3  MET  22          1HB       MET  22  -8.539  -0.384  -4.114
  156    HG2  MET  22          2HG       MET  22 -10.532   0.943  -4.216
  157    HG3  MET  22          1HG       MET  22  -9.719   2.282  -3.407
  158    HE1  MET  22          1HE       MET  22  -8.310  -0.096  -6.274
  159    HE2  MET  22          2HE       MET  22  -8.741   0.850  -7.698
  160    HE3  MET  22          3HE       MET  22 -10.005   0.154  -6.687
  161    H    ILE  23           HN       ILE  23 -11.200   0.627  -1.729
  162    HA   ILE  23           HA       ILE  23 -12.375  -1.934  -2.409
  163    HB   ILE  23           HB       ILE  23 -12.079  -1.869  -0.004
  164   HG12  ILE  23          2HG1      ILE  23 -14.435  -2.342   0.724
  165   HG13  ILE  23          1HG1      ILE  23 -14.977  -1.708  -0.827
  166   HG21  ILE  23          1HG2      ILE  23 -12.103   0.444   0.517
  167   HG22  ILE  23          2HG2      ILE  23 -13.358  -0.351   1.470
  168   HG23  ILE  23          3HG2      ILE  23 -13.794   0.588   0.042
  169   HD11  ILE  23          1HD1      ILE  23 -13.760  -3.478  -1.981
  170   HD12  ILE  23          2HD1      ILE  23 -14.900  -4.145  -0.818
  171   HD13  ILE  23          3HD1      ILE  23 -13.180  -4.094  -0.435
  172    HN1  NH2  24           HN1      NH2  24 -13.563  -1.504  -4.101
  173    HN2  NH2  24           HN2      NH2  24 -14.531  -0.102  -4.358
  Start of MODEL    7
    1    H1   ALA   1          1HT       ALA   1   5.689   8.502  -1.337
    2    H2   ALA   1          2HT       ALA   1   6.526   7.603  -0.194
    3    H3   ALA   1          3HT       ALA   1   4.864   7.817  -0.027
    4    HA   ALA   1           HA       ALA   1   4.480   6.517  -1.999
    5    HB1  ALA   1          1HB       ALA   1   6.393   5.372  -3.052
    6    HB2  ALA   1          2HB       ALA   1   7.486   6.208  -1.959
    7    HB3  ALA   1          3HB       ALA   1   6.566   7.124  -3.150
    8    H    CYS   2           HN       CYS   2   5.361   3.930  -1.985
    9    HA   CYS   2           HA       CYS   2   4.739   3.062   0.681
   10    HB2  CYS   2          2HB       CYS   2   5.589   1.423  -1.706
   11    HB3  CYS   2          1HB       CYS   2   4.773   0.839  -0.268
   12    H    LYS   3           HN       LYS   3   6.190   2.444   2.143
   13    HA   LYS   3           HA       LYS   3   9.029   2.572   1.404
   14    HB2  LYS   3          2HB       LYS   3   7.902   2.324   4.186
   15    HB3  LYS   3          1HB       LYS   3   9.516   2.841   3.728
   16    HG2  LYS   3          2HG       LYS   3   8.565   4.878   2.748
   17    HG3  LYS   3          1HG       LYS   3   6.962   4.358   3.254
   18    HD2  LYS   3          2HD       LYS   3   9.302   5.058   5.028
   19    HD3  LYS   3          1HD       LYS   3   7.795   5.949   4.856
   20    HE2  LYS   3          2HE       LYS   3   8.199   3.237   6.129
   21    HE3  LYS   3          1HE       LYS   3   7.721   4.732   6.920
   22    HZ1  LYS   3          1HZ       LYS   3   5.627   4.587   5.496
   23    HZ2  LYS   3          2HZ       LYS   3   5.836   3.456   6.707
   24    HZ3  LYS   3          3HZ       LYS   3   6.118   2.988   5.146
   25    H    GLU   4           HN       GLU   4   6.848   0.633   3.430
   26    HA   GLU   4           HA       GLU   4   8.524  -1.626   2.837
   27    HB2  GLU   4          2HB       GLU   4   7.623  -2.645   4.793
   28    HB3  GLU   4          1HB       GLU   4   8.601  -1.209   5.104
   29    HG2  GLU   4          2HG       GLU   4   5.547  -1.304   5.193
   30    HG3  GLU   4          1HG       GLU   4   6.558  -1.435   6.623
   31    H    TYR   5           HN       TYR   5   7.649  -2.052   1.089
   32    HA   TYR   5           HA       TYR   5   4.829  -2.321   0.519
   33    HB2  TYR   5          2HB       TYR   5   6.651  -1.905  -1.195
   34    HB3  TYR   5          1HB       TYR   5   7.097  -3.587  -1.017
   35    HD1  TYR   5          1HD       TYR   5   5.982  -5.283  -2.241
   36    HD2  TYR   5          2HD       TYR   5   4.320  -1.366  -2.070
   37    HE1  TYR   5          1HE       TYR   5   4.377  -5.885  -3.987
   38    HE2  TYR   5          2HE       TYR   5   2.715  -1.962  -3.798
   39    HH   TYR   5           HH       TYR   5   2.583  -3.598  -5.650
   40    H    TRP   6           HN       TRP   6   7.394  -4.446   1.230
   41    HA   TRP   6           HA       TRP   6   6.083  -6.941   1.081
   42    HB2  TRP   6          2HB       TRP   6   8.001  -7.764   2.498
   43    HB3  TRP   6          1HB       TRP   6   8.450  -6.910   1.024
   44    HD1  TRP   6          1HD       TRP   6   9.692  -4.584   1.272
   45    HE1  TRP   6          1HE       TRP   6  10.885  -3.437   3.228
   46    HE3  TRP   6          3HE       TRP   6   7.925  -7.473   5.111
   47    HZ2  TRP   6          2HZ       TRP   6  11.055  -3.706   6.036
   48    HZ3  TRP   6          3HZ       TRP   6   8.655  -6.957   7.402
   49    HH2  TRP   6          2HH       TRP   6  10.188  -5.116   7.850
   50    H    GLU   7           HN       GLU   7   6.015  -4.528   3.523
   51    HA   GLU   7           HA       GLU   7   5.015  -6.358   5.557
   52    HB2  GLU   7          2HB       GLU   7   6.619  -4.591   6.190
   53    HB3  GLU   7          1HB       GLU   7   5.500  -3.373   5.611
   54    HG2  GLU   7          2HG       GLU   7   5.391  -3.408   7.987
   55    HG3  GLU   7          1HG       GLU   7   3.901  -4.103   7.360
   56    H    CYS   8           HN       CYS   8   3.881  -4.300   3.126
   57    HA   CYS   8           HA       CYS   8   1.271  -4.012   4.300
   58    HB2  CYS   8          2HB       CYS   8   2.473  -3.000   1.736
   59    HB3  CYS   8          1HB       CYS   8   0.832  -2.671   2.272
   60    H    GLY   9           HN       GLY   9   2.853  -5.618   1.622
   61    HA2  GLY   9          2HA       GLY   9   1.966  -7.919   1.251
   62    HA3  GLY   9          1HA       GLY   9   0.377  -7.159   1.236
   63    H    ALA  10           HN       ALA  10   0.949  -8.595  -0.877
   64    HA   ALA  10           HA       ALA  10   2.295  -7.039  -2.887
   65    HB1  ALA  10          1HB       ALA  10   1.757  -8.863  -4.400
   66    HB2  ALA  10          2HB       ALA  10   0.690  -9.571  -3.192
   67    HB3  ALA  10          3HB       ALA  10   2.428  -9.496  -2.895
   68    H    PHE  11           HN       PHE  11   1.438  -5.728  -4.318
   69    HA   PHE  11           HA       PHE  11   0.075  -4.553  -5.553
   70    HB2  PHE  11          2HB       PHE  11  -1.987  -6.682  -4.956
   71    HB3  PHE  11          1HB       PHE  11  -2.234  -5.363  -6.098
   72    HD1  PHE  11          1HD       PHE  11  -0.952  -8.659  -5.633
   73    HD2  PHE  11          2HD       PHE  11  -0.582  -5.167  -8.033
   74    HE1  PHE  11          1HE       PHE  11   0.141  -9.983  -7.383
   75    HE2  PHE  11          2HE       PHE  11   0.510  -6.492  -9.795
   76    HZ   PHE  11           HZ       PHE  11   0.870  -8.908  -9.467
   77    H    LEU  12           HN       LEU  12   0.408  -4.121  -2.741
   78    HA   LEU  12           HA       LEU  12  -2.018  -2.679  -2.076
   79    HB2  LEU  12          2HB       LEU  12   0.444  -3.417  -0.597
   80    HB3  LEU  12          1HB       LEU  12  -0.295  -1.891  -0.175
   81    HG   LEU  12           HG       LEU  12  -0.988  -3.638   1.356
   82   HD11  LEU  12          1HD1      LEU  12  -3.401  -3.381   1.217
   83   HD12  LEU  12          2HD1      LEU  12  -3.249  -2.758  -0.421
   84   HD13  LEU  12          3HD1      LEU  12  -2.555  -1.864   0.930
   85   HD21  LEU  12          1HD2      LEU  12  -0.773  -5.579  -0.107
   86   HD22  LEU  12          2HD2      LEU  12  -2.141  -5.018  -1.066
   87   HD23  LEU  12          3HD2      LEU  12  -2.383  -5.513   0.610
   88    H    PHE  13           HN       PHE  13  -2.302  -0.730  -2.813
   89    HA   PHE  13           HA       PHE  13   0.009   0.797  -3.663
   90    HB2  PHE  13          2HB       PHE  13  -2.946   1.314  -4.058
   91    HB3  PHE  13          1HB       PHE  13  -1.638   2.295  -4.718
   92    HD1  PHE  13          1HD       PHE  13   0.101   1.024  -6.159
   93    HD2  PHE  13          2HD       PHE  13  -3.825  -0.385  -5.350
   94    HE1  PHE  13          1HE       PHE  13   0.219  -0.422  -8.141
   95    HE2  PHE  13          2HE       PHE  13  -3.718  -1.830  -7.329
   96    HZ   PHE  13           HZ       PHE  13  -1.689  -1.848  -8.729
   97    H    CYS  14           HN       CYS  14   0.128   3.057  -3.034
   98    HA   CYS  14           HA       CYS  14  -0.766   3.286  -0.260
   99    HB2  CYS  14          2HB       CYS  14   1.774   4.303  -1.501
  100    HB3  CYS  14          1HB       CYS  14   1.270   4.569   0.165
  101    H    ILE  15           HN       ILE  15  -1.270   5.251   0.570
  102    HA   ILE  15           HA       ILE  15  -1.334   7.611  -1.080
  103    HB   ILE  15           HB       ILE  15  -3.694   6.657   0.612
  104   HG12  ILE  15          2HG1      ILE  15  -3.577   6.983  -2.403
  105   HG13  ILE  15          1HG1      ILE  15  -3.617   5.447  -1.544
  106   HG21  ILE  15          1HG2      ILE  15  -3.407   9.052   0.710
  107   HG22  ILE  15          2HG2      ILE  15  -4.842   8.673  -0.246
  108   HG23  ILE  15          3HG2      ILE  15  -3.346   9.151  -1.049
  109   HD11  ILE  15          1HD1      ILE  15  -5.802   6.001  -2.458
  110   HD12  ILE  15          2HD1      ILE  15  -5.804   7.523  -1.567
  111   HD13  ILE  15          3HD1      ILE  15  -5.853   5.992  -0.696
  112    H    GLU  16           HN       GLU  16  -0.248   8.984   0.130
  113    HA   GLU  16           HA       GLU  16   0.631  10.186   1.825
  114    HB2  GLU  16          2HB       GLU  16  -1.363   8.638   3.364
  115    HB3  GLU  16          1HB       GLU  16  -0.306   9.873   4.083
  116    HG2  GLU  16          2HG       GLU  16  -1.422  11.577   2.807
  117    HG3  GLU  16          1HG       GLU  16  -2.322  10.365   1.890
  118    H    GLY  17           HN       GLY  17   1.269   7.196   1.176
  119    HA2  GLY  17          2HA       GLY  17   3.171   5.965   1.800
  120    HA3  GLY  17          1HA       GLY  17   3.244   6.893   3.296
  121    H    ILE  18           HN       ILE  18   0.137   6.071   2.892
  122    HA   ILE  18           HA       ILE  18   0.333   3.804   4.708
  123    HB   ILE  18           HB       ILE  18  -2.061   5.423   3.776
  124   HG12  ILE  18          2HG1      ILE  18  -0.593   5.559   6.420
  125   HG13  ILE  18          1HG1      ILE  18  -0.443   6.739   5.124
  126   HG21  ILE  18          1HG2      ILE  18  -1.831   3.370   5.979
  127   HG22  ILE  18          2HG2      ILE  18  -2.702   3.180   4.458
  128   HG23  ILE  18          3HG2      ILE  18  -3.256   4.356   5.650
  129   HD11  ILE  18          1HD1      ILE  18  -1.932   7.521   6.878
  130   HD12  ILE  18          2HD1      ILE  18  -2.959   6.106   6.647
  131   HD13  ILE  18          3HD1      ILE  18  -2.800   7.301   5.363
  132    H    CYS  19           HN       CYS  19   0.045   1.802   3.858
  133    HA   CYS  19           HA       CYS  19  -0.649   1.517   1.086
  134    HB2  CYS  19          2HB       CYS  19  -0.351  -0.703   3.140
  135    HB3  CYS  19          1HB       CYS  19  -0.141  -0.773   1.408
  136    H    VAL  20           HN       VAL  20  -2.720   1.444   0.455
  137    HA   VAL  20           HA       VAL  20  -4.670   0.552   2.410
  138    HB   VAL  20           HB       VAL  20  -4.638   2.962   2.588
  139   HG11  VAL  20          1HG1      VAL  20  -5.175   4.444   0.725
  140   HG12  VAL  20          2HG1      VAL  20  -5.152   3.061  -0.370
  141   HG13  VAL  20          3HG1      VAL  20  -3.675   3.553   0.460
  142   HG21  VAL  20          1HG2      VAL  20  -6.973   3.506   2.061
  143   HG22  VAL  20          2HG2      VAL  20  -6.829   1.907   2.791
  144   HG23  VAL  20          3HG2      VAL  20  -7.077   2.063   1.054
  145    HA   PRO  21           HA       PRO  21  -6.299  -1.401  -1.240
  146    HB2  PRO  21          2HB       PRO  21  -8.183  -2.868  -0.004
  147    HB3  PRO  21          1HB       PRO  21  -6.476  -3.301   0.076
  148    HG2  PRO  21          2HG       PRO  21  -8.193  -2.012   2.134
  149    HG3  PRO  21          1HG       PRO  21  -6.848  -3.145   2.336
  150    HD2  PRO  21          2HD       PRO  21  -6.723  -0.378   2.664
  151    HD3  PRO  21          1HD       PRO  21  -5.338  -1.467   2.456
  152    H    MET  22           HN       MET  22  -8.064  -0.933  -2.557
  153    HA   MET  22           HA       MET  22  -9.598   1.247  -1.692
  154    HB2  MET  22          2HB       MET  22  -8.618   1.180  -3.946
  155    HB3  MET  22          1HB       MET  22  -9.664  -0.192  -4.320
  156    HG2  MET  22          2HG       MET  22 -11.624   1.221  -4.079
  157    HG3  MET  22          1HG       MET  22 -10.598   2.592  -3.665
  158    HE1  MET  22          1HE       MET  22 -12.807   2.698  -5.950
  159    HE2  MET  22          2HE       MET  22 -11.915   3.564  -7.204
  160    HE3  MET  22          3HE       MET  22 -11.761   4.052  -5.518
  161    H    ILE  23           HN       ILE  23 -11.829   1.304  -1.822
  162    HA   ILE  23           HA       ILE  23 -13.153  -1.105  -0.975
  163    HB   ILE  23           HB       ILE  23 -13.704   0.808   0.320
  164   HG12  ILE  23          2HG1      ILE  23 -16.171   1.108   0.018
  165   HG13  ILE  23          1HG1      ILE  23 -16.045   0.259  -1.515
  166   HG21  ILE  23          1HG2      ILE  23 -13.039   2.595  -1.087
  167   HG22  ILE  23          2HG2      ILE  23 -14.699   2.884  -0.564
  168   HG23  ILE  23          3HG2      ILE  23 -14.375   2.287  -2.192
  169   HD11  ILE  23          1HD1      ILE  23 -15.282  -1.738  -0.343
  170   HD12  ILE  23          2HD1      ILE  23 -16.855  -1.198   0.246
  171   HD13  ILE  23          3HD1      ILE  23 -15.402  -0.882   1.193
  172    HN1  NH2  24           HN1      NH2  24 -13.458  -2.432  -2.615
  173    HN2  NH2  24           HN2      NH2  24 -14.257  -2.065  -4.101
  Start of MODEL    8
    1    H1   ALA   1          1HT       ALA   1   5.169   6.057  -3.286
    2    H2   ALA   1          2HT       ALA   1   5.882   6.872  -1.997
    3    H3   ALA   1          3HT       ALA   1   4.996   7.721  -3.147
    4    HA   ALA   1           HA       ALA   1   3.764   7.516  -1.128
    5    HB1  ALA   1          1HB       ALA   1   1.706   6.605  -2.049
    6    HB2  ALA   1          2HB       ALA   1   2.615   5.801  -3.329
    7    HB3  ALA   1          3HB       ALA   1   2.552   7.564  -3.262
    8    H    CYS   2           HN       CYS   2   4.767   4.342  -2.419
    9    HA   CYS   2           HA       CYS   2   3.957   3.077   0.074
   10    HB2  CYS   2          2HB       CYS   2   5.193   1.871  -2.429
   11    HB3  CYS   2          1HB       CYS   2   4.458   0.992  -1.098
   12    H    LYS   3           HN       LYS   3   5.600   2.184   1.470
   13    HA   LYS   3           HA       LYS   3   8.277   3.170   0.809
   14    HB2  LYS   3          2HB       LYS   3   7.171   2.382   3.519
   15    HB3  LYS   3          1HB       LYS   3   8.748   3.081   3.196
   16    HG2  LYS   3          2HG       LYS   3   7.721   5.144   2.433
   17    HG3  LYS   3          1HG       LYS   3   6.120   4.451   2.667
   18    HD2  LYS   3          2HD       LYS   3   6.638   5.889   4.530
   19    HD3  LYS   3          1HD       LYS   3   6.624   4.214   5.079
   20    HE2  LYS   3          2HE       LYS   3   9.048   4.141   5.027
   21    HE3  LYS   3          1HE       LYS   3   9.099   5.774   4.362
   22    HZ1  LYS   3          1HZ       LYS   3   8.105   6.586   6.414
   23    HZ2  LYS   3          2HZ       LYS   3   9.538   5.781   6.721
   24    HZ3  LYS   3          3HZ       LYS   3   8.084   5.030   7.059
   25    H    GLU   4           HN       GLU   4   6.693   0.412   2.453
   26    HA   GLU   4           HA       GLU   4   8.580  -1.360   1.179
   27    HB2  GLU   4          2HB       GLU   4   7.749  -1.296   4.041
   28    HB3  GLU   4          1HB       GLU   4   8.539  -2.672   3.305
   29    HG2  GLU   4          2HG       GLU   4  10.489  -1.281   2.758
   30    HG3  GLU   4          1HG       GLU   4   9.709   0.103   3.508
   31    H    TYR   5           HN       TYR   5   7.500  -2.610   0.022
   32    HA   TYR   5           HA       TYR   5   4.673  -2.772  -0.129
   33    HB2  TYR   5          2HB       TYR   5   6.242  -3.043  -2.018
   34    HB3  TYR   5          1HB       TYR   5   6.766  -4.554  -1.342
   35    HD1  TYR   5          1HD       TYR   5   5.821  -6.535  -2.033
   36    HD2  TYR   5          2HD       TYR   5   3.621  -2.930  -2.565
   37    HE1  TYR   5          1HE       TYR   5   4.125  -7.768  -3.276
   38    HE2  TYR   5          2HE       TYR   5   1.914  -4.151  -3.813
   39    HH   TYR   5           HH       TYR   5   1.896  -7.629  -3.975
   40    H    TRP   6           HN       TRP   6   7.087  -4.925   0.991
   41    HA   TRP   6           HA       TRP   6   5.510  -7.199   1.544
   42    HB2  TRP   6          2HB       TRP   6   7.356  -8.129   2.734
   43    HB3  TRP   6          1HB       TRP   6   8.066  -7.088   1.510
   44    HD1  TRP   6          1HD       TRP   6   8.958  -4.607   2.498
   45    HE1  TRP   6          1HE       TRP   6  10.026  -4.077   4.792
   46    HE3  TRP   6          3HE       TRP   6   7.506  -8.783   5.050
   47    HZ2  TRP   6          2HZ       TRP   6  10.239  -5.301   7.329
   48    HZ3  TRP   6          3HZ       TRP   6   8.196  -9.035   7.405
   49    HH2  TRP   6          2HH       TRP   6   9.536  -7.322   8.508
   50    H    GLU   7           HN       GLU   7   5.915  -4.290   3.368
   51    HA   GLU   7           HA       GLU   7   4.830  -5.247   5.834
   52    HB2  GLU   7          2HB       GLU   7   5.706  -2.639   4.698
   53    HB3  GLU   7          1HB       GLU   7   4.752  -2.675   6.170
   54    HG2  GLU   7          2HG       GLU   7   7.284  -4.241   5.840
   55    HG3  GLU   7          1HG       GLU   7   7.255  -2.581   6.443
   56    H    CYS   8           HN       CYS   8   3.619  -4.125   2.893
   57    HA   CYS   8           HA       CYS   8   1.185  -3.164   4.104
   58    HB2  CYS   8          2HB       CYS   8   2.317  -2.846   1.348
   59    HB3  CYS   8          1HB       CYS   8   0.821  -2.132   1.935
   60    H    GLY   9           HN       GLY   9   2.304  -5.508   1.725
   61    HA2  GLY   9          2HA       GLY   9   0.959  -7.649   1.947
   62    HA3  GLY   9          1HA       GLY   9  -0.441  -6.607   1.737
   63    H    ALA  10           HN       ALA  10  -1.225  -7.379  -0.150
   64    HA   ALA  10           HA       ALA  10   0.603  -7.381  -2.442
   65    HB1  ALA  10          1HB       ALA  10  -0.355  -9.572  -1.904
   66    HB2  ALA  10          2HB       ALA  10  -0.895  -8.978  -3.476
   67    HB3  ALA  10          3HB       ALA  10  -1.974  -8.894  -2.085
   68    H    PHE  11           HN       PHE  11   0.362  -5.789  -3.781
   69    HA   PHE  11           HA       PHE  11  -0.355  -3.923  -4.786
   70    HB2  PHE  11          2HB       PHE  11  -2.740  -5.696  -5.335
   71    HB3  PHE  11          1HB       PHE  11  -2.376  -4.208  -6.199
   72    HD1  PHE  11          1HD       PHE  11  -0.096  -4.085  -7.389
   73    HD2  PHE  11          2HD       PHE  11  -1.856  -7.717  -6.065
   74    HE1  PHE  11          1HE       PHE  11   1.317  -5.334  -8.963
   75    HE2  PHE  11          2HE       PHE  11  -0.443  -8.979  -7.636
   76    HZ   PHE  11           HZ       PHE  11   1.145  -7.787  -9.087
   77    H    LEU  12           HN       LEU  12  -0.511  -2.337  -3.366
   78    HA   LEU  12           HA       LEU  12  -3.086  -2.000  -2.012
   79    HB2  LEU  12          2HB       LEU  12  -0.401  -1.042  -1.020
   80    HB3  LEU  12          1HB       LEU  12  -1.935  -0.908  -0.204
   81    HG   LEU  12           HG       LEU  12  -0.794  -2.571   0.927
   82   HD11  LEU  12          1HD1      LEU  12  -2.003  -4.625   0.550
   83   HD12  LEU  12          2HD1      LEU  12  -2.625  -3.964  -0.962
   84   HD13  LEU  12          3HD1      LEU  12  -3.034  -3.194   0.576
   85   HD21  LEU  12          1HD2      LEU  12  -0.070  -3.835  -1.711
   86   HD22  LEU  12          2HD2      LEU  12   0.321  -4.487  -0.120
   87   HD23  LEU  12          3HD2      LEU  12   1.021  -2.954  -0.642
   88    H    PHE  13           HN       PHE  13  -3.572   0.200  -1.491
   89    HA   PHE  13           HA       PHE  13  -2.560   2.062  -3.493
   90    HB2  PHE  13          2HB       PHE  13  -5.068   1.672  -3.314
   91    HB3  PHE  13          1HB       PHE  13  -4.984   2.305  -1.675
   92    HD1  PHE  13          1HD       PHE  13  -4.844   3.106  -5.223
   93    HD2  PHE  13          2HD       PHE  13  -4.621   4.675  -1.273
   94    HE1  PHE  13          1HE       PHE  13  -5.112   5.381  -6.112
   95    HE2  PHE  13          2HE       PHE  13  -4.894   6.947  -2.159
   96    HZ   PHE  13           HZ       PHE  13  -5.140   7.301  -4.577
   97    H    CYS  14           HN       CYS  14  -1.007   3.346  -2.673
   98    HA   CYS  14           HA       CYS  14  -0.822   3.443   0.239
   99    HB2  CYS  14          2HB       CYS  14   1.292   4.164  -1.756
  100    HB3  CYS  14          1HB       CYS  14   1.477   3.961  -0.023
  101    H    ILE  15           HN       ILE  15  -1.017   5.241   1.285
  102    HA   ILE  15           HA       ILE  15  -0.922   7.714  -0.177
  103    HB   ILE  15           HB       ILE  15  -3.249   7.316  -0.034
  104   HG12  ILE  15          2HG1      ILE  15  -2.460   9.261   2.152
  105   HG13  ILE  15          1HG1      ILE  15  -2.576   9.613   0.437
  106   HG21  ILE  15          1HG2      ILE  15  -4.471   6.862   2.058
  107   HG22  ILE  15          2HG2      ILE  15  -2.927   6.724   2.904
  108   HG23  ILE  15          3HG2      ILE  15  -3.339   5.578   1.630
  109   HD11  ILE  15          1HD1      ILE  15  -4.860   8.862   2.243
  110   HD12  ILE  15          2HD1      ILE  15  -4.986   9.225   0.522
  111   HD13  ILE  15          3HD1      ILE  15  -4.485  10.481   1.657
  112    H    GLU  16           HN       GLU  16   0.707   8.602   0.515
  113    HA   GLU  16           HA       GLU  16   2.207   9.688   1.719
  114    HB2  GLU  16          2HB       GLU  16  -0.053  10.459   2.735
  115    HB3  GLU  16          1HB       GLU  16   0.473   9.510   4.122
  116    HG2  GLU  16          2HG       GLU  16   2.530  10.773   4.187
  117    HG3  GLU  16          1HG       GLU  16   1.957  11.749   2.842
  118    H    GLY  17           HN       GLY  17   1.982   6.721   1.827
  119    HA2  GLY  17          2HA       GLY  17   3.847   5.378   2.559
  120    HA3  GLY  17          1HA       GLY  17   3.906   6.341   4.028
  121    H    ILE  18           HN       ILE  18   0.784   5.996   3.686
  122    HA   ILE  18           HA       ILE  18   0.682   3.561   5.283
  123    HB   ILE  18           HB       ILE  18  -1.462   5.663   4.766
  124   HG12  ILE  18          2HG1      ILE  18   0.204   5.137   7.242
  125   HG13  ILE  18          1HG1      ILE  18   0.391   6.508   6.158
  126   HG21  ILE  18          1HG2      ILE  18  -1.492   3.295   6.650
  127   HG22  ILE  18          2HG2      ILE  18  -2.443   3.461   5.177
  128   HG23  ILE  18          3HG2      ILE  18  -2.742   4.536   6.543
  129   HD11  ILE  18          1HD1      ILE  18  -1.843   7.294   6.793
  130   HD12  ILE  18          2HD1      ILE  18  -0.782   7.135   8.192
  131   HD13  ILE  18          3HD1      ILE  18  -2.013   5.912   7.874
  132    H    CYS  19           HN       CYS  19   0.170   1.760   4.252
  133    HA   CYS  19           HA       CYS  19  -0.899   1.941   1.560
  134    HB2  CYS  19          2HB       CYS  19  -0.027  -0.484   3.102
  135    HB3  CYS  19          1HB       CYS  19  -0.298  -0.347   1.373
