*HEADER    TOXIN                                   01-JUN-20   6X8R              
*TITLE     PHARMACOLOGICAL CHARACTERISATION AND NMR STRUCTURE OF THE NOVEL MU-   
*TITLE    2 CONOTOXIN SXIIIC, A POTENT IRREVERSIBLE NAV CHANNEL INHIBITOR        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SXIIIC PEPTIDE;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS STRIOLATUS;                               
*SOURCE   4 ORGANISM_TAXID: 101315                                               
*KEYWDS    SODIUM CHANNELS, TOXIN                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.I.SCHROEDER,K.L.MCMAHON                                             
*REVDAT   1   21-OCT-20 6X8R    0                                                
# Restraints file 1: restraints.tbl
#NOE restraints
assign (resid 2     and name HA2  ) (resid 3     and name HN   )    3.36    3.36    0.00
assign (resid 2     and name HA1  ) (resid 3     and name HN   )    3.36    3.36    0.00
assign (resid 2     and name HN   ) (resid 3     and name HN   )    3.36    3.36    0.00
assign (resid 3     and name HN   ) (resid 4     and name HN   )    3.45    3.45    0.00
assign (resid 10    and name HN   ) (resid 11    and name HN   )    3.08    3.08    0.00
assign (resid 4     and name HA   ) (resid 5     and name HN   )    3.42    3.42    0.00
assign (resid 4     and name HB1  ) (resid 5     and name HN   )    3.98    3.98    0.00
assign (resid 4     and name HB2  ) (resid 5     and name HN   )    3.98    3.98    0.00
assign (resid 4     and name HN   ) (resid 5     and name HN   )    3.30    3.30    0.00
assign (resid 6     and name HN   ) (resid 7     and name HN   )    4.60    4.60    0.00
assign (resid 7     and name HB2  ) (resid 8     and name HN   )    3.98    3.98    0.00
assign (resid 7     and name HB1  ) (resid 8     and name HN   )    3.98    3.98    0.00
assign (resid 7     and name HA   ) (resid 8     and name HN   )    2.96    2.96    0.00
assign (resid 9     and name HA2  ) (resid 10    and name HN   )    2.99    2.99    0.00
assign (resid 9     and name HA1  ) (resid 10    and name HN   )    2.99    2.99    0.00
assign (resid 10    and name HA   ) (resid 11    and name HN   )    3.36    3.36    0.00
assign (resid 10    and name HB1  ) (resid 11    and name HN   )    4.20    4.20    0.00
assign (resid 10    and name HB2  ) (resid 11    and name HN   )    4.20    4.20    0.00
assign (resid 12    and name HA   ) (resid 13    and name HN   )    2.59    2.59    0.00
assign (resid 13    and name HB#  ) (resid 14    and name HN   )    4.30    4.30    0.00
assign (resid 13    and name HN   ) (resid 14    and name HN   )    3.30    3.30    0.00
assign (resid 14    and name HN   ) (resid 15    and name HN   )    3.17    3.17    0.00
assign (resid 14    and name HA   ) (resid 15    and name HN   )    3.42    3.42    0.00
assign (resid 15    and name HN   ) (resid 16    and name HN   )    2.77    2.77    0.00
assign (resid 17    and name HB1  ) (resid 18    and name HN   )    3.92    3.92    0.00
assign (resid 17    and name HB2  ) (resid 18    and name HN   )    3.92    3.92    0.00
assign (resid 17    and name HN   ) (resid 18    and name HN   )    3.02    3.02    0.00
assign (resid 18    and name HA   ) (resid 19    and name HN   )    3.36    3.36    0.00
assign (resid 18    and name HN   ) (resid 19    and name HN   )    2.77    2.77    0.00
assign (resid 20    and name HB#  ) (resid 21    and name HN   )    3.90    3.90    0.00
assign (resid 19    and name HN   ) (resid 20    and name HN   )    4.48    4.48    0.00
assign (resid 21    and name HN   ) (resid 22    and name HN   )    3.24    3.24    0.00
assign (resid 20    and name HN   ) (resid 20    and name HB#  )    4.05    4.05    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB#  )    3.84    3.84    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB1  )    2.96    2.96    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB2  )    2.96    2.96    0.00
assign (resid 14    and name HN   ) (resid 14    and name HA   )    2.87    2.87    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB1  )    3.52    3.52    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB2  )    3.52    3.52    0.00
assign (resid 2     and name HN   ) (resid 2     and name HA2  )    2.87    2.87    0.00
assign (resid 2     and name HN   ) (resid 2     and name HA1  )    2.87    2.87    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB1  )    3.30    3.30    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB2  )    3.30    3.30    0.00
assign (resid 11    and name HN   ) (resid 11    and name HB1  )    3.08    3.08    0.00
assign (resid 11    and name HN   ) (resid 11    and name HB2  )    3.08    3.08    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB1  )    3.30    3.30    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB2  )    3.30    3.30    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB2  )    3.30    3.30    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB1  )    3.30    3.30    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB1  )    3.14    3.14    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB2  )    3.14    3.14    0.00
assign (resid 22    and name HN   ) (resid 22    and name HB1  )    3.67    3.67    0.00
assign (resid 22    and name HN   ) (resid 22    and name HB2  )    3.67    3.67    0.00
assign (resid 18    and name HN   ) (resid 18    and name HB1  )    3.86    3.86    0.00
assign (resid 18    and name HN   ) (resid 18    and name HB2  )    3.86    3.86    0.00
assign (resid 2     and name HA2  ) (resid 5     and name HN   )    4.01    4.01    0.00
assign (resid 2     and name HA1  ) (resid 5     and name HN   )    4.01    4.01    0.00
assign (resid 5     and name HN   ) (resid 6     and name HN   )    3.73    3.73    0.00
assign (resid 13    and name HA   ) (resid 16    and name HN   )    3.73    3.73    0.00
assign (resid 13    and name HA   ) (resid 17    and name HN   )    4.07    4.07    0.00
assign (resid 2     and name HN   ) (resid 7     and name HA   )    4.48    4.48    0.00
assign (resid 14    and name HA   ) (resid 17    and name HB2  )    4.35    4.35    0.00
assign (resid 14    and name HA   ) (resid 17    and name HB1  )    4.35    4.35    0.00
assign (resid 14    and name HA   ) (resid 14    and name HD1  )    4.45    4.45    0.00
assign (resid 14    and name HA   ) (resid 14    and name HE3  )    5.19    5.19    0.00
assign (resid 16    and name HG#  ) (resid 17    and name HN   )    6.38    6.38    0.00
assign (resid 18    and name HA   ) (resid 18    and name HD2  )    5.50    5.50    0.00
assign (resid 20    and name HG1  ) (resid 21    and name HN   )    5.50    5.50    0.00
assign (resid 20    and name HG2  ) (resid 21    and name HN   )    5.50    5.50    0.00
assign (resid 20    and name HN   ) (resid 20    and name HD#  )    6.38    6.38    0.00
assign (resid 13    and name HN   ) (resid 13    and name HD#  )    6.38    6.38    0.00
assign (resid 13    and name HN   ) (resid 13    and name HG2  )    5.50    5.50    0.00
assign (resid 13    and name HN   ) (resid 13    and name HG1  )    5.50    5.50    0.00
assign (resid 7     and name HN   ) (resid 7     and name HG1  )    5.22    5.22    0.00
assign (resid 7     and name HN   ) (resid 7     and name HG2  )    5.22    5.22    0.00
assign (resid 16    and name HN   ) (resid 16    and name HG#  )    5.51    5.51    0.00
assign (resid 17    and name HB1  ) (resid 18    and name HE1  )    5.38    5.38    0.00
assign (resid 17    and name HB2  ) (resid 18    and name HE1  )    5.38    5.38    0.00
assign (resid 14    and name HA   ) (resid 18    and name HE1  )    5.50    5.50    0.00
assign (resid 14    and name HZ2  ) (resid 18    and name HB1  )    5.28    5.28    0.00
assign (resid 14    and name HH2  ) (resid 18    and name HB1  )    5.50    5.50    0.00
assign (resid 14    and name HZ2  ) (resid 18    and name HB2  )    5.28    5.28    0.00
assign (resid 14    and name HH2  ) (resid 18    and name HB2  )    5.50    5.50    0.00
assign (resid 14    and name HE3  ) (resid 15    and name HA   )    3.52    3.52    0.00
assign (resid 14    and name HA   ) (resid 18    and name HD2  )    3.55    3.55    0.00
assign (resid 14    and name HD1  ) (resid 18    and name HD2  )    5.10    5.10    0.00
assign (resid 18    and name HN   ) (resid 18    and name HD2  )    5.31    5.31    0.00
assign (resid 14    and name HA   ) (resid 18    and name HD1  )    5.50    5.50    0.00
assign (resid 1     and name HB#  ) (resid 19    and name HA   )    6.38    6.38    0.00
assign (resid 1     and name HA   ) (resid 1     and name HE   )    4.35    4.35    0.00
assign (resid 1     and name HB#  ) (resid 1     and name HE   )    4.58    4.58    0.00
assign (resid 1     and name HA   ) (resid 1     and name HD#  )    5.17    5.17    0.00
assign (resid 7     and name HA   ) (resid 7     and name HE   )    4.76    4.76    0.00
assign (resid 7     and name HG1  ) (resid 7     and name HE   )    3.95    3.95    0.00
assign (resid 7     and name HG2  ) (resid 7     and name HE   )    3.95    3.95    0.00
assign (resid 7     and name HB1  ) (resid 7     and name HE   )    3.70    3.70    0.00
assign (resid 7     and name HB2  ) (resid 7     and name HE   )    3.70    3.70    0.00
assign (resid 13    and name HA   ) (resid 13    and name HE   )    5.31    5.31    0.00
assign (resid 13    and name HB#  ) (resid 13    and name HE   )    5.33    5.33    0.00
assign (resid 13    and name HG2  ) (resid 13    and name HE   )    4.11    4.11    0.00
assign (resid 13    and name HG1  ) (resid 13    and name HE   )    4.11    4.11    0.00
assign (resid 16    and name HA   ) (resid 16    and name HE   )    4.66    4.66    0.00
assign (resid 16    and name HA   ) (resid 16    and name HD#  )    5.36    5.36    0.00
assign (resid 13    and name HA   ) (resid 13    and name HD#  )    4.92    4.92    0.00