  136    H    VAL  20           HN       VAL  20  -3.039   1.823   1.322
  137    HA   VAL  20           HA       VAL  20  -4.525   0.301   3.310
  138    HB   VAL  20           HB       VAL  20  -6.539   1.472   2.537
  139   HG11  VAL  20          1HG1      VAL  20  -5.290   2.552   4.298
  140   HG12  VAL  20          2HG1      VAL  20  -5.998   3.773   3.239
  141   HG13  VAL  20          3HG1      VAL  20  -4.284   3.382   3.113
  142   HG21  VAL  20          1HG2      VAL  20  -5.969   1.739   0.187
  143   HG22  VAL  20          2HG2      VAL  20  -4.724   2.918   0.606
  144   HG23  VAL  20          3HG2      VAL  20  -6.425   3.289   0.892
  145    HA   PRO  21           HA       PRO  21  -5.209  -2.918   0.360
  146    HB2  PRO  21          2HB       PRO  21  -8.102  -2.867   1.021
  147    HB3  PRO  21          1HB       PRO  21  -6.940  -4.191   1.165
  148    HG2  PRO  21          2HG       PRO  21  -7.851  -2.934   3.334
  149    HG3  PRO  21          1HG       PRO  21  -6.164  -3.472   3.223
  150    HD2  PRO  21          2HD       PRO  21  -7.306  -0.731   2.865
  151    HD3  PRO  21          1HD       PRO  21  -5.817  -1.237   3.693
  152    H    MET  22           HN       MET  22  -5.297  -2.578  -1.791
  153    HA   MET  22           HA       MET  22  -6.646  -0.356  -2.770
  154    HB2  MET  22          2HB       MET  22  -4.641  -0.971  -3.838
  155    HB3  MET  22          1HB       MET  22  -5.277  -2.583  -4.238
  156    HG2  MET  22          2HG       MET  22  -5.187  -1.137  -6.202
  157    HG3  MET  22          1HG       MET  22  -6.852  -1.536  -5.788
  158    HE1  MET  22          1HE       MET  22  -7.232   2.079  -7.215
  159    HE2  MET  22          2HE       MET  22  -7.796   0.410  -7.299
  160    HE3  MET  22          3HE       MET  22  -6.149   0.811  -7.786
  161    H    ILE  23           HN       ILE  23  -8.346  -0.246  -3.890
  162    HA   ILE  23           HA       ILE  23 -10.174  -2.538  -3.802
  163    HB   ILE  23           HB       ILE  23 -10.868   0.417  -3.945
  164   HG12  ILE  23          2HG1      ILE  23 -11.032  -1.553  -1.641
  165   HG13  ILE  23          1HG1      ILE  23  -9.851  -0.270  -1.801
  166   HG21  ILE  23          1HG2      ILE  23 -12.566  -0.968  -5.017
  167   HG22  ILE  23          2HG2      ILE  23 -13.175  -0.353  -3.477
  168   HG23  ILE  23          3HG2      ILE  23 -12.623  -2.023  -3.605
  169   HD11  ILE  23          1HD1      ILE  23 -11.611   1.390  -1.617
  170   HD12  ILE  23          2HD1      ILE  23 -11.610   0.305  -0.226
  171   HD13  ILE  23          3HD1      ILE  23 -12.819   0.111  -1.497
  172    HN1  NH2  24           HN1      NH2  24  -9.895  -3.532  -5.674
  173    HN2  NH2  24           HN2      NH2  24  -9.979  -2.800  -7.238
  Start of MODEL    9
    1    H1   ALA   1          1HT       ALA   1   6.683   8.296  -1.475
    2    H2   ALA   1          2HT       ALA   1   7.454   7.357  -0.288
    3    H3   ALA   1          3HT       ALA   1   5.811   7.588  -0.225
    4    HA   ALA   1           HA       ALA   1   5.436   6.321  -2.169
    5    HB1  ALA   1          1HB       ALA   1   8.430   5.941  -2.141
    6    HB2  ALA   1          2HB       ALA   1   7.515   6.857  -3.340
    7    HB3  ALA   1          3HB       ALA   1   7.302   5.110  -3.209
    8    H    CYS   2           HN       CYS   2   5.445   3.870  -2.059
    9    HA   CYS   2           HA       CYS   2   5.376   3.016   0.671
   10    HB2  CYS   2          2HB       CYS   2   5.238   1.345  -1.830
   11    HB3  CYS   2          1HB       CYS   2   4.629   0.906  -0.251
   12    H    LYS   3           HN       LYS   3   7.004   1.983   1.739
   13    HA   LYS   3           HA       LYS   3   9.458   1.538   0.185
   14    HB2  LYS   3          2HB       LYS   3   9.084   1.690   3.183
   15    HB3  LYS   3          1HB       LYS   3  10.617   1.391   2.390
   16    HG2  LYS   3          2HG       LYS   3   8.955   3.901   2.212
   17    HG3  LYS   3          1HG       LYS   3  10.469   3.697   3.092
   18    HD2  LYS   3          2HD       LYS   3  10.122   3.503   0.092
   19    HD3  LYS   3          1HD       LYS   3  10.796   4.870   0.965
   20    HE2  LYS   3          2HE       LYS   3  12.664   3.508   1.728
   21    HE3  LYS   3          1HE       LYS   3  11.961   2.084   0.960
   22    HZ1  LYS   3          1HZ       LYS   3  12.869   4.522  -0.471
   23    HZ2  LYS   3          2HZ       LYS   3  12.200   3.161  -1.175
   24    HZ3  LYS   3          3HZ       LYS   3  13.701   3.048  -0.427
   25    H    GLU   4           HN       GLU   4   7.647  -0.036   2.777
   26    HA   GLU   4           HA       GLU   4   8.730  -2.544   1.816
   27    HB2  GLU   4          2HB       GLU   4   7.076  -2.073   4.262
   28    HB3  GLU   4          1HB       GLU   4   8.019  -3.492   3.828
   29    HG2  GLU   4          2HG       GLU   4   9.160  -0.788   4.537
   30    HG3  GLU   4          1HG       GLU   4   9.117  -2.186   5.604
   31    H    TYR   5           HN       TYR   5   7.602  -3.004   0.229
   32    HA   TYR   5           HA       TYR   5   4.857  -2.488  -0.311
   33    HB2  TYR   5          2HB       TYR   5   6.630  -2.929  -2.002
   34    HB3  TYR   5          1HB       TYR   5   6.686  -4.597  -1.474
   35    HD1  TYR   5          1HD       TYR   5   4.479  -2.048  -3.011
   36    HD2  TYR   5          2HD       TYR   5   5.281  -6.193  -2.481
   37    HE1  TYR   5          1HE       TYR   5   2.856  -2.575  -4.748
   38    HE2  TYR   5          2HE       TYR   5   3.650  -6.738  -4.218
   39    HH   TYR   5           HH       TYR   5   2.489  -4.404  -6.325
   40    H    TRP   6           HN       TRP   6   6.563  -5.343   0.520
   41    HA   TRP   6           HA       TRP   6   4.565  -7.236   0.842
   42    HB2  TRP   6          2HB       TRP   6   6.361  -8.339   2.337
   43    HB3  TRP   6          1HB       TRP   6   6.747  -8.011   0.646
   44    HD1  TRP   6          1HD       TRP   6   7.659  -6.860   4.186
   45    HE1  TRP   6          1HE       TRP   6   9.755  -5.342   4.035
   46    HE3  TRP   6          3HE       TRP   6   8.047  -6.448  -0.891
   47    HZ2  TRP   6          2HZ       TRP   6  11.327  -4.162   2.056
   48    HZ3  TRP   6          3HZ       TRP   6   9.875  -5.108  -1.832
   49    HH2  TRP   6          2HH       TRP   6  11.481  -3.993  -0.380
   50    H    GLU   7           HN       GLU   7   5.537  -4.726   3.005
   51    HA   GLU   7           HA       GLU   7   4.533  -5.845   5.435
   52    HB2  GLU   7          2HB       GLU   7   6.213  -3.981   5.270
   53    HB3  GLU   7          1HB       GLU   7   4.915  -2.927   4.735
   54    HG2  GLU   7          2HG       GLU   7   3.765  -3.397   6.905
   55    HG3  GLU   7          1HG       GLU   7   5.219  -4.254   7.403
   56    H    CYS   8           HN       CYS   8   3.235  -4.054   2.842
   57    HA   CYS   8           HA       CYS   8   0.708  -3.615   4.187
   58    HB2  CYS   8          2HB       CYS   8   1.747  -2.662   1.538
   59    HB3  CYS   8          1HB       CYS   8   0.242  -2.176   2.308
   60    H    GLY   9           HN       GLY   9   2.083  -5.113   1.321
   61    HA2  GLY   9          2HA       GLY   9   1.099  -7.419   0.985
   62    HA3  GLY   9          1HA       GLY   9  -0.440  -6.563   0.930
   63    H    ALA  10           HN       ALA  10  -0.344  -7.755  -1.205
   64    HA   ALA  10           HA       ALA  10   1.357  -6.521  -3.185
   65    HB1  ALA  10          1HB       ALA  10   0.989  -8.949  -3.215
   66    HB2  ALA  10          2HB       ALA  10   0.468  -8.171  -4.709
   67    HB3  ALA  10          3HB       ALA  10  -0.728  -8.668  -3.514
   68    H    PHE  11           HN       PHE  11   0.774  -5.074  -4.600
   69    HA   PHE  11           HA       PHE  11  -0.311  -3.530  -5.749
   70    HB2  PHE  11          2HB       PHE  11  -2.757  -5.260  -5.300
   71    HB3  PHE  11          1HB       PHE  11  -2.708  -3.880  -6.389
   72    HD1  PHE  11          1HD       PHE  11  -1.736  -7.358  -5.907
   73    HD2  PHE  11          2HD       PHE  11  -1.342  -3.952  -8.430
   74    HE1  PHE  11          1HE       PHE  11  -0.854  -8.791  -7.691
   75    HE2  PHE  11          2HE       PHE  11  -0.462  -5.377 -10.217
   76    HZ   PHE  11           HZ       PHE  11  -0.213  -7.803  -9.857
   77    H    LEU  12           HN       LEU  12  -0.070  -3.429  -2.854
   78    HA   LEU  12           HA       LEU  12  -2.241  -1.714  -2.067
   79    HB2  LEU  12          2HB       LEU  12   0.152  -2.812  -0.711
   80    HB3  LEU  12          1HB       LEU  12  -0.451  -1.281  -0.131
   81    HG   LEU  12           HG       LEU  12  -1.297  -3.099   1.227
   82   HD11  LEU  12          1HD1      LEU  12  -3.655  -2.632   1.146
   83   HD12  LEU  12          2HD1      LEU  12  -3.490  -1.920  -0.453
   84   HD13  LEU  12          3HD1      LEU  12  -2.712  -1.160   0.936
   85   HD21  LEU  12          1HD2      LEU  12  -2.587  -4.142  -1.292
   86   HD22  LEU  12          2HD2      LEU  12  -2.788  -4.796   0.337
   87   HD23  LEU  12          3HD2      LEU  12  -1.218  -4.876  -0.459
   88    H    PHE  13           HN       PHE  13  -2.360   0.265  -2.624
   89    HA   PHE  13           HA       PHE  13   0.057   1.716  -3.307
   90    HB2  PHE  13          2HB       PHE  13  -2.869   2.346  -3.756
   91    HB3  PHE  13          1HB       PHE  13  -1.567   3.475  -4.107
   92    HD1  PHE  13          1HD       PHE  13  -0.074   3.112  -5.966
   93    HD2  PHE  13          2HD       PHE  13  -3.235   0.389  -5.137
   94    HE1  PHE  13          1HE       PHE  13   0.197   2.131  -8.194
   95    HE2  PHE  13          2HE       PHE  13  -2.971  -0.606  -7.367
   96    HZ   PHE  13           HZ       PHE  13  -1.257   0.258  -8.901
   97    H    CYS  14           HN       CYS  14   0.547   3.625  -2.291
   98    HA   CYS  14           HA       CYS  14  -0.593   3.759   0.379
   99    HB2  CYS  14          2HB       CYS  14   1.952   4.968  -0.695
  100    HB3  CYS  14          1HB       CYS  14   1.406   5.037   0.970
  101    H    ILE  15           HN       ILE  15  -1.486   5.540   1.127
  102    HA   ILE  15           HA       ILE  15  -1.591   7.875  -0.548
  103    HB   ILE  15           HB       ILE  15  -3.765   6.926  -0.811
  104   HG12  ILE  15          2HG1      ILE  15  -3.920   9.042   1.351
  105   HG13  ILE  15          1HG1      ILE  15  -3.796   9.325  -0.379
  106   HG21  ILE  15          1HG2      ILE  15  -5.224   6.249   1.069
  107   HG22  ILE  15          2HG2      ILE  15  -3.850   6.464   2.154
  108   HG23  ILE  15          3HG2      ILE  15  -3.782   5.250   0.880
  109   HD11  ILE  15          1HD1      ILE  15  -6.007   8.317  -0.688
  110   HD12  ILE  15          2HD1      ILE  15  -6.060   9.691   0.416
  111   HD13  ILE  15          3HD1      ILE  15  -6.119   8.047   1.050
  112    H    GLU  16           HN       GLU  16  -0.508   9.257   0.428
  113    HA   GLU  16           HA       GLU  16   0.424  10.616   1.887
  114    HB2  GLU  16          2HB       GLU  16  -1.986  10.671   2.761
  115    HB3  GLU  16          1HB       GLU  16  -1.427   9.536   3.983
  116    HG2  GLU  16          2HG       GLU  16   0.261  11.102   4.635
  117    HG3  GLU  16          1HG       GLU  16  -0.378  12.233   3.439
  118    H    GLY  17           HN       GLY  17   1.010   7.733   1.538
  119    HA2  GLY  17          2HA       GLY  17   3.061   6.681   2.169
  120    HA3  GLY  17          1HA       GLY  17   2.935   7.453   3.745
  121    H    ILE  18           HN       ILE  18   0.016   6.629   3.665
  122    HA   ILE  18           HA       ILE  18   0.450   4.104   5.035
  123    HB   ILE  18           HB       ILE  18  -2.053   5.794   4.773
  124   HG12  ILE  18          2HG1      ILE  18  -0.084   5.569   7.062
  125   HG13  ILE  18          1HG1      ILE  18  -0.206   6.926   5.949
  126   HG21  ILE  18          1HG2      ILE  18  -2.582   3.457   5.253
  127   HG22  ILE  18          2HG2      ILE  18  -2.900   4.460   6.669
  128   HG23  ILE  18          3HG2      ILE  18  -1.450   3.463   6.604
  129   HD11  ILE  18          1HD1      ILE  18  -1.261   7.404   8.076
  130   HD12  ILE  18          2HD1      ILE  18  -2.336   6.021   7.866
  131   HD13  ILE  18          3HD1      ILE  18  -2.444   7.399   6.769
  132    H    CYS  19           HN       CYS  19  -0.002   2.183   4.127
  133    HA   CYS  19           HA       CYS  19  -1.168   2.041   1.487
  134    HB2  CYS  19          2HB       CYS  19  -0.626  -0.338   3.275
  135    HB3  CYS  19          1HB       CYS  19  -0.615  -0.216   1.538
  136    H    VAL  20           HN       VAL  20  -3.341   2.244   1.393
  137    HA   VAL  20           HA       VAL  20  -4.887   1.136   3.605
  138    HB   VAL  20           HB       VAL  20  -5.713   3.156   1.481
  139   HG11  VAL  20          1HG1      VAL  20  -7.332   2.046   3.782
  140   HG12  VAL  20          2HG1      VAL  20  -7.609   1.708   2.075
  141   HG13  VAL  20          3HG1      VAL  20  -7.841   3.341   2.698
  142   HG21  VAL  20          1HG2      VAL  20  -5.337   3.430   4.463
  143   HG22  VAL  20          2HG2      VAL  20  -5.896   4.700   3.374
  144   HG23  VAL  20          3HG2      VAL  20  -4.260   4.062   3.218
  145    HA   PRO  21           HA       PRO  21  -5.856  -2.449   1.127
  146    HB2  PRO  21          2HB       PRO  21  -8.323  -2.297   2.809
  147    HB3  PRO  21          1HB       PRO  21  -7.281  -3.687   2.481
  148    HG2  PRO  21          2HG       PRO  21  -7.137  -2.442   4.812
  149    HG3  PRO  21          1HG       PRO  21  -5.664  -2.998   3.997
  150    HD2  PRO  21          2HD       PRO  21  -6.760  -0.234   4.246
  151    HD3  PRO  21          1HD       PRO  21  -5.073  -0.793   4.232
  152    H    MET  22           HN       MET  22  -6.858  -2.552  -0.807
  153    HA   MET  22           HA       MET  22  -9.069  -0.804  -1.150
  154    HB2  MET  22          2HB       MET  22  -6.832   0.042  -2.093
  155    HB3  MET  22          1HB       MET  22  -7.036  -1.238  -3.284
  156    HG2  MET  22          2HG       MET  22  -7.798   0.931  -4.114
  157    HG3  MET  22          1HG       MET  22  -9.084  -0.277  -4.063
  158    HE1  MET  22          1HE       MET  22  -7.579   1.682  -0.954
  159    HE2  MET  22          2HE       MET  22  -8.612   3.114  -0.948
  160    HE3  MET  22          3HE       MET  22  -7.497   2.836  -2.284
  161    H    ILE  23           HN       ILE  23 -10.448  -1.467  -2.949
  162    HA   ILE  23           HA       ILE  23 -10.206  -4.293  -3.523
  163    HB   ILE  23           HB       ILE  23 -11.935  -4.078  -1.972
  164   HG12  ILE  23          2HG1      ILE  23 -13.225  -4.303  -4.697
  165   HG13  ILE  23          1HG1      ILE  23 -12.450  -5.608  -3.811
  166   HG21  ILE  23          1HG2      ILE  23 -13.198  -1.873  -3.571
  167   HG22  ILE  23          2HG2      ILE  23 -12.361  -1.728  -2.030
  168   HG23  ILE  23          3HG2      ILE  23 -13.877  -2.622  -2.127
  169   HD11  ILE  23          1HD1      ILE  23 -14.873  -5.743  -3.690
  170   HD12  ILE  23          2HD1      ILE  23 -14.934  -4.136  -2.962
  171   HD13  ILE  23          3HD1      ILE  23 -14.171  -5.469  -2.096
  172    HN1  NH2  24           HN1      NH2  24 -12.063  -1.527  -4.815
  173    HN2  NH2  24           HN2      NH2  24 -11.734  -1.894  -6.465
  Start of MODEL   10
    1    H1   ALA   1          1HT       ALA   1   5.087   7.676  -1.703
    2    H2   ALA   1          2HT       ALA   1   4.019   6.746  -2.614
    3    H3   ALA   1          3HT       ALA   1   5.052   7.818  -3.396
    4    HA   ALA   1           HA       ALA   1   5.791   5.532  -3.604
    5    HB1  ALA   1          1HB       ALA   1   7.484   7.305  -3.533
    6    HB2  ALA   1          2HB       ALA   1   8.071   5.815  -2.791
    7    HB3  ALA   1          3HB       ALA   1   7.552   7.161  -1.777
    8    H    CYS   2           HN       CYS   2   6.314   3.588  -2.659
    9    HA   CYS   2           HA       CYS   2   5.319   3.284   0.065
   10    HB2  CYS   2          2HB       CYS   2   5.875   1.193  -2.042
   11    HB3  CYS   2          1HB       CYS   2   5.112   0.909  -0.481
   12    H    LYS   3           HN       LYS   3   6.621   2.540   1.655
   13    HA   LYS   3           HA       LYS   3   9.466   2.722   1.261
   14    HB2  LYS   3          2HB       LYS   3   8.320   3.592   3.273
   15    HB3  LYS   3          1HB       LYS   3   7.821   1.963   3.679
   16    HG2  LYS   3          2HG       LYS   3  10.250   1.365   3.870
   17    HG3  LYS   3          1HG       LYS   3  10.602   3.081   3.675
   18    HD2  LYS   3          2HD       LYS   3   9.234   3.603   5.626
   19    HD3  LYS   3          1HD       LYS   3   8.858   1.894   5.821
   20    HE2  LYS   3          2HE       LYS   3  11.277   1.444   6.122
   21    HE3  LYS   3          1HE       LYS   3  11.571   3.180   6.059
   22    HZ1  LYS   3          1HZ       LYS   3  10.129   3.434   8.013
   23    HZ2  LYS   3          2HZ       LYS   3  11.442   2.410   8.323
   24    HZ3  LYS   3          3HZ       LYS   3   9.917   1.755   8.058
   25    H    GLU   4           HN       GLU   4   7.251   0.208   2.523
   26    HA   GLU   4           HA       GLU   4   8.952  -1.834   1.386
   27    HB2  GLU   4          2HB       GLU   4   7.813  -1.731   4.134
   28    HB3  GLU   4          1HB       GLU   4   8.478  -3.170   3.395
   29    HG2  GLU   4          2HG       GLU   4  10.677  -2.087   3.229
   30    HG3  GLU   4          1HG       GLU   4  10.013  -0.635   3.967
   31    H    TYR   5           HN       TYR   5   7.708  -2.566  -0.012
   32    HA   TYR   5           HA       TYR   5   4.879  -2.490  -0.137
   33    HB2  TYR   5          2HB       TYR   5   6.476  -2.663  -2.054
   34    HB3  TYR   5          1HB       TYR   5   6.772  -4.326  -1.597
   35    HD1  TYR   5          1HD       TYR   5   3.970  -2.046  -2.549
   36    HD2  TYR   5          2HD       TYR   5   5.590  -5.976  -2.704
   37    HE1  TYR   5          1HE       TYR   5   2.222  -2.695  -4.120
   38    HE2  TYR   5          2HE       TYR   5   3.838  -6.644  -4.271
   39    HH   TYR   5           HH       TYR   5   1.848  -4.353  -5.832
   40    H    TRP   6           HN       TRP   6   7.137  -4.998   0.561
   41    HA   TRP   6           HA       TRP   6   5.366  -7.111   1.074
   42    HB2  TRP   6          2HB       TRP   6   7.311  -8.102   2.398
   43    HB3  TRP   6          1HB       TRP   6   7.607  -7.700   0.710
   44    HD1  TRP   6          1HD       TRP   6   8.354  -6.309   4.239
   45    HE1  TRP   6          1HE       TRP   6  10.478  -4.853   4.091
   46    HE3  TRP   6          3HE       TRP   6   9.124  -6.533  -0.803
   47    HZ2  TRP   6          2HZ       TRP   6  12.261  -3.961   2.093
   48    HZ3  TRP   6          3HZ       TRP   6  11.064  -5.358  -1.750
   49    HH2  TRP   6          2HH       TRP   6  12.595  -4.104  -0.331
   50    H    GLU   7           HN       GLU   7   6.354  -4.500   3.157
   51    HA   GLU   7           HA       GLU   7   5.525  -5.708   5.601
   52    HB2  GLU   7          2HB       GLU   7   7.064  -3.771   5.578
   53    HB3  GLU   7          1HB       GLU   7   5.770  -2.768   4.939
   54    HG2  GLU   7          2HG       GLU   7   4.470  -3.148   6.981
   55    HG3  GLU   7          1HG       GLU   7   5.786  -4.124   7.625
   56    H    CYS   8           HN       CYS   8   4.042  -3.590   3.358
   57    HA   CYS   8           HA       CYS   8   1.566  -3.424   4.763
   58    HB2  CYS   8          2HB       CYS   8   2.323  -2.666   1.955
   59    HB3  CYS   8          1HB       CYS   8   0.821  -2.242   2.764
   60    H    GLY   9           HN       GLY   9   2.808  -5.175   2.006
   61    HA2  GLY   9          2HA       GLY   9   1.923  -7.495   1.889
   62    HA3  GLY   9          1HA       GLY   9   0.333  -6.731   1.939
   63    H    ALA  10           HN       ALA  10   1.005  -8.316  -0.184
   64    HA   ALA  10           HA       ALA  10   1.997  -6.647  -2.287
   65    HB1  ALA  10          1HB       ALA  10   1.554  -8.573  -3.728
   66    HB2  ALA  10          2HB       ALA  10   0.733  -9.383  -2.393
   67    HB3  ALA  10          3HB       ALA  10   2.459  -9.047  -2.291
   68    H    PHE  11           HN       PHE  11   0.844  -5.739  -3.920
   69    HA   PHE  11           HA       PHE  11  -0.785  -4.765  -5.016
   70    HB2  PHE  11          2HB       PHE  11  -2.542  -6.975  -3.914
   71    HB3  PHE  11          1HB       PHE  11  -3.012  -5.867  -5.204
   72    HD1  PHE  11          1HD       PHE  11  -1.104  -8.814  -4.331
   73    HD2  PHE  11          2HD       PHE  11  -1.818  -5.925  -7.371
   74    HE1  PHE  11          1HE       PHE  11   0.013 -10.264  -5.960
   75    HE2  PHE  11          2HE       PHE  11  -0.708  -7.379  -9.012
   76    HZ   PHE  11           HZ       PHE  11   0.215  -9.550  -8.302
   77    H    LEU  12           HN       LEU  12  -0.160  -4.116  -2.269
   78    HA   LEU  12           HA       LEU  12  -2.551  -2.698  -1.435
   79    HB2  LEU  12          2HB       LEU  12   0.173  -3.130  -0.274
   80    HB3  LEU  12          1HB       LEU  12  -0.694  -1.682   0.177
   81    HG   LEU  12           HG       LEU  12  -0.905  -3.469   1.856
   82   HD11  LEU  12          1HD1      LEU  12  -3.481  -2.816   0.472
   83   HD12  LEU  12          2HD1      LEU  12  -2.649  -1.824   1.670
   84   HD13  LEU  12          3HD1      LEU  12  -3.311  -3.393   2.129
   85   HD21  LEU  12          1HD2      LEU  12  -0.825  -5.423   0.390
   86   HD22  LEU  12          2HD2      LEU  12  -2.385  -4.976  -0.295
   87   HD23  LEU  12          3HD2      LEU  12  -2.271  -5.447   1.400
   88    H    PHE  13           HN       PHE  13  -2.647  -0.422  -1.426
   89    HA   PHE  13           HA       PHE  13  -0.743   0.862  -3.232
   90    HB2  PHE  13          2HB       PHE  13  -3.686   1.422  -2.781
   91    HB3  PHE  13          1HB       PHE  13  -2.621   2.474  -3.705
   92    HD1  PHE  13          1HD       PHE  13  -1.789   1.808  -5.855
   93    HD2  PHE  13          2HD       PHE  13  -4.407  -0.727  -3.678
   94    HE1  PHE  13          1HE       PHE  13  -2.190   0.479  -7.881
   95    HE2  PHE  13          2HE       PHE  13  -4.811  -2.050  -5.706
   96    HZ   PHE  13           HZ       PHE  13  -3.707  -1.452  -7.801
   97    H    CYS  14           HN       CYS  14   0.038   2.880  -2.586
   98    HA   CYS  14           HA       CYS  14  -0.327   3.298   0.273
   99    HB2  CYS  14          2HB       CYS  14   1.954   4.193  -1.464
  100    HB3  CYS  14          1HB       CYS  14   1.843   4.273   0.287
  101    H    ILE  15           HN       ILE  15  -1.034   5.126   0.979
  102    HA   ILE  15           HA       ILE  15  -0.984   7.486  -0.620
  103    HB   ILE  15           HB       ILE  15  -3.121   6.602  -1.250
  104   HG12  ILE  15          2HG1      ILE  15  -3.545   8.762   0.830
  105   HG13  ILE  15          1HG1      ILE  15  -3.049   9.020  -0.838
  106   HG21  ILE  15          1HG2      ILE  15  -3.516   4.984   0.482
  107   HG22  ILE  15          2HG2      ILE  15  -4.914   6.057   0.366
  108   HG23  ILE  15          3HG2      ILE  15  -3.750   6.262   1.674
  109   HD11  ILE  15          1HD1      ILE  15  -5.408   9.516  -0.549
  110   HD12  ILE  15          2HD1      ILE  15  -5.687   7.895   0.081
  111   HD13  ILE  15          3HD1      ILE  15  -5.199   8.115  -1.598
  112    H    GLU  16           HN       GLU  16  -0.088   8.852   0.590
  113    HA   GLU  16           HA       GLU  16   0.645  10.117   2.290
  114    HB2  GLU  16          2HB       GLU  16  -1.905   9.143   3.428
  115    HB3  GLU  16          1HB       GLU  16  -0.856  10.293   4.283
  116    HG2  GLU  16          2HG       GLU  16  -1.117  11.837   2.357