assign (resid 20    and name HA   ) (resid 20    and name HE   )    4.60    4.60    0.00
assign (resid 20    and name HB#  ) (resid 20    and name HE   )    4.77    4.77    0.00
assign (resid 20    and name HG2  ) (resid 20    and name HE   )    3.61    3.61    0.00
assign (resid 20    and name HG1  ) (resid 20    and name HE   )    3.61    3.61    0.00
assign (resid 20    and name HA   ) (resid 20    and name HD#  )    4.96    4.96    0.00
assign (resid 19    and name HB#  ) (resid 20    and name HN   )    5.19    5.19    0.00
assign (resid 19    and name HN   ) (resid 19    and name HB#  )    4.07    4.07    0.00
assign (resid 19    and name HB#  ) (resid 22    and name HN   )    5.22    5.22    0.00
assign (resid 18    and name HN   ) (resid 19    and name HB#  )    6.52    6.52    0.00
assign (resid 14    and name HE3  ) (resid 19    and name HB#  )    6.52    6.52    0.00
assign (resid 15    and name HA   ) (resid 19    and name HB#  )    5.09    5.09    0.00
assign (resid 3     and name HB2  ) (resid 19    and name HB#  )    4.63    4.63    0.00
assign (resid 3     and name HB1  ) (resid 19    and name HB#  )    4.63    4.63    0.00
assign (resid 2     and name HA#  ) (resid 3     and name HN   )    2.85    2.85    0.00
assign (resid 2     and name HA#  ) (resid 4     and name HN   )    3.62    3.62    0.00
assign (resid 2     and name HA#  ) (resid 5     and name HN   )    3.48    3.48    0.00
assign (resid 2     and name HA#  ) (resid 5     and name HA   )    4.15    4.15    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB#  )    2.64    2.64    0.00
assign (resid 3     and name HB#  ) (resid 4     and name HN   )    3.41    3.41    0.00
assign (resid 3     and name HB#  ) (resid 19    and name HB#  )    3.98    3.98    0.00
assign (resid 4     and name HN   ) (resid 4     and name HB#  )    2.90    2.90    0.00
assign (resid 4     and name HB#  ) (resid 5     and name HN   )    3.49    3.49    0.00
assign (resid 5     and name HB#  ) (resid 6     and name HN   )    3.94    3.94    0.00
assign (resid 6     and name HA#  ) (resid 7     and name HN   )    2.89    2.89    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB#  )    2.95    2.95    0.00
assign (resid 7     and name HN   ) (resid 7     and name HG#  )    4.50    4.50    0.00
assign (resid 7     and name HB#  ) (resid 7     and name HG#  )    2.00    2.00    0.00
assign (resid 7     and name HB#  ) (resid 7     and name HE   )    3.21    3.21    0.00
assign (resid 7     and name HG#  ) (resid 7     and name HE   )    3.29    3.29    0.00
assign (resid 7     and name HG#  ) (resid 8     and name HN   )    5.34    5.34    0.00
assign (resid 7     and name HD#  ) (resid 14    and name HD1  )    4.27    4.27    0.00
assign (resid 10    and name HN   ) (resid 10    and name HB#  )    2.64    2.64    0.00
assign (resid 11    and name HN   ) (resid 11    and name HB#  )    2.69    2.69    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB#  )    2.85    2.85    0.00
assign (resid 12    and name HB#  ) (resid 13    and name HN   )    3.14    3.14    0.00
assign (resid 13    and name HN   ) (resid 13    and name HG#  )    4.81    4.81    0.00
assign (resid 13    and name HA   ) (resid 16    and name HB#  )    3.26    3.26    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB#  )    2.56    2.56    0.00
assign (resid 14    and name HA   ) (resid 17    and name HB#  )    3.72    3.72    0.00
assign (resid 14    and name HB#  ) (resid 14    and name HD1  )    3.15    3.15    0.00
assign (resid 14    and name HB#  ) (resid 14    and name HE3  )    3.50    3.50    0.00
assign (resid 14    and name HB#  ) (resid 15    and name HN   )    3.02    3.02    0.00
assign (resid 14    and name HE3  ) (resid 18    and name HB#  )    5.34    5.34    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB#  )    2.66    2.66    0.00
assign (resid 15    and name HB#  ) (resid 16    and name HN   )    2.83    2.83    0.00
assign (resid 15    and name HB#  ) (resid 19    and name HA   )    3.59    3.59    0.00
assign (resid 15    and name HB#  ) (resid 19    and name HB#  )    5.51    5.51    0.00
assign (resid 16    and name HN   ) (resid 16    and name HB#  )    2.53    2.53    0.00
assign (resid 16    and name HB#  ) (resid 16    and name HD#  )    3.62    3.62    0.00
assign (resid 16    and name HB#  ) (resid 16    and name HE   )    3.08    3.08    0.00
assign (resid 16    and name HB#  ) (resid 17    and name HN   )    3.05    3.05    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB#  )    2.64    2.64    0.00
assign (resid 17    and name HB#  ) (resid 18    and name HN   )    3.30    3.30    0.00
assign (resid 17    and name HB#  ) (resid 18    and name HD1  )    5.34    5.34    0.00
assign (resid 17    and name HB#  ) (resid 18    and name HD2  )    4.82    4.82    0.00
assign (resid 18    and name HN   ) (resid 18    and name HB#  )    3.01    3.01    0.00
assign (resid 18    and name HB#  ) (resid 19    and name HN   )    4.29    4.29    0.00
assign (resid 20    and name HG#  ) (resid 21    and name HN   )    4.84    4.84    0.00
assign (resid 21    and name HN   ) (resid 21    and name HB#  )    2.98    2.98    0.00
assign (resid 21    and name HB#  ) (resid 22    and name HN   )    3.28    3.28    0.00
assign (resid 21    and name HB#  ) (resid 22    and name HB#  )    3.67    3.67    0.00
assign (resid 22    and name HN   ) (resid 22    and name HB#  )    2.82    2.82    0.00
#Dihedral restraints
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0  -83.4   33.4 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0   -4.7   30.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name CB   ) (resid 3     and name SG   )    1.0  -60.0   30.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -95.6   30.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0   -1.2   50.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name CB   ) (resid 4     and name SG   )    1.0  -60.0   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  105.0   45.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -60.0   60.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -97.5   51.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  136.0   38.4 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0  -62.6   20.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  -35.2   20.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -62.2   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  -45.1   20.0 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0  -68.1   20.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0  -35.8   25.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name CB   ) (resid 15    and name SG   )    1.0  -60.0   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  -63.6   20.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    ) (resid 17    and name N    )    1.0  -37.8   20.0 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    ) (resid 18    and name N    )    1.0  -22.5   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  -87.7   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  -83.9   40.6 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  128.4   40.0 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0  -67.9   40.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    ) (resid 21    and name N    )    1.0  -27.8   30.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name CB   ) (resid 21    and name SG   )    1.0  -60.0   30.0 2
assign (resid 4     and name CA   ) (resid 4     and name CB   ) (resid 4     and name SG   ) (resid 21    and name SG   )    1.0  -60.0   40.0 2
assign (resid 15    and name CA   ) (resid 15    and name CB   ) (resid 15    and name SG   ) (resid 3     and name SG   )    1.0  -60.0   30.0 2
#H-bond-restraints
assign (resid 12    and name O    ) (resid 16    and name HN   )    2.30    2.30    0.00
assign (resid 12    and name O    ) (resid 16    and name N    )    3.30    3.30    0.00
assign (resid 13    and name O    ) (resid 17    and name HN   )    2.30    2.30    0.00
assign (resid 13    and name O    ) (resid 17    and name N    )    3.30    3.30    0.00
assign (resid 14    and name O    ) (resid 18    and name HN   )    2.30    2.30    0.00
assign (resid 14    and name O    ) (resid 18    and name N    )    3.30    3.30    0.00


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1          1HT       ARG   1   2.331   2.477   8.276
    2    H2   ARG   1          2HT       ARG   1   1.164   1.802   9.300
    3    H3   ARG   1          3HT       ARG   1   1.167   3.462   8.955
    4    HA   ARG   1           HA       ARG   1   0.767   1.428   6.908
    5    HB2  ARG   1          2HB       ARG   1  -1.597   2.001   6.965
    6    HB3  ARG   1          1HB       ARG   1  -1.092   1.343   8.508
    7    HG2  ARG   1          2HG       ARG   1  -0.877   3.799   9.233
    8    HG3  ARG   1          1HG       ARG   1  -1.837   4.144   7.797
    9    HD2  ARG   1          2HD       ARG   1  -2.582   2.466  10.174
   10    HD3  ARG   1          1HD       ARG   1  -3.313   3.973   9.636
   11    HE   ARG   1           HE       ARG   1  -3.509   1.949   7.663
   12   HH11  ARG   1          1HH1      ARG   1  -4.933   3.175  10.649
   13   HH12  ARG   1          2HH1      ARG   1  -6.405   2.343  10.484
   14   HH21  ARG   1          1HH2      ARG   1  -5.575   0.796   7.406
   15   HH22  ARG   1          2HH2      ARG   1  -6.788   0.981   8.585
   16    H    GLY   2           HN       GLY   2   1.853   2.311   5.262
   17    HA2  GLY   2          2HA       GLY   2   1.297   5.130   4.761
   18    HA3  GLY   2          1HA       GLY   2   2.753   4.290   4.265
   19    H    CYS   3           HN       CYS   3  -0.609   3.598   4.000
   20    HA   CYS   3           HA       CYS   3  -0.181   2.889   1.201
   21    HB2  CYS   3          2HB       CYS   3  -2.568   2.362   2.950
   22    HB3  CYS   3          1HB       CYS   3  -2.291   1.727   1.330
   23    H    CYS   4           HN       CYS   4  -0.762   5.504   2.678
   24    HA   CYS   4           HA       CYS   4  -2.088   6.553   0.293
   25    HB2  CYS   4          2HB       CYS   4  -2.213   7.822   3.048
   26    HB3  CYS   4          1HB       CYS   4  -2.991   8.424   1.595
   27    H    ASN   5           HN       ASN   5   0.180   7.044   2.887
   28    HA   ASN   5           HA       ASN   5   2.271   7.809   1.137
   29    HB2  ASN   5          2HB       ASN   5   0.977   9.932   1.376
   30    HB3  ASN   5          1HB       ASN   5   1.228   9.851   3.109
   31   HD21  ASN   5          1HD2      ASN   5   2.704  10.527   0.071
   32   HD22  ASN   5          2HD2      ASN   5   4.191  11.152   0.686
   33    H    GLY   6           HN       GLY   6   3.816   6.552   2.110
   34    HA2  GLY   6          2HA       GLY   6   5.096   7.027   4.404
   35    HA3  GLY   6          1HA       GLY   6   3.656   6.235   5.014
   36    H    ARG   7           HN       ARG   7   4.091   4.627   2.236
   37    HA   ARG   7           HA       ARG   7   6.002   2.813   3.457
   38    HB2  ARG   7          2HB       ARG   7   3.651   2.302   1.689
   39    HB3  ARG   7          1HB       ARG   7   4.996   1.178   1.709
   40    HG2  ARG   7          2HG       ARG   7   3.229   1.942   4.043
   41    HG3  ARG   7          1HG       ARG   7   3.177   0.422   3.157
   42    HD2  ARG   7          2HD       ARG   7   4.391  -0.053   5.154
   43    HD3  ARG   7          1HD       ARG   7   5.588   0.081   3.884
   44    HE   ARG   7           HE       ARG   7   5.243   2.611   5.017
   45   HH11  ARG   7          1HH1      ARG   7   6.709  -0.484   5.897
   46   HH12  ARG   7          2HH1      ARG   7   7.833   0.210   6.959
   47   HH21  ARG   7          1HH2      ARG   7   6.763   3.541   6.414
   48   HH22  ARG   7          2HH2      ARG   7   7.874   2.568   7.263
   49    H    GLY   8           HN       GLY   8   7.397   1.631   1.829
   50    HA2  GLY   8          2HA       GLY   8   8.506   3.505  -0.023
   51    HA3  GLY   8          1HA       GLY   8   9.037   1.847   0.237
   52    H    GLY   9           HN       GLY   9   6.199   3.506  -0.986
   53    HA2  GLY   9          2HA       GLY   9   5.558   3.360  -3.295
   54    HA3  GLY   9          1HA       GLY   9   6.205   1.726  -3.326
   55    H    CYS  10           HN       CYS  10   3.498   3.026  -3.712
   56    HA   CYS  10           HA       CYS  10   1.827   1.884  -1.677
   57    HB2  CYS  10          2HB       CYS  10   1.085   2.898  -4.431
   58    HB3  CYS  10          1HB       CYS  10  -0.047   2.495  -3.148
   59    H    SER  11           HN       SER  11   3.435   0.660  -4.369
   60    HA   SER  11           HA       SER  11   1.579  -1.516  -4.786
   61    HB2  SER  11          2HB       SER  11   2.765  -0.320  -6.692
   62    HB3  SER  11          1HB       SER  11   4.261  -1.054  -6.117
   63    HG   SER  11           HG       SER  11   3.657  -2.538  -7.475
   64    H    SER  12           HN       SER  12   3.617  -0.913  -2.392
   65    HA   SER  12           HA       SER  12   5.132  -3.350  -2.271
   66    HB2  SER  12          2HB       SER  12   5.577  -1.147  -0.944
   67    HB3  SER  12          1HB       SER  12   4.234  -1.703   0.069
   68    HG   SER  12           HG       SER  12   6.804  -2.648  -0.139
   69    H    ARG  13           HN       ARG  13   4.619  -5.022  -0.685
   70    HA   ARG  13           HA       ARG  13   2.063  -6.082  -1.258
   71    HB2  ARG  13          2HB       ARG  13   3.914  -7.587  -0.808
   72    HB3  ARG  13          1HB       ARG  13   4.026  -7.010   0.846
   73    HG2  ARG  13          2HG       ARG  13   1.838  -7.931   1.347
   74    HG3  ARG  13          1HG       ARG  13   1.655  -8.467  -0.321
   75    HD2  ARG  13          2HD       ARG  13   2.330 -10.314   1.109
   76    HD3  ARG  13          1HD       ARG  13   3.605  -9.924  -0.047
   77    HE   ARG  13           HE       ARG  13   3.978  -8.537   2.372
   78   HH11  ARG  13          1HH1      ARG  13   4.265 -11.782   1.025
   79   HH12  ARG  13          2HH1      ARG  13   5.577 -12.247   2.011
   80   HH21  ARG  13          1HH2      ARG  13   5.779  -9.179   3.756
   81   HH22  ARG  13          2HH2      ARG  13   6.428 -10.743   3.609
   82    H    TRP  14           HN       TRP  14   3.239  -4.437   1.535
   83    HA   TRP  14           HA       TRP  14   1.087  -4.839   3.312
   84    HB2  TRP  14          2HB       TRP  14   3.472  -3.579   3.518
   85    HB3  TRP  14          1HB       TRP  14   2.463  -2.178   3.199
   86    HD1  TRP  14          1HD       TRP  14   3.553  -4.475   5.896
   87    HE1  TRP  14          1HE       TRP  14   2.344  -3.917   8.121
   88    HE3  TRP  14          3HE       TRP  14   0.063  -1.226   4.137
   89    HZ2  TRP  14          2HZ       TRP  14   0.215  -2.318   8.983
   90    HZ3  TRP  14          3HZ       TRP  14  -1.503  -0.228   5.710
   91    HH2  TRP  14          2HH       TRP  14  -1.430  -0.762   8.094
   92    H    CYS  15           HN       CYS  15   1.562  -2.324   0.898
   93    HA   CYS  15           HA       CYS  15  -1.040  -1.285   1.450
   94    HB2  CYS  15          2HB       CYS  15   1.227  -0.534  -0.236
   95    HB3  CYS  15          1HB       CYS  15  -0.308   0.347  -0.259
   96    H    ARG  16           HN       ARG  16   0.354  -3.409  -0.723
   97    HA   ARG  16           HA       ARG  16  -1.624  -3.220  -2.765
   98    HB2  ARG  16          2HB       ARG  16   0.517  -4.348  -3.173
   99    HB3  ARG  16          1HB       ARG  16   0.157  -5.521  -1.922
  100    HG2  ARG  16          2HG       ARG  16  -0.121  -6.482  -4.138
  101    HG3  ARG  16          1HG       ARG  16  -1.657  -6.429  -3.277
  102    HD2  ARG  16          2HD       ARG  16  -1.915  -5.773  -5.609
  103    HD3  ARG  16          1HD       ARG  16  -2.298  -4.434  -4.529
  104    HE   ARG  16           HE       ARG  16   0.411  -4.499  -5.497
  105   HH11  ARG  16          1HH1      ARG  16  -2.860  -3.391  -6.196
  106   HH12  ARG  16          2HH1      ARG  16  -2.395  -2.075  -7.159
  107   HH21  ARG  16          1HH2      ARG  16   1.095  -2.666  -6.876
  108   HH22  ARG  16          2HH2      ARG  16  -0.085  -1.651  -7.535
  109    H    ASP  17           HN       ASP  17  -1.374  -4.782   0.310
  110    HA   ASP  17           HA       ASP  17  -3.836  -6.300  -0.130
  111    HB2  ASP  17          2HB       ASP  17  -1.632  -7.275   0.871
  112    HB3  ASP  17          1HB       ASP  17  -2.145  -6.458   2.326
  113    H    HIS  18           HN       HIS  18  -2.427  -3.986   2.199
  114    HA   HIS  18           HA       HIS  18  -4.988  -3.753   3.621
  115    HB2  HIS  18          2HB       HIS  18  -2.316  -2.528   4.370
  116    HB3  HIS  18          1HB       HIS  18  -3.689  -2.773   5.425
  117    HD1  HIS  18          1HD       HIS  18  -4.143  -5.809   4.984
  118    HD2  HIS  18          2HD       HIS  18  -0.424  -4.073   5.422
  119    HE1  HIS  18          1HE       HIS  18  -2.620  -7.648   5.771
  120    H    ALA  19           HN       ALA  19  -4.551  -2.604   1.023
  121    HA   ALA  19           HA       ALA  19  -3.786   0.068   0.911
  122    HB1  ALA  19          1HB       ALA  19  -5.815  -1.306  -0.818
  123    HB2  ALA  19          2HB       ALA  19  -4.060  -1.355  -1.024
  124    HB3  ALA  19          3HB       ALA  19  -4.925   0.174  -1.184
  125    H    ARG  20           HN       ARG  20  -4.664   1.872   1.529
  126    HA   ARG  20           HA       ARG  20  -7.561   1.995   2.026
  127    HB2  ARG  20          2HB       ARG  20  -5.475   3.968   2.994
  128    HB3  ARG  20          1HB       ARG  20  -7.186   3.977   3.391
  129    HG2  ARG  20          2HG       ARG  20  -6.857   1.768   4.499
  130    HG3  ARG  20          1HG       ARG  20  -5.128   1.973   4.224
  131    HD2  ARG  20          2HD       ARG  20  -5.539   2.729   6.440
  132    HD3  ARG  20          1HD       ARG  20  -5.300   4.162   5.442
  133    HE   ARG  20           HE       ARG  20  -8.034   3.581   5.553
  134   HH11  ARG  20          1HH1      ARG  20  -5.453   4.863   7.626
  135   HH12  ARG  20          2HH1      ARG  20  -6.509   5.646   8.695
  136   HH21  ARG  20          1HH2      ARG  20  -9.478   4.670   7.042
  137   HH22  ARG  20          2HH2      ARG  20  -8.853   5.552   8.351
  138    H    CYS  21           HN       CYS  21  -4.907   4.103   0.878
  139    HA   CYS  21           HA       CYS  21  -6.788   5.312  -1.009
  140    HB2  CYS  21          2HB       CYS  21  -3.973   6.180  -0.318
  141    HB3  CYS  21          1HB       CYS  21  -5.174   7.106  -1.208
  142    H    CYS  22           HN       CYS  22  -3.348   4.176  -0.939
  143    HA   CYS  22           HA       CYS  22  -3.724   3.108  -3.597
  144    HB2  CYS  22          2HB       CYS  22  -1.399   3.845  -4.064
  145    HB3  CYS  22          1HB       CYS  22  -2.514   5.166  -3.706
  146    HN1  NH2  23          1H        CYS  22  -3.637   0.979  -3.365
  147    HN2  NH2  23          2H        CYS  22  -2.611   0.103  -2.286
  Start of MODEL    2
    1    H1   ARG   1          1HT       ARG   1  -1.812   3.428   7.984
    2    H2   ARG   1          2HT       ARG   1  -1.512   2.003   8.792
    3    H3   ARG   1          3HT       ARG   1  -1.814   2.004   7.112
    4    HA   ARG   1           HA       ARG   1   0.456   3.330   8.436
    5    HB2  ARG   1          2HB       ARG   1   0.429   0.723   8.331
    6    HB3  ARG   1          1HB       ARG   1   0.555   0.931   6.595
    7    HG2  ARG   1          2HG       ARG   1   2.715   1.837   6.727
    8    HG3  ARG   1          1HG       ARG   1   2.573   2.179   8.451
    9    HD2  ARG   1          2HD       ARG   1   2.725  -0.548   7.174