  117    HG3  GLU  16          1HG       GLU  16  -2.230  10.682   1.622
  118    H    GLY  17           HN       GLY  17   1.278   7.245   2.141
  119    HA2  GLY  17          2HA       GLY  17   2.996   6.140   3.345
  120    HA3  GLY  17          1HA       GLY  17   2.542   7.060   4.775
  121    H    ILE  18           HN       ILE  18  -0.260   6.105   3.548
  122    HA   ILE  18           HA       ILE  18  -0.407   3.820   5.372
  123    HB   ILE  18           HB       ILE  18  -2.653   5.387   4.065
  124   HG12  ILE  18          2HG1      ILE  18  -1.603   5.609   6.898
  125   HG13  ILE  18          1HG1      ILE  18  -1.326   6.789   5.623
  126   HG21  ILE  18          1HG2      ILE  18  -2.684   3.387   6.331
  127   HG22  ILE  18          2HG2      ILE  18  -3.285   3.116   4.696
  128   HG23  ILE  18          3HG2      ILE  18  -4.082   4.290   5.744
  129   HD11  ILE  18          1HD1      ILE  18  -4.001   6.036   6.780
  130   HD12  ILE  18          2HD1      ILE  18  -3.725   7.215   5.498
  131   HD13  ILE  18          3HD1      ILE  18  -3.097   7.513   7.118
  132    H    CYS  19           HN       CYS  19  -0.423   1.869   4.437
  133    HA   CYS  19           HA       CYS  19  -0.959   1.671   1.608
  134    HB2  CYS  19          2HB       CYS  19  -0.229  -0.520   3.571
  135    HB3  CYS  19          1HB       CYS  19  -0.244  -0.611   1.826
  136    H    VAL  20           HN       VAL  20  -3.002   1.592   1.048
  137    HA   VAL  20           HA       VAL  20  -4.736  -0.327   2.270
  138    HB   VAL  20           HB       VAL  20  -5.156   1.676   3.651
  139   HG11  VAL  20          1HG1      VAL  20  -6.127   3.719   2.737
  140   HG12  VAL  20          2HG1      VAL  20  -5.860   3.094   1.108
  141   HG13  VAL  20          3HG1      VAL  20  -4.486   3.421   2.161
  142   HG21  VAL  20          1HG2      VAL  20  -7.449   1.080   1.783
  143   HG22  VAL  20          2HG2      VAL  20  -7.597   1.901   3.335
  144   HG23  VAL  20          3HG2      VAL  20  -7.055   0.225   3.274
  145    HA   PRO  21           HA       PRO  21  -5.575  -0.439  -2.074
  146    HB2  PRO  21          2HB       PRO  21  -7.173  -2.597  -2.119
  147    HB3  PRO  21          1HB       PRO  21  -5.444  -2.739  -1.782
  148    HG2  PRO  21          2HG       PRO  21  -7.759  -2.853   0.071
  149    HG3  PRO  21          1HG       PRO  21  -6.225  -3.736   0.140
  150    HD2  PRO  21          2HD       PRO  21  -6.885  -1.446   1.613
  151    HD3  PRO  21          1HD       PRO  21  -5.255  -2.106   1.385
  152    H    MET  22           HN       MET  22  -7.531  -0.485  -3.526
  153    HA   MET  22           HA       MET  22  -9.445   1.245  -2.361
  154    HB2  MET  22          2HB       MET  22  -8.289   1.829  -4.519
  155    HB3  MET  22          1HB       MET  22  -9.139   0.450  -5.226
  156    HG2  MET  22          2HG       MET  22 -11.261   1.502  -4.892
  157    HG3  MET  22          1HG       MET  22 -10.505   2.840  -4.031
  158    HE1  MET  22          1HE       MET  22  -9.216   1.017  -7.298
  159    HE2  MET  22          2HE       MET  22  -9.937   2.030  -8.550
  160    HE3  MET  22          3HE       MET  22 -10.968   1.057  -7.500
  161    H    ILE  23           HN       ILE  23 -11.704   0.807  -2.775
  162    HA   ILE  23           HA       ILE  23 -12.206  -2.063  -2.650
  163    HB   ILE  23           HB       ILE  23 -13.995   0.239  -1.750
  164   HG12  ILE  23          2HG1      ILE  23 -13.724  -0.864   0.542
  165   HG13  ILE  23          1HG1      ILE  23 -12.443  -1.828  -0.167
  166   HG21  ILE  23          1HG2      ILE  23 -15.364  -1.568  -2.593
  167   HG22  ILE  23          2HG2      ILE  23 -15.519  -1.432  -0.840
  168   HG23  ILE  23          3HG2      ILE  23 -14.532  -2.712  -1.541
  169   HD11  ILE  23          1HD1      ILE  23 -11.535   0.024   1.089
  170   HD12  ILE  23          2HD1      ILE  23 -12.475   1.169   0.136
  171   HD13  ILE  23          3HD1      ILE  23 -11.185   0.238  -0.625
  172    HN1  NH2  24           HN1      NH2  24 -14.344   0.540  -3.714
  173    HN2  NH2  24           HN2      NH2  24 -14.650  -0.126  -5.276
  Start of MODEL   11
    1    H1   ALA   1          1HT       ALA   1   4.818   5.815  -3.238
    2    H2   ALA   1          2HT       ALA   1   3.903   5.583  -4.626
    3    H3   ALA   1          3HT       ALA   1   4.653   4.274  -3.875
    4    HA   ALA   1           HA       ALA   1   2.529   5.950  -2.701
    5    HB1  ALA   1          1HB       ALA   1   2.368   3.110  -3.737
    6    HB2  ALA   1          2HB       ALA   1   1.700   4.533  -4.536
    7    HB3  ALA   1          3HB       ALA   1   1.063   4.018  -2.977
    8    H    CYS   2           HN       CYS   2   4.006   2.702  -2.380
    9    HA   CYS   2           HA       CYS   2   3.710   2.766   0.507
   10    HB2  CYS   2          2HB       CYS   2   5.043   0.687  -1.247
   11    HB3  CYS   2          1HB       CYS   2   4.394   0.465   0.371
   12    H    LYS   3           HN       LYS   3   5.682   2.484   1.926
   13    HA   LYS   3           HA       LYS   3   7.949   3.844   0.778
   14    HB2  LYS   3          2HB       LYS   3   7.629   2.536   3.494
   15    HB3  LYS   3          1HB       LYS   3   8.949   3.595   3.042
   16    HG2  LYS   3          2HG       LYS   3   7.241   5.409   2.697
   17    HG3  LYS   3          1HG       LYS   3   6.052   4.318   3.404
   18    HD2  LYS   3          2HD       LYS   3   8.550   5.372   4.742
   19    HD3  LYS   3          1HD       LYS   3   6.898   5.872   5.079
   20    HE2  LYS   3          2HE       LYS   3   8.068   3.125   5.557
   21    HE3  LYS   3          1HE       LYS   3   7.745   4.338   6.783
   22    HZ1  LYS   3          1HZ       LYS   3   5.765   2.864   5.136
   23    HZ2  LYS   3          2HZ       LYS   3   5.350   4.163   6.148
   24    HZ3  LYS   3          3HZ       LYS   3   6.008   2.759   6.797
   25    H    GLU   4           HN       GLU   4   7.374   0.721   2.343
   26    HA   GLU   4           HA       GLU   4   9.147  -0.503   0.381
   27    HB2  GLU   4          2HB       GLU   4   8.430  -1.352   3.198
   28    HB3  GLU   4          1HB       GLU   4   9.319  -2.360   2.068
   29    HG2  GLU   4          2HG       GLU   4  10.200   0.306   3.154
   30    HG3  GLU   4          1HG       GLU   4  10.775  -1.267   3.703
   31    H    TYR   5           HN       TYR   5   8.314  -2.610  -0.390
   32    HA   TYR   5           HA       TYR   5   5.533  -2.405  -1.013
   33    HB2  TYR   5          2HB       TYR   5   7.225  -3.372  -2.572
   34    HB3  TYR   5          1HB       TYR   5   7.363  -4.763  -1.510
   35    HD1  TYR   5          1HD       TYR   5   5.827  -6.584  -1.686
   36    HD2  TYR   5          2HD       TYR   5   4.992  -2.914  -3.678
   37    HE1  TYR   5          1HE       TYR   5   3.965  -7.644  -2.845
   38    HE2  TYR   5          2HE       TYR   5   3.131  -3.965  -4.848
   39    HH   TYR   5           HH       TYR   5   2.374  -6.170  -5.493
   40    H    TRP   6           HN       TRP   6   7.277  -4.885   0.653
   41    HA   TRP   6           HA       TRP   6   5.105  -6.425   1.594
   42    HB2  TRP   6          2HB       TRP   6   6.803  -7.339   3.252
   43    HB3  TRP   6          1HB       TRP   6   7.212  -7.456   1.541
   44    HD1  TRP   6          1HD       TRP   6   8.112  -5.304   4.640
   45    HE1  TRP   6          1HE       TRP   6  10.479  -4.325   4.242
   46    HE3  TRP   6          3HE       TRP   6   8.912  -6.986  -0.112
   47    HZ2  TRP   6          2HZ       TRP   6  12.392  -4.297   2.202
   48    HZ3  TRP   6          3HZ       TRP   6  11.034  -6.441  -1.210
   49    HH2  TRP   6          2HH       TRP   6  12.738  -5.122  -0.073
   50    H    GLU   7           HN       GLU   7   6.252  -3.493   2.653
   51    HA   GLU   7           HA       GLU   7   5.720  -3.336   5.377
   52    HB2  GLU   7          2HB       GLU   7   6.876  -1.678   4.182
   53    HB3  GLU   7          1HB       GLU   7   5.512  -1.369   3.123
   54    HG2  GLU   7          2HG       GLU   7   4.332  -0.396   5.019
   55    HG3  GLU   7          1HG       GLU   7   5.737  -0.731   6.043
   56    H    CYS   8           HN       CYS   8   3.679  -2.894   2.657
   57    HA   CYS   8           HA       CYS   8   1.364  -2.933   4.395
   58    HB2  CYS   8          2HB       CYS   8   1.816  -1.908   1.628
   59    HB3  CYS   8          1HB       CYS   8   0.209  -2.115   2.319
   60    H    GLY   9           HN       GLY   9   2.970  -4.536   1.773
   61    HA2  GLY   9          2HA       GLY   9   2.714  -6.935   1.756
   62    HA3  GLY   9          1HA       GLY   9   0.993  -6.676   2.044
   63    H    ALA  10           HN       ALA  10   0.856  -8.017   0.133
   64    HA   ALA  10           HA       ALA  10   1.586  -6.783  -2.362
   65    HB1  ALA  10          1HB       ALA  10   0.122  -9.343  -1.778
   66    HB2  ALA  10          2HB       ALA  10   1.853  -9.186  -2.089
   67    HB3  ALA  10          3HB       ALA  10   0.685  -8.820  -3.362
   68    H    PHE  11           HN       PHE  11   0.336  -5.664  -3.585
   69    HA   PHE  11           HA       PHE  11  -1.383  -4.742  -4.647
   70    HB2  PHE  11          2HB       PHE  11  -3.029  -6.955  -3.429
   71    HB3  PHE  11          1HB       PHE  11  -3.631  -5.816  -4.626
   72    HD1  PHE  11          1HD       PHE  11  -2.026  -8.919  -4.091
   73    HD2  PHE  11          2HD       PHE  11  -2.353  -5.712  -6.863
   74    HE1  PHE  11          1HE       PHE  11  -1.181 -10.388  -5.887
   75    HE2  PHE  11          2HE       PHE  11  -1.517  -7.170  -8.657
   76    HZ   PHE  11           HZ       PHE  11  -0.929  -9.512  -8.163
   77    H    LEU  12           HN       LEU  12  -0.819  -4.089  -1.711
   78    HA   LEU  12           HA       LEU  12  -3.328  -2.732  -1.099
   79    HB2  LEU  12          2HB       LEU  12  -0.729  -2.928   0.396
   80    HB3  LEU  12          1HB       LEU  12  -1.820  -1.610   0.742
   81    HG   LEU  12           HG       LEU  12  -2.153  -3.260   2.404
   82   HD11  LEU  12          1HD1      LEU  12  -4.423  -3.464   0.447
   83   HD12  LEU  12          2HD1      LEU  12  -4.160  -2.182   1.625
   84   HD13  LEU  12          3HD1      LEU  12  -4.485  -3.822   2.171
   85   HD21  LEU  12          1HD2      LEU  12  -2.771  -5.586   1.899
   86   HD22  LEU  12          2HD2      LEU  12  -1.175  -5.185   1.270
   87   HD23  LEU  12          3HD2      LEU  12  -2.559  -5.261   0.178
   88    H    PHE  13           HN       PHE  13  -3.650  -0.568  -1.215
   89    HA   PHE  13           HA       PHE  13  -1.728   0.822  -2.892
   90    HB2  PHE  13          2HB       PHE  13  -4.138   0.811  -3.588
   91    HB3  PHE  13          1HB       PHE  13  -4.546   1.615  -2.078
   92    HD1  PHE  13          1HD       PHE  13  -2.196   2.050  -4.943
   93    HD2  PHE  13          2HD       PHE  13  -4.853   3.893  -2.180
   94    HE1  PHE  13          1HE       PHE  13  -1.821   4.209  -6.035
   95    HE2  PHE  13          2HE       PHE  13  -4.481   6.067  -3.273
   96    HZ   PHE  13           HZ       PHE  13  -2.966   6.229  -5.203
   97    H    CYS  14           HN       CYS  14  -0.327   2.000  -1.838
   98    HA   CYS  14           HA       CYS  14  -0.949   2.611   0.941
   99    HB2  CYS  14          2HB       CYS  14   1.689   2.901  -0.419
  100    HB3  CYS  14          1HB       CYS  14   1.359   2.741   1.300
  101    H    ILE  15           HN       ILE  15  -1.319   4.585   1.507
  102    HA   ILE  15           HA       ILE  15  -0.728   6.718  -0.390
  103    HB   ILE  15           HB       ILE  15  -2.860   6.743   1.753
  104   HG12  ILE  15          2HG1      ILE  15  -3.225   6.305  -1.222
  105   HG13  ILE  15          1HG1      ILE  15  -3.399   5.063   0.011
  106   HG21  ILE  15          1HG2      ILE  15  -3.680   8.725   0.477
  107   HG22  ILE  15          2HG2      ILE  15  -2.284   8.581  -0.590
  108   HG23  ILE  15          3HG2      ILE  15  -2.054   8.952   1.119
  109   HD11  ILE  15          1HD1      ILE  15  -5.296   6.281   0.961
  110   HD12  ILE  15          2HD1      ILE  15  -5.558   5.892  -0.740
  111   HD13  ILE  15          3HD1      ILE  15  -5.096   7.527  -0.266
  112    H    GLU  16           HN       GLU  16   1.016   7.462   0.292
  113    HA   GLU  16           HA       GLU  16   2.609   8.520   1.431
  114    HB2  GLU  16          2HB       GLU  16   0.382   8.942   3.324
  115    HB3  GLU  16          1HB       GLU  16   1.947   9.795   3.419
  116    HG2  GLU  16          2HG       GLU  16   1.462  10.692   1.142
  117    HG3  GLU  16          1HG       GLU  16  -0.129   9.949   1.230
  118    H    GLY  17           HN       GLY  17   2.024   5.715   1.885
  119    HA2  GLY  17          2HA       GLY  17   3.577   4.222   2.959
  120    HA3  GLY  17          1HA       GLY  17   3.730   5.391   4.263
  121    H    ILE  18           HN       ILE  18   0.608   5.454   3.816
  122    HA   ILE  18           HA       ILE  18   0.085   3.477   5.876
  123    HB   ILE  18           HB       ILE  18  -1.635   5.663   4.668
  124   HG12  ILE  18          2HG1      ILE  18  -0.301   5.468   7.379
  125   HG13  ILE  18          1HG1      ILE  18   0.278   6.437   6.032
  126   HG21  ILE  18          1HG2      ILE  18  -3.203   5.221   6.511
  127   HG22  ILE  18          2HG2      ILE  18  -2.227   3.831   6.992
  128   HG23  ILE  18          3HG2      ILE  18  -3.046   3.835   5.430
  129   HD11  ILE  18          1HD1      ILE  18  -0.889   7.770   7.707
  130   HD12  ILE  18          2HD1      ILE  18  -2.352   6.808   7.442
  131   HD13  ILE  18          3HD1      ILE  18  -1.707   7.813   6.150
  132    H    CYS  19           HN       CYS  19  -1.131   1.646   5.524
  133    HA   CYS  19           HA       CYS  19  -1.421   0.874   2.754
  134    HB2  CYS  19          2HB       CYS  19  -2.162  -0.925   5.060
  135    HB3  CYS  19          1HB       CYS  19  -1.474  -1.280   3.508
  136    H    VAL  20           HN       VAL  20  -3.250   1.295   1.725
  137    HA   VAL  20           HA       VAL  20  -5.780   1.197   3.195
  138    HB   VAL  20           HB       VAL  20  -5.003   2.993   0.849
  139   HG11  VAL  20          1HG1      VAL  20  -7.519   3.034   2.505
  140   HG12  VAL  20          2HG1      VAL  20  -7.383   2.434   0.855
  141   HG13  VAL  20          3HG1      VAL  20  -7.113   4.145   1.196
  142   HG21  VAL  20          1HG2      VAL  20  -3.866   3.718   2.863
  143   HG22  VAL  20          2HG2      VAL  20  -5.387   3.711   3.752
  144   HG23  VAL  20          3HG2      VAL  20  -5.139   4.867   2.448
  145    HA   PRO  21           HA       PRO  21  -6.863  -1.994   0.166
  146    HB2  PRO  21          2HB       PRO  21  -9.534  -1.241  -0.202
  147    HB3  PRO  21          1HB       PRO  21  -8.952  -2.360   1.032
  148    HG2  PRO  21          2HG       PRO  21  -9.570   0.555   1.255
  149    HG3  PRO  21          1HG       PRO  21  -9.879  -0.748   2.417
  150    HD2  PRO  21          2HD       PRO  21  -7.861   0.945   2.782
  151    HD3  PRO  21          1HD       PRO  21  -7.662  -0.781   3.148
  152    H    MET  22           HN       MET  22  -6.656  -2.025  -2.005
  153    HA   MET  22           HA       MET  22  -6.474   0.432  -3.335
  154    HB2  MET  22          2HB       MET  22  -4.852  -1.295  -3.771
  155    HB3  MET  22          1HB       MET  22  -6.145  -2.356  -4.362
  156    HG2  MET  22          2HG       MET  22  -6.493  -0.931  -6.264
  157    HG3  MET  22          1HG       MET  22  -5.325   0.232  -5.647
  158    HE1  MET  22          1HE       MET  22  -1.934  -1.628  -6.015
  159    HE2  MET  22          2HE       MET  22  -2.950  -1.615  -4.584
  160    HE3  MET  22          3HE       MET  22  -2.757  -0.144  -5.539
  161    H    ILE  23           HN       ILE  23  -7.629   1.014  -5.102
  162    HA   ILE  23           HA       ILE  23 -10.318  -0.180  -5.285
  163    HB   ILE  23           HB       ILE  23  -9.579   2.734  -5.745
  164   HG12  ILE  23          2HG1      ILE  23  -9.382   2.159  -3.372
  165   HG13  ILE  23          1HG1      ILE  23 -10.759   3.218  -3.640
  166   HG21  ILE  23          1HG2      ILE  23 -12.290   1.410  -5.625
  167   HG22  ILE  23          2HG2      ILE  23 -11.505   2.038  -7.074
  168   HG23  ILE  23          3HG2      ILE  23 -12.002   3.142  -5.791
  169   HD11  ILE  23          1HD1      ILE  23 -10.859   0.234  -3.193
  170   HD12  ILE  23          2HD1      ILE  23 -12.254   1.273  -3.483
  171   HD13  ILE  23          3HD1      ILE  23 -11.286   1.485  -2.025
  172    HN1  NH2  24           HN1      NH2  24  -9.755  -1.514  -6.946
  173    HN2  NH2  24           HN2      NH2  24  -9.351  -0.955  -8.533
  Start of MODEL   12
    1    H1   ALA   1          1HT       ALA   1   4.314   7.310  -2.585
    2    H2   ALA   1          2HT       ALA   1   3.769   6.026  -3.516
    3    H3   ALA   1          3HT       ALA   1   4.693   7.247  -4.236
    4    HA   ALA   1           HA       ALA   1   5.973   5.254  -3.875
    5    HB1  ALA   1          1HB       ALA   1   7.811   6.235  -2.593
    6    HB2  ALA   1          2HB       ALA   1   6.730   7.503  -2.012
    7    HB3  ALA   1          3HB       ALA   1   7.127   7.396  -3.727
    8    H    CYS   2           HN       CYS   2   5.542   3.382  -2.882
    9    HA   CYS   2           HA       CYS   2   4.839   3.365  -0.056
   10    HB2  CYS   2          2HB       CYS   2   4.984   1.127  -2.102
   11    HB3  CYS   2          1HB       CYS   2   4.376   0.971  -0.457
   12    H    LYS   3           HN       LYS   3   6.198   2.298   1.475
   13    HA   LYS   3           HA       LYS   3   8.934   2.499   0.685
   14    HB2  LYS   3          2HB       LYS   3   8.288   3.375   2.859
   15    HB3  LYS   3          1HB       LYS   3   7.727   1.793   3.358
   16    HG2  LYS   3          2HG       LYS   3   9.922   2.465   4.329
   17    HG3  LYS   3          1HG       LYS   3   9.959   0.938   3.462
   18    HD2  LYS   3          2HD       LYS   3  11.939   2.274   2.947
   19    HD3  LYS   3          1HD       LYS   3  10.940   2.080   1.513
   20    HE2  LYS   3          2HE       LYS   3   9.998   4.318   1.897
   21    HE3  LYS   3          1HE       LYS   3  11.060   4.520   3.293
   22    HZ1  LYS   3          1HZ       LYS   3  12.958   4.276   1.753
   23    HZ2  LYS   3          2HZ       LYS   3  11.955   5.594   1.368
   24    HZ3  LYS   3          3HZ       LYS   3  11.866   4.203   0.457
   25    H    GLU   4           HN       GLU   4   7.019  -0.276   2.048
   26    HA   GLU   4           HA       GLU   4   8.782  -1.928   0.521
   27    HB2  GLU   4          2HB       GLU   4   8.325  -2.132   3.466
   28    HB3  GLU   4          1HB       GLU   4   8.822  -3.509   2.495
   29    HG2  GLU   4          2HG       GLU   4  10.799  -2.193   1.747
   30    HG3  GLU   4          1HG       GLU   4  10.305  -0.903   2.826
   31    H    TYR   5           HN       TYR   5   7.965  -3.716  -0.221
   32    HA   TYR   5           HA       TYR   5   5.306  -3.902  -0.947
   33    HB2  TYR   5          2HB       TYR   5   7.292  -4.972  -2.037
   34    HB3  TYR   5          1HB       TYR   5   7.295  -6.161  -0.751
   35    HD1  TYR   5          1HD       TYR   5   5.502  -7.910  -0.677
   36    HD2  TYR   5          2HD       TYR   5   5.724  -5.054  -3.821
   37    HE1  TYR   5          1HE       TYR   5   4.042  -9.313  -2.046
   38    HE2  TYR   5          2HE       TYR   5   4.268  -6.440  -5.196
   39    HH   TYR   5           HH       TYR   5   3.671  -8.775  -5.375
   40    H    TRP   6           HN       TRP   6   7.019  -5.777   1.413
   41    HA   TRP   6           HA       TRP   6   4.849  -7.387   2.233
   42    HB2  TRP   6          2HB       TRP   6   6.236  -8.070   4.151
   43    HB3  TRP   6          1HB       TRP   6   7.123  -8.125   2.633
   44    HD1  TRP   6          1HD       TRP   6   9.150  -6.420   2.343
   45    HE1  TRP   6          1HE       TRP   6  10.488  -4.995   4.039
   46    HE3  TRP   6          3HE       TRP   6   6.010  -6.729   6.368
   47    HZ2  TRP   6          2HZ       TRP   6  10.258  -4.150   6.696
   48    HZ3  TRP   6          3HZ       TRP   6   6.646  -5.583   8.448
   49    HH2  TRP   6          2HH       TRP   6   8.730  -4.325   8.607
   50    H    GLU   7           HN       GLU   7   5.711  -4.194   3.146
   51    HA   GLU   7           HA       GLU   7   4.394  -4.188   5.680
   52    HB2  GLU   7          2HB       GLU   7   6.201  -2.597   5.160
   53    HB3  GLU   7          1HB       GLU   7   5.229  -1.896   3.881
   54    HG2  GLU   7          2HG       GLU   7   5.252  -0.484   5.854
   55    HG3  GLU   7          1HG       GLU   7   3.630  -1.085   5.522
   56    H    CYS   8           HN       CYS   8   3.457  -3.734   2.437
   57    HA   CYS   8           HA       CYS   8   0.789  -2.864   3.206
   58    HB2  CYS   8          2HB       CYS   8   2.064  -3.153   0.490
   59    HB3  CYS   8          1HB       CYS   8   0.523  -2.407   0.883
   60    H    GLY   9           HN       GLY   9   2.388  -5.643   3.074
   61    HA2  GLY   9          2HA       GLY   9   1.677  -7.846   2.927
   62    HA3  GLY   9          1HA       GLY   9   0.123  -7.275   2.315
   63    H    ALA  10           HN       ALA  10  -0.005  -6.612   0.198
   64    HA   ALA  10           HA       ALA  10   1.991  -7.732  -1.640
   65    HB1  ALA  10          1HB       ALA  10   0.114  -7.859  -3.269
   66    HB2  ALA  10          2HB       ALA  10  -0.988  -7.290  -2.014
   67    HB3  ALA  10          3HB       ALA  10  -0.189  -8.852  -1.842
   68    H    PHE  11           HN       PHE  11   1.791  -6.331  -3.823
   69    HA   PHE  11           HA       PHE  11   2.353  -3.660  -3.108
   70    HB2  PHE  11          2HB       PHE  11   3.212  -4.632  -5.226
   71    HB3  PHE  11          1HB       PHE  11   1.569  -4.690  -5.859
   72    HD1  PHE  11          1HD       PHE  11   4.296  -2.442  -4.793
   73    HD2  PHE  11          2HD       PHE  11   0.536  -2.742  -6.773
   74    HE1  PHE  11          1HE       PHE  11   4.546  -0.146  -5.610
   75    HE2  PHE  11          2HE       PHE  11   0.790  -0.432  -7.594
   76    HZ   PHE  11           HZ       PHE  11   2.791   0.862  -7.013
   77    H    LEU  12           HN       LEU  12   1.041  -2.127  -2.576
   78    HA   LEU  12           HA       LEU  12  -1.744  -2.224  -3.379
   79    HB2  LEU  12          2HB       LEU  12  -1.466  -3.403  -1.202
   80    HB3  LEU  12          1HB       LEU  12  -0.664  -1.986  -0.573
   81    HG   LEU  12           HG       LEU  12  -2.694  -0.745  -0.535
   82   HD11  LEU  12          1HD1      LEU  12  -4.827  -1.718  -1.292
   83   HD12  LEU  12          2HD1      LEU  12  -4.003  -3.196  -1.779
   84   HD13  LEU  12          3HD1      LEU  12  -3.691  -1.688  -2.638
   85   HD21  LEU  12          1HD2      LEU  12  -2.270  -2.225   1.337
   86   HD22  LEU  12          2HD2      LEU  12  -3.122  -3.534   0.517
   87   HD23  LEU  12          3HD2      LEU  12  -4.001  -2.094   1.026
   88    H    PHE  13           HN       PHE  13  -2.722  -0.056  -2.860
   89    HA   PHE  13           HA       PHE  13  -0.846   1.966  -3.677
   90    HB2  PHE  13          2HB       PHE  13  -3.817   2.114  -3.178
   91    HB3  PHE  13          1HB       PHE  13  -2.838   3.399  -3.872
   92    HD1  PHE  13          1HD       PHE  13  -1.627   2.911  -6.056
   93    HD2  PHE  13          2HD       PHE  13  -4.763   0.472  -4.536
   94    HE1  PHE  13          1HE       PHE  13  -2.007   2.006  -8.302
   95    HE2  PHE  13          2HE       PHE  13  -5.142  -0.440  -6.775
   96    HZ   PHE  13           HZ       PHE  13  -3.759   0.339  -8.670
   97    H    CYS  14           HN       CYS  14  -0.187   3.660  -2.485
   98    HA   CYS  14           HA       CYS  14  -0.906   3.551   0.349
   99    HB2  CYS  14          2HB       CYS  14   1.686   4.475  -0.884
  100    HB3  CYS  14          1HB       CYS  14   1.324   4.343   0.833
  101    H    ILE  15           HN       ILE  15  -1.396   5.375   1.375
  102    HA   ILE  15           HA       ILE  15  -1.217   7.909  -0.045
  103    HB   ILE  15           HB       ILE  15  -3.526   7.013   1.694
  104   HG12  ILE  15          2HG1      ILE  15  -3.498   7.506  -1.296
  105   HG13  ILE  15          1HG1      ILE  15  -3.618   5.928  -0.527
  106   HG21  ILE  15          1HG2      ILE  15  -3.082   9.379   1.920
  107   HG22  ILE  15          2HG2      ILE  15  -4.570   9.161   0.995
  108   HG23  ILE  15          3HG2      ILE  15  -3.069   9.576   0.168
  109   HD11  ILE  15          1HD1      ILE  15  -5.637   8.156  -0.374
  110   HD12  ILE  15          2HD1      ILE  15  -5.773   6.603   0.446
  111   HD13  ILE  15          3HD1      ILE  15  -5.782   6.671  -1.318
  112    H    GLU  16           HN       GLU  16   0.226   8.866   1.089
  113    HA   GLU  16           HA       GLU  16   1.376   9.887   2.734
  114    HB2  GLU  16          2HB       GLU  16  -1.146   9.292   4.170
  115    HB3  GLU  16          1HB       GLU  16   0.140  10.329   4.829
  116    HG2  GLU  16          2HG       GLU  16  -1.470  10.822   2.320
  117    HG3  GLU  16          1HG       GLU  16  -1.711  11.636   3.865
  118    H    GLY  17           HN       GLY  17   1.452   6.983   2.381
  119    HA2  GLY  17          2HA       GLY  17   3.143   5.599   3.345
  120    HA3  GLY  17          1HA       GLY  17   2.801   6.325   4.909
  121    H    ILE  18           HN       ILE  18  -0.153   5.970   3.980
  122    HA   ILE  18           HA       ILE  18  -0.447   3.402   5.301
  123    HB   ILE  18           HB       ILE  18  -2.521   5.418   4.383
  124   HG12  ILE  18          2HG1      ILE  18  -1.448   4.859   7.152
  125   HG13  ILE  18          1HG1      ILE  18  -1.019   6.256   6.168
  126   HG21  ILE  18          1HG2      ILE  18  -3.465   3.173   4.507
  127   HG22  ILE  18          2HG2      ILE  18  -4.087   4.171   5.824
  128   HG23  ILE  18          3HG2      ILE  18  -2.826   2.983   6.139
  129   HD11  ILE  18          1HD1      ILE  18  -3.744   5.595   7.260
  130   HD12  ILE  18          2HD1      ILE  18  -3.357   6.995   6.261
  131   HD13  ILE  18          3HD1      ILE  18  -2.646   6.833   7.868
  132    H    CYS  19           HN       CYS  19  -0.484   1.600   4.050
  133    HA   CYS  19           HA       CYS  19  -1.196   1.812   1.253
  134    HB2  CYS  19          2HB       CYS  19  -1.029  -0.861   2.579
  135    HB3  CYS  19          1HB       CYS  19  -0.435  -0.333   1.038
  136    H    VAL  20           HN       VAL  20  -3.259   2.011   0.794
  137    HA   VAL  20           HA       VAL  20  -5.207   1.018   2.712
  138    HB   VAL  20           HB       VAL  20  -5.311   3.419   2.342
  139   HG11  VAL  20          1HG1      VAL  20  -5.780   2.810  -0.561
  140   HG12  VAL  20          2HG1      VAL  20  -4.371   3.606   0.139
  141   HG13  VAL  20          3HG1      VAL  20  -5.949   4.398   0.185
  142   HG21  VAL  20          1HG2      VAL  20  -7.414   2.338   2.817
  143   HG22  VAL  20          2HG2      VAL  20  -7.661   1.995   1.106
  144   HG23  VAL  20          3HG2      VAL  20  -7.682   3.662   1.681
  145    HA   PRO  21           HA       PRO  21  -6.324  -2.348  -0.037
  146    HB2  PRO  21          2HB       PRO  21  -8.887  -1.949   1.438
  147    HB3  PRO  21          1HB       PRO  21  -7.987  -3.441   1.135
  148    HG2  PRO  21          2HG       PRO  21  -7.918  -2.306   3.526
  149    HG3  PRO  21          1HG       PRO  21  -6.450  -3.006   2.820
  150    HD2  PRO  21          2HD       PRO  21  -7.247  -0.148   3.084
  151    HD3  PRO  21          1HD       PRO  21  -5.640  -0.900   3.212
  152    H    MET  22           HN       MET  22  -7.224  -2.315  -2.028
  153    HA   MET  22           HA       MET  22  -8.409   0.017  -2.970
  154    HB2  MET  22          2HB       MET  22  -7.014  -1.525  -4.346
  155    HB3  MET  22          1HB       MET  22  -8.372  -2.661  -4.269
  156    HG2  MET  22          2HG       MET  22  -9.768  -1.137  -5.506
  157    HG3  MET  22          1HG       MET  22  -8.477   0.061  -5.535
  158    HE1  MET  22          1HE       MET  22  -9.647  -3.481  -6.791
  159    HE2  MET  22          2HE       MET  22  -8.110  -3.856  -6.004
  160    HE3  MET  22          3HE       MET  22  -8.259  -3.989  -7.754
  161    H    ILE  23           HN       ILE  23 -10.450   0.296  -3.681
  162    HA   ILE  23           HA       ILE  23 -12.453  -1.247  -2.189
  163    HB   ILE  23           HB       ILE  23 -12.778   1.486  -3.469
  164   HG12  ILE  23          2HG1      ILE  23 -11.143   1.616  -1.650
  165   HG13  ILE  23          1HG1      ILE  23 -12.634   2.426  -1.194
  166   HG21  ILE  23          1HG2      ILE  23 -14.547   0.021  -1.522
  167   HG22  ILE  23          2HG2      ILE  23 -14.879   0.312  -3.231
  168   HG23  ILE  23          3HG2      ILE  23 -14.790   1.668  -2.105
  169   HD11  ILE  23          1HD1      ILE  23 -11.715   1.169   0.664
  170   HD12  ILE  23          2HD1      ILE  23 -11.734  -0.309  -0.295
  171   HD13  ILE  23          3HD1      ILE  23 -13.253   0.469   0.155
  172    HN1  NH2  24           HN1      NH2  24 -12.986  -2.877  -3.498
  173    HN2  NH2  24           HN2      NH2  24 -13.538  -2.727  -5.128
  Start of MODEL   13
    1    H1   ALA   1          1HT       ALA   1   6.229   5.058  -4.758
    2    H2   ALA   1          2HT       ALA   1   5.883   3.775  -3.708
    3    H3   ALA   1          3HT       ALA   1   7.459   4.268  -3.933
    4    HA   ALA   1           HA       ALA   1   7.120   6.334  -2.912
    5    HB1  ALA   1          1HB       ALA   1   5.025   6.996  -1.920
    6    HB2  ALA   1          2HB       ALA   1   4.268   5.488  -2.395
    7    HB3  ALA   1          3HB       ALA   1   4.758   6.652  -3.628
    8    H    CYS   2           HN       CYS   2   5.162   3.643  -1.553
    9    HA   CYS   2           HA       CYS   2   6.432   3.912   0.963
   10    HB2  CYS   2          2HB       CYS   2   4.848   1.617  -0.174
   11    HB3  CYS   2          1HB       CYS   2   5.275   1.814   1.517
   12    H    LYS   3           HN       LYS   3   8.141   2.922   1.759
   13    HA   LYS   3           HA       LYS   3  10.030   1.820  -0.112
   14    HB2  LYS   3          2HB       LYS   3  10.245   2.087   2.894
   15    HB3  LYS   3          1HB       LYS   3  11.569   1.803   1.775
   16    HG2  LYS   3          2HG       LYS   3  11.247   3.991   0.788
   17    HG3  LYS   3          1HG       LYS   3   9.853   4.275   1.830
   18    HD2  LYS   3          2HD       LYS   3  11.348   4.046   3.802
   19    HD3  LYS   3          1HD       LYS   3  12.715   3.902   2.696
   20    HE2  LYS   3          2HE       LYS   3  12.243   6.116   1.799
   21    HE3  LYS   3          1HE       LYS   3  10.835   6.250   2.846
   22    HZ1  LYS   3          1HZ       LYS   3  12.737   7.422   3.752
   23    HZ2  LYS   3          2HZ       LYS   3  13.644   6.000   3.762
   24    HZ3  LYS   3          3HZ       LYS   3  12.290   6.142   4.759
   25    H    GLU   4           HN       GLU   4   8.497   0.703   2.870
   26    HA   GLU   4           HA       GLU   4   9.320  -1.995   2.329
   27    HB2  GLU   4          2HB       GLU   4   7.409  -1.019   4.409
   28    HB3  GLU   4          1HB       GLU   4   8.217  -2.581   4.323
   29    HG2  GLU   4          2HG       GLU   4   9.572   0.072   4.800
   30    HG3  GLU   4          1HG       GLU   4   9.256  -1.156   6.024
   31    H    TYR   5           HN       TYR   5   8.391  -2.598   0.664
   32    HA   TYR   5           HA       TYR   5   5.677  -2.099  -0.146
   33    HB2  TYR   5          2HB       TYR   5   7.544  -2.394  -1.722
   34    HB3  TYR   5          1HB       TYR   5   7.712  -4.049  -1.197
   35    HD1  TYR   5          1HD       TYR   5   6.811  -5.665  -2.489
   36    HD2  TYR   5          2HD       TYR   5   5.026  -1.822  -2.555
   37    HE1  TYR   5          1HE       TYR   5   5.260  -6.439  -4.191
   38    HE2  TYR   5          2HE       TYR   5   3.445  -2.580  -4.275
   39    HH   TYR   5           HH       TYR   5   3.053  -5.871  -5.064
   40    H    TRP   6           HN       TRP   6   7.443  -4.805   0.968
   41    HA   TRP   6           HA       TRP   6   5.441  -6.759   1.115
   42    HB2  TRP   6          2HB       TRP   6   7.049  -7.661   3.016
   43    HB3  TRP   6          1HB       TRP   6   7.522  -7.661   1.319
   44    HD1  TRP   6          1HD       TRP   6   8.102  -5.529   4.512
   45    HE1  TRP   6          1HE       TRP   6  10.377  -4.311   4.220
   46    HE3  TRP   6          3HE       TRP   6   9.235  -6.996  -0.255
   47    HZ2  TRP   6          2HZ       TRP   6  12.344  -4.048   2.275
   48    HZ3  TRP   6          3HZ       TRP   6  11.338  -6.213  -1.259
   49    HH2  TRP   6          2HH       TRP   6  12.861  -4.769  -0.021
   50    H    GLU   7           HN       GLU   7   6.122  -4.133   3.203
   51    HA   GLU   7           HA       GLU   7   4.682  -4.998   5.498
   52    HB2  GLU   7          2HB       GLU   7   6.341  -3.219   5.677
   53    HB3  GLU   7          1HB       GLU   7   5.452  -2.233   4.537
   54    HG2  GLU   7          2HG       GLU   7   3.667  -1.930   6.136
   55    HG3  GLU   7          1HG       GLU   7   4.460  -3.014   7.272
   56    H    CYS   8           HN       CYS   8   3.722  -3.863   2.462
   57    HA   CYS   8           HA       CYS   8   1.084  -3.080   3.361
   58    HB2  CYS   8          2HB       CYS   8   2.367  -3.028   0.643
   59    HB3  CYS   8          1HB       CYS   8   0.834  -2.295   1.117
   60    H    GLY   9           HN       GLY   9   2.637  -5.880   2.602
   61    HA2  GLY   9          2HA       GLY   9   1.756  -7.974   2.223
   62    HA3  GLY   9          1HA       GLY   9   0.176  -7.232   1.985
   63    H    ALA  10           HN       ALA  10  -0.282  -8.371   0.115
   64    HA   ALA  10           HA       ALA  10   1.590  -8.201  -2.095
   65    HB1  ALA  10          1HB       ALA  10   0.605 -10.378  -1.579
   66    HB2  ALA  10          2HB       ALA  10   0.154  -9.837  -3.197
   67    HB3  ALA  10          3HB       ALA  10  -1.005  -9.720  -1.874
   68    H    PHE  11           HN       PHE  11   1.484  -6.482  -3.300
   69    HA   PHE  11           HA       PHE  11   0.832  -4.666  -4.435
   70    HB2  PHE  11          2HB       PHE  11  -1.301  -6.604  -5.314
   71    HB3  PHE  11          1HB       PHE  11  -1.111  -5.012  -6.028
   72    HD1  PHE  11          1HD       PHE  11   0.752  -4.517  -7.468
   73    HD2  PHE  11          2HD       PHE  11   0.338  -8.349  -5.686
   74    HE1  PHE  11          1HE       PHE  11   2.417  -5.411  -9.023
   75    HE2  PHE  11          2HE       PHE  11   2.017  -9.259  -7.247
   76    HZ   PHE  11           HZ       PHE  11   3.058  -7.789  -8.917
   77    H    LEU  12           HN       LEU  12   0.433  -3.370  -2.625
   78    HA   LEU  12           HA       LEU  12  -2.392  -2.668  -2.514
   79    HB2  LEU  12          2HB       LEU  12  -1.519  -3.969  -0.490
   80    HB3  LEU  12          1HB       LEU  12  -0.559  -2.550  -0.143
   81    HG   LEU  12           HG       LEU  12  -2.580  -1.221   0.152
   82   HD11  LEU  12          1HD1      LEU  12  -4.045  -2.392  -1.417
   83   HD12  LEU  12          2HD1      LEU  12  -4.766  -2.402   0.193
   84   HD13  LEU  12          3HD1      LEU  12  -3.968  -3.846  -0.422
   85   HD21  LEU  12          1HD2      LEU  12  -1.642  -2.397   2.085
   86   HD22  LEU  12          2HD2      LEU  12  -2.653  -3.796   1.719
   87   HD23  LEU  12          3HD2      LEU  12  -3.397  -2.271   2.193
   88    H    PHE  13           HN       PHE  13  -2.804  -0.500  -2.551
   89    HA   PHE  13           HA       PHE  13  -0.656   1.154  -3.542
   90    HB2  PHE  13          2HB       PHE  13  -3.604   1.743  -3.168
   91    HB3  PHE  13          1HB       PHE  13  -2.456   2.776  -4.008
   92    HD1  PHE  13          1HD       PHE  13  -1.628   2.175  -6.213
   93    HD2  PHE  13          2HD       PHE  13  -4.445  -0.293  -4.182
   94    HE1  PHE  13          1HE       PHE  13  -2.102   0.991  -8.310
   95    HE2  PHE  13          2HE       PHE  13  -4.916  -1.482  -6.274
   96    HZ   PHE  13           HZ       PHE  13  -3.748  -0.842  -8.344
   97    H    CYS  14           HN       CYS  14  -0.190   3.285  -2.682
   98    HA   CYS  14           HA       CYS  14  -0.482   3.351   0.221
   99    HB2  CYS  14          2HB       CYS  14   1.321   4.986  -1.543
  100    HB3  CYS  14          1HB       CYS  14   1.346   4.910   0.202
  101    H    ILE  15           HN       ILE  15  -1.586   4.867   1.168
  102    HA   ILE  15           HA       ILE  15  -2.419   7.246  -0.224
  103    HB   ILE  15           HB       ILE  15  -4.235   5.378   1.320
  104   HG12  ILE  15          2HG1      ILE  15  -3.968   4.644  -1.005
  105   HG13  ILE  15          1HG1      ILE  15  -5.600   5.237  -0.737
  106   HG21  ILE  15          1HG2      ILE  15  -4.862   8.110   0.251
  107   HG22  ILE  15          2HG2      ILE  15  -4.772   7.618   1.945
  108   HG23  ILE  15          3HG2      ILE  15  -6.051   6.985   0.910
  109   HD11  ILE  15          1HD1      ILE  15  -3.361   6.690  -2.134
  110   HD12  ILE  15          2HD1      ILE  15  -4.948   7.369  -1.799
  111   HD13  ILE  15          3HD1      ILE  15  -4.796   5.982  -2.882
  112    H    GLU  16           HN       GLU  16  -1.761   8.756   0.979
  113    HA   GLU  16           HA       GLU  16  -1.086  10.094   2.629
  114    HB2  GLU  16          2HB       GLU  16  -2.823   8.272   4.196
  115    HB3  GLU  16          1HB       GLU  16  -2.134   9.780   4.852
  116    HG2  GLU  16          2HG       GLU  16  -3.367  11.029   3.126
  117    HG3  GLU  16          1HG       GLU  16  -4.040   9.524   2.513
  118    H    GLY  17           HN       GLY  17   0.280   7.498   2.024
  119    HA2  GLY  17          2HA       GLY  17   2.558   7.105   2.575
  120    HA3  GLY  17          1HA       GLY  17   2.245   7.710   4.192
  121    H    ILE  18           HN       ILE  18  -0.306   5.880   3.725
  122    HA   ILE  18           HA       ILE  18   1.000   3.443   4.748
  123    HB   ILE  18           HB       ILE  18  -1.817   4.451   5.308
  124   HG12  ILE  18          2HG1      ILE  18   0.585   4.462   7.145
  125   HG13  ILE  18          1HG1      ILE  18  -0.095   5.884   6.363
  126   HG21  ILE  18          1HG2      ILE  18  -0.260   2.166   6.520
  127   HG22  ILE  18          2HG2      ILE  18  -1.635   2.021   5.426
  128   HG23  ILE  18          3HG2      ILE  18  -1.856   2.697   7.042
  129   HD11  ILE  18          1HD1      ILE  18  -0.778   5.714   8.699
  130   HD12  ILE  18          2HD1      ILE  18  -1.502   4.139   8.379
  131   HD13  ILE  18          3HD1      ILE  18  -2.164   5.586   7.617
  132    H    CYS  19           HN       CYS  19   0.250   1.491   3.809
  133    HA   CYS  19           HA       CYS  19  -1.127   1.844   1.312
  134    HB2  CYS  19          2HB       CYS  19  -0.112  -0.705   2.581
  135    HB3  CYS  19          1HB       CYS  19  -0.695  -0.496   0.948
  136    H    VAL  20           HN       VAL  20  -3.173   1.453   0.918
  137    HA   VAL  20           HA       VAL  20  -4.771  -0.038   2.821
  138    HB   VAL  20           HB       VAL  20  -4.868   2.376   3.509
  139   HG11  VAL  20          1HG1      VAL  20  -5.970   4.038   2.137
  140   HG12  VAL  20          2HG1      VAL  20  -6.103   2.860   0.830
  141   HG13  VAL  20          3HG1      VAL  20  -4.513   3.397   1.366
  142   HG21  VAL  20          1HG2      VAL  20  -6.797   1.006   4.003
  143   HG22  VAL  20          2HG2      VAL  20  -7.471   1.331   2.405
  144   HG23  VAL  20          3HG2      VAL  20  -7.315   2.638   3.580
  145    HA   PRO  21           HA       PRO  21  -6.312  -1.541  -1.090
  146    HB2  PRO  21          2HB       PRO  21  -8.739  -2.481  -0.287
  147    HB3  PRO  21          1HB       PRO  21  -7.220  -3.340  -0.003
  148    HG2  PRO  21          2HG       PRO  21  -8.784  -1.579   1.843
  149    HG3  PRO  21          1HG       PRO  21  -8.012  -3.141   2.180
  150    HD2  PRO  21          2HD       PRO  21  -6.873  -0.831   2.906
  151    HD3  PRO  21          1HD       PRO  21  -5.897  -2.197   2.328
  152    H    MET  22           HN       MET  22  -7.494  -0.756  -2.765
  153    HA   MET  22           HA       MET  22  -9.040   1.538  -2.262
  154    HB2  MET  22          2HB       MET  22  -7.451   1.224  -4.254
  155    HB3  MET  22          1HB       MET  22  -8.701   0.118  -4.847
  156    HG2  MET  22          2HG       MET  22  -9.340   2.982  -4.272
  157    HG3  MET  22          1HG       MET  22  -8.628   2.502  -5.803
  158    HE1  MET  22          1HE       MET  22 -11.385   4.071  -5.464
  159    HE2  MET  22          2HE       MET  22 -12.401   3.246  -6.644
  160    HE3  MET  22          3HE       MET  22 -10.729   3.635  -7.044
  161    H    ILE  23           HN       ILE  23 -11.192   1.604  -2.681
  162    HA   ILE  23           HA       ILE  23 -12.547  -1.000  -2.409
  163    HB   ILE  23           HB       ILE  23 -13.633   1.701  -1.557
  164   HG12  ILE  23          2HG1      ILE  23 -11.657   1.158  -0.195
  165   HG13  ILE  23          1HG1      ILE  23 -13.120   1.053   0.768
  166   HG21  ILE  23          1HG2      ILE  23 -15.271   0.369  -0.274
  167   HG22  ILE  23          2HG2      ILE  23 -14.579  -1.104  -0.953
  168   HG23  ILE  23          3HG2      ILE  23 -15.369   0.064  -2.009
  169   HD11  ILE  23          1HD1      ILE  23 -11.578  -1.264  -0.385
  170   HD12  ILE  23          2HD1      ILE  23 -13.057  -1.386   0.569
  171   HD13  ILE  23          3HD1      ILE  23 -11.587  -0.746   1.302
  172    HN1  NH2  24           HN1      NH2  24 -12.901  -1.443  -4.502
  173    HN2  NH2  24           HN2      NH2  24 -13.873  -0.474  -5.559
  Start of MODEL   14
    1    H1   ALA   1          1HT       ALA   1   7.485   6.453  -0.932
    2    H2   ALA   1          2HT       ALA   1   6.684   7.066  -2.279
    3    H3   ALA   1          3HT       ALA   1   6.535   5.438  -1.860
    4    HA   ALA   1           HA       ALA   1   5.622   7.710  -0.225
    5    HB1  ALA   1          1HB       ALA   1   4.047   5.755  -1.899
    6    HB2  ALA   1          2HB       ALA   1   4.233   7.483  -2.212
    7    HB3  ALA   1          3HB       ALA   1   3.359   6.924  -0.783
    8    H    CYS   2           HN       CYS   2   4.959   4.236  -0.773
    9    HA   CYS   2           HA       CYS   2   4.619   3.799   2.025
   10    HB2  CYS   2          2HB       CYS   2   4.806   1.916  -0.336
   11    HB3  CYS   2          1HB       CYS   2   4.362   1.427   1.296
   12    H    LYS   3           HN       LYS   3   6.044   2.578   3.335
   13    HA   LYS   3           HA       LYS   3   8.761   3.107   2.640
   14    HB2  LYS   3          2HB       LYS   3   7.586   1.790   5.087
   15    HB3  LYS   3          1HB       LYS   3   9.299   2.137   4.875
   16    HG2  LYS   3          2HG       LYS   3   8.761   4.543   4.657
   17    HG3  LYS   3          1HG       LYS   3   7.067   4.166   4.933
   18    HD2  LYS   3          2HD       LYS   3   8.080   4.978   6.975
   19    HD3  LYS   3          1HD       LYS   3   7.647   3.285   7.164
   20    HE2  LYS   3          2HE       LYS   3   9.822   3.690   8.138
   21    HE3  LYS   3          1HE       LYS   3  10.002   2.668   6.723
   22    HZ1  LYS   3          1HZ       LYS   3  10.681   4.641   5.452
   23    HZ2  LYS   3          2HZ       LYS   3  11.682   4.402   6.784
   24    HZ3  LYS   3          3HZ       LYS   3  10.502   5.593   6.820
   25    H    GLU   4           HN       GLU   4   7.036   0.064   3.443
   26    HA   GLU   4           HA       GLU   4   8.756  -1.208   1.492
   27    HB2  GLU   4          2HB       GLU   4   7.999  -2.202   4.192
   28    HB3  GLU   4          1HB       GLU   4   8.767  -3.176   2.957
   29    HG2  GLU   4          2HG       GLU   4  10.719  -1.721   2.971
   30    HG3  GLU   4          1HG       GLU   4   9.957  -0.693   4.181
   31    H    TYR   5           HN       TYR   5   7.479  -1.702   0.028
   32    HA   TYR   5           HA       TYR   5   4.666  -1.842   0.111
   33    HB2  TYR   5          2HB       TYR   5   6.042  -1.272  -1.874
   34    HB3  TYR   5          1HB       TYR   5   6.569  -2.926  -1.949
   35    HD1  TYR   5          1HD       TYR   5   5.613  -4.227  -3.547
   36    HD2  TYR   5          2HD       TYR   5   3.280  -1.125  -1.806
   37    HE1  TYR   5          1HE       TYR   5   3.778  -4.797  -5.030
   38    HE2  TYR   5          2HE       TYR   5   1.419  -1.687  -3.298
   39    HH   TYR   5           HH       TYR   5   1.491  -4.541  -5.317
   40    H    TRP   6           HN       TRP   6   7.099  -4.255  -0.109
   41    HA   TRP   6           HA       TRP   6   5.515  -6.560  -0.353
   42    HB2  TRP   6          2HB       TRP   6   7.437  -7.874   0.201
   43    HB3  TRP   6          1HB       TRP   6   8.051  -6.441  -0.608
   44    HD1  TRP   6          1HD       TRP   6   9.217  -4.543   1.092
   45    HE1  TRP   6          1HE       TRP   6  10.471  -4.903   3.337
   46    HE3  TRP   6          3HE       TRP   6   7.644  -9.273   2.179
   47    HZ2  TRP   6          2HZ       TRP   6  10.762  -6.915   5.253
   48    HZ3  TRP   6          3HZ       TRP   6   8.462 -10.341   4.234
   49    HH2  TRP   6          2HH       TRP   6   9.986  -9.182   5.734
   50    H    GLU   7           HN       GLU   7   6.382  -4.767   2.492
   51    HA   GLU   7           HA       GLU   7   5.675  -6.693   4.450
   52    HB2  GLU   7          2HB       GLU   7   7.252  -4.934   4.922
   53    HB3  GLU   7          1HB       GLU   7   6.045  -3.711   4.566
   54    HG2  GLU   7          2HG       GLU   7   4.739  -4.501   6.498
   55    HG3  GLU   7          1HG       GLU   7   6.042  -5.627   6.876
   56    H    CYS   8           HN       CYS   8   3.990  -4.332   2.682
   57    HA   CYS   8           HA       CYS   8   1.774  -4.056   4.435
   58    HB2  CYS   8          2HB       CYS   8   2.090  -3.316   1.537
   59    HB3  CYS   8          1HB       CYS   8   0.827  -2.759   2.631
   60    H    GLY   9           HN       GLY   9   2.689  -6.344   2.035
   61    HA2  GLY   9          2HA       GLY   9   1.370  -8.416   2.218
   62    HA3  GLY   9          1HA       GLY   9  -0.050  -7.388   2.035
   63    H    ALA  10           HN       ALA  10  -0.605  -8.633   0.201
   64    HA   ALA  10           HA       ALA  10   1.153  -8.283  -2.094
   65    HB1  ALA  10          1HB       ALA  10   0.438 -10.570  -1.613
   66    HB2  ALA  10          2HB       ALA  10  -0.170 -10.021  -3.173
   67    HB3  ALA  10          3HB       ALA  10  -1.248 -10.079  -1.777
   68    H    PHE  11           HN       PHE  11   0.785  -6.612  -3.255
   69    HA   PHE  11           HA       PHE  11  -0.107  -4.984  -4.501
   70    HB2  PHE  11          2HB       PHE  11  -1.181  -6.837  -5.705
   71    HB3  PHE  11          1HB       PHE  11  -2.566  -6.742  -4.626
   72    HD1  PHE  11          1HD       PHE  11  -0.630  -4.805  -7.123
   73    HD2  PHE  11          2HD       PHE  11  -4.353  -5.315  -5.130
   74    HE1  PHE  11          1HE       PHE  11  -1.659  -3.173  -8.636
   75    HE2  PHE  11          2HE       PHE  11  -5.386  -3.680  -6.640
   76    HZ   PHE  11           HZ       PHE  11  -4.039  -2.604  -8.393
   77    H    LEU  12           HN       LEU  12  -0.131  -3.261  -3.251