   10    HD3  ARG   1          1HD       ARG   1   4.061   0.292   7.964
   11    HE   ARG   1           HE       ARG   1   1.704  -0.094   9.589
   12   HH11  ARG   1          1HH1      ARG   1   4.870  -1.391   8.729
   13   HH12  ARG   1          2HH1      ARG   1   4.956  -2.435  10.064
   14   HH21  ARG   1          1HH2      ARG   1   1.805  -1.533  11.395
   15   HH22  ARG   1          2HH2      ARG   1   3.158  -2.542  11.617
   16    H    GLY   2           HN       GLY   2   2.159   3.363   6.193
   17    HA2  GLY   2          2HA       GLY   2   1.111   5.576   4.819
   18    HA3  GLY   2          1HA       GLY   2   2.635   4.766   4.593
   19    H    CYS   3           HN       CYS   3  -0.602   3.854   4.174
   20    HA   CYS   3           HA       CYS   3   0.027   2.816   1.498
   21    HB2  CYS   3          2HB       CYS   3  -2.339   2.321   3.265
   22    HB3  CYS   3          1HB       CYS   3  -2.052   1.533   1.709
   23    H    CYS   4           HN       CYS   4  -0.728   5.528   2.591
   24    HA   CYS   4           HA       CYS   4  -2.070   6.289   0.091
   25    HB2  CYS   4          2HB       CYS   4  -2.121   7.893   2.681
   26    HB3  CYS   4          1HB       CYS   4  -2.925   8.314   1.191
   27    H    ASN   5           HN       ASN   5   0.181   7.082   2.632
   28    HA   ASN   5           HA       ASN   5   2.333   7.696   0.899
   29    HB2  ASN   5          2HB       ASN   5   1.028   9.840   0.923
   30    HB3  ASN   5          1HB       ASN   5   1.169   9.878   2.665
   31   HD21  ASN   5          1HD2      ASN   5   2.102  11.885   0.776
   32   HD22  ASN   5          2HD2      ASN   5   3.798  12.029   1.020
   33    H    GLY   6           HN       GLY   6   3.899   6.709   2.019
   34    HA2  GLY   6          2HA       GLY   6   5.020   7.310   4.353
   35    HA3  GLY   6          1HA       GLY   6   3.649   6.394   4.930
   36    H    ARG   7           HN       ARG   7   3.712   4.412   2.758
   37    HA   ARG   7           HA       ARG   7   5.967   2.964   3.743
   38    HB2  ARG   7          2HB       ARG   7   3.563   2.252   2.180
   39    HB3  ARG   7          1HB       ARG   7   4.946   1.165   2.064
   40    HG2  ARG   7          2HG       ARG   7   3.499   1.958   4.607
   41    HG3  ARG   7          1HG       ARG   7   3.199   0.474   3.706
   42    HD2  ARG   7          2HD       ARG   7   4.630  -0.012   5.585
   43    HD3  ARG   7          1HD       ARG   7   5.549  -0.227   4.130
   44    HE   ARG   7           HE       ARG   7   5.707   2.399   5.294
   45   HH11  ARG   7          1HH1      ARG   7   7.236  -0.781   5.150
   46   HH12  ARG   7          2HH1      ARG   7   8.759  -0.282   5.703
   47   HH21  ARG   7          1HH2      ARG   7   7.892   3.156   6.030
   48   HH22  ARG   7          2HH2      ARG   7   9.137   2.014   6.171
   49    H    GLY   8           HN       GLY   8   7.140   1.559   1.945
   50    HA2  GLY   8          2HA       GLY   8   8.510   3.535   0.349
   51    HA3  GLY   8          1HA       GLY   8   8.950   1.844   0.546
   52    H    GLY   9           HN       GLY   9   6.269   3.669  -0.733
   53    HA2  GLY   9          2HA       GLY   9   5.580   3.760  -2.973
   54    HA3  GLY   9          1HA       GLY   9   6.524   2.323  -3.312
   55    H    CYS  10           HN       CYS  10   3.641   3.063  -3.680
   56    HA   CYS  10           HA       CYS  10   2.180   1.335  -1.931
   57    HB2  CYS  10          2HB       CYS  10   1.328   2.649  -4.506
   58    HB3  CYS  10          1HB       CYS  10   0.255   1.888  -3.333
   59    H    SER  11           HN       SER  11   4.097   0.757  -4.608
   60    HA   SER  11           HA       SER  11   2.736  -1.389  -5.843
   61    HB2  SER  11          2HB       SER  11   4.654  -0.191  -6.890
   62    HB3  SER  11          1HB       SER  11   5.726  -0.871  -5.672
   63    HG   SER  11           HG       SER  11   4.945  -2.986  -6.524
   64    H    SER  12           HN       SER  12   4.498  -1.099  -2.875
   65    HA   SER  12           HA       SER  12   5.310  -3.667  -2.364
   66    HB2  SER  12          2HB       SER  12   4.292  -1.563  -0.466
   67    HB3  SER  12          1HB       SER  12   5.438  -2.868  -0.140
   68    HG   SER  12           HG       SER  12   5.876  -0.424  -1.227
   69    H    ARG  13           HN       ARG  13   4.222  -5.433  -1.720
   70    HA   ARG  13           HA       ARG  13   1.483  -5.709  -2.160
   71    HB2  ARG  13          2HB       ARG  13   3.334  -7.538  -0.632
   72    HB3  ARG  13          1HB       ARG  13   1.701  -7.956  -1.120
   73    HG2  ARG  13          2HG       ARG  13   4.043  -7.376  -2.934
   74    HG3  ARG  13          1HG       ARG  13   3.282  -8.942  -2.651
   75    HD2  ARG  13          2HD       ARG  13   2.096  -6.539  -4.046
   76    HD3  ARG  13          1HD       ARG  13   2.487  -8.105  -4.750
   77    HE   ARG  13           HE       ARG  13   0.730  -8.765  -2.842
   78   HH11  ARG  13          1HH1      ARG  13   0.558  -6.423  -5.515
   79   HH12  ARG  13          2HH1      ARG  13  -1.144  -6.433  -5.562
   80   HH21  ARG  13          1HH2      ARG  13  -1.558  -8.714  -2.904
   81   HH22  ARG  13          2HH2      ARG  13  -2.396  -7.754  -4.027
   82    H    TRP  14           HN       TRP  14   3.159  -4.895   0.731
   83    HA   TRP  14           HA       TRP  14   1.308  -5.375   2.790
   84    HB2  TRP  14          2HB       TRP  14   3.731  -4.250   2.781
   85    HB3  TRP  14          1HB       TRP  14   2.820  -2.761   2.608
   86    HD1  TRP  14          1HD       TRP  14   4.251  -4.943   5.092
   87    HE1  TRP  14          1HE       TRP  14   3.309  -4.523   7.475
   88    HE3  TRP  14          3HE       TRP  14   0.362  -1.887   3.904
   89    HZ2  TRP  14          2HZ       TRP  14   1.236  -3.069   8.653
   90    HZ3  TRP  14          3HZ       TRP  14  -1.028  -1.006   5.708
   91    HH2  TRP  14          2HH       TRP  14  -0.598  -1.582   8.040
   92    H    CYS  15           HN       CYS  15   1.644  -2.411   0.952
   93    HA   CYS  15           HA       CYS  15  -0.795  -1.400   1.938
   94    HB2  CYS  15          2HB       CYS  15   1.273  -0.578   0.085
   95    HB3  CYS  15          1HB       CYS  15  -0.213   0.363   0.201
   96    H    ARG  16           HN       ARG  16  -0.000  -3.347  -0.579
   97    HA   ARG  16           HA       ARG  16  -2.302  -2.636  -2.183
   98    HB2  ARG  16          2HB       ARG  16  -0.645  -5.156  -2.267
   99    HB3  ARG  16          1HB       ARG  16  -1.909  -4.748  -3.414
  100    HG2  ARG  16          2HG       ARG  16   0.650  -3.226  -2.975
  101    HG3  ARG  16          1HG       ARG  16   0.271  -4.294  -4.328
  102    HD2  ARG  16          2HD       ARG  16  -1.150  -1.717  -3.637
  103    HD3  ARG  16          1HD       ARG  16  -0.006  -1.952  -4.949
  104    HE   ARG  16           HE       ARG  16  -1.970  -3.816  -5.358
  105   HH11  ARG  16          1HH1      ARG  16  -1.820  -0.294  -5.168
  106   HH12  ARG  16          2HH1      ARG  16  -3.157  -0.042  -6.186
  107   HH21  ARG  16          1HH2      ARG  16  -3.751  -3.499  -6.736
  108   HH22  ARG  16          2HH2      ARG  16  -4.299  -1.936  -7.126
  109    H    ASP  17           HN       ASP  17  -1.614  -4.909   0.365
  110    HA   ASP  17           HA       ASP  17  -4.247  -6.162   0.132
  111    HB2  ASP  17          2HB       ASP  17  -2.034  -7.420   0.714
  112    HB3  ASP  17          1HB       ASP  17  -2.210  -6.656   2.261
  113    H    HIS  18           HN       HIS  18  -2.448  -4.059   2.266
  114    HA   HIS  18           HA       HIS  18  -4.770  -3.804   4.063
  115    HB2  HIS  18          2HB       HIS  18  -1.940  -2.859   4.588
  116    HB3  HIS  18          1HB       HIS  18  -3.200  -3.150   5.768
  117    HD1  HIS  18          1HD       HIS  18  -3.809  -6.192   4.838
  118    HD2  HIS  18          2HD       HIS  18  -0.066  -4.550   5.496
  119    HE1  HIS  18          1HE       HIS  18  -2.305  -8.111   5.356
  120    H    ALA  19           HN       ALA  19  -4.756  -2.630   1.593
  121    HA   ALA  19           HA       ALA  19  -3.607  -0.103   1.325
  122    HB1  ALA  19          1HB       ALA  19  -5.025   0.189  -0.593
  123    HB2  ALA  19          2HB       ALA  19  -6.049  -1.149  -0.069
  124    HB3  ALA  19          3HB       ALA  19  -4.380  -1.453  -0.553
  125    H    ARG  20           HN       ARG  20  -4.216   1.839   1.672
  126    HA   ARG  20           HA       ARG  20  -6.791   2.356   2.969
  127    HB2  ARG  20          2HB       ARG  20  -4.227   3.955   3.029
  128    HB3  ARG  20          1HB       ARG  20  -5.741   4.512   3.708
  129    HG2  ARG  20          2HG       ARG  20  -4.149   2.120   4.603
  130    HG3  ARG  20          1HG       ARG  20  -4.282   3.664   5.445
  131    HD2  ARG  20          2HD       ARG  20  -6.459   1.623   4.976
  132    HD3  ARG  20          1HD       ARG  20  -5.744   2.095   6.513
  133    HE   ARG  20           HE       ARG  20  -7.028   4.228   5.043
  134   HH11  ARG  20          1HH1      ARG  20  -7.366   1.848   7.641
  135   HH12  ARG  20          2HH1      ARG  20  -8.792   2.542   8.250
  136   HH21  ARG  20          1HH2      ARG  20  -8.943   5.143   5.870
  137   HH22  ARG  20          2HH2      ARG  20  -9.715   4.470   7.244
  138    H    CYS  21           HN       CYS  21  -4.448   3.954   0.758
  139    HA   CYS  21           HA       CYS  21  -6.772   4.995  -0.696
  140    HB2  CYS  21          2HB       CYS  21  -4.012   6.222  -0.516
  141    HB3  CYS  21          1HB       CYS  21  -5.409   6.909  -1.334
  142    H    CYS  22           HN       CYS  22  -3.299   4.129  -1.206
  143    HA   CYS  22           HA       CYS  22  -3.949   3.560  -3.970
  144    HB2  CYS  22          2HB       CYS  22  -1.396   3.319  -4.114
  145    HB3  CYS  22          1HB       CYS  22  -2.040   4.921  -3.777