   78    HA   LEU  12           HA       LEU  12  -2.694  -2.466  -2.065
   79    HB2  LEU  12          2HB       LEU  12   0.037  -2.181  -0.778
   80    HB3  LEU  12          1HB       LEU  12  -1.328  -1.205  -0.309
   81    HG   LEU  12           HG       LEU  12  -1.025  -2.893   1.323
   82   HD11  LEU  12          1HD1      LEU  12  -3.370  -3.641  -0.375
   83   HD12  LEU  12          2HD1      LEU  12  -3.301  -2.376   0.851
   84   HD13  LEU  12          3HD1      LEU  12  -3.130  -4.068   1.319
   85   HD21  LEU  12          1HD2      LEU  12   0.275  -4.502   0.061
   86   HD22  LEU  12          2HD2      LEU  12  -1.149  -4.936  -0.884
   87   HD23  LEU  12          3HD2      LEU  12  -1.094  -5.290   0.844
   88    H    PHE  13           HN       PHE  13  -2.850  -0.070  -1.890
   89    HA   PHE  13           HA       PHE  13  -1.285   1.196  -4.007
   90    HB2  PHE  13          2HB       PHE  13  -3.959   1.956  -2.787
   91    HB3  PHE  13          1HB       PHE  13  -3.126   2.870  -4.033
   92    HD1  PHE  13          1HD       PHE  13  -4.936  -0.240  -3.291
   93    HD2  PHE  13          2HD       PHE  13  -3.224   2.203  -6.318
   94    HE1  PHE  13          1HE       PHE  13  -6.100  -1.561  -5.016
   95    HE2  PHE  13          2HE       PHE  13  -4.383   0.891  -8.037
   96    HZ   PHE  13           HZ       PHE  13  -5.823  -0.990  -7.387
   97    H    CYS  14           HN       CYS  14  -0.391   3.253  -3.517
   98    HA   CYS  14           HA       CYS  14  -0.088   3.651  -0.641
   99    HB2  CYS  14          2HB       CYS  14   1.532   4.831  -2.875
  100    HB3  CYS  14          1HB       CYS  14   1.762   5.093  -1.158
  101    H    ILE  15           HN       ILE  15  -0.831   5.309   0.311
  102    HA   ILE  15           HA       ILE  15  -1.327   7.744  -1.003
  103    HB   ILE  15           HB       ILE  15  -3.364   6.636  -1.603
  104   HG12  ILE  15          2HG1      ILE  15  -4.001   8.423   0.746
  105   HG13  ILE  15          1HG1      ILE  15  -3.507   9.018  -0.836
  106   HG21  ILE  15          1HG2      ILE  15  -3.382   4.825  -0.031
  107   HG22  ILE  15          2HG2      ILE  15  -4.931   5.660  -0.012
  108   HG23  ILE  15          3HG2      ILE  15  -3.769   5.932   1.289
  109   HD11  ILE  15          1HD1      ILE  15  -5.987   7.426  -0.224
  110   HD12  ILE  15          2HD1      ILE  15  -5.524   8.037  -1.811
  111   HD13  ILE  15          3HD1      ILE  15  -5.919   9.163  -0.511
  112    H    GLU  16           HN       GLU  16  -0.643   9.169   0.285
  113    HA   GLU  16           HA       GLU  16  -0.094  10.409   2.005
  114    HB2  GLU  16          2HB       GLU  16  -2.038   8.646   3.388
  115    HB3  GLU  16          1HB       GLU  16  -1.314  10.095   4.134
  116    HG2  GLU  16          2HG       GLU  16  -3.074  10.003   1.673
  117    HG3  GLU  16          1HG       GLU  16  -3.597  10.518   3.276
  118    H    GLY  17           HN       GLY  17   1.118   7.812   1.337
  119    HA2  GLY  17          2HA       GLY  17   3.223   6.972   1.976
  120    HA3  GLY  17          1HA       GLY  17   3.022   7.757   3.536
  121    H    ILE  18           HN       ILE  18   0.268   6.054   2.760
  122    HA   ILE  18           HA       ILE  18   1.149   3.822   4.452
  123    HB   ILE  18           HB       ILE  18  -1.621   5.053   4.232
  124   HG12  ILE  18          2HG1      ILE  18  -0.073   6.571   5.373
  125   HG13  ILE  18          1HG1      ILE  18  -1.268   5.933   6.489
  126   HG21  ILE  18          1HG2      ILE  18  -0.611   2.922   6.117
  127   HG22  ILE  18          2HG2      ILE  18  -1.730   2.681   4.779
  128   HG23  ILE  18          3HG2      ILE  18  -2.213   3.660   6.165
  129   HD11  ILE  18          1HD1      ILE  18   0.410   4.362   7.355
  130   HD12  ILE  18          2HD1      ILE  18   0.929   6.040   7.515
  131   HD13  ILE  18          3HD1      ILE  18   1.601   5.032   6.236
  132    H    CYS  19           HN       CYS  19   0.543   1.776   3.807
  133    HA   CYS  19           HA       CYS  19  -0.261   1.423   1.058
  134    HB2  CYS  19          2HB       CYS  19   0.229  -0.609   3.241
  135    HB3  CYS  19          1HB       CYS  19   0.020  -0.961   1.536
  136    H    VAL  20           HN       VAL  20  -2.368   1.629   0.631
  137    HA   VAL  20           HA       VAL  20  -4.296   0.445   2.508
  138    HB   VAL  20           HB       VAL  20  -4.668   2.971   0.839
  139   HG11  VAL  20          1HG1      VAL  20  -6.809   3.240   1.990
  140   HG12  VAL  20          2HG1      VAL  20  -6.557   1.710   2.824
  141   HG13  VAL  20          3HG1      VAL  20  -6.762   1.733   1.072
  142   HG21  VAL  20          1HG2      VAL  20  -4.779   4.166   2.982
  143   HG22  VAL  20          2HG2      VAL  20  -3.216   3.380   2.751
  144   HG23  VAL  20          3HG2      VAL  20  -4.411   2.663   3.830
  145    HA   PRO  21           HA       PRO  21  -5.512  -1.654  -1.290
  146    HB2  PRO  21          2HB       PRO  21  -7.654  -2.988  -0.322
  147    HB3  PRO  21          1HB       PRO  21  -6.003  -3.489   0.060
  148    HG2  PRO  21          2HG       PRO  21  -7.938  -1.927   1.719
  149    HG3  PRO  21          1HG       PRO  21  -6.822  -3.212   2.209
  150    HD2  PRO  21          2HD       PRO  21  -6.329  -0.543   2.571
  151    HD3  PRO  21          1HD       PRO  21  -5.054  -1.768   2.407
  152    H    MET  22           HN       MET  22  -7.342  -1.494  -2.776
  153    HA   MET  22           HA       MET  22  -8.766   0.902  -2.340
  154    HB2  MET  22          2HB       MET  22  -7.688   0.454  -4.529
  155    HB3  MET  22          1HB       MET  22  -8.799  -0.905  -4.726
  156    HG2  MET  22          2HG       MET  22  -9.439   1.112  -6.011
  157    HG3  MET  22          1HG       MET  22 -10.673   0.551  -4.880
  158    HE1  MET  22          1HE       MET  22 -10.525   3.473  -6.275
  159    HE2  MET  22          2HE       MET  22 -11.034   4.480  -4.919
  160    HE3  MET  22          3HE       MET  22 -11.845   2.946  -5.230
  161    H    ILE  23           HN       ILE  23 -11.043   0.954  -2.610
  162    HA   ILE  23           HA       ILE  23 -12.272  -1.504  -1.614
  163    HB   ILE  23           HB       ILE  23 -12.348   0.222   0.062
  164   HG12  ILE  23          2HG1      ILE  23 -14.825   0.482   0.447
  165   HG13  ILE  23          1HG1      ILE  23 -15.081  -0.202  -1.153
  166   HG21  ILE  23          1HG2      ILE  23 -12.082   2.194  -1.248
  167   HG22  ILE  23          2HG2      ILE  23 -13.472   2.363  -0.181
  168   HG23  ILE  23          3HG2      ILE  23 -13.715   2.027  -1.897
  169   HD11  ILE  23          1HD1      ILE  23 -14.003  -2.269  -0.442
  170   HD12  ILE  23          2HD1      ILE  23 -15.379  -1.866   0.586
  171   HD13  ILE  23          3HD1      ILE  23 -13.737  -1.579   1.158
  172    HN1  NH2  24           HN1      NH2  24 -12.822  -2.427  -3.503
  173    HN2  NH2  24           HN2      NH2  24 -13.972  -1.781  -4.620
  Start of MODEL   15
    1    H1   ALA   1          1HT       ALA   1   4.214   4.769  -3.545
    2    H2   ALA   1          2HT       ALA   1   4.417   3.103  -3.604
    3    H3   ALA   1          3HT       ALA   1   5.415   4.101  -4.524
    4    HA   ALA   1           HA       ALA   1   6.542   3.255  -2.602
    5    HB1  ALA   1          1HB       ALA   1   5.987   6.212  -2.416
    6    HB2  ALA   1          2HB       ALA   1   7.156   5.455  -3.498
    7    HB3  ALA   1          3HB       ALA   1   7.384   5.364  -1.750
    8    H    CYS   2           HN       CYS   2   5.193   1.946  -1.321
    9    HA   CYS   2           HA       CYS   2   3.775   3.245   0.853
   10    HB2  CYS   2          2HB       CYS   2   4.200   0.347   0.084
   11    HB3  CYS   2          1HB       CYS   2   3.475   0.805   1.607
   12    H    LYS   3           HN       LYS   3   4.475   3.079   3.004
   13    HA   LYS   3           HA       LYS   3   7.217   3.464   3.430
   14    HB2  LYS   3          2HB       LYS   3   5.138   2.619   5.441
   15    HB3  LYS   3          1HB       LYS   3   6.708   3.304   5.832
   16    HG2  LYS   3          2HG       LYS   3   6.086   5.385   4.749
   17    HG3  LYS   3          1HG       LYS   3   4.533   4.698   4.294
   18    HD2  LYS   3          2HD       LYS   3   5.468   5.047   7.147
   19    HD3  LYS   3          1HD       LYS   3   4.483   6.220   6.287
   20    HE2  LYS   3          2HE       LYS   3   2.944   4.986   7.581
   21    HE3  LYS   3          1HE       LYS   3   2.801   4.321   5.967
   22    HZ1  LYS   3          1HZ       LYS   3   2.818   2.673   7.782
   23    HZ2  LYS   3          2HZ       LYS   3   4.420   3.044   8.118
   24    HZ3  LYS   3          3HZ       LYS   3   3.994   2.351   6.655
   25    H    GLU   4           HN       GLU   4   5.268   0.664   4.474
   26    HA   GLU   4           HA       GLU   4   7.732  -0.822   4.370
   27    HB2  GLU   4          2HB       GLU   4   6.623  -2.479   5.713
   28    HB3  GLU   4          1HB       GLU   4   6.961  -0.952   6.525
   29    HG2  GLU   4          2HG       GLU   4   4.221  -1.763   5.457
   30    HG3  GLU   4          1HG       GLU   4   4.709  -2.019   7.124
   31    H    TYR   5           HN       TYR   5   7.701  -1.096   2.403
   32    HA   TYR   5           HA       TYR   5   5.565  -2.060   0.756
   33    HB2  TYR   5          2HB       TYR   5   7.546  -0.855  -0.134
   34    HB3  TYR   5          1HB       TYR   5   8.502  -2.287   0.159
   35    HD1  TYR   5          1HD       TYR   5   8.850  -3.772  -1.596
   36    HD2  TYR   5          2HD       TYR   5   5.339  -1.364  -1.623
   37    HE1  TYR   5          1HE       TYR   5   8.234  -4.702  -3.774
   38    HE2  TYR   5          2HE       TYR   5   4.716  -2.286  -3.802
   39    HH   TYR   5           HH       TYR   5   6.244  -5.016  -5.143
   40    H    TRP   6           HN       TRP   6   8.285  -3.586   2.141
   41    HA   TRP   6           HA       TRP   6   7.868  -6.207   1.120
   42    HB2  TRP   6          2HB       TRP   6   9.533  -6.959   2.749
   43    HB3  TRP   6          1HB       TRP   6  10.054  -5.453   2.004
   44    HD1  TRP   6          1HD       TRP   6   9.147  -6.981   5.345
   45    HE1  TRP   6          1HE       TRP   6   9.569  -5.286   7.218
   46    HE3  TRP   6          3HE       TRP   6  10.092  -2.825   2.494
   47    HZ2  TRP   6          2HZ       TRP   6  10.206  -2.555   7.467
   48    HZ3  TRP   6          3HZ       TRP   6  10.596  -0.714   3.642
   49    HH2  TRP   6          2HH       TRP   6  10.655  -0.585   6.078
   50    H    GLU   7           HN       GLU   7   6.501  -4.505   3.763
   51    HA   GLU   7           HA       GLU   7   5.565  -6.845   5.150
   52    HB2  GLU   7          2HB       GLU   7   6.273  -4.866   6.398
   53    HB3  GLU   7          1HB       GLU   7   5.053  -3.913   5.574
   54    HG2  GLU   7          2HG       GLU   7   4.336  -4.435   7.807
   55    HG3  GLU   7          1HG       GLU   7   3.307  -5.245   6.631
   56    H    CYS   8           HN       CYS   8   4.179  -4.170   3.445
   57    HA   CYS   8           HA       CYS   8   1.518  -5.115   3.604
   58    HB2  CYS   8          2HB       CYS   8   2.690  -3.086   1.717
   59    HB3  CYS   8          1HB       CYS   8   0.996  -3.280   2.152
   60    H    GLY   9           HN       GLY   9   3.963  -5.200   1.082
   61    HA2  GLY   9          2HA       GLY   9   4.171  -6.731  -0.639
   62    HA3  GLY   9          1HA       GLY   9   2.641  -7.445  -0.150
   63    H    ALA  10           HN       ALA  10   3.415  -6.958  -2.789
   64    HA   ALA  10           HA       ALA  10   2.099  -4.621  -3.753
   65    HB1  ALA  10          1HB       ALA  10   3.031  -7.075  -5.250
   66    HB2  ALA  10          2HB       ALA  10   3.980  -5.614  -4.978
   67    HB3  ALA  10          3HB       ALA  10   2.529  -5.549  -5.978
   68    H    PHE  11           HN       PHE  11   0.085  -4.572  -3.176
   69    HA   PHE  11           HA       PHE  11  -1.934  -5.735  -4.660
   70    HB2  PHE  11          2HB       PHE  11  -1.466  -7.821  -3.335
   71    HB3  PHE  11          1HB       PHE  11  -1.771  -6.920  -1.853
   72    HD1  PHE  11          1HD       PHE  11  -3.902  -6.986  -0.940
   73    HD2  PHE  11          2HD       PHE  11  -3.417  -7.783  -5.091
   74    HE1  PHE  11          1HE       PHE  11  -6.297  -7.517  -1.119
   75    HE2  PHE  11          2HE       PHE  11  -5.812  -8.313  -5.269
   76    HZ   PHE  11           HZ       PHE  11  -7.252  -8.178  -3.284
   77    H    LEU  12           HN       LEU  12  -0.824  -4.321  -1.691
   78    HA   LEU  12           HA       LEU  12  -3.251  -2.834  -1.258
   79    HB2  LEU  12          2HB       LEU  12  -0.522  -2.720   0.038
   80    HB3  LEU  12          1HB       LEU  12  -1.798  -1.596   0.433
   81    HG   LEU  12           HG       LEU  12  -1.632  -3.265   2.139
   82   HD11  LEU  12          1HD1      LEU  12  -3.900  -4.124   2.195
   83   HD12  LEU  12          2HD1      LEU  12  -4.096  -3.718   0.493
   84   HD13  LEU  12          3HD1      LEU  12  -3.841  -2.438   1.679
   85   HD21  LEU  12          1HD2      LEU  12  -2.050  -5.642   1.724
   86   HD22  LEU  12          2HD2      LEU  12  -0.612  -5.077   0.875
   87   HD23  LEU  12          3HD2      LEU  12  -2.117  -5.324  -0.009
   88    H    PHE  13           HN       PHE  13  -3.432  -0.608  -1.471
   89    HA   PHE  13           HA       PHE  13  -1.815   0.482  -3.622
   90    HB2  PHE  13          2HB       PHE  13  -4.405   1.410  -2.347
   91    HB3  PHE  13          1HB       PHE  13  -3.595   2.228  -3.674
   92    HD1  PHE  13          1HD       PHE  13  -5.395  -0.852  -2.702
   93    HD2  PHE  13          2HD       PHE  13  -3.859   1.483  -5.910
   94    HE1  PHE  13          1HE       PHE  13  -6.652  -2.232  -4.314
   95    HE2  PHE  13          2HE       PHE  13  -5.109   0.117  -7.510
   96    HZ   PHE  13           HZ       PHE  13  -6.510  -1.745  -6.715
   97    H    CYS  14           HN       CYS  14  -0.753   2.460  -3.335
   98    HA   CYS  14           HA       CYS  14  -0.260   3.081  -0.529
   99    HB2  CYS  14          2HB       CYS  14   1.276   4.048  -2.900
  100    HB3  CYS  14          1HB       CYS  14   1.731   4.159  -1.217
  101    H    ILE  15           HN       ILE  15  -1.165   4.734   0.202
  102    HA   ILE  15           HA       ILE  15  -1.693   7.053  -1.464
  103    HB   ILE  15           HB       ILE  15  -3.641   5.892   0.558
  104   HG12  ILE  15          2HG1      ILE  15  -3.925   6.211  -2.450
  105   HG13  ILE  15          1HG1      ILE  15  -3.705   4.689  -1.599
  106   HG21  ILE  15          1HG2      ILE  15  -3.853   8.406  -1.106
  107   HG22  ILE  15          2HG2      ILE  15  -3.622   8.328   0.641
  108   HG23  ILE  15          3HG2      ILE  15  -5.131   7.761  -0.076
  109   HD11  ILE  15          1HD1      ILE  15  -6.016   5.011  -2.290
  110   HD12  ILE  15          2HD1      ILE  15  -6.091   6.515  -1.369
  111   HD13  ILE  15          3HD1      ILE  15  -5.886   4.977  -0.532
  112    H    GLU  16           HN       GLU  16  -0.511   8.455  -0.662
  113    HA   GLU  16           HA       GLU  16   0.707   9.807   0.642
  114    HB2  GLU  16          2HB       GLU  16  -1.225   8.790   2.642
  115    HB3  GLU  16          1HB       GLU  16  -0.009  10.036   3.009
  116    HG2  GLU  16          2HG       GLU  16  -2.251  10.220   0.992
  117    HG3  GLU  16          1HG       GLU  16  -2.204  11.032   2.557
  118    H    GLY  17           HN       GLY  17   1.291   6.941   0.300
  119    HA2  GLY  17          2HA       GLY  17   3.263   5.768   0.805
  120    HA3  GLY  17          1HA       GLY  17   3.474   6.786   2.224
  121    H    ILE  18           HN       ILE  18   0.393   5.973   2.409
  122    HA   ILE  18           HA       ILE  18   0.908   3.908   4.387
  123    HB   ILE  18           HB       ILE  18  -1.748   5.172   3.655
  124   HG12  ILE  18          2HG1      ILE  18  -0.204   6.995   4.277
  125   HG13  ILE  18          1HG1      ILE  18  -1.455   6.783   5.490
  126   HG21  ILE  18          1HG2      ILE  18  -2.409   4.543   5.937
  127   HG22  ILE  18          2HG2      ILE  18  -0.824   3.815   6.183
  128   HG23  ILE  18          3HG2      ILE  18  -1.921   3.145   4.976
  129   HD11  ILE  18          1HD1      ILE  18   0.161   5.583   6.902
  130   HD12  ILE  18          2HD1      ILE  18   0.677   7.225   6.517
  131   HD13  ILE  18          3HD1      ILE  18   1.401   5.857   5.675
  132    H    CYS  19           HN       CYS  19   0.310   1.813   4.063
  133    HA   CYS  19           HA       CYS  19  -0.548   0.933   1.444
  134    HB2  CYS  19          2HB       CYS  19  -0.365  -0.712   3.952
  135    HB3  CYS  19          1HB       CYS  19  -0.270  -1.259   2.292
  136    H    VAL  20           HN       VAL  20  -2.723   1.196   1.011
  137    HA   VAL  20           HA       VAL  20  -4.554   0.187   3.047
  138    HB   VAL  20           HB       VAL  20  -6.227   1.960   2.417
  139   HG11  VAL  20          1HG1      VAL  20  -3.663   2.972   3.621
  140   HG12  VAL  20          2HG1      VAL  20  -4.948   2.123   4.477
  141   HG13  VAL  20          3HG1      VAL  20  -5.253   3.718   3.786
  142   HG21  VAL  20          1HG2      VAL  20  -5.286   2.643   0.284
  143   HG22  VAL  20          2HG2      VAL  20  -3.838   3.240   1.094
  144   HG23  VAL  20          3HG2      VAL  20  -5.394   4.022   1.379
  145    HA   PRO  21           HA       PRO  21  -6.508  -1.733  -0.520
  146    HB2  PRO  21          2HB       PRO  21  -9.024  -1.852   0.951
  147    HB3  PRO  21          1HB       PRO  21  -7.958  -3.188   0.519
  148    HG2  PRO  21          2HG       PRO  21  -8.324  -2.355   3.084
  149    HG3  PRO  21          1HG       PRO  21  -6.823  -3.099   2.512
  150    HD2  PRO  21          2HD       PRO  21  -7.454  -0.211   2.965
  151    HD3  PRO  21          1HD       PRO  21  -5.971  -1.125   3.328
  152    H    MET  22           HN       MET  22  -7.902  -0.946  -2.176
  153    HA   MET  22           HA       MET  22  -8.636   1.738  -1.737
  154    HB2  MET  22          2HB       MET  22  -7.488   1.073  -3.845
  155    HB3  MET  22          1HB       MET  22  -8.948   0.152  -4.247
  156    HG2  MET  22          2HG       MET  22 -10.245   2.226  -4.276
  157    HG3  MET  22          1HG       MET  22  -8.782   3.139  -3.927
  158    HE1  MET  22          1HE       MET  22  -9.522   0.824  -7.855
  159    HE2  MET  22          2HE       MET  22 -10.682   0.912  -6.531
  160    HE3  MET  22          3HE       MET  22  -9.173   0.022  -6.327
  161    H    ILE  23           HN       ILE  23 -10.691   2.496  -2.068
  162    HA   ILE  23           HA       ILE  23 -12.840   0.569  -2.295
  163    HB   ILE  23           HB       ILE  23 -12.659   1.094   0.020
  164   HG12  ILE  23          2HG1      ILE  23 -15.035   2.554  -1.169
  165   HG13  ILE  23          1HG1      ILE  23 -14.940   0.831  -0.836
  166   HG21  ILE  23          1HG2      ILE  23 -12.787   4.009  -0.671
  167   HG22  ILE  23          2HG2      ILE  23 -11.445   3.126   0.061
  168   HG23  ILE  23          3HG2      ILE  23 -12.941   3.364   0.963
  169   HD11  ILE  23          1HD1      ILE  23 -16.265   1.977   0.842
  170   HD12  ILE  23          2HD1      ILE  23 -14.907   3.041   1.210
  171   HD13  ILE  23          3HD1      ILE  23 -14.796   1.317   1.562
  172    HN1  NH2  24           HN1      NH2  24 -13.362   1.027  -4.340
  173    HN2  NH2  24           HN2      NH2  24 -13.789   2.581  -4.948
  Start of MODEL   16
    1    H1   ALA   1          1HT       ALA   1   7.577   6.546  -1.987
    2    H2   ALA   1          2HT       ALA   1   6.965   7.306  -3.347
    3    H3   ALA   1          3HT       ALA   1   6.865   5.639  -3.200
    4    HA   ALA   1           HA       ALA   1   5.535   7.620  -1.457
    5    HB1  ALA   1          1HB       ALA   1   4.300   5.801  -3.523
    6    HB2  ALA   1          2HB       ALA   1   4.553   7.534  -3.709
    7    HB3  ALA   1          3HB       ALA   1   3.446   6.931  -2.476
    8    H    CYS   2           HN       CYS   2   5.354   4.174  -2.454
    9    HA   CYS   2           HA       CYS   2   4.327   3.460   0.118
   10    HB2  CYS   2          2HB       CYS   2   5.269   1.716  -2.124
   11    HB3  CYS   2          1HB       CYS   2   4.203   1.253  -0.808
   12    H    LYS   3           HN       LYS   3   5.480   2.894   1.747
   13    HA   LYS   3           HA       LYS   3   8.359   3.036   1.656
   14    HB2  LYS   3          2HB       LYS   3   6.616   2.237   3.989
   15    HB3  LYS   3          1HB       LYS   3   8.256   2.839   4.032
   16    HG2  LYS   3          2HG       LYS   3   5.936   4.478   3.044
   17    HG3  LYS   3          1HG       LYS   3   6.463   4.460   4.720
   18    HD2  LYS   3          2HD       LYS   3   8.177   5.268   2.365
   19    HD3  LYS   3          1HD       LYS   3   7.337   6.389   3.434
   20    HE2  LYS   3          2HE       LYS   3   9.566   4.487   4.154
   21    HE3  LYS   3          1HE       LYS   3   9.623   6.246   4.136
   22    HZ1  LYS   3          1HZ       LYS   3   7.943   6.214   5.972
   23    HZ2  LYS   3          2HZ       LYS   3   9.394   5.481   6.370
   24    HZ3  LYS   3          3HZ       LYS   3   8.077   4.536   6.012
   25    H    GLU   4           HN       GLU   4   5.983   0.596   2.692
   26    HA   GLU   4           HA       GLU   4   7.972  -1.513   2.263
   27    HB2  GLU   4          2HB       GLU   4   5.537  -1.580   4.027
   28    HB3  GLU   4          1HB       GLU   4   6.868  -2.717   3.981
   29    HG2  GLU   4          2HG       GLU   4   6.895   0.087   5.083
   30    HG3  GLU   4          1HG       GLU   4   6.973  -1.420   5.987
   31    H    TYR   5           HN       TYR   5   7.208  -3.154   0.892
   32    HA   TYR   5           HA       TYR   5   4.512  -2.790  -0.166
   33    HB2  TYR   5          2HB       TYR   5   6.466  -3.272  -1.701
   34    HB3  TYR   5          1HB       TYR   5   6.571  -4.853  -0.952
   35    HD1  TYR   5          1HD       TYR   5   4.107  -2.700  -2.765
   36    HD2  TYR   5          2HD       TYR   5   5.440  -6.648  -1.914
   37    HE1  TYR   5          1HE       TYR   5   2.484  -3.588  -4.359
   38    HE2  TYR   5          2HE       TYR   5   3.824  -7.544  -3.495
   39    HH   TYR   5           HH       TYR   5   1.840  -6.990  -4.588
   40    H    TRP   6           HN       TRP   6   6.460  -5.174   1.342
   41    HA   TRP   6           HA       TRP   6   4.788  -7.332   1.683
   42    HB2  TRP   6          2HB       TRP   6   6.222  -8.010   3.596
   43    HB3  TRP   6          1HB       TRP   6   7.160  -7.473   2.210
   44    HD1  TRP   6          1HD       TRP   6   8.199  -4.889   2.435
   45    HE1  TRP   6          1HE       TRP   6   9.018  -3.627   4.534
   46    HE3  TRP   6          3HE       TRP   6   6.022  -7.778   6.032
   47    HZ2  TRP   6          2HZ       TRP   6   8.811  -3.857   7.308
   48    HZ3  TRP   6          3HZ       TRP   6   6.395  -7.195   8.383
   49    HH2  TRP   6          2HH       TRP   6   7.762  -5.274   9.010
   50    H    GLU   7           HN       GLU   7   5.036  -4.589   3.906
   51    HA   GLU   7           HA       GLU   7   3.241  -5.561   5.896
   52    HB2  GLU   7          2HB       GLU   7   4.937  -3.889   6.401
   53    HB3  GLU   7          1HB       GLU   7   4.251  -2.791   5.224
   54    HG2  GLU   7          2HG       GLU   7   3.689  -2.011   7.409
   55    HG3  GLU   7          1HG       GLU   7   2.223  -2.612   6.646
   56    H    CYS   8           HN       CYS   8   2.851  -3.981   2.926
   57    HA   CYS   8           HA       CYS   8   0.240  -2.972   3.582
   58    HB2  CYS   8          2HB       CYS   8   1.925  -2.670   1.127
   59    HB3  CYS   8          1HB       CYS   8   0.438  -1.804   1.524
   60    H    GLY   9           HN       GLY   9   1.754  -5.404   1.585
   61    HA2  GLY   9          2HA       GLY   9   0.458  -7.463   1.369
   62    HA3  GLY   9          1HA       GLY   9  -0.950  -6.453   1.075
   63    H    ALA  10           HN       ALA  10  -1.440  -7.286  -0.902
   64    HA   ALA  10           HA       ALA  10   0.565  -6.934  -3.005
   65    HB1  ALA  10          1HB       ALA  10  -1.813  -8.781  -2.907
   66    HB2  ALA  10          2HB       ALA  10  -0.129  -9.260  -2.688
   67    HB3  ALA  10          3HB       ALA  10  -0.676  -8.641  -4.246
   68    H    PHE  11           HN       PHE  11   0.185  -5.357  -4.351
   69    HA   PHE  11           HA       PHE  11  -0.694  -3.637  -5.423
   70    HB2  PHE  11          2HB       PHE  11  -1.964  -5.407  -6.648
   71    HB3  PHE  11          1HB       PHE  11  -3.289  -5.210  -5.506
   72    HD1  PHE  11          1HD       PHE  11  -1.317  -3.447  -8.097
   73    HD2  PHE  11          2HD       PHE  11  -4.903  -3.514  -5.821
   74    HE1  PHE  11          1HE       PHE  11  -2.242  -1.642  -9.493
   75    HE2  PHE  11          2HE       PHE  11  -5.828  -1.714  -7.216
   76    HZ   PHE  11           HZ       PHE  11  -4.495  -0.778  -9.050
   77    H    LEU  12           HN       LEU  12  -0.697  -1.930  -4.267
   78    HA   LEU  12           HA       LEU  12  -2.995  -1.397  -2.617
   79    HB2  LEU  12          2HB       LEU  12  -1.409  -0.395  -0.859
   80    HB3  LEU  12          1HB       LEU  12  -1.692  -2.110  -0.865
   81    HG   LEU  12           HG       LEU  12   0.653  -1.409  -0.337
   82   HD11  LEU  12          1HD1      LEU  12   0.233  -3.651  -1.013
   83   HD12  LEU  12          2HD1      LEU  12   1.766  -3.094  -1.684
   84   HD13  LEU  12          3HD1      LEU  12   0.337  -3.194  -2.712
   85   HD21  LEU  12          1HD2      LEU  12   0.944   0.434  -1.881
   86   HD22  LEU  12          2HD2      LEU  12   0.773  -0.660  -3.250
   87   HD23  LEU  12          3HD2      LEU  12   2.166  -0.804  -2.175
   88    H    PHE  13           HN       PHE  13  -3.139   0.788  -1.896
   89    HA   PHE  13           HA       PHE  13  -2.035   2.680  -3.856
   90    HB2  PHE  13          2HB       PHE  13  -4.463   3.064  -2.066
   91    HB3  PHE  13          1HB       PHE  13  -4.003   4.010  -3.473
   92    HD1  PHE  13          1HD       PHE  13  -4.253   3.007  -5.759
   93    HD2  PHE  13          2HD       PHE  13  -5.824   1.140  -2.268
   94    HE1  PHE  13          1HE       PHE  13  -5.744   1.631  -7.156
   95    HE2  PHE  13          2HE       PHE  13  -7.307  -0.228  -3.654
   96    HZ   PHE  13           HZ       PHE  13  -7.271   0.010  -6.106
   97    H    CYS  14           HN       CYS  14  -0.985   4.500  -2.850
   98    HA   CYS  14           HA       CYS  14  -0.711   4.085   0.016
   99    HB2  CYS  14          2HB       CYS  14   1.478   4.923  -1.865
  100    HB3  CYS  14          1HB       CYS  14   1.617   4.871  -0.112
  101    H    ILE  15           HN       ILE  15  -0.654   5.633   1.393
  102    HA   ILE  15           HA       ILE  15  -1.058   8.323   0.472
  103    HB   ILE  15           HB       ILE  15  -3.279   7.682   0.801
  104   HG12  ILE  15          2HG1      ILE  15  -2.365   8.957   3.389
  105   HG13  ILE  15          1HG1      ILE  15  -2.768   9.792   1.899
  106   HG21  ILE  15          1HG2      ILE  15  -4.161   6.482   2.782
  107   HG22  ILE  15          2HG2      ILE  15  -2.496   6.232   3.318
  108   HG23  ILE  15          3HG2      ILE  15  -3.045   5.533   1.801
  109   HD11  ILE  15          1HD1      ILE  15  -4.555   9.988   3.523
  110   HD12  ILE  15          2HD1      ILE  15  -4.660   8.229   3.628
  111   HD13  ILE  15          3HD1      ILE  15  -5.078   9.047   2.124
  112    H    GLU  16           HN       GLU  16   0.602   9.233   1.200
  113    HA   GLU  16           HA       GLU  16   2.153  10.172   2.501
  114    HB2  GLU  16          2HB       GLU  16   0.223   9.302   4.560
  115    HB3  GLU  16          1HB       GLU  16   1.621  10.344   4.905
  116    HG2  GLU  16          2HG       GLU  16  -0.707  10.952   3.075
  117    HG3  GLU  16          1HG       GLU  16  -0.414  11.681   4.654
  118    H    GLY  17           HN       GLY  17   2.264   7.329   1.862
  119    HA2  GLY  17          2HA       GLY  17   4.231   6.002   2.116
  120    HA3  GLY  17          1HA       GLY  17   4.400   6.629   3.752
  121    H    ILE  18           HN       ILE  18   1.370   6.187   3.873
  122    HA   ILE  18           HA       ILE  18   1.597   3.507   4.956
  123    HB   ILE  18           HB       ILE  18  -0.594   5.600   5.204
  124   HG12  ILE  18          2HG1      ILE  18   1.570   4.823   7.179
  125   HG13  ILE  18          1HG1      ILE  18   1.529   6.307   6.243
  126   HG21  ILE  18          1HG2      ILE  18  -0.175   3.023   6.721
  127   HG22  ILE  18          2HG2      ILE  18  -1.427   3.322   5.517
  128   HG23  ILE  18          3HG2      ILE  18  -1.440   4.208   7.045
  129   HD11  ILE  18          1HD1      ILE  18  -0.485   7.006   7.424
  130   HD12  ILE  18          2HD1      ILE  18   0.827   6.661   8.550
  131   HD13  ILE  18          3HD1      ILE  18  -0.479   5.496   8.335
  132    H    CYS  19           HN       CYS  19   0.531   1.856   3.945
  133    HA   CYS  19           HA       CYS  19  -0.672   2.545   1.374
  134    HB2  CYS  19          2HB       CYS  19  -0.224  -0.188   2.373
  135    HB3  CYS  19          1HB       CYS  19  -0.203   0.415   0.718
  136    H    VAL  20           HN       VAL  20  -2.678   1.878   0.808
  137    HA   VAL  20           HA       VAL  20  -4.212   0.368   2.755
  138    HB   VAL  20           HB       VAL  20  -6.293   1.395   1.753
  139   HG11  VAL  20          1HG1      VAL  20  -6.091   3.587   2.852
  140   HG12  VAL  20          2HG1      VAL  20  -4.346   3.348   2.968
  141   HG13  VAL  20          3HG1      VAL  20  -5.446   2.272   3.831
  142   HG21  VAL  20          1HG2      VAL  20  -5.376   2.092  -0.398
  143   HG22  VAL  20          2HG2      VAL  20  -4.358   3.289   0.407
  144   HG23  VAL  20          3HG2      VAL  20  -6.116   3.454   0.441
  145    HA   PRO  21           HA       PRO  21  -3.729  -2.600  -0.492
  146    HB2  PRO  21          2HB       PRO  21  -5.334  -4.542   0.539
  147    HB3  PRO  21          1HB       PRO  21  -3.699  -4.220   1.126
  148    HG2  PRO  21          2HG       PRO  21  -6.324  -3.345   2.259
  149    HG3  PRO  21          1HG       PRO  21  -4.885  -3.947   3.101
  150    HD2  PRO  21          2HD       PRO  21  -5.492  -1.321   2.971
  151    HD3  PRO  21          1HD       PRO  21  -3.818  -1.907   3.005
  152    H    MET  22           HN       MET  22  -4.964  -3.806  -2.025
  153    HA   MET  22           HA       MET  22  -6.872  -2.446  -3.399
  154    HB2  MET  22          2HB       MET  22  -5.399  -4.398  -4.124
  155    HB3  MET  22          1HB       MET  22  -6.608  -5.396  -3.324
  156    HG2  MET  22          2HG       MET  22  -7.455  -3.574  -5.526
  157    HG3  MET  22          1HG       MET  22  -6.686  -5.104  -5.910
  158    HE1  MET  22          1HE       MET  22  -7.795  -7.049  -3.628
  159    HE2  MET  22          2HE       MET  22  -7.729  -7.472  -5.337
  160    HE3  MET  22          3HE       MET  22  -9.224  -7.696  -4.431
  161    H    ILE  23           HN       ILE  23  -8.977  -2.629  -3.579
  162    HA   ILE  23           HA       ILE  23 -10.424  -3.645  -1.214
  163    HB   ILE  23           HB       ILE  23 -11.337  -1.423  -3.075
  164   HG12  ILE  23          2HG1      ILE  23 -10.153  -1.201  -0.298
  165   HG13  ILE  23          1HG1      ILE  23  -9.300  -0.794  -1.783
  166   HG21  ILE  23          1HG2      ILE  23 -13.152  -2.602  -1.950
  167   HG22  ILE  23          2HG2      ILE  23 -12.974  -0.970  -1.298
  168   HG23  ILE  23          3HG2      ILE  23 -12.365  -2.353  -0.391
  169   HD11  ILE  23          1HD1      ILE  23 -10.946   0.968  -2.219
  170   HD12  ILE  23          2HD1      ILE  23 -10.119   1.194  -0.681
  171   HD13  ILE  23          3HD1      ILE  23 -11.766   0.563  -0.710
  172    HN1  NH2  24           HN1      NH2  24 -11.025  -5.593  -1.877
  173    HN2  NH2  24           HN2      NH2  24 -11.932  -5.960  -3.301
  Start of MODEL   17
    1    H1   ALA   1          1HT       ALA   1   6.940   7.978  -1.853
    2    H2   ALA   1          2HT       ALA   1   7.687   7.352  -0.463
    3    H3   ALA   1          3HT       ALA   1   6.012   7.393  -0.574
    4    HA   ALA   1           HA       ALA   1   6.023   5.805  -2.319
    5    HB1  ALA   1          1HB       ALA   1   9.015   5.790  -1.917
    6    HB2  ALA   1          2HB       ALA   1   8.169   6.433  -3.325
    7    HB3  ALA   1          3HB       ALA   1   8.103   4.708  -2.968
    8    H    CYS   2           HN       CYS   2   5.996   3.559  -1.794
    9    HA   CYS   2           HA       CYS   2   5.819   3.052   1.004
   10    HB2  CYS   2          2HB       CYS   2   5.941   1.002  -1.180
   11    HB3  CYS   2          1HB       CYS   2   5.118   0.878   0.362
   12    H    LYS   3           HN       LYS   3   7.497   2.489   2.248
   13    HA   LYS   3           HA       LYS   3  10.042   1.902   0.982
   14    HB2  LYS   3          2HB       LYS   3   9.348   2.069   3.923
   15    HB3  LYS   3          1HB       LYS   3  10.973   1.910   3.269
   16    HG2  LYS   3          2HG       LYS   3  10.699   4.074   2.139
   17    HG3  LYS   3          1HG       LYS   3   9.106   4.225   2.863
   18    HD2  LYS   3          2HD       LYS   3  11.731   4.084   4.373
   19    HD3  LYS   3          1HD       LYS   3  10.811   5.545   4.059
   20    HE2  LYS   3          2HE       LYS   3  10.236   5.023   6.255
   21    HE3  LYS   3          1HE       LYS   3   8.901   4.353   5.332
   22    HZ1  LYS   3          1HZ       LYS   3  11.214   2.806   6.378
   23    HZ2  LYS   3          2HZ       LYS   3   9.887   2.090   5.636
   24    HZ3  LYS   3          3HZ       LYS   3   9.718   2.880   7.097
   25    H    GLU   4           HN       GLU   4   7.986   0.378   3.399
   26    HA   GLU   4           HA       GLU   4   9.032  -2.216   2.570
   27    HB2  GLU   4          2HB       GLU   4   7.447  -1.409   4.964
   28    HB3  GLU   4          1HB       GLU   4   7.832  -3.061   4.517
   29    HG2  GLU   4          2HG       GLU   4   9.306  -2.234   6.346
   30    HG3  GLU   4          1HG       GLU   4  10.198  -2.690   4.905
   31    H    TYR   5           HN       TYR   5   7.919  -2.407   0.886
   32    HA   TYR   5           HA       TYR   5   5.049  -1.952   0.670
   33    HB2  TYR   5          2HB       TYR   5   6.649  -1.602  -1.211
   34    HB3  TYR   5          1HB       TYR   5   6.879  -3.328  -1.282
   35    HD1  TYR   5          1HD       TYR   5   5.582  -4.613  -2.719
   36    HD2  TYR   5          2HD       TYR   5   4.140  -0.790  -1.517
   37    HE1  TYR   5          1HE       TYR   5   3.725  -4.821  -4.292
   38    HE2  TYR   5          2HE       TYR   5   2.281  -0.990  -3.079
   39    HH   TYR   5           HH       TYR   5   1.744  -2.163  -5.115
   40    H    TRP   6           HN       TRP   6   7.223  -4.573   0.785
   41    HA   TRP   6           HA       TRP   6   5.611  -6.791   0.487
   42    HB2  TRP   6          2HB       TRP   6   7.251  -8.041   1.862
   43    HB3  TRP   6          1HB       TRP   6   8.004  -7.055   0.616
   44    HD1  TRP   6          1HD       TRP   6   9.431  -4.929   1.458
   45    HE1  TRP   6          1HE       TRP   6  10.517  -4.385   3.736
   46    HE3  TRP   6          3HE       TRP   6   6.999  -8.344   4.382
   47    HZ2  TRP   6          2HZ       TRP   6  10.367  -5.275   6.388
   48    HZ3  TRP   6          3HZ       TRP   6   7.538  -8.432   6.777
   49    HH2  TRP   6          2HH       TRP   6   9.190  -6.923   7.753
   50    H    GLU   7           HN       GLU   7   5.923  -4.787   3.358
   51    HA   GLU   7           HA       GLU   7   4.589  -6.609   5.102
   52    HB2  GLU   7          2HB       GLU   7   6.118  -4.887   5.982
   53    HB3  GLU   7          1HB       GLU   7   5.021  -3.630   5.421
   54    HG2  GLU   7          2HG       GLU   7   3.285  -4.503   6.928
   55    HG3  GLU   7          1HG       GLU   7   4.425  -5.704   7.517
   56    H    CYS   8           HN       CYS   8   3.608  -4.105   3.006
   57    HA   CYS   8           HA       CYS   8   0.915  -4.050   3.969
   58    HB2  CYS   8          2HB       CYS   8   2.237  -2.820   1.545
   59    HB3  CYS   8          1HB       CYS   8   0.596  -2.473   2.069
   60    H    GLY   9           HN       GLY   9   2.716  -5.290   1.249
   61    HA2  GLY   9          2HA       GLY   9   2.166  -7.558   0.572
   62    HA3  GLY   9          1HA       GLY   9   0.473  -7.107   0.753
   63    H    ALA  10           HN       ALA  10   1.485  -8.184  -1.554
   64    HA   ALA  10           HA       ALA  10   2.209  -6.231  -3.456
   65    HB1  ALA  10          1HB       ALA  10   1.775  -7.967  -5.105
   66    HB2  ALA  10          2HB       ALA  10   0.958  -8.933  -3.878
   67    HB3  ALA  10          3HB       ALA  10   2.688  -8.619  -3.742
   68    H    PHE  11           HN       PHE  11   1.010  -4.796  -4.429
   69    HA   PHE  11           HA       PHE  11  -0.591  -3.759  -5.436
   70    HB2  PHE  11          2HB       PHE  11  -2.224  -6.267  -5.074
   71    HB3  PHE  11          1HB       PHE  11  -2.907  -4.808  -5.787
   72    HD1  PHE  11          1HD       PHE  11  -0.418  -7.488  -6.221
   73    HD2  PHE  11          2HD       PHE  11  -2.317  -4.117  -7.993
   74    HE1  PHE  11          1HE       PHE  11   0.522  -8.107  -8.407
   75    HE2  PHE  11          2HE       PHE  11  -1.384  -4.734 -10.176
   76    HZ   PHE  11           HZ       PHE  11   0.039  -6.732 -10.387
   77    H    LEU  12           HN       LEU  12  -0.299  -4.123  -2.346
   78    HA   LEU  12           HA       LEU  12  -2.702  -2.588  -1.794
   79    HB2  LEU  12          2HB       LEU  12  -1.848  -4.390  -0.148
   80    HB3  LEU  12          1HB       LEU  12  -0.530  -3.287   0.203
   81    HG   LEU  12           HG       LEU  12  -2.165  -1.592   0.973
   82   HD11  LEU  12          1HD1      LEU  12  -4.477  -2.285   1.355
   83   HD12  LEU  12          2HD1      LEU  12  -4.162  -3.784   0.481
   84   HD13  LEU  12          3HD1      LEU  12  -4.062  -2.233  -0.353
   85   HD21  LEU  12          1HD2      LEU  12  -1.176  -3.116   2.627
   86   HD22  LEU  12          2HD2      LEU  12  -2.462  -4.275   2.312
   87   HD23  LEU  12          3HD2      LEU  12  -2.844  -2.713   3.033
   88    H    PHE  13           HN       PHE  13  -2.506  -0.639  -2.467
   89    HA   PHE  13           HA       PHE  13   0.074   0.540  -2.950
   90    HB2  PHE  13          2HB       PHE  13  -1.674   0.579  -4.659
   91    HB3  PHE  13          1HB       PHE  13  -2.740   1.454  -3.580
   92    HD1  PHE  13          1HD       PHE  13  -2.964   3.701  -3.974
   93    HD2  PHE  13          2HD       PHE  13   0.697   1.796  -5.021
   94    HE1  PHE  13          1HE       PHE  13  -2.136   5.816  -4.911
   95    HE2  PHE  13          2HE       PHE  13   1.529   3.910  -5.958
   96    HZ   PHE  13           HZ       PHE  13   0.111   5.922  -5.906
   97    H    CYS  14           HN       CYS  14   0.666   2.644  -2.233
   98    HA   CYS  14           HA       CYS  14  -0.396   3.268   0.410
   99    HB2  CYS  14          2HB       CYS  14   2.073   4.323  -0.937
  100    HB3  CYS  14          1HB       CYS  14   1.628   4.528   0.743
  101    H    ILE  15           HN       ILE  15  -1.495   4.988   0.691
  102    HA   ILE  15           HA       ILE  15  -1.598   7.041  -1.363
  103    HB   ILE  15           HB       ILE  15  -3.926   6.088   0.327
  104   HG12  ILE  15          2HG1      ILE  15  -3.433   5.641  -2.634
  105   HG13  ILE  15          1HG1      ILE  15  -3.352   4.402  -1.389
  106   HG21  ILE  15          1HG2      ILE  15  -5.270   7.568  -1.105
  107   HG22  ILE  15          2HG2      ILE  15  -3.808   8.059  -1.959
  108   HG23  ILE  15          3HG2      ILE  15  -4.007   8.461  -0.254
  109   HD11  ILE  15          1HD1      ILE  15  -5.755   4.711  -0.960
  110   HD12  ILE  15          2HD1      ILE  15  -5.427   4.255  -2.632
  111   HD13  ILE  15          3HD1      ILE  15  -5.809   5.930  -2.232
  112    H    GLU  16           HN       GLU  16  -0.660   8.626  -0.457
  113    HA   GLU  16           HA       GLU  16  -0.017  10.279   0.865
  114    HB2  GLU  16          2HB       GLU  16  -2.534  10.345   1.273
  115    HB3  GLU  16          1HB       GLU  16  -2.182   9.470   2.760
  116    HG2  GLU  16          2HG       GLU  16  -0.664  11.241   3.390
  117    HG3  GLU  16          1HG       GLU  16  -1.160  12.112   1.937
  118    H    GLY  17           HN       GLY  17   0.775   7.478   1.173
  119    HA2  GLY  17          2HA       GLY  17   2.797   6.868   2.336
  120    HA3  GLY  17          1HA       GLY  17   2.238   7.827   3.698
  121    H    ILE  18           HN       ILE  18  -0.481   6.512   3.212
  122    HA   ILE  18           HA       ILE  18   0.071   4.242   4.990
  123    HB   ILE  18           HB       ILE  18  -2.562   5.576   4.259
  124   HG12  ILE  18          2HG1      ILE  18  -1.145   7.136   5.478
  125   HG13  ILE  18          1HG1      ILE  18  -2.476   6.608   6.501
  126   HG21  ILE  18          1HG2      ILE  18  -3.518   4.400   6.181
  127   HG22  ILE  18          2HG2      ILE  18  -1.974   3.601   6.460
  128   HG23  ILE  18          3HG2      ILE  18  -2.883   3.268   4.985
  129   HD11  ILE  18          1HD1      ILE  18  -0.409   6.737   7.752
  130   HD12  ILE  18          2HD1      ILE  18   0.369   5.632   6.625
  131   HD13  ILE  18          3HD1      ILE  18  -0.956   5.064   7.643
  132    H    CYS  19           HN       CYS  19  -0.420   2.120   4.356
  133    HA   CYS  19           HA       CYS  19  -0.974   1.728   1.553
  134    HB2  CYS  19          2HB       CYS  19  -0.643  -0.300   3.798
  135    HB3  CYS  19          1HB       CYS  19  -0.663  -0.655   2.076
  136    H    VAL  20           HN       VAL  20  -2.966   1.866   0.874
  137    HA   VAL  20           HA       VAL  20  -5.151   1.351   2.768
  138    HB   VAL  20           HB       VAL  20  -5.082   3.272   0.424
  139   HG11  VAL  20          1HG1      VAL  20  -7.260   4.070   1.225
  140   HG12  VAL  20          2HG1      VAL  20  -7.264   2.806   2.453
  141   HG13  VAL  20          3HG1      VAL  20  -7.324   2.372   0.746
  142   HG21  VAL  20          1HG2      VAL  20  -3.749   4.086   2.287
  143   HG22  VAL  20          2HG2      VAL  20  -5.098   3.824   3.391
  144   HG23  VAL  20          3HG2      VAL  20  -5.222   5.045   2.127
  145    HA   PRO  21           HA       PRO  21  -6.305  -1.720  -0.283
  146    HB2  PRO  21          2HB       PRO  21  -8.427  -2.730   1.052
  147    HB3  PRO  21          1HB       PRO  21  -6.767  -3.121   1.502
  148    HG2  PRO  21          2HG       PRO  21  -8.655  -1.178   2.759
  149    HG3  PRO  21          1HG       PRO  21  -7.498  -2.273   3.531
  150    HD2  PRO  21          2HD       PRO  21  -7.052   0.403   3.126
  151    HD3  PRO  21          1HD       PRO  21  -5.761  -0.805   3.275
  152    H    MET  22           HN       MET  22  -7.611  -1.462  -2.067
  153    HA   MET  22           HA       MET  22  -9.266   0.702  -2.259
  154    HB2  MET  22          2HB       MET  22  -9.529  -0.021  -4.480
  155    HB3  MET  22          1HB       MET  22  -7.890  -0.388  -4.031
  156    HG2  MET  22          2HG       MET  22  -8.498  -2.279  -5.215
  157    HG3  MET  22          1HG       MET  22  -8.802  -2.771  -3.551
  158    HE1  MET  22          1HE       MET  22 -10.383  -4.710  -4.151
  159    HE2  MET  22          2HE       MET  22 -10.030  -4.425  -5.859
  160    HE3  MET  22          3HE       MET  22 -11.706  -4.604  -5.313
  161    H    ILE  23           HN       ILE  23 -11.588   0.530  -2.851
  162    HA   ILE  23           HA       ILE  23 -12.930  -1.191  -0.932
  163    HB   ILE  23           HB       ILE  23 -14.114   0.993  -2.683
  164   HG12  ILE  23          2HG1      ILE  23 -13.287   1.099   0.235
  165   HG13  ILE  23          1HG1      ILE  23 -12.390   1.826  -1.091
  166   HG21  ILE  23          1HG2      ILE  23 -15.238  -0.425  -0.252
  167   HG22  ILE  23          2HG2      ILE  23 -15.784  -0.634  -1.915
  168   HG23  ILE  23          3HG2      ILE  23 -16.008   0.915  -1.102
  169   HD11  ILE  23          1HD1      ILE  23 -13.689   3.488   0.097
  170   HD12  ILE  23          2HD1      ILE  23 -15.168   2.574  -0.200
  171   HD13  ILE  23          3HD1      ILE  23 -14.294   3.302  -1.549
  172    HN1  NH2  24           HN1      NH2  24 -13.142  -3.187  -1.718
  173    HN2  NH2  24           HN2      NH2  24 -13.865  -3.596  -3.238
  Start of MODEL   18
    1    H1   ALA   1          1HT       ALA   1   3.747   6.024  -2.876
    2    H2   ALA   1          2HT       ALA   1   2.280   5.543  -2.208
    3    H3   ALA   1          3HT       ALA   1   2.422   5.671  -3.877
    4    HA   ALA   1           HA       ALA   1   2.463   3.378  -3.145
    5    HB1  ALA   1          1HB       ALA   1   3.751   3.954  -5.136
    6    HB2  ALA   1          2HB       ALA   1   4.591   2.713  -4.203
    7    HB3  ALA   1          3HB       ALA   1   5.132   4.389  -4.133
    8    H    CYS   2           HN       CYS   2   3.998   1.699  -2.117
    9    HA   CYS   2           HA       CYS   2   4.614   2.607   0.526
   10    HB2  CYS   2          2HB       CYS   2   4.650  -0.047  -0.841
   11    HB3  CYS   2          1HB       CYS   2   5.625   0.153   0.593
   12    H    LYS   3           HN       LYS   3   6.562   2.617   1.491
   13    HA   LYS   3           HA       LYS   3   8.896   2.934  -0.237
   14    HB2  LYS   3          2HB       LYS   3   8.478   3.343   2.730
   15    HB3  LYS   3          1HB       LYS   3  10.000   3.614   1.906
   16    HG2  LYS   3          2HG       LYS   3   8.933   5.386   0.573
   17    HG3  LYS   3          1HG       LYS   3   7.431   5.124   1.469
   18    HD2  LYS   3          2HD       LYS   3   8.480   5.724   3.527
   19    HD3  LYS   3          1HD       LYS   3  10.060   5.795   2.758
   20    HE2  LYS   3          2HE       LYS   3   9.205   7.670   1.347
   21    HE3  LYS   3          1HE       LYS   3   7.712   7.627   2.287
   22    HZ1  LYS   3          1HZ       LYS   3   9.002   8.105   4.276
   23    HZ2  LYS   3          2HZ       LYS   3   9.241   9.312   3.137
   24    HZ3  LYS   3          3HZ       LYS   3  10.418   8.126   3.375
   25    H    GLU   4           HN       GLU   4   7.599   1.139   2.429
   26    HA   GLU   4           HA       GLU   4   9.614  -0.952   2.157
   27    HB2  GLU   4          2HB       GLU   4   7.606  -0.408   4.329
   28    HB3  GLU   4          1HB       GLU   4   8.877  -1.617   4.371
   29    HG2  GLU   4          2HG       GLU   4  10.582   0.101   4.391
   30    HG3  GLU   4          1HG       GLU   4   9.351   1.354   4.252
   31    H    TYR   5           HN       TYR   5   8.894  -2.520   0.957
   32    HA   TYR   5           HA       TYR   5   6.395  -2.803  -0.220
   33    HB2  TYR   5          2HB       TYR   5   8.493  -3.906  -0.987
   34    HB3  TYR   5          1HB       TYR   5   8.367  -5.011   0.365
   35    HD1  TYR   5          1HD       TYR   5   6.745  -6.821   0.375
   36    HD2  TYR   5          2HD       TYR   5   6.938  -4.082  -2.873
   37    HE1  TYR   5          1HE       TYR   5   5.328  -8.301  -0.943
   38    HE2  TYR   5          2HE       TYR   5   5.530  -5.560  -4.201