  146    HN1  NH2  23          1H        CYS  22  -5.202   1.693  -3.359
  147    HN2  NH2  23          2H        CYS  22  -4.399   0.179  -3.126
  Start of MODEL    3
    1    H1   ARG   1          1HT       ARG   1   2.104   2.605   8.070
    2    H2   ARG   1          2HT       ARG   1   1.072   1.901   9.182
    3    H3   ARG   1          3HT       ARG   1   0.946   3.547   8.827
    4    HA   ARG   1           HA       ARG   1   0.545   1.361   6.901
    5    HB2  ARG   1          2HB       ARG   1  -1.887   1.972   6.959
    6    HB3  ARG   1          1HB       ARG   1  -1.276   1.153   8.377
    7    HG2  ARG   1          2HG       ARG   1  -1.199   3.306   9.559
    8    HG3  ARG   1          1HG       ARG   1  -1.871   4.095   8.123
    9    HD2  ARG   1          2HD       ARG   1  -3.580   3.533   9.831
   10    HD3  ARG   1          1HD       ARG   1  -3.864   2.753   8.271
   11    HE   ARG   1           HE       ARG   1  -2.354   1.241  10.209
   12   HH11  ARG   1          1HH1      ARG   1  -5.580   1.881   8.918
   13   HH12  ARG   1          2HH1      ARG   1  -6.198   0.343   9.293
   14   HH21  ARG   1          1HH2      ARG   1  -3.217  -0.890  10.744
   15   HH22  ARG   1          2HH2      ARG   1  -4.815  -1.275  10.353
   16    H    GLY   2           HN       GLY   2   2.132   2.885   5.833
   17    HA2  GLY   2          2HA       GLY   2   1.161   5.419   4.883
   18    HA3  GLY   2          1HA       GLY   2   2.680   4.654   4.540
   19    H    CYS   3           HN       CYS   3  -0.578   3.740   3.976
   20    HA   CYS   3           HA       CYS   3   0.145   3.062   1.210
   21    HB2  CYS   3          2HB       CYS   3  -2.395   2.445   2.703
   22    HB3  CYS   3          1HB       CYS   3  -2.014   1.930   1.066
   23    H    CYS   4           HN       CYS   4  -0.630   5.652   2.587
   24    HA   CYS   4           HA       CYS   4  -1.930   6.677   0.169
   25    HB2  CYS   4          2HB       CYS   4  -2.046   8.097   2.850
   26    HB3  CYS   4          1HB       CYS   4  -3.074   8.336   1.449
   27    H    ASN   5           HN       ASN   5   0.336   7.033   2.786
   28    HA   ASN   5           HA       ASN   5   2.459   7.997   1.176
   29    HB2  ASN   5          2HB       ASN   5   1.116  10.058   1.548
   30    HB3  ASN   5          1HB       ASN   5   1.267   9.812   3.277
   31   HD21  ASN   5          1HD2      ASN   5   3.261  10.142   4.281
   32   HD22  ASN   5          2HD2      ASN   5   4.550  10.994   3.512
   33    H    GLY   6           HN       GLY   6   3.994   6.625   2.098
   34    HA2  GLY   6          2HA       GLY   6   5.272   7.068   4.386
   35    HA3  GLY   6          1HA       GLY   6   3.877   6.214   4.999
   36    H    ARG   7           HN       ARG   7   3.901   4.392   2.518
   37    HA   ARG   7           HA       ARG   7   5.969   2.623   3.523
   38    HB2  ARG   7          2HB       ARG   7   3.778   2.272   1.470
   39    HB3  ARG   7          1HB       ARG   7   4.978   1.046   1.802
   40    HG2  ARG   7          2HG       ARG   7   2.995   2.131   3.803
   41    HG3  ARG   7          1HG       ARG   7   2.806   0.631   2.904
   42    HD2  ARG   7          2HD       ARG   7   4.973   1.249   4.927
   43    HD3  ARG   7          1HD       ARG   7   3.582   0.191   5.156
   44    HE   ARG   7           HE       ARG   7   5.308  -0.550   2.979
   45   HH11  ARG   7          1HH1      ARG   7   4.591  -0.954   6.416
   46   HH12  ARG   7          2HH1      ARG   7   5.427  -2.434   6.559
   47   HH21  ARG   7          1HH2      ARG   7   6.466  -2.577   3.180
   48   HH22  ARG   7          2HH2      ARG   7   6.533  -3.370   4.686
   49    H    GLY   8           HN       GLY   8   6.992   1.329   1.460
   50    HA2  GLY   8          2HA       GLY   8   8.515   3.354   0.074
   51    HA3  GLY   8          1HA       GLY   8   8.758   1.613  -0.015
   52    H    GLY   9           HN       GLY   9   6.023   3.707  -0.720
   53    HA2  GLY   9          2HA       GLY   9   5.161   4.180  -2.883
   54    HA3  GLY   9          1HA       GLY   9   6.034   2.775  -3.494
   55    H    CYS  10           HN       CYS  10   3.495   2.954  -4.231
   56    HA   CYS  10           HA       CYS  10   1.696   1.621  -2.400
   57    HB2  CYS  10          2HB       CYS  10   1.380   2.171  -5.350
   58    HB3  CYS  10          1HB       CYS  10   0.116   1.653  -4.253
   59    H    SER  11           HN       SER  11   4.170   0.634  -4.491
   60    HA   SER  11           HA       SER  11   3.232  -1.688  -5.595
   61    HB2  SER  11          2HB       SER  11   5.999  -0.832  -4.838
   62    HB3  SER  11          1HB       SER  11   5.474  -1.835  -6.191
   63    HG   SER  11           HG       SER  11   4.857  -0.150  -7.273
   64    H    SER  12           HN       SER  12   4.053  -0.894  -2.320
   65    HA   SER  12           HA       SER  12   5.353  -3.210  -1.477
   66    HB2  SER  12          2HB       SER  12   4.669  -2.232   0.736
   67    HB3  SER  12          1HB       SER  12   5.602  -1.153  -0.309
   68    HG   SER  12           HG       SER  12   3.906   0.146  -0.446
   69    H    ARG  13           HN       ARG  13   4.498  -5.064  -0.537
   70    HA   ARG  13           HA       ARG  13   1.964  -5.928  -1.344
   71    HB2  ARG  13          2HB       ARG  13   3.784  -7.489  -0.877
   72    HB3  ARG  13          1HB       ARG  13   3.723  -7.077   0.828
   73    HG2  ARG  13          2HG       ARG  13   1.596  -8.108   1.095
   74    HG3  ARG  13          1HG       ARG  13   1.397  -8.293  -0.647
   75    HD2  ARG  13          2HD       ARG  13   2.003 -10.407   0.436
   76    HD3  ARG  13          1HD       ARG  13   3.228  -9.882  -0.711
   77    HE   ARG  13           HE       ARG  13   3.772  -9.051   1.973
   78   HH11  ARG  13          1HH1      ARG  13   4.021 -11.795  -0.227
   79   HH12  ARG  13          2HH1      ARG  13   5.379 -12.470   0.534
   80   HH21  ARG  13          1HH2      ARG  13   5.629  -9.967   3.026
   81   HH22  ARG  13          2HH2      ARG  13   6.313 -11.415   2.432
   82    H    TRP  14           HN       TRP  14   2.973  -4.366   1.548
   83    HA   TRP  14           HA       TRP  14   0.767  -4.813   3.249
   84    HB2  TRP  14          2HB       TRP  14   3.096  -3.485   3.563
   85    HB3  TRP  14          1HB       TRP  14   2.085  -2.118   3.136
   86    HD1  TRP  14          1HD       TRP  14   3.160  -4.177   5.984
   87    HE1  TRP  14          1HE       TRP  14   1.837  -3.583   8.126
   88    HE3  TRP  14          3HE       TRP  14  -0.510  -1.308   3.922
   89    HZ2  TRP  14          2HZ       TRP  14  -0.424  -2.110   8.826
   90    HZ3  TRP  14          3HZ       TRP  14  -2.208  -0.344   5.392
   91    HH2  TRP  14          2HH       TRP  14  -2.167  -0.740   7.802
   92    H    CYS  15           HN       CYS  15   1.370  -2.319   0.859
   93    HA   CYS  15           HA       CYS  15  -1.192  -1.162   1.221
   94    HB2  CYS  15          2HB       CYS  15   1.092  -0.733  -0.558
   95    HB3  CYS  15          1HB       CYS  15  -0.377   0.261  -0.589
   96    H    ARG  16           HN       ARG  16   0.085  -3.618  -0.673
   97    HA   ARG  16           HA       ARG  16  -1.888  -3.375  -2.749
   98    HB2  ARG  16          2HB       ARG  16  -0.408  -5.867  -1.907
   99    HB3  ARG  16          1HB       ARG  16  -1.352  -5.705  -3.379
  100    HG2  ARG  16          2HG       ARG  16   1.329  -4.549  -2.689
  101    HG3  ARG  16          1HG       ARG  16   0.867  -5.550  -4.065
  102    HD2  ARG  16          2HD       ARG  16   0.195  -2.667  -3.562
  103    HD3  ARG  16          1HD       ARG  16   1.264  -3.303  -4.799
  104    HE   ARG  16           HE       ARG  16  -1.020  -4.453  -5.482
  105   HH11  ARG  16          1HH1      ARG  16  -0.257  -1.116  -4.606
  106   HH12  ARG  16          2HH1      ARG  16  -1.587  -0.450  -5.464
  107   HH21  ARG  16          1HH2      ARG  16  -2.841  -3.511  -6.651
  108   HH22  ARG  16          2HH2      ARG  16  -3.075  -1.825  -6.603
  109    H    ASP  17           HN       ASP  17  -1.585  -5.124   0.271
  110    HA   ASP  17           HA       ASP  17  -4.157  -6.429  -0.085
  111    HB2  ASP  17          2HB       ASP  17  -2.068  -7.439   1.100
  112    HB3  ASP  17          1HB       ASP  17  -2.515  -6.387   2.410
  113    H    HIS  18           HN       HIS  18  -2.692  -4.132   2.214
  114    HA   HIS  18           HA       HIS  18  -5.297  -3.724   3.480
  115    HB2  HIS  18          2HB       HIS  18  -2.599  -2.727   4.415
  116    HB3  HIS  18          1HB       HIS  18  -4.073  -2.828   5.349
  117    HD1  HIS  18          1HD       HIS  18  -4.485  -6.021   4.392
  118    HD2  HIS  18          2HD       HIS  18  -1.181  -4.235   6.171
  119    HE1  HIS  18          1HE       HIS  18  -3.247  -7.851   5.507
  120    H    ALA  19           HN       ALA  19  -4.677  -2.636   0.942
  121    HA   ALA  19           HA       ALA  19  -3.784  -0.016   0.833
  122    HB1  ALA  19          1HB       ALA  19  -4.249  -1.378  -1.133
  123    HB2  ALA  19          2HB       ALA  19  -5.023   0.203  -1.209
  124    HB3  ALA  19          3HB       ALA  19  -5.985  -1.231  -0.824
  125    H    ARG  20           HN       ARG  20  -4.477   1.473   2.210
  126    HA   ARG  20           HA       ARG  20  -7.288   1.831   2.784
  127    HB2  ARG  20          2HB       ARG  20  -5.513   2.254   4.488
  128    HB3  ARG  20          1HB       ARG  20  -4.965   3.613   3.517
  129    HG2  ARG  20          2HG       ARG  20  -7.103   4.717   3.803
  130    HG3  ARG  20          1HG       ARG  20  -7.708   3.338   4.724
  131    HD2  ARG  20          2HD       ARG  20  -7.020   5.129   6.218
  132    HD3  ARG  20          1HD       ARG  20  -5.977   3.721   6.411
  133    HE   ARG  20           HE       ARG  20  -4.934   5.496   4.515
  134   HH11  ARG  20          1HH1      ARG  20  -5.370   5.173   8.026
  135   HH12  ARG  20          2HH1      ARG  20  -3.996   6.088   8.438
  136   HH21  ARG  20          1HH2      ARG  20  -2.999   6.765   5.121
  137   HH22  ARG  20          2HH2      ARG  20  -2.608   6.968   6.757
  138    H    CYS  21           HN       CYS  21  -4.802   3.262   0.815
  139    HA   CYS  21           HA       CYS  21  -6.847   4.907  -0.502
  140    HB2  CYS  21          2HB       CYS  21  -3.985   5.757   0.016
  141    HB3  CYS  21          1HB       CYS  21  -5.233   6.713  -0.769
  142    H    CYS  22           HN       CYS  22  -3.395   4.009  -0.863
  143    HA   CYS  22           HA       CYS  22  -3.933   3.154  -3.602
  144    HB2  CYS  22          2HB       CYS  22  -2.853   5.362  -3.509
  145    HB3  CYS  22          1HB       CYS  22  -1.601   4.716  -2.465
  146    HN1  NH2  23          1H        CYS  22  -3.812   0.990  -3.325
  147    HN2  NH2  23          2H        CYS  22  -2.579   0.133  -2.473
  Start of MODEL    4
    1    H1   ARG   1          1HT       ARG   1   1.847   3.401   8.793
    2    H2   ARG   1          2HT       ARG   1   0.807   2.490   9.732
    3    H3   ARG   1          3HT       ARG   1   0.439   4.089   9.345
    4    HA   ARG   1           HA       ARG   1   0.748   1.978   7.335
    5    HB2  ARG   1          2HB       ARG   1  -1.728   2.024   7.098
    6    HB3  ARG   1          1HB       ARG   1  -1.196   1.382   8.638
    7    HG2  ARG   1          2HG       ARG   1  -1.667   3.684   9.612
    8    HG3  ARG   1          1HG       ARG   1  -2.426   4.064   8.074
    9    HD2  ARG   1          2HD       ARG   1  -4.050   3.350   9.750
   10    HD3  ARG   1          1HD       ARG   1  -4.018   2.260   8.359
   11    HE   ARG   1           HE       ARG   1  -2.384   0.971   9.974
   12   HH11  ARG   1          1HH1      ARG   1  -5.424   2.549  10.869
   13   HH12  ARG   1          2HH1      ARG   1  -5.783   1.444  12.114
   14   HH21  ARG   1          1HH2      ARG   1  -2.889  -0.553  11.561
   15   HH22  ARG   1          2HH2      ARG   1  -4.300  -0.415  12.511
   16    H    GLY   2           HN       GLY   2   1.678   3.052   5.708
   17    HA2  GLY   2          2HA       GLY   2   0.466   5.612   5.030
   18    HA3  GLY   2          1HA       GLY   2   2.159   5.244   4.813
   19    H    CYS   3           HN       CYS   3  -0.898   3.895   3.929
   20    HA   CYS   3           HA       CYS   3   0.214   3.293   1.306
   21    HB2  CYS   3          2HB       CYS   3  -2.404   2.460   2.544
   22    HB3  CYS   3          1HB       CYS   3  -1.891   2.022   0.911
   23    H    CYS   4           HN       CYS   4  -1.141   5.773   2.720
   24    HA   CYS   4           HA       CYS   4  -2.050   6.821   0.148
   25    HB2  CYS   4          2HB       CYS   4  -2.258   8.091   2.897
   26    HB3  CYS   4          1HB       CYS   4  -2.971   8.716   1.410
   27    H    ASN   5           HN       ASN   5   0.248   7.088   2.743
   28    HA   ASN   5           HA       ASN   5   2.389   7.861   1.146
   29    HB2  ASN   5          2HB       ASN   5   1.031  10.008   1.276
   30    HB3  ASN   5          1HB       ASN   5   1.388  10.036   2.992
   31   HD21  ASN   5          1HD2      ASN   5   2.688  10.465  -0.186
   32   HD22  ASN   5          2HD2      ASN   5   4.206  11.106   0.296
   33    H    GLY   6           HN       GLY   6   3.963   6.848   2.256
   34    HA2  GLY   6          2HA       GLY   6   5.316   7.052   4.361
   35    HA3  GLY   6          1HA       GLY   6   3.798   6.847   5.211
   36    H    ARG   7           HN       ARG   7   5.131   5.052   2.438
   37    HA   ARG   7           HA       ARG   7   5.841   2.786   3.977
   38    HB2  ARG   7          2HB       ARG   7   3.361   2.437   3.853
   39    HB3  ARG   7          1HB       ARG   7   3.418   2.609   2.114
   40    HG2  ARG   7          2HG       ARG   7   3.141   0.282   2.733
   41    HG3  ARG   7          1HG       ARG   7   4.703   0.512   1.959
   42    HD2  ARG   7          2HD       ARG   7   4.943  -0.977   3.845
   43    HD3  ARG   7          1HD       ARG   7   5.762   0.540   4.207
   44    HE   ARG   7           HE       ARG   7   3.141   0.594   5.206
   45   HH11  ARG   7          1HH1      ARG   7   6.237  -1.037   5.823
   46   HH12  ARG   7          2HH1      ARG   7   5.970  -1.207   7.487
   47   HH21  ARG   7          1HH2      ARG   7   2.747   0.244   7.550
   48   HH22  ARG   7          2HH2      ARG   7   3.947  -0.514   8.458
   49    H    GLY   8           HN       GLY   8   6.588   1.051   2.200
   50    HA2  GLY   8          2HA       GLY   8   8.269   2.399   0.364
   51    HA3  GLY   8          1HA       GLY   8   8.065   0.663   0.515
   52    H    GLY   9           HN       GLY   9   6.290   3.484  -0.615
   53    HA2  GLY   9          2HA       GLY   9   5.426   3.926  -2.698
   54    HA3  GLY   9          1HA       GLY   9   6.011   2.354  -3.222
   55    H    CYS  10           HN       CYS  10   3.815   2.756  -4.274
   56    HA   CYS  10           HA       CYS  10   1.629   1.776  -2.618
   57    HB2  CYS  10          2HB       CYS  10   1.028   3.533  -4.193
   58    HB3  CYS  10          1HB       CYS  10   1.747   2.618  -5.512
   59    H    SER  11           HN       SER  11   3.796   0.851  -5.106
   60    HA   SER  11           HA       SER  11   2.483  -1.683  -5.456
   61    HB2  SER  11          2HB       SER  11   3.510  -0.467  -7.424
   62    HB3  SER  11          1HB       SER  11   5.089  -0.759  -6.699
   63    HG   SER  11           HG       SER  11   5.042  -2.599  -7.615
   64    H    SER  12           HN       SER  12   2.670  -2.249  -3.348
   65    HA   SER  12           HA       SER  12   5.085  -3.684  -2.735
   66    HB2  SER  12          2HB       SER  12   5.262  -1.422  -1.615
   67    HB3  SER  12          1HB       SER  12   3.742  -1.794  -0.795
   68    HG   SER  12           HG       SER  12   6.269  -2.655  -0.280
   69    H    ARG  13           HN       ARG  13   4.488  -5.114  -0.881
   70    HA   ARG  13           HA       ARG  13   2.013  -6.398  -1.584
   71    HB2  ARG  13          2HB       ARG  13   4.113  -7.620  -0.990
   72    HB3  ARG  13          1HB       ARG  13   3.901  -7.082   0.668
   73    HG2  ARG  13          2HG       ARG  13   1.769  -8.264   0.770
   74    HG3  ARG  13          1HG       ARG  13   2.017  -8.828  -0.883
   75    HD2  ARG  13          2HD       ARG  13   4.153  -9.871  -0.120
   76    HD3  ARG  13          1HD       ARG  13   3.694  -9.450   1.532
   77    HE   ARG  13           HE       ARG  13   1.710 -10.875   0.068
   78   HH11  ARG  13          1HH1      ARG  13   4.461 -11.217   2.287
   79   HH12  ARG  13          2HH1      ARG  13   4.054 -12.803   2.754
   80   HH21  ARG  13          1HH2      ARG  13   1.192 -13.062   0.694
   81   HH22  ARG  13          2HH2      ARG  13   2.150 -13.875   1.825
   82    H    TRP  14           HN       TRP  14   3.253  -4.603   1.129
   83    HA   TRP  14           HA       TRP  14   1.154  -5.002   2.982
   84    HB2  TRP  14          2HB       TRP  14   3.546  -3.851   3.202
   85    HB3  TRP  14          1HB       TRP  14   2.647  -2.397   2.808
   86    HD1  TRP  14          1HD       TRP  14   3.480  -4.728   5.600
   87    HE1  TRP  14          1HE       TRP  14   2.354  -3.943   7.781
   88    HE3  TRP  14          3HE       TRP  14   0.383  -1.145   3.697
   89    HZ2  TRP  14          2HZ       TRP  14   0.431  -2.090   8.577
   90    HZ3  TRP  14          3HZ       TRP  14  -1.062   0.080   5.240
   91    HH2  TRP  14          2HH       TRP  14  -1.038  -0.389   7.635
   92    H    CYS  15           HN       CYS  15   1.652  -2.314   0.773
   93    HA   CYS  15           HA       CYS  15  -0.872  -1.187   1.356
   94    HB2  CYS  15          2HB       CYS  15   1.272  -0.716  -0.547
   95    HB3  CYS  15          1HB       CYS  15  -0.235   0.201  -0.633
   96    H    ARG  16           HN       ARG  16   0.063  -3.592  -0.687
   97    HA   ARG  16           HA       ARG  16  -2.123  -3.217  -2.555
   98    HB2  ARG  16          2HB       ARG  16   0.027  -4.406  -3.100
   99    HB3  ARG  16          1HB       ARG  16  -0.518  -5.715  -2.072
  100    HG2  ARG  16          2HG       ARG  16  -2.406  -6.112  -3.538
  101    HG3  ARG  16          1HG       ARG  16  -1.916  -4.749  -4.556
  102    HD2  ARG  16          2HD       ARG  16  -0.343  -7.256  -4.021
  103    HD3  ARG  16          1HD       ARG  16  -1.132  -6.815  -5.536
  104    HE   ARG  16           HE       ARG  16   0.416  -4.899  -5.624
  105   HH11  ARG  16          1HH1      ARG  16   1.375  -7.731  -3.665
  106   HH12  ARG  16          2HH1      ARG  16   3.032  -7.441  -3.813
  107   HH21  ARG  16          1HH2      ARG  16   2.751  -4.558  -5.853
  108   HH22  ARG  16          2HH2      ARG  16   3.837  -5.618  -5.100
  109    H    ASP  17           HN       ASP  17  -1.432  -5.191   0.266
  110    HA   ASP  17           HA       ASP  17  -4.040  -6.475   0.141
  111    HB2  ASP  17          2HB       ASP  17  -1.816  -7.562   0.968
  112    HB3  ASP  17          1HB       ASP  17  -2.122  -6.659   2.430
  113    H    HIS  18           HN       HIS  18  -2.318  -4.198   2.221
  114    HA   HIS  18           HA       HIS  18  -4.683  -3.846   3.933
  115    HB2  HIS  18          2HB       HIS  18  -1.892  -2.763   4.397
  116    HB3  HIS  18          1HB       HIS  18  -3.168  -2.979   5.580
  117    HD1  HIS  18          1HD       HIS  18  -3.826  -5.921   5.299
  118    HD2  HIS  18          2HD       HIS  18   0.032  -4.460   5.073
  119    HE1  HIS  18          1HE       HIS  18  -2.322  -7.882   5.780
  120    H    ALA  19           HN       ALA  19  -4.517  -2.751   1.314
  121    HA   ALA  19           HA       ALA  19  -3.545  -0.186   0.987
  122    HB1  ALA  19          1HB       ALA  19  -4.366  -1.635  -0.814