   39    HH   TYR   5           HH       TYR   5   4.878  -7.912  -4.282
   40    H    TRP   6           HN       TRP   6   7.719  -4.451   2.471
   41    HA   TRP   6           HA       TRP   6   5.650  -6.264   3.016
   42    HB2  TRP   6          2HB       TRP   6   6.836  -6.580   5.196
   43    HB3  TRP   6          1HB       TRP   6   7.802  -6.729   3.726
   44    HD1  TRP   6          1HD       TRP   6   7.484  -4.574   6.865
   45    HE1  TRP   6          1HE       TRP   6   9.523  -3.002   6.983
   46    HE3  TRP   6          3HE       TRP   6   9.517  -5.501   2.263
   47    HZ2  TRP   6          2HZ       TRP   6  11.700  -2.260   5.337
   48    HZ3  TRP   6          3HZ       TRP   6  11.560  -4.320   1.620
   49    HH2  TRP   6          2HH       TRP   6  12.625  -2.739   3.128
   50    H    GLU   7           HN       GLU   7   5.673  -3.015   3.574
   51    HA   GLU   7           HA       GLU   7   4.272  -2.837   6.043
   52    HB2  GLU   7          2HB       GLU   7   5.422  -0.908   4.987
   53    HB3  GLU   7          1HB       GLU   7   4.198  -0.900   3.728
   54    HG2  GLU   7          2HG       GLU   7   3.681   0.822   5.289
   55    HG3  GLU   7          1HG       GLU   7   2.492  -0.464   5.477
   56    H    CYS   8           HN       CYS   8   3.060  -2.551   2.790
   57    HA   CYS   8           HA       CYS   8   0.429  -3.356   3.775
   58    HB2  CYS   8          2HB       CYS   8   1.168  -1.595   1.465
   59    HB3  CYS   8          1HB       CYS   8  -0.454  -2.053   1.949
   60    H    GLY   9           HN       GLY   9   2.953  -3.996   1.465
   61    HA2  GLY   9          2HA       GLY   9   3.185  -5.798   0.049
   62    HA3  GLY   9          1HA       GLY   9   1.534  -6.282   0.433
   63    H    ALA  10           HN       ALA  10   2.757  -6.112  -2.226
   64    HA   ALA  10           HA       ALA  10   1.559  -3.747  -3.358
   65    HB1  ALA  10          1HB       ALA  10   2.460  -4.521  -5.491
   66    HB2  ALA  10          2HB       ALA  10   2.997  -6.018  -4.720
   67    HB3  ALA  10          3HB       ALA  10   3.696  -4.471  -4.238
   68    H    PHE  11           HN       PHE  11  -0.477  -3.902  -3.104
   69    HA   PHE  11           HA       PHE  11  -2.120  -5.209  -4.962
   70    HB2  PHE  11          2HB       PHE  11  -1.799  -7.173  -3.429
   71    HB3  PHE  11          1HB       PHE  11  -2.318  -6.180  -2.076
   72    HD1  PHE  11          1HD       PHE  11  -3.504  -7.458  -5.370
   73    HD2  PHE  11          2HD       PHE  11  -4.551  -6.198  -1.438
   74    HE1  PHE  11          1HE       PHE  11  -5.830  -8.157  -5.761
   75    HE2  PHE  11          2HE       PHE  11  -6.868  -6.893  -1.829
   76    HZ   PHE  11           HZ       PHE  11  -7.514  -7.877  -3.991
   77    H    LEU  12           HN       LEU  12  -1.817  -3.933  -1.719
   78    HA   LEU  12           HA       LEU  12  -3.997  -2.061  -2.114
   79    HB2  LEU  12          2HB       LEU  12  -1.956  -2.280   0.132
   80    HB3  LEU  12          1HB       LEU  12  -3.272  -1.141   0.097
   81    HG   LEU  12           HG       LEU  12  -3.854  -2.773   1.641
   82   HD11  LEU  12          1HD1      LEU  12  -5.858  -3.834   0.746
   83   HD12  LEU  12          2HD1      LEU  12  -5.320  -3.452  -0.888
   84   HD13  LEU  12          3HD1      LEU  12  -5.698  -2.151   0.241
   85   HD21  LEU  12          1HD2      LEU  12  -3.898  -5.202   1.179
   86   HD22  LEU  12          2HD2      LEU  12  -2.277  -4.516   1.085
   87   HD23  LEU  12          3HD2      LEU  12  -3.159  -4.891  -0.394
   88    H    PHE  13           HN       PHE  13  -3.490   0.246  -1.919
   89    HA   PHE  13           HA       PHE  13  -0.871   0.835  -3.052
   90    HB2  PHE  13          2HB       PHE  13  -3.359   2.566  -2.855
   91    HB3  PHE  13          1HB       PHE  13  -1.815   3.123  -3.479
   92    HD1  PHE  13          1HD       PHE  13  -0.813   1.640  -5.394
   93    HD2  PHE  13          2HD       PHE  13  -4.929   1.792  -4.319
   94    HE1  PHE  13          1HE       PHE  13  -1.422   0.849  -7.634
   95    HE2  PHE  13          2HE       PHE  13  -5.541   1.002  -6.546
   96    HZ   PHE  13           HZ       PHE  13  -3.785   0.522  -8.215
   97    H    CYS  14           HN       CYS  14   0.026   3.024  -2.074
   98    HA   CYS  14           HA       CYS  14  -0.505   2.900   0.800
   99    HB2  CYS  14          2HB       CYS  14   2.298   2.980  -0.191
  100    HB3  CYS  14          1HB       CYS  14   1.699   2.660   1.424
  101    H    ILE  15           HN       ILE  15  -0.799   4.829   1.446
  102    HA   ILE  15           HA       ILE  15   0.478   6.963  -0.016
  103    HB   ILE  15           HB       ILE  15  -1.872   7.334   0.031
  104   HG12  ILE  15          2HG1      ILE  15  -0.497   9.184   1.980
  105   HG13  ILE  15          1HG1      ILE  15  -0.485   9.312   0.230
  106   HG21  ILE  15          1HG2      ILE  15  -1.809   7.211   3.042
  107   HG22  ILE  15          2HG2      ILE  15  -2.483   5.967   1.988
  108   HG23  ILE  15          3HG2      ILE  15  -3.229   7.567   2.059
  109   HD11  ILE  15          1HD1      ILE  15  -2.878   9.758   0.246
  110   HD12  ILE  15          2HD1      ILE  15  -1.991  10.919   1.238
  111   HD13  ILE  15          3HD1      ILE  15  -2.894   9.612   2.003
  112    H    GLU  16           HN       GLU  16   2.290   6.954   0.662
  113    HA   GLU  16           HA       GLU  16   4.170   7.290   1.831
  114    HB2  GLU  16          2HB       GLU  16   2.297   8.622   3.660
  115    HB3  GLU  16          1HB       GLU  16   4.052   8.935   3.616
  116    HG2  GLU  16          2HG       GLU  16   1.882   9.758   1.690
  117    HG3  GLU  16          1HG       GLU  16   3.134  10.757   2.426
  118    H    GLY  17           HN       GLY  17   2.563   4.967   2.427
  119    HA2  GLY  17          2HA       GLY  17   3.573   3.172   3.765
  120    HA3  GLY  17          1HA       GLY  17   3.708   4.339   5.074
  121    H    ILE  18           HN       ILE  18   0.897   5.279   4.157
  122    HA   ILE  18           HA       ILE  18  -0.532   3.383   5.848
  123    HB   ILE  18           HB       ILE  18  -1.503   5.887   4.430
  124   HG12  ILE  18          2HG1      ILE  18   0.156   6.460   6.112
  125   HG13  ILE  18          1HG1      ILE  18  -1.435   6.970   6.657
  126   HG21  ILE  18          1HG2      ILE  18  -3.466   5.805   5.896
  127   HG22  ILE  18          2HG2      ILE  18  -2.897   4.273   6.557
  128   HG23  ILE  18          3HG2      ILE  18  -3.357   4.381   4.859
  129   HD11  ILE  18          1HD1      ILE  18  -0.161   6.027   8.485
  130   HD12  ILE  18          2HD1      ILE  18   0.082   4.535   7.585
  131   HD13  ILE  18          3HD1      ILE  18  -1.537   4.986   8.117
  132    H    CYS  19           HN       CYS  19  -1.994   1.859   5.057
  133    HA   CYS  19           HA       CYS  19  -1.724   1.309   2.249
  134    HB2  CYS  19          2HB       CYS  19  -3.470  -0.302   4.120
  135    HB3  CYS  19          1HB       CYS  19  -2.597  -0.783   2.699
  136    H    VAL  20           HN       VAL  20  -3.166   1.674   0.751
  137    HA   VAL  20           HA       VAL  20  -5.698   2.947   1.462
  138    HB   VAL  20           HB       VAL  20  -4.328   2.702  -1.226
  139   HG11  VAL  20          1HG1      VAL  20  -5.876   4.468  -1.976
  140   HG12  VAL  20          2HG1      VAL  20  -6.670   4.418  -0.402
  141   HG13  VAL  20          3HG1      VAL  20  -6.726   3.009  -1.462
  142   HG21  VAL  20          1HG2      VAL  20  -4.390   5.055   0.660
  143   HG22  VAL  20          2HG2      VAL  20  -3.730   5.082  -0.975
  144   HG23  VAL  20          3HG2      VAL  20  -2.984   4.068   0.260
  145    HA   PRO  21           HA       PRO  21  -7.611  -1.041   0.868
  146    HB2  PRO  21          2HB       PRO  21 -10.013   0.591   0.296
  147    HB3  PRO  21          1HB       PRO  21  -9.777  -0.698   1.479
  148    HG2  PRO  21          2HG       PRO  21  -9.887   1.858   2.235
  149    HG3  PRO  21          1HG       PRO  21  -8.795   0.707   3.021
  150    HD2  PRO  21          2HD       PRO  21  -8.186   2.848   1.046
  151    HD3  PRO  21          1HD       PRO  21  -7.244   2.257   2.435
  152    H    MET  22           HN       MET  22  -7.824  -2.318  -0.796
  153    HA   MET  22           HA       MET  22  -7.859  -1.342  -3.423
  154    HB2  MET  22          2HB       MET  22  -6.469  -3.140  -3.106
  155    HB3  MET  22          1HB       MET  22  -7.669  -4.058  -2.177
  156    HG2  MET  22          2HG       MET  22  -7.261  -5.094  -4.327
  157    HG3  MET  22          1HG       MET  22  -8.891  -4.434  -4.291
  158    HE1  MET  22          1HE       MET  22  -7.799  -4.045  -8.040
  159    HE2  MET  22          2HE       MET  22  -9.002  -4.719  -6.940
  160    HE3  MET  22          3HE       MET  22  -7.358  -5.355  -6.944
  161    H    ILE  23           HN       ILE  23  -9.435  -1.761  -4.840
  162    HA   ILE  23           HA       ILE  23 -12.048  -2.561  -3.739
  163    HB   ILE  23           HB       ILE  23 -11.675  -0.363  -5.813
  164   HG12  ILE  23          2HG1      ILE  23 -12.496  -0.140  -2.899
  165   HG13  ILE  23          1HG1      ILE  23 -10.913   0.288  -3.528
  166   HG21  ILE  23          1HG2      ILE  23 -14.148  -1.359  -4.383
  167   HG22  ILE  23          2HG2      ILE  23 -13.779  -1.577  -6.093
  168   HG23  ILE  23          3HG2      ILE  23 -14.086   0.039  -5.454
  169   HD11  ILE  23          1HD1      ILE  23 -11.939   2.048  -4.880
  170   HD12  ILE  23          2HD1      ILE  23 -12.296   2.252  -3.164
  171   HD13  ILE  23          3HD1      ILE  23 -13.523   1.598  -4.249
  172    HN1  NH2  24           HN1      NH2  24 -11.890  -4.604  -4.464
  173    HN2  NH2  24           HN2      NH2  24 -11.874  -5.040  -6.135
  Start of MODEL   19
    1    H1   ALA   1          1HT       ALA   1   4.754   7.237  -1.552
    2    H2   ALA   1          2HT       ALA   1   3.806   6.301  -2.576
    3    H3   ALA   1          3HT       ALA   1   5.192   7.083  -3.193
    4    HA   ALA   1           HA       ALA   1   5.555   4.734  -2.857
    5    HB1  ALA   1          1HB       ALA   1   7.515   4.891  -1.391
    6    HB2  ALA   1          2HB       ALA   1   6.971   6.471  -0.831
    7    HB3  ALA   1          3HB       ALA   1   7.446   6.248  -2.511
    8    H    CYS   2           HN       CYS   2   5.906   3.062  -1.126
    9    HA   CYS   2           HA       CYS   2   3.790   3.264   0.873
   10    HB2  CYS   2          2HB       CYS   2   5.403   0.865  -0.039
   11    HB3  CYS   2          1HB       CYS   2   3.976   0.839   0.989
   12    H    LYS   3           HN       LYS   3   4.287   2.749   3.098
   13    HA   LYS   3           HA       LYS   3   6.721   3.618   4.110
   14    HB2  LYS   3          2HB       LYS   3   5.994   2.574   6.261
   15    HB3  LYS   3          1HB       LYS   3   4.714   3.505   5.507
   16    HG2  LYS   3          2HG       LYS   3   3.839   1.308   4.589
   17    HG3  LYS   3          1HG       LYS   3   4.987   0.514   5.662
   18    HD2  LYS   3          2HD       LYS   3   2.764   2.386   6.509
   19    HD3  LYS   3          1HD       LYS   3   2.748   0.635   6.656
   20    HE2  LYS   3          2HE       LYS   3   4.620   2.533   8.083
   21    HE3  LYS   3          1HE       LYS   3   3.248   1.696   8.796
   22    HZ1  LYS   3          1HZ       LYS   3   4.448  -0.410   8.096
   23    HZ2  LYS   3          2HZ       LYS   3   5.073   0.442   9.395
   24    HZ3  LYS   3          3HZ       LYS   3   5.814   0.560   7.883
   25    H    GLU   4           HN       GLU   4   5.601   0.395   3.341
   26    HA   GLU   4           HA       GLU   4   8.061  -0.320   2.272
   27    HB2  GLU   4          2HB       GLU   4   8.518  -0.929   4.689
   28    HB3  GLU   4          1HB       GLU   4   7.100  -1.976   4.620
   29    HG2  GLU   4          2HG       GLU   4   9.193  -3.202   4.364
   30    HG3  GLU   4          1HG       GLU   4   8.132  -3.345   2.962
   31    H    TYR   5           HN       TYR   5   7.735  -2.102   0.985
   32    HA   TYR   5           HA       TYR   5   5.020  -2.169   0.021
   33    HB2  TYR   5          2HB       TYR   5   7.003  -2.067  -1.457
   34    HB3  TYR   5          1HB       TYR   5   7.440  -3.673  -0.932
   35    HD1  TYR   5          1HD       TYR   5   4.497  -1.916  -2.460
   36    HD2  TYR   5          2HD       TYR   5   6.841  -5.467  -2.266
   37    HE1  TYR   5          1HE       TYR   5   3.168  -2.893  -4.274
   38    HE2  TYR   5          2HE       TYR   5   5.513  -6.449  -4.063
   39    HH   TYR   5           HH       TYR   5   3.441  -6.235  -5.171
   40    H    TRP   6           HN       TRP   6   7.253  -4.485   1.230
   41    HA   TRP   6           HA       TRP   6   5.499  -6.689   0.738
   42    HB2  TRP   6          2HB       TRP   6   7.163  -8.165   1.795
   43    HB3  TRP   6          1HB       TRP   6   7.814  -7.101   0.557
   44    HD1  TRP   6          1HD       TRP   6   7.645  -7.188   4.438
   45    HE1  TRP   6          1HE       TRP   6   9.844  -6.243   5.341
   46    HE3  TRP   6          3HE       TRP   6   9.857  -5.944   0.007
   47    HZ2  TRP   6          2HZ       TRP   6  12.232  -5.130   4.309
   48    HZ3  TRP   6          3HZ       TRP   6  12.102  -4.953   0.057
   49    HH2  TRP   6          2HH       TRP   6  13.259  -4.556   2.163
   50    H    GLU   7           HN       GLU   7   5.937  -4.753   3.565
   51    HA   GLU   7           HA       GLU   7   4.797  -6.608   5.338
   52    HB2  GLU   7          2HB       GLU   7   4.599  -4.747   6.835
   53    HB3  GLU   7          1HB       GLU   7   6.193  -4.767   6.100
   54    HG2  GLU   7          2HG       GLU   7   5.569  -2.980   4.620
   55    HG3  GLU   7          1HG       GLU   7   3.917  -3.071   5.169
   56    H    CYS   8           HN       CYS   8   3.556  -4.349   3.103
   57    HA   CYS   8           HA       CYS   8   0.932  -4.334   4.236
   58    HB2  CYS   8          2HB       CYS   8   1.988  -3.216   1.639
   59    HB3  CYS   8          1HB       CYS   8   0.405  -2.891   2.340
   60    H    GLY   9           HN       GLY   9   2.627  -5.721   1.503
   61    HA2  GLY   9          2HA       GLY   9   1.796  -8.135   1.294
   62    HA3  GLY   9          1HA       GLY   9   0.265  -7.340   0.940
   63    H    ALA  10           HN       ALA  10   0.100  -8.053  -1.110
   64    HA   ALA  10           HA       ALA  10   2.207  -7.239  -2.972
   65    HB1  ALA  10          1HB       ALA  10   0.040  -9.317  -3.289
   66    HB2  ALA  10          2HB       ALA  10   1.743  -9.636  -2.956
   67    HB3  ALA  10          3HB       ALA  10   1.265  -8.910  -4.492
   68    H    PHE  11           HN       PHE  11   1.789  -5.557  -4.142
   69    HA   PHE  11           HA       PHE  11   0.849  -3.882  -5.211
   70    HB2  PHE  11          2HB       PHE  11  -1.174  -5.983  -5.952
   71    HB3  PHE  11          1HB       PHE  11  -1.145  -4.375  -6.666
   72    HD1  PHE  11          1HD       PHE  11   0.767  -3.692  -8.066
   73    HD2  PHE  11          2HD       PHE  11   0.365  -7.670  -6.609
   74    HE1  PHE  11          1HE       PHE  11   2.403  -4.467  -9.729
   75    HE2  PHE  11          2HE       PHE  11   2.002  -8.446  -8.266
   76    HZ   PHE  11           HZ       PHE  11   3.026  -6.841  -9.828
   77    H    LEU  12           HN       LEU  12   0.544  -2.668  -3.389
   78    HA   LEU  12           HA       LEU  12  -2.286  -2.083  -2.912
   79    HB2  LEU  12          2HB       LEU  12   0.039  -1.841  -0.969
   80    HB3  LEU  12          1HB       LEU  12  -1.492  -1.048  -0.726
   81    HG   LEU  12           HG       LEU  12  -1.416  -2.909   0.705
   82   HD11  LEU  12          1HD1      LEU  12  -3.165  -3.617  -1.624
   83   HD12  LEU  12          2HD1      LEU  12  -3.561  -2.544  -0.284
   84   HD13  LEU  12          3HD1      LEU  12  -3.307  -4.266   0.010
   85   HD21  LEU  12          1HD2      LEU  12   0.340  -4.209  -0.343
   86   HD22  LEU  12          2HD2      LEU  12  -0.739  -4.631  -1.673
   87   HD23  LEU  12          3HD2      LEU  12  -1.073  -5.221  -0.046
   88    H    PHE  13           HN       PHE  13  -2.793  -0.031  -3.465
   89    HA   PHE  13           HA       PHE  13  -0.608   1.597  -4.372
   90    HB2  PHE  13          2HB       PHE  13  -3.604   2.021  -4.500
   91    HB3  PHE  13          1HB       PHE  13  -2.422   3.166  -5.135
   92    HD1  PHE  13          1HD       PHE  13  -4.216   0.087  -5.751
   93    HD2  PHE  13          2HD       PHE  13  -0.911   2.464  -6.996
   94    HE1  PHE  13          1HE       PHE  13  -4.111  -1.171  -7.847
   95    HE2  PHE  13          2HE       PHE  13  -0.802   1.206  -9.103
   96    HZ   PHE  13           HZ       PHE  13  -2.409  -0.620  -9.531
   97    H    CYS  14           HN       CYS  14   0.348   2.995  -3.187
   98    HA   CYS  14           HA       CYS  14  -0.754   3.410  -0.529
   99    HB2  CYS  14          2HB       CYS  14   2.069   3.692  -1.534
  100    HB3  CYS  14          1HB       CYS  14   1.539   3.811   0.145
  101    H    ILE  15           HN       ILE  15  -0.799   5.406   0.452
  102    HA   ILE  15           HA       ILE  15  -0.269   7.747  -1.138
  103    HB   ILE  15           HB       ILE  15  -2.903   7.257   0.323
  104   HG12  ILE  15          2HG1      ILE  15  -2.454   7.489  -2.672
  105   HG13  ILE  15          1HG1      ILE  15  -2.788   5.986  -1.825
  106   HG21  ILE  15          1HG2      ILE  15  -1.951   9.586  -1.345
  107   HG22  ILE  15          2HG2      ILE  15  -2.179   9.571   0.405
  108   HG23  ILE  15          3HG2      ILE  15  -3.570   9.417  -0.669
  109   HD11  ILE  15          1HD1      ILE  15  -4.983   6.838  -1.180
  110   HD12  ILE  15          2HD1      ILE  15  -4.776   6.864  -2.932
  111   HD13  ILE  15          3HD1      ILE  15  -4.637   8.357  -2.003
  112    H    GLU  16           HN       GLU  16   0.924   8.910   0.132
  113    HA   GLU  16           HA       GLU  16   1.835   9.990   1.818
  114    HB2  GLU  16          2HB       GLU  16  -0.623  10.362   2.413
  115    HB3  GLU  16          1HB       GLU  16  -0.408   9.039   3.562
  116    HG2  GLU  16          2HG       GLU  16   1.416  10.230   4.556
  117    HG3  GLU  16          1HG       GLU  16   1.112  11.564   3.445
  118    H    GLY  17           HN       GLY  17   2.114   7.135   1.253
  119    HA2  GLY  17          2HA       GLY  17   3.825   5.687   2.010
  120    HA3  GLY  17          1HA       GLY  17   3.755   6.480   3.582
  121    H    ILE  18           HN       ILE  18   0.710   6.148   3.204
  122    HA   ILE  18           HA       ILE  18   0.569   3.698   4.720
  123    HB   ILE  18           HB       ILE  18  -1.617   5.605   3.811
  124   HG12  ILE  18          2HG1      ILE  18  -0.265   5.379   6.513
  125   HG13  ILE  18          1HG1      ILE  18   0.034   6.652   5.337
  126   HG21  ILE  18          1HG2      ILE  18  -1.713   3.377   5.851
  127   HG22  ILE  18          2HG2      ILE  18  -2.511   3.385   4.279
  128   HG23  ILE  18          3HG2      ILE  18  -3.017   4.522   5.527
  129   HD11  ILE  18          1HD1      ILE  18  -1.435   7.411   7.116
  130   HD12  ILE  18          2HD1      ILE  18  -2.572   6.113   6.753
  131   HD13  ILE  18          3HD1      ILE  18  -2.288   7.393   5.573
  132    H    CYS  19           HN       CYS  19  -0.052   1.785   3.864
  133    HA   CYS  19           HA       CYS  19  -0.423   1.630   1.020
  134    HB2  CYS  19          2HB       CYS  19  -0.545  -0.568   3.116
  135    HB3  CYS  19          1HB       CYS  19  -0.370  -0.773   1.382
  136    H    VAL  20           HN       VAL  20  -2.381   2.085   0.218
  137    HA   VAL  20           HA       VAL  20  -4.686   1.695   1.946
  138    HB   VAL  20           HB       VAL  20  -4.449   3.354  -0.580
  139   HG11  VAL  20          1HG1      VAL  20  -6.624   3.255   1.507
  140   HG12  VAL  20          2HG1      VAL  20  -6.725   2.627  -0.136
  141   HG13  VAL  20          3HG1      VAL  20  -6.563   4.364   0.136
  142   HG21  VAL  20          1HG2      VAL  20  -4.426   5.313   0.900
  143   HG22  VAL  20          2HG2      VAL  20  -3.033   4.268   1.188
  144   HG23  VAL  20          3HG2      VAL  20  -4.398   4.248   2.306
  145    HA   PRO  21           HA       PRO  21  -5.588  -1.556  -0.997
  146    HB2  PRO  21          2HB       PRO  21  -7.322  -2.914   0.561
  147    HB3  PRO  21          1HB       PRO  21  -5.574  -3.051   0.767
  148    HG2  PRO  21          2HG       PRO  21  -7.558  -1.560   2.393
  149    HG3  PRO  21          1HG       PRO  21  -6.060  -2.349   2.895
  150    HD2  PRO  21          2HD       PRO  21  -6.398   0.392   2.451
  151    HD3  PRO  21          1HD       PRO  21  -4.849  -0.462   2.562
  152    H    MET  22           HN       MET  22  -7.493  -2.127  -2.150
  153    HA   MET  22           HA       MET  22  -9.305  -0.119  -2.661
  154    HB2  MET  22          2HB       MET  22  -8.706  -1.977  -4.211
  155    HB3  MET  22          1HB       MET  22  -9.592  -3.066  -3.138
  156    HG2  MET  22          2HG       MET  22 -11.662  -2.006  -3.683
  157    HG3  MET  22          1HG       MET  22 -10.829  -0.792  -4.654
  158    HE1  MET  22          1HE       MET  22 -11.098  -5.274  -5.780
  159    HE2  MET  22          2HE       MET  22 -11.803  -4.582  -4.320
  160    HE3  MET  22          3HE       MET  22 -10.051  -4.683  -4.491
  161    H    ILE  23           HN       ILE  23 -11.634  -0.219  -2.250
  162    HA   ILE  23           HA       ILE  23 -12.138  -1.086   0.486
  163    HB   ILE  23           HB       ILE  23 -13.900   0.628  -1.325
  164   HG12  ILE  23          2HG1      ILE  23 -12.100   1.435   0.975
  165   HG13  ILE  23          1HG1      ILE  23 -11.747   1.697  -0.728
  166   HG21  ILE  23          1HG2      ILE  23 -15.190  -0.559   0.397
  167   HG22  ILE  23          2HG2      ILE  23 -15.146   1.177   0.706
  168   HG23  ILE  23          3HG2      ILE  23 -14.120   0.090   1.642
  169   HD11  ILE  23          1HD1      ILE  23 -13.687   3.181  -0.892
  170   HD12  ILE  23          2HD1      ILE  23 -12.545   3.730   0.336
  171   HD13  ILE  23          3HD1      ILE  23 -14.031   2.911   0.816
  172    HN1  NH2  24           HN1      NH2  24 -12.386  -3.226   0.321
  173    HN2  NH2  24           HN2      NH2  24 -13.629  -4.017  -0.586
  Start of MODEL   20
    1    H1   ALA   1          1HT       ALA   1   4.930   5.049  -5.377
    2    H2   ALA   1          2HT       ALA   1   3.734   5.667  -4.398
    3    H3   ALA   1          3HT       ALA   1   3.321   4.980  -5.889
    4    HA   ALA   1           HA       ALA   1   2.813   3.488  -4.055
    5    HB1  ALA   1          1HB       ALA   1   3.546   2.501  -6.175
    6    HB2  ALA   1          2HB       ALA   1   4.093   1.541  -4.801
    7    HB3  ALA   1          3HB       ALA   1   5.221   2.604  -5.641
    8    H    CYS   2           HN       CYS   2   3.551   2.322  -2.202
    9    HA   CYS   2           HA       CYS   2   5.555   3.754  -0.735
   10    HB2  CYS   2          2HB       CYS   2   3.754   1.443   0.011
   11    HB3  CYS   2          1HB       CYS   2   4.862   2.240   1.123
   12    H    LYS   3           HN       LYS   3   7.427   2.849   0.182
   13    HA   LYS   3           HA       LYS   3   8.677   0.943  -1.573
   14    HB2  LYS   3          2HB       LYS   3   9.897   2.939  -0.753
   15    HB3  LYS   3          1HB       LYS   3   9.798   2.302   0.880
   16    HG2  LYS   3          2HG       LYS   3  11.158   0.384   0.239
   17    HG3  LYS   3          1HG       LYS   3  11.232   0.978  -1.419
   18    HD2  LYS   3          2HD       LYS   3  12.390   2.992  -0.643
   19    HD3  LYS   3          1HD       LYS   3  12.307   2.404   1.015