  123    HB2  ALA  19          2HB       ALA  19  -5.009   0.004  -0.895
  124    HB3  ALA  19          3HB       ALA  19  -6.021  -1.309  -0.290
  125    H    ARG  20           HN       ARG  20  -4.111   1.733   1.522
  126    HA   ARG  20           HA       ARG  20  -6.707   2.213   2.825
  127    HB2  ARG  20          2HB       ARG  20  -4.691   2.731   4.203
  128    HB3  ARG  20          1HB       ARG  20  -4.184   3.890   2.985
  129    HG2  ARG  20          2HG       ARG  20  -5.211   4.991   4.896
  130    HG3  ARG  20          1HG       ARG  20  -6.163   5.237   3.432
  131    HD2  ARG  20          2HD       ARG  20  -7.703   3.492   4.121
  132    HD3  ARG  20          1HD       ARG  20  -6.739   3.181   5.569
  133    HE   ARG  20           HE       ARG  20  -7.374   5.832   5.614
  134   HH11  ARG  20          1HH1      ARG  20  -9.217   2.811   5.531
  135   HH12  ARG  20          2HH1      ARG  20 -10.520   3.390   6.464
  136   HH21  ARG  20          1HH2      ARG  20  -9.177   6.641   6.931
  137   HH22  ARG  20          2HH2      ARG  20 -10.502   5.628   7.254
  138    H    CYS  21           HN       CYS  21  -4.341   4.007   0.818
  139    HA   CYS  21           HA       CYS  21  -6.631   4.971  -0.722
  140    HB2  CYS  21          2HB       CYS  21  -3.836   6.133  -0.524
  141    HB3  CYS  21          1HB       CYS  21  -5.113   6.769  -1.550
  142    H    CYS  22           HN       CYS  22  -3.158   4.276  -1.316
  143    HA   CYS  22           HA       CYS  22  -4.022   2.967  -3.765
  144    HB2  CYS  22          2HB       CYS  22  -2.496   5.017  -3.920
  145    HB3  CYS  22          1HB       CYS  22  -1.265   4.052  -3.116
  146    HN1  NH2  23          1H        CYS  22  -4.220   0.899  -3.251
  147    HN2  NH2  23          2H        CYS  22  -3.134  -0.031  -2.275
  Start of MODEL    5
    1    H1   ARG   1          1HT       ARG   1   1.277   3.712   8.644
    2    H2   ARG   1          2HT       ARG   1   0.252   2.828   9.586
    3    H3   ARG   1          3HT       ARG   1  -0.265   4.290   8.887
    4    HA   ARG   1           HA       ARG   1   0.464   1.838   7.400
    5    HB2  ARG   1          2HB       ARG   1  -2.204   3.215   7.555
    6    HB3  ARG   1          1HB       ARG   1  -1.844   1.693   6.773
    7    HG2  ARG   1          2HG       ARG   1  -1.550   0.592   8.876
    8    HG3  ARG   1          1HG       ARG   1  -1.636   2.131   9.737
    9    HD2  ARG   1          2HD       ARG   1  -3.843   0.841   8.154
   10    HD3  ARG   1          1HD       ARG   1  -3.761   1.020   9.914
   11    HE   ARG   1           HE       ARG   1  -3.461   3.506   8.674
   12   HH11  ARG   1          1HH1      ARG   1  -5.957   1.132   9.467
   13   HH12  ARG   1          2HH1      ARG   1  -7.239   2.260   9.406
   14   HH21  ARG   1          1HH2      ARG   1  -5.200   5.025   8.531
   15   HH22  ARG   1          2HH2      ARG   1  -6.806   4.548   8.840
   16    H    GLY   2           HN       GLY   2   1.986   3.301   6.216
   17    HA2  GLY   2          2HA       GLY   2   0.924   5.657   4.956
   18    HA3  GLY   2          1HA       GLY   2   2.549   5.014   4.826
   19    H    CYS   3           HN       CYS   3  -0.595   3.921   4.086
   20    HA   CYS   3           HA       CYS   3   0.306   2.936   1.460
   21    HB2  CYS   3          2HB       CYS   3  -2.295   2.506   2.907
   22    HB3  CYS   3          1HB       CYS   3  -1.753   1.646   1.458
   23    H    CYS   4           HN       CYS   4  -0.425   5.578   2.537
   24    HA   CYS   4           HA       CYS   4  -1.847   6.576   0.187
   25    HB2  CYS   4          2HB       CYS   4  -1.807   7.813   2.957
   26    HB3  CYS   4          1HB       CYS   4  -2.768   8.370   1.588
   27    H    ASN   5           HN       ASN   5   0.325   7.306   2.858
   28    HA   ASN   5           HA       ASN   5   2.507   7.924   1.150
   29    HB2  ASN   5          2HB       ASN   5   1.266  10.054   1.167
   30    HB3  ASN   5          1HB       ASN   5   1.264  10.038   2.918
   31   HD21  ASN   5          1HD2      ASN   5   3.098  10.610   4.050
   32   HD22  ASN   5          2HD2      ASN   5   4.492  11.283   3.303
   33    H    GLY   6           HN       GLY   6   4.028   6.782   2.203
   34    HA2  GLY   6          2HA       GLY   6   5.250   7.404   4.488
   35    HA3  GLY   6          1HA       GLY   6   3.864   6.543   5.112
   36    H    ARG   7           HN       ARG   7   3.696   4.340   3.289
   37    HA   ARG   7           HA       ARG   7   6.039   2.980   4.182
   38    HB2  ARG   7          2HB       ARG   7   3.440   1.983   3.041
   39    HB3  ARG   7          1HB       ARG   7   4.814   0.918   3.266
   40    HG2  ARG   7          2HG       ARG   7   4.553   2.143   5.722
   41    HG3  ARG   7          1HG       ARG   7   2.884   1.950   5.173
   42    HD2  ARG   7          2HD       ARG   7   3.584  -0.036   6.462
   43    HD3  ARG   7          1HD       ARG   7   3.327  -0.496   4.794
   44    HE   ARG   7           HE       ARG   7   5.952   0.127   4.867
   45   HH11  ARG   7          1HH1      ARG   7   4.029  -1.976   6.968
   46   HH12  ARG   7          2HH1      ARG   7   5.255  -3.127   7.111
   47   HH21  ARG   7          1HH2      ARG   7   7.627  -1.455   5.124
   48   HH22  ARG   7          2HH2      ARG   7   7.319  -2.835   6.077
   49    H    GLY   8           HN       GLY   8   6.304   0.974   2.269
   50    HA2  GLY   8          2HA       GLY   8   8.058   1.972   0.430
   51    HA3  GLY   8          1HA       GLY   8   7.228   0.439   0.267
   52    H    GLY   9           HN       GLY   9   4.588   1.404  -0.142
   53    HA2  GLY   9          2HA       GLY   9   3.910   3.384  -1.686
   54    HA3  GLY   9          1HA       GLY   9   4.923   2.499  -2.817
   55    H    CYS  10           HN       CYS  10   3.091   2.252  -4.135
   56    HA   CYS  10           HA       CYS  10   0.778   0.805  -3.147
   57    HB2  CYS  10          2HB       CYS  10   1.386   1.796  -5.921
   58    HB3  CYS  10          1HB       CYS  10  -0.177   1.267  -5.309
   59    H    SER  11           HN       SER  11   3.693   0.083  -4.729
   60    HA   SER  11           HA       SER  11   2.633  -2.309  -5.985
   61    HB2  SER  11          2HB       SER  11   4.376  -0.728  -7.058
   62    HB3  SER  11          1HB       SER  11   5.523  -1.415  -5.916
   63    HG   SER  11           HG       SER  11   4.207  -3.401  -7.090
   64    H    SER  12           HN       SER  12   4.414  -1.202  -3.206
   65    HA   SER  12           HA       SER  12   5.570  -3.519  -2.329
   66    HB2  SER  12          2HB       SER  12   4.454  -1.185  -0.786
   67    HB3  SER  12          1HB       SER  12   5.720  -2.309  -0.279
   68    HG   SER  12           HG       SER  12   7.059  -1.533  -1.845
   69    H    ARG  13           HN       ARG  13   4.724  -5.236  -1.364
   70    HA   ARG  13           HA       ARG  13   2.097  -5.917  -1.711
   71    HB2  ARG  13          2HB       ARG  13   2.530  -7.928  -0.404
   72    HB3  ARG  13          1HB       ARG  13   3.799  -7.581  -1.562
   73    HG2  ARG  13          2HG       ARG  13   5.207  -6.729   0.242
   74    HG3  ARG  13          1HG       ARG  13   3.912  -7.052   1.401
   75    HD2  ARG  13          2HD       ARG  13   5.328  -9.080  -0.313
   76    HD3  ARG  13          1HD       ARG  13   5.539  -8.846   1.425
   77    HE   ARG  13           HE       ARG  13   2.982  -9.325   1.384
   78   HH11  ARG  13          1HH1      ARG  13   5.484 -10.979  -0.474
   79   HH12  ARG  13          2HH1      ARG  13   4.659 -12.458  -0.572
   80   HH21  ARG  13          1HH2      ARG  13   1.824 -11.363   1.274
   81   HH22  ARG  13          2HH2      ARG  13   2.522 -12.681   0.463
   82    H    TRP  14           HN       TRP  14   3.464  -4.502   1.191
   83    HA   TRP  14           HA       TRP  14   1.348  -5.151   2.988
   84    HB2  TRP  14          2HB       TRP  14   3.728  -4.074   3.410
   85    HB3  TRP  14          1HB       TRP  14   2.867  -2.563   3.155
   86    HD1  TRP  14          1HD       TRP  14   3.599  -5.155   5.653
   87    HE1  TRP  14          1HE       TRP  14   2.409  -4.674   7.891
   88    HE3  TRP  14          3HE       TRP  14   0.505  -1.406   4.139
   89    HZ2  TRP  14          2HZ       TRP  14   0.456  -2.939   8.874
   90    HZ3  TRP  14          3HZ       TRP  14  -0.989  -0.387   5.793
   91    HH2  TRP  14          2HH       TRP  14  -1.009  -1.150   8.118
   92    H    CYS  15           HN       CYS  15   1.935  -2.207   1.184
   93    HA   CYS  15           HA       CYS  15  -0.638  -1.205   1.872
   94    HB2  CYS  15          2HB       CYS  15   1.684  -0.311   0.364
   95    HB3  CYS  15          1HB       CYS  15   0.190   0.624   0.343
   96    H    ARG  16           HN       ARG  16   0.620  -3.052  -0.558
   97    HA   ARG  16           HA       ARG  16  -1.330  -2.379  -2.564
   98    HB2  ARG  16          2HB       ARG  16   0.873  -3.439  -3.063
   99    HB3  ARG  16          1HB       ARG  16   0.305  -4.897  -2.268
  100    HG2  ARG  16          2HG       ARG  16  -1.427  -5.156  -3.949
  101    HG3  ARG  16          1HG       ARG  16  -0.888  -3.672  -4.742
  102    HD2  ARG  16          2HD       ARG  16   0.032  -5.621  -5.868
  103    HD3  ARG  16          1HD       ARG  16   1.311  -4.672  -5.112
  104    HE   ARG  16           HE       ARG  16   0.440  -6.648  -3.328
  105   HH11  ARG  16          1HH1      ARG  16   2.364  -6.326  -6.287
  106   HH12  ARG  16          2HH1      ARG  16   3.240  -7.772  -6.017
  107   HH21  ARG  16          1HH2      ARG  16   1.628  -8.590  -2.995
  108   HH22  ARG  16          2HH2      ARG  16   2.801  -9.104  -4.114
  109    H    ASP  17           HN       ASP  17  -1.119  -4.563   0.140
  110    HA   ASP  17           HA       ASP  17  -3.656  -5.848  -0.550
  111    HB2  ASP  17          2HB       ASP  17  -1.631  -7.134   0.434