   20    HE2  LYS   3          2HE       LYS   3  14.506   1.953   0.104
   21    HE3  LYS   3          1HE       LYS   3  13.643   0.440   0.367
   22    HZ1  LYS   3          1HZ       LYS   3  14.791   0.429  -1.750
   23    HZ2  LYS   3          2HZ       LYS   3  13.988   1.815  -2.249
   24    HZ3  LYS   3          3HZ       LYS   3  13.133   0.388  -2.026
   25    H    GLU   4           HN       GLU   4   7.445   0.949   1.716
   26    HA   GLU   4           HA       GLU   4   8.595  -1.562   2.395
   27    HB2  GLU   4          2HB       GLU   4   6.294  -0.144   3.625
   28    HB3  GLU   4          1HB       GLU   4   7.008  -1.657   4.165
   29    HG2  GLU   4          2HG       GLU   4   7.764   0.236   5.568
   30    HG3  GLU   4          1HG       GLU   4   9.084  -0.563   4.730
   31    H    TYR   5           HN       TYR   5   8.010  -2.580   0.664
   32    HA   TYR   5           HA       TYR   5   5.349  -3.429  -0.043
   33    HB2  TYR   5          2HB       TYR   5   7.292  -3.466  -1.613
   34    HB3  TYR   5          1HB       TYR   5   7.986  -4.763  -0.674
   35    HD1  TYR   5          1HD       TYR   5   7.323  -7.007  -0.989
   36    HD2  TYR   5          2HD       TYR   5   5.150  -3.901  -2.897
   37    HE1  TYR   5          1HE       TYR   5   6.172  -8.673  -2.344
   38    HE2  TYR   5          2HE       TYR   5   3.982  -5.564  -4.276
   39    HH   TYR   5           HH       TYR   5   4.134  -8.929  -3.643
   40    H    TRP   6           HN       TRP   6   7.983  -4.753   1.675
   41    HA   TRP   6           HA       TRP   6   6.982  -7.283   2.387
   42    HB2  TRP   6          2HB       TRP   6   8.757  -7.254   4.158
   43    HB3  TRP   6          1HB       TRP   6   9.349  -6.800   2.569
   44    HD1  TRP   6          1HD       TRP   6   8.661  -5.322   6.032
   45    HE1  TRP   6          1HE       TRP   6   9.839  -3.042   6.224
   46    HE3  TRP   6          3HE       TRP   6  10.266  -4.848   1.204
   47    HZ2  TRP   6          2HZ       TRP   6  11.282  -1.282   4.533
   48    HZ3  TRP   6          3HZ       TRP   6  11.537  -2.842   0.585
   49    HH2  TRP   6          2HH       TRP   6  12.033  -1.103   2.218
   50    H    GLU   7           HN       GLU   7   6.545  -4.179   3.858
   51    HA   GLU   7           HA       GLU   7   5.512  -5.250   6.306
   52    HB2  GLU   7          2HB       GLU   7   6.836  -3.143   6.207
   53    HB3  GLU   7          1HB       GLU   7   5.497  -2.406   5.338
   54    HG2  GLU   7          2HG       GLU   7   4.055  -2.690   7.238
   55    HG3  GLU   7          1HG       GLU   7   5.332  -3.528   8.114
   56    H    CYS   8           HN       CYS   8   4.221  -3.495   3.621
   57    HA   CYS   8           HA       CYS   8   1.568  -3.583   4.612
   58    HB2  CYS   8          2HB       CYS   8   2.602  -2.871   1.879
   59    HB3  CYS   8          1HB       CYS   8   0.978  -2.565   2.484
   60    H    GLY   9           HN       GLY   9   3.320  -5.385   2.143
   61    HA2  GLY   9          2HA       GLY   9   2.677  -7.768   2.039
   62    HA3  GLY   9          1HA       GLY   9   1.011  -7.200   1.988
   63    H    ALA  10           HN       ALA  10   1.156  -8.594   0.010
   64    HA   ALA  10           HA       ALA  10   2.623  -7.660  -2.217
   65    HB1  ALA  10          1HB       ALA  10   1.451  -9.352  -3.492
   66    HB2  ALA  10          2HB       ALA  10   0.298  -9.573  -2.176
   67    HB3  ALA  10          3HB       ALA  10   1.990 -10.016  -1.947
   68    H    PHE  11           HN       PHE  11   2.171  -5.630  -2.594
   69    HA   PHE  11           HA       PHE  11   1.344  -3.876  -3.648
   70    HB2  PHE  11          2HB       PHE  11  -0.297  -5.906  -5.136
   71    HB3  PHE  11          1HB       PHE  11  -0.157  -4.212  -5.601
   72    HD1  PHE  11          1HD       PHE  11   1.242  -7.448  -5.936
   73    HD2  PHE  11          2HD       PHE  11   2.228  -3.314  -5.950
   74    HE1  PHE  11          1HE       PHE  11   3.328  -7.953  -7.129
   75    HE2  PHE  11          2HE       PHE  11   4.309  -3.807  -7.143
   76    HZ   PHE  11           HZ       PHE  11   4.866  -6.132  -7.740
   77    H    LEU  12           HN       LEU  12   0.576  -2.907  -1.921
   78    HA   LEU  12           HA       LEU  12  -2.341  -2.675  -1.792
   79    HB2  LEU  12          2HB       LEU  12  -0.208  -2.156   0.286
   80    HB3  LEU  12          1HB       LEU  12  -1.797  -1.436   0.403
   81    HG   LEU  12           HG       LEU  12  -1.610  -3.315   1.891
   82   HD11  LEU  12          1HD1      LEU  12  -3.781  -2.904   0.937
   83   HD12  LEU  12          2HD1      LEU  12  -3.536  -4.629   1.208
   84   HD13  LEU  12          3HD1      LEU  12  -3.410  -3.969  -0.422
   85   HD21  LEU  12          1HD2      LEU  12  -1.326  -5.618   1.079
   86   HD22  LEU  12          2HD2      LEU  12   0.097  -4.624   0.763
   87   HD23  LEU  12          3HD2      LEU  12  -1.026  -4.997  -0.545
   88    H    PHE  13           HN       PHE  13  -3.075  -0.431  -1.568
   89    HA   PHE  13           HA       PHE  13  -1.264   1.312  -3.034
   90    HB2  PHE  13          2HB       PHE  13  -4.278   1.296  -2.784
   91    HB3  PHE  13          1HB       PHE  13  -3.396   2.619  -3.540
   92    HD1  PHE  13          1HD       PHE  13  -4.196  -0.985  -3.807
   93    HD2  PHE  13          2HD       PHE  13  -2.516   2.414  -5.742
   94    HE1  PHE  13          1HE       PHE  13  -4.143  -2.224  -5.933
   95    HE2  PHE  13          2HE       PHE  13  -2.464   1.185  -7.865
   96    HZ   PHE  13           HZ       PHE  13  -3.274  -1.137  -7.967
   97    H    CYS  14           HN       CYS  14  -1.584   3.745  -2.371
   98    HA   CYS  14           HA       CYS  14  -1.443   3.619   0.554
   99    HB2  CYS  14          2HB       CYS  14   0.445   5.119  -1.223
  100    HB3  CYS  14          1HB       CYS  14   0.491   5.057   0.528
  101    H    ILE  15           HN       ILE  15  -2.270   5.156   1.663
  102    HA   ILE  15           HA       ILE  15  -2.990   7.696   0.411
  103    HB   ILE  15           HB       ILE  15  -4.548   6.244   2.554
  104   HG12  ILE  15          2HG1      ILE  15  -5.325   6.839  -0.317
  105   HG13  ILE  15          1HG1      ILE  15  -4.953   5.253   0.344
  106   HG21  ILE  15          1HG2      ILE  15  -6.183   8.110   2.370
  107   HG22  ILE  15          2HG2      ILE  15  -5.099   8.909   1.230
  108   HG23  ILE  15          3HG2      ILE  15  -4.590   8.658   2.900
  109   HD11  ILE  15          1HD1      ILE  15  -6.930   5.398   1.781
  110   HD12  ILE  15          2HD1      ILE  15  -7.347   5.557   0.073
  111   HD13  ILE  15          3HD1      ILE  15  -7.295   6.985   1.107
  112    H    GLU  16           HN       GLU  16  -1.532   8.909   1.169
  113    HA   GLU  16           HA       GLU  16  -0.179  10.109   2.401
  114    HB2  GLU  16          2HB       GLU  16  -2.348  10.320   3.743
  115    HB3  GLU  16          1HB       GLU  16  -1.609   9.147   4.836
  116    HG2  GLU  16          2HG       GLU  16   0.251  10.559   5.163
  117    HG3  GLU  16          1HG       GLU  16  -0.398  11.713   4.010
  118    H    GLY  17           HN       GLY  17   0.222   7.290   1.900
  119    HA2  GLY  17          2HA       GLY  17   2.283   6.109   2.152
  120    HA3  GLY  17          1HA       GLY  17   2.495   6.888   3.715
  121    H    ILE  18           HN       ILE  18  -0.565   6.068   3.864
  122    HA   ILE  18           HA       ILE  18  -0.006   3.611   5.296
  123    HB   ILE  18           HB       ILE  18  -2.560   5.222   4.969
  124   HG12  ILE  18          2HG1      ILE  18  -0.882   6.386   6.307
  125   HG13  ILE  18          1HG1      ILE  18  -2.223   5.872   7.319
  126   HG21  ILE  18          1HG2      ILE  18  -3.099   2.870   5.337
  127   HG22  ILE  18          2HG2      ILE  18  -3.534   3.850   6.737
  128   HG23  ILE  18          3HG2      ILE  18  -2.078   2.858   6.778
  129   HD11  ILE  18          1HD1      ILE  18  -0.101   5.537   8.446
  130   HD12  ILE  18          2HD1      ILE  18   0.470   4.529   7.122
  131   HD13  ILE  18          3HD1      ILE  18  -0.876   3.985   8.125
  132    H    CYS  19           HN       CYS  19  -0.316   1.681   4.444
  133    HA   CYS  19           HA       CYS  19  -1.190   1.478   1.721
  134    HB2  CYS  19          2HB       CYS  19  -0.281  -0.650   3.668
  135    HB3  CYS  19          1HB       CYS  19  -0.531  -0.872   1.948
  136    H    VAL  20           HN       VAL  20  -3.166   1.088   1.129
  137    HA   VAL  20           HA       VAL  20  -5.021  -0.420   2.829
  138    HB   VAL  20           HB       VAL  20  -6.835   1.173   2.278
  139   HG11  VAL  20          1HG1      VAL  20  -5.694   1.513   4.387
  140   HG12  VAL  20          2HG1      VAL  20  -6.181   3.057   3.686
  141   HG13  VAL  20          3HG1      VAL  20  -4.499   2.537   3.589
  142   HG21  VAL  20          1HG2      VAL  20  -4.666   2.872   1.046
  143   HG22  VAL  20          2HG2      VAL  20  -6.346   3.360   1.282
  144   HG23  VAL  20          3HG2      VAL  20  -5.956   2.041   0.178
  145    HA   PRO  21           HA       PRO  21  -6.159  -2.157  -1.188
  146    HB2  PRO  21          2HB       PRO  21  -8.895  -2.413  -0.821
  147    HB3  PRO  21          1HB       PRO  21  -7.715  -3.605  -0.261
  148    HG2  PRO  21          2HG       PRO  21  -9.139  -1.471   1.249
  149    HG3  PRO  21          1HG       PRO  21  -8.674  -3.097   1.768
  150    HD2  PRO  21          2HD       PRO  21  -7.321  -0.874   2.522
  151    HD3  PRO  21          1HD       PRO  21  -6.538  -2.450   2.314
  152    H    MET  22           HN       MET  22  -6.770  -1.185  -3.134
  153    HA   MET  22           HA       MET  22  -7.117   1.555  -3.024
  154    HB2  MET  22          2HB       MET  22  -5.942   0.545  -4.853
  155    HB3  MET  22          1HB       MET  22  -7.452  -0.213  -5.409
  156    HG2  MET  22          2HG       MET  22  -8.363   1.972  -5.929
  157    HG3  MET  22          1HG       MET  22  -6.923   2.754  -5.288
  158    HE1  MET  22          1HE       MET  22  -7.064  -0.525  -7.516
  159    HE2  MET  22          2HE       MET  22  -6.968   0.179  -9.130
  160    HE3  MET  22          3HE       MET  22  -8.386   0.470  -8.125
  161    H    ILE  23           HN       ILE  23  -8.650   2.787  -3.381
  162    HA   ILE  23           HA       ILE  23 -11.393   1.802  -3.060
  163    HB   ILE  23           HB       ILE  23 -10.334   4.641  -2.778
  164   HG12  ILE  23          2HG1      ILE  23 -11.000   2.624  -0.616
  165   HG13  ILE  23          1HG1      ILE  23  -9.372   3.071  -1.108
  166   HG21  ILE  23          1HG2      ILE  23 -12.980   3.428  -1.958
  167   HG22  ILE  23          2HG2      ILE  23 -12.724   4.558  -3.288
  168   HG23  ILE  23          3HG2      ILE  23 -12.464   5.081  -1.625
  169   HD11  ILE  23          1HD1      ILE  23 -11.415   4.898   0.138
  170   HD12  ILE  23          2HD1      ILE  23  -9.783   5.360  -0.350
  171   HD13  ILE  23          3HD1      ILE  23 -10.018   4.189   0.947
  172    HN1  NH2  24           HN1      NH2  24 -12.128   1.344  -5.050
  173    HN2  NH2  24           HN2      NH2  24 -12.074   2.405  -6.411
  Start of MODEL   21
    1    H1   ALA   1          1HT       ALA   1   4.527   6.831  -3.012
    2    H2   ALA   1          2HT       ALA   1   4.130   6.455  -4.611
    3    H3   ALA   1          3HT       ALA   1   5.714   6.250  -4.049
    4    HA   ALA   1           HA       ALA   1   3.382   4.771  -3.045
    5    HB1  ALA   1          1HB       ALA   1   5.635   3.795  -4.807
    6    HB2  ALA   1          2HB       ALA   1   4.025   4.211  -5.378
    7    HB3  ALA   1          3HB       ALA   1   4.233   2.873  -4.255
    8    H    CYS   2           HN       CYS   2   4.124   2.918  -1.676
    9    HA   CYS   2           HA       CYS   2   5.939   3.874   0.301
   10    HB2  CYS   2          2HB       CYS   2   4.595   1.182  -0.018
   11    HB3  CYS   2          1HB       CYS   2   5.483   1.698   1.406
   12    H    LYS   3           HN       LYS   3   7.961   3.118   0.811
   13    HA   LYS   3           HA       LYS   3   9.418   1.768  -1.272
   14    HB2  LYS   3          2HB       LYS   3  10.284   2.496   1.550
   15    HB3  LYS   3          1HB       LYS   3  11.340   1.835   0.324
   16    HG2  LYS   3          2HG       LYS   3  11.820   4.131   0.416
   17    HG3  LYS   3          1HG       LYS   3  10.844   3.915  -1.030
   18    HD2  LYS   3          2HD       LYS   3   8.883   4.743   0.115
   19    HD3  LYS   3          1HD       LYS   3   9.777   4.838   1.634
   20    HE2  LYS   3          2HE       LYS   3  11.264   6.511   0.647
   21    HE3  LYS   3          1HE       LYS   3  10.370   6.411  -0.870
   22    HZ1  LYS   3          1HZ       LYS   3   9.707   8.294   0.500
   23    HZ2  LYS   3          2HZ       LYS   3   9.242   7.249   1.731
   24    HZ3  LYS   3          3HZ       LYS   3   8.430   7.224   0.232
   25    H    GLU   4           HN       GLU   4   8.224   1.163   1.954
   26    HA   GLU   4           HA       GLU   4   8.893  -1.645   1.770
   27    HB2  GLU   4          2HB       GLU   4   7.316  -0.231   3.874
   28    HB3  GLU   4          1HB       GLU   4   7.901  -1.884   3.892
   29    HG2  GLU   4          2HG       GLU   4   9.273  -0.537   5.393
   30    HG3  GLU   4          1HG       GLU   4  10.228  -1.058   4.013
   31    H    TYR   5           HN       TYR   5   7.662  -2.166   0.177
   32    HA   TYR   5           HA       TYR   5   4.767  -1.752   0.178
   33    HB2  TYR   5          2HB       TYR   5   6.250  -1.810  -1.892
   34    HB3  TYR   5          1HB       TYR   5   6.298  -3.542  -1.670
   35    HD1  TYR   5          1HD       TYR   5   4.861  -4.764  -2.986
   36    HD2  TYR   5          2HD       TYR   5   3.639  -0.929  -1.663
   37    HE1  TYR   5          1HE       TYR   5   2.734  -5.030  -4.181
   38    HE2  TYR   5          2HE       TYR   5   1.520  -1.178  -2.847
   39    HH   TYR   5           HH       TYR   5   0.656  -2.451  -4.768
   40    H    TRP   6           HN       TRP   6   7.104  -4.098   0.814
   41    HA   TRP   6           HA       TRP   6   5.524  -6.388   1.198
   42    HB2  TRP   6          2HB       TRP   6   7.325  -7.304   2.556
   43    HB3  TRP   6          1HB       TRP   6   8.037  -6.423   1.214
   44    HD1  TRP   6          1HD       TRP   6   9.387  -4.145   1.842
   45    HE1  TRP   6          1HE       TRP   6  10.409  -3.323   4.067
   46    HE3  TRP   6          3HE       TRP   6   7.018  -7.322   5.067
   47    HZ2  TRP   6          2HZ       TRP   6  10.229  -3.929   6.791
   48    HZ3  TRP   6          3HZ       TRP   6   7.506  -7.136   7.466
   49    HH2  TRP   6          2HH       TRP   6   9.079  -5.476   8.305
   50    H    GLU   7           HN       GLU   7   5.911  -3.544   3.092
   51    HA   GLU   7           HA       GLU   7   4.862  -4.527   5.543
   52    HB2  GLU   7          2HB       GLU   7   6.250  -2.502   5.417
   53    HB3  GLU   7          1HB       GLU   7   5.014  -1.712   4.452
   54    HG2  GLU   7          2HG       GLU   7   4.921  -0.925   6.721
   55    HG3  GLU   7          1HG       GLU   7   3.472  -1.854   6.345
   56    H    CYS   8           HN       CYS   8   3.572  -3.191   2.668
   57    HA   CYS   8           HA       CYS   8   0.934  -2.806   3.659
   58    HB2  CYS   8          2HB       CYS   8   1.916  -3.034   0.819
   59    HB3  CYS   8          1HB       CYS   8   0.382  -2.371   1.372
   60    H    GLY   9           HN       GLY   9   2.617  -5.192   1.731
   61    HA2  GLY   9          2HA       GLY   9   2.027  -7.544   2.126
   62    HA3  GLY   9          1HA       GLY   9   0.344  -7.021   2.148
   63    H    ALA  10           HN       ALA  10  -0.297  -8.281   0.424
   64    HA   ALA  10           HA       ALA  10   1.120  -7.934  -2.089
   65    HB1  ALA  10          1HB       ALA  10   0.608 -10.221  -1.396
   66    HB2  ALA  10          2HB       ALA  10  -0.210  -9.804  -2.903
   67    HB3  ALA  10          3HB       ALA  10  -1.112  -9.831  -1.387
   68    H    PHE  11           HN       PHE  11   0.559  -6.162  -3.050
   69    HA   PHE  11           HA       PHE  11  -0.519  -4.704  -4.264
   70    HB2  PHE  11          2HB       PHE  11  -2.621  -6.852  -4.461
   71    HB3  PHE  11          1HB       PHE  11  -2.685  -5.346  -5.373
   72    HD1  PHE  11          1HD       PHE  11  -1.059  -4.881  -7.127
   73    HD2  PHE  11          2HD       PHE  11  -1.029  -8.582  -5.025
   74    HE1  PHE  11          1HE       PHE  11   0.402  -5.849  -8.850
   75    HE2  PHE  11          2HE       PHE  11   0.432  -9.552  -6.745
   76    HZ   PHE  11           HZ       PHE  11   1.150  -8.187  -8.660
   77    H    LEU  12           HN       LEU  12  -0.569  -3.181  -2.848
   78    HA   LEU  12           HA       LEU  12  -3.200  -2.396  -1.835
   79    HB2  LEU  12          2HB       LEU  12  -0.631  -2.381  -0.281
   80    HB3  LEU  12          1HB       LEU  12  -1.954  -1.324   0.142
   81    HG   LEU  12           HG       LEU  12  -2.009  -3.106   1.657
   82   HD11  LEU  12          1HD1      LEU  12  -4.135  -4.218   1.223
   83   HD12  LEU  12          2HD1      LEU  12  -4.087  -3.636  -0.434
   84   HD13  LEU  12          3HD1      LEU  12  -4.180  -2.486   0.903
   85   HD21  LEU  12          1HD2      LEU  12  -2.088  -5.475   1.038
   86   HD22  LEU  12          2HD2      LEU  12  -0.598  -4.709   0.494
   87   HD23  LEU  12          3HD2      LEU  12  -1.893  -5.034  -0.659
   88    H    PHE  13           HN       PHE  13  -3.266  -0.055  -1.384
   89    HA   PHE  13           HA       PHE  13  -1.465   1.392  -3.183
   90    HB2  PHE  13          2HB       PHE  13  -3.927   1.408  -3.719
   91    HB3  PHE  13          1HB       PHE  13  -4.214   2.178  -2.166
   92    HD1  PHE  13          1HD       PHE  13  -2.428   2.604  -5.386
   93    HD2  PHE  13          2HD       PHE  13  -4.125   4.504  -1.976
   94    HE1  PHE  13          1HE       PHE  13  -2.089   4.793  -6.439
   95    HE2  PHE  13          2HE       PHE  13  -3.783   6.693  -3.027
   96    HZ   PHE  13           HZ       PHE  13  -2.761   6.835  -5.263
   97    H    CYS  14           HN       CYS  14  -0.731   3.522  -2.335
   98    HA   CYS  14           HA       CYS  14  -0.689   3.455   0.593
   99    HB2  CYS  14          2HB       CYS  14   1.462   4.372  -1.279
  100    HB3  CYS  14          1HB       CYS  14   1.487   4.598   0.457
  101    H    ILE  15           HN       ILE  15  -1.097   5.204   1.642
  102    HA   ILE  15           HA       ILE  15  -1.078   7.728   0.292
  103    HB   ILE  15           HB       ILE  15  -3.392   7.149   0.086
  104   HG12  ILE  15          2HG1      ILE  15  -3.085   9.103   2.376
  105   HG13  ILE  15          1HG1      ILE  15  -2.891   9.487   0.670
  106   HG21  ILE  15          1HG2      ILE  15  -3.605   5.410   1.759
  107   HG22  ILE  15          2HG2      ILE  15  -4.861   6.623   2.006
  108   HG23  ILE  15          3HG2      ILE  15  -3.443   6.598   3.053
  109   HD11  ILE  15          1HD1      ILE  15  -5.256   8.967   0.301
  110   HD12  ILE  15          2HD1      ILE  15  -5.040  10.233   1.509
  111   HD13  ILE  15          3HD1      ILE  15  -5.434   8.590   2.015
  112    H    GLU  16           HN       GLU  16   0.305   8.757   1.297
  113    HA   GLU  16           HA       GLU  16   1.584   9.762   2.816
  114    HB2  GLU  16          2HB       GLU  16  -0.802   9.252   4.490
  115    HB3  GLU  16          1HB       GLU  16   0.514  10.368   4.939
  116    HG2  GLU  16          2HG       GLU  16  -1.460  10.601   2.659
  117    HG3  GLU  16          1HG       GLU  16  -1.318  11.669   4.055
  118    H    GLY  17           HN       GLY  17   1.651   6.894   2.558
  119    HA2  GLY  17          2HA       GLY  17   3.381   5.488   3.419
  120    HA3  GLY  17          1HA       GLY  17   3.237   6.327   4.958
  121    H    ILE  18           HN       ILE  18   0.189   5.930   4.275
  122    HA   ILE  18           HA       ILE  18  -0.043   3.513   5.848
  123    HB   ILE  18           HB       ILE  18  -2.225   5.345   4.793
  124   HG12  ILE  18          2HG1      ILE  18  -0.943   5.331   7.537
  125   HG13  ILE  18          1HG1      ILE  18  -0.630   6.535   6.292
  126   HG21  ILE  18          1HG2      ILE  18  -3.618   4.315   6.541
  127   HG22  ILE  18          2HG2      ILE  18  -2.273   3.268   6.991
  128   HG23  ILE  18          3HG2      ILE  18  -3.017   3.107   5.401
  129   HD11  ILE  18          1HD1      ILE  18  -2.180   7.371   7.958
  130   HD12  ILE  18          2HD1      ILE  18  -3.271   6.021   7.647
  131   HD13  ILE  18          3HD1      ILE  18  -2.976   7.226   6.391
  132    H    CYS  19           HN       CYS  19  -0.485   1.612   4.930
  133    HA   CYS  19           HA       CYS  19  -0.973   1.480   2.085
  134    HB2  CYS  19          2HB       CYS  19  -0.817  -0.834   4.032
  135    HB3  CYS  19          1HB       CYS  19  -0.584  -0.836   2.304
  136    H    VAL  20           HN       VAL  20  -2.983   1.496   1.336
  137    HA   VAL  20           HA       VAL  20  -5.096   0.474   3.062
  138    HB   VAL  20           HB       VAL  20  -6.675   2.096   2.012
  139   HG11  VAL  20          1HG1      VAL  20  -5.712   2.606   4.176
  140   HG12  VAL  20          2HG1      VAL  20  -5.903   4.085   3.232
  141   HG13  VAL  20          3HG1      VAL  20  -4.311   3.344   3.401
  142   HG21  VAL  20          1HG2      VAL  20  -4.174   3.308   0.815
  143   HG22  VAL  20          2HG2      VAL  20  -5.775   4.047   0.791
  144   HG23  VAL  20          3HG2      VAL  20  -5.487   2.538  -0.076
  145    HA   PRO  21           HA       PRO  21  -6.021  -2.206  -0.393
  146    HB2  PRO  21          2HB       PRO  21  -8.738  -2.405   0.684
  147    HB3  PRO  21          1HB       PRO  21  -7.511  -3.664   0.530
  148    HG2  PRO  21          2HG       PRO  21  -8.273  -2.650   2.920
  149    HG3  PRO  21          1HG       PRO  21  -6.637  -3.248   2.602
  150    HD2  PRO  21          2HD       PRO  21  -7.632  -0.441   2.752
  151    HD3  PRO  21          1HD       PRO  21  -6.094  -1.152   3.282
  152    H    MET  22           HN       MET  22  -6.353  -1.276  -2.329
  153    HA   MET  22           HA       MET  22  -8.412   0.656  -2.579
  154    HB2  MET  22          2HB       MET  22  -6.126   1.191  -3.362
  155    HB3  MET  22          1HB       MET  22  -6.263  -0.160  -4.493
  156    HG2  MET  22          2HG       MET  22  -8.025   0.982  -5.677
  157    HG3  MET  22          1HG       MET  22  -7.935   2.330  -4.543
  158    HE1  MET  22          1HE       MET  22  -6.432   3.874  -7.791
  159    HE2  MET  22          2HE       MET  22  -7.642   4.036  -6.517
  160    HE3  MET  22          3HE       MET  22  -7.756   2.714  -7.677
  161    H    ILE  23           HN       ILE  23  -9.829   0.425  -4.468
  162    HA   ILE  23           HA       ILE  23 -10.066  -2.340  -5.340
  163    HB   ILE  23           HB       ILE  23 -11.923  -1.832  -3.886
  164   HG12  ILE  23          2HG1      ILE  23 -12.874  -1.942  -6.761
  165   HG13  ILE  23          1HG1      ILE  23 -12.348  -3.321  -5.806
  166   HG21  ILE  23          1HG2      ILE  23 -12.643   0.453  -5.710
  167   HG22  ILE  23          2HG2      ILE  23 -12.038   0.580  -4.064
  168   HG23  ILE  23          3HG2      ILE  23 -13.627  -0.128  -4.366
  169   HD11  ILE  23          1HD1      ILE  23 -14.771  -3.210  -5.957
  170   HD12  ILE  23          2HD1      ILE  23 -14.753  -1.596  -5.245
  171   HD13  ILE  23          3HD1      ILE  23 -14.236  -2.986  -4.292
  172    HN1  NH2  24           HN1      NH2  24  -8.986  -2.252  -7.151
  173    HN2  NH2  24           HN2      NH2  24  -9.365  -1.235  -8.496