  112    HB3  ASP  17          1HB       ASP  17  -2.010  -6.308   1.925
  113    H    HIS  18           HN       HIS  18  -2.179  -4.025   2.097
  114    HA   HIS  18           HA       HIS  18  -4.744  -3.689   3.435
  115    HB2  HIS  18          2HB       HIS  18  -2.012  -2.703   4.305
  116    HB3  HIS  18          1HB       HIS  18  -3.439  -2.912   5.306
  117    HD1  HIS  18          1HD       HIS  18  -4.013  -5.917   4.245
  118    HD2  HIS  18          2HD       HIS  18  -0.412  -4.435   5.645
  119    HE1  HIS  18          1HE       HIS  18  -2.715  -7.917   5.013
  120    H    ALA  19           HN       ALA  19  -4.139  -2.426   0.938
  121    HA   ALA  19           HA       ALA  19  -3.416   0.228   0.903
  122    HB1  ALA  19          1HB       ALA  19  -4.751   0.430  -1.113
  123    HB2  ALA  19          2HB       ALA  19  -5.600  -1.063  -0.713
  124    HB3  ALA  19          3HB       ALA  19  -3.878  -1.102  -1.090
  125    H    ARG  20           HN       ARG  20  -4.150   1.836   2.085
  126    HA   ARG  20           HA       ARG  20  -6.948   1.934   2.832
  127    HB2  ARG  20          2HB       ARG  20  -5.275   2.516   4.571
  128    HB3  ARG  20          1HB       ARG  20  -4.692   3.836   3.566
  129    HG2  ARG  20          2HG       ARG  20  -6.139   4.695   5.315
  130    HG3  ARG  20          1HG       ARG  20  -6.894   4.922   3.734
  131    HD2  ARG  20          2HD       ARG  20  -8.126   2.739   4.167
  132    HD3  ARG  20          1HD       ARG  20  -7.534   2.858   5.823
  133    HE   ARG  20           HE       ARG  20  -8.749   5.238   5.288
  134   HH11  ARG  20          1HH1      ARG  20  -9.671   1.826   5.424
  135   HH12  ARG  20          2HH1      ARG  20 -11.329   2.127   5.689
  136   HH21  ARG  20          1HH2      ARG  20 -11.092   5.657   5.715
  137   HH22  ARG  20          2HH2      ARG  20 -12.133   4.319   5.871
  138    H    CYS  21           HN       CYS  21  -4.585   3.671   0.891
  139    HA   CYS  21           HA       CYS  21  -6.798   5.141  -0.346
  140    HB2  CYS  21          2HB       CYS  21  -3.906   5.984  -0.120
  141    HB3  CYS  21          1HB       CYS  21  -5.181   6.919  -0.885
  142    H    CYS  22           HN       CYS  22  -3.404   4.336  -1.196
  143    HA   CYS  22           HA       CYS  22  -4.363   3.731  -3.866
  144    HB2  CYS  22          2HB       CYS  22  -2.597   5.367  -3.766
  145    HB3  CYS  22          1HB       CYS  22  -1.591   4.301  -2.792
  146    HN1  NH2  23          1H        CYS  22  -1.567   2.357  -2.155
  147    HN2  NH2  23          2H        CYS  22  -2.075   0.717  -2.350
  Start of MODEL    6
    1    H1   ARG   1          1HT       ARG   1  -2.231   4.661   7.286
    2    H2   ARG   1          2HT       ARG   1  -0.876   4.815   8.209
    3    H3   ARG   1          3HT       ARG   1  -2.026   3.666   8.637
    4    HA   ARG   1           HA       ARG   1  -0.113   2.615   7.538
    5    HB2  ARG   1          2HB       ARG   1  -2.459   2.768   5.592
    6    HB3  ARG   1          1HB       ARG   1  -1.215   1.549   5.609
    7    HG2  ARG   1          2HG       ARG   1  -3.092   1.976   7.908
    8    HG3  ARG   1          1HG       ARG   1  -3.411   0.864   6.578
    9    HD2  ARG   1          2HD       ARG   1  -1.456  -0.416   7.120
   10    HD3  ARG   1          1HD       ARG   1  -0.965   0.765   8.330
   11    HE   ARG   1           HE       ARG   1  -3.289   0.136   9.262
   12   HH11  ARG   1          1HH1      ARG   1  -0.824  -2.080   8.001
   13   HH12  ARG   1          2HH1      ARG   1  -1.303  -3.372   8.998
   14   HH21  ARG   1          1HH2      ARG   1  -3.880  -1.591  10.627
   15   HH22  ARG   1          2HH2      ARG   1  -3.099  -3.118  10.505
   16    H    GLY   2           HN       GLY   2   1.626   2.855   5.884
   17    HA2  GLY   2          2HA       GLY   2   1.790   5.418   4.751
   18    HA3  GLY   2          1HA       GLY   2   2.882   4.083   4.462
   19    H    CYS   3           HN       CYS   3  -0.207   3.149   3.764
   20    HA   CYS   3           HA       CYS   3   0.236   3.319   0.929
   21    HB2  CYS   3          2HB       CYS   3  -2.291   2.407   2.330
   22    HB3  CYS   3          1HB       CYS   3  -1.729   2.004   0.716
   23    H    CYS   4           HN       CYS   4  -0.858   5.409   3.209
   24    HA   CYS   4           HA       CYS   4  -2.326   6.923   1.192
   25    HB2  CYS   4          2HB       CYS   4  -2.396   7.196   4.203
   26    HB3  CYS   4          1HB       CYS   4  -3.282   8.214   3.068
   27    H    ASN   5           HN       ASN   5   0.205   6.982   3.580
   28    HA   ASN   5           HA       ASN   5   1.732   8.738   1.954
   29    HB2  ASN   5          2HB       ASN   5   0.264  10.301   3.228
   30    HB3  ASN   5          1HB       ASN   5   0.951   9.658   4.716
   31   HD21  ASN   5          1HD2      ASN   5   1.573  11.543   1.879
   32   HD22  ASN   5          2HD2      ASN   5   3.049  12.242   2.396
   33    H    GLY   6           HN       GLY   6   3.529   7.571   1.985
   34    HA2  GLY   6          2HA       GLY   6   5.512   7.318   3.494
   35    HA3  GLY   6          1HA       GLY   6   4.397   6.491   4.578
   36    H    ARG   7           HN       ARG   7   5.194   4.479   4.589
   37    HA   ARG   7           HA       ARG   7   5.842   2.493   4.029
   38    HB2  ARG   7          2HB       ARG   7   3.467   2.467   3.196
   39    HB3  ARG   7          1HB       ARG   7   4.093   2.877   1.610
   40    HG2  ARG   7          2HG       ARG   7   3.446   0.538   1.762
   41    HG3  ARG   7          1HG       ARG   7   5.156   0.659   1.434
   42    HD2  ARG   7          2HD       ARG   7   3.855   0.102   4.115
   43    HD3  ARG   7          1HD       ARG   7   4.630  -1.094   3.106
   44    HE   ARG   7           HE       ARG   7   6.529   0.834   3.632
   45   HH11  ARG   7          1HH1      ARG   7   4.613  -1.512   5.493
   46   HH12  ARG   7          2HH1      ARG   7   5.713  -1.583   6.778
   47   HH21  ARG   7          1HH2      ARG   7   8.034   0.706   5.403
   48   HH22  ARG   7          2HH2      ARG   7   7.710  -0.299   6.732
   49    H    GLY   8           HN       GLY   8   6.667   1.192   1.555
   50    HA2  GLY   8          2HA       GLY   8   8.737   2.925   0.574
   51    HA3  GLY   8          1HA       GLY   8   8.463   1.237   0.141
   52    H    GLY   9           HN       GLY   9   5.938   1.137  -0.736
   53    HA2  GLY   9          2HA       GLY   9   5.242   3.311  -2.419
   54    HA3  GLY   9          1HA       GLY   9   5.939   1.956  -3.305
   55    H    CYS  10           HN       CYS  10   3.479   2.518  -3.994
   56    HA   CYS  10           HA       CYS  10   1.484   1.162  -2.437
   57    HB2  CYS  10          2HB       CYS  10   1.389   2.096  -5.309
   58    HB3  CYS  10          1HB       CYS  10   0.005   1.598  -4.348
   59    H    SER  11           HN       SER  11   3.709   0.320  -4.872
   60    HA   SER  11           HA       SER  11   2.387  -1.974  -5.906
   61    HB2  SER  11          2HB       SER  11   4.071  -0.736  -7.199
   62    HB3  SER  11          1HB       SER  11   5.311  -1.159  -6.028
   63    HG   SER  11           HG       SER  11   3.852  -2.855  -7.736
   64    H    SER  12           HN       SER  12   4.283  -1.380  -3.055
   65    HA   SER  12           HA       SER  12   5.363  -3.880  -2.570
   66    HB2  SER  12          2HB       SER  12   4.422  -1.764  -0.639
   67    HB3  SER  12          1HB       SER  12   5.725  -2.936  -0.420
   68    HG   SER  12           HG       SER  12   6.515  -1.858  -2.494
   69    H    ARG  13           HN       ARG  13   4.453  -5.674  -1.605
   70    HA   ARG  13           HA       ARG  13   1.728  -6.095  -1.838
   71    HB2  ARG  13          2HB       ARG  13   2.035  -8.250  -0.644
   72    HB3  ARG  13          1HB       ARG  13   3.130  -7.995  -1.987
   73    HG2  ARG  13          2HG       ARG  13   4.946  -7.525  -0.476
   74    HG3  ARG  13          1HG       ARG  13   3.851  -7.593   0.910
   75    HD2  ARG  13          2HD       ARG  13   5.142  -9.681   0.621
   76    HD3  ARG  13          1HD       ARG  13   3.401  -9.925   0.495
   77    HE   ARG  13           HE       ARG  13   5.093  -9.645  -1.888
   78   HH11  ARG  13          1HH1      ARG  13   2.833 -11.599   0.023
   79   HH12  ARG  13          2HH1      ARG  13   2.484 -12.703  -1.225
   80   HH21  ARG  13          1HH2      ARG  13   4.612 -11.176  -3.622
   81   HH22  ARG  13          2HH2      ARG  13   3.538 -12.464  -3.335
   82    H    TRP  14           HN       TRP  14   3.348  -4.778   0.813
   83    HA   TRP  14           HA       TRP  14   1.462  -5.179   2.915
   84    HB2  TRP  14          2HB       TRP  14   3.855  -4.202   2.965
   85    HB3  TRP  14          1HB       TRP  14   3.126  -2.712   2.395
   86    HD1  TRP  14          1HD       TRP  14   3.504  -4.922   5.426
   87    HE1  TRP  14          1HE       TRP  14   2.838  -3.576   7.543
   88    HE3  TRP  14          3HE       TRP  14   1.572  -0.790   3.198
   89    HZ2  TRP  14          2HZ       TRP  14   1.688  -1.131   8.142
   90    HZ3  TRP  14          3HZ       TRP  14   0.733   1.004   4.599
   91    HH2  TRP  14          2HH       TRP  14   0.793   0.834   7.045
   92    H    CYS  15           HN       CYS  15   1.809  -2.594   0.542
   93    HA   CYS  15           HA       CYS  15  -0.666  -1.433   1.324
   94    HB2  CYS  15          2HB       CYS  15   1.408  -0.857  -0.670
   95    HB3  CYS  15          1HB       CYS  15  -0.166  -0.051  -0.705
   96    H    ARG  16           HN       ARG  16   0.348  -3.731  -0.885
   97    HA   ARG  16           HA       ARG  16  -1.888  -3.502  -2.638
   98    HB2  ARG  16          2HB       ARG  16  -0.258  -5.960  -1.975
   99    HB3  ARG  16          1HB       ARG  16  -1.471  -5.885  -3.235
  100    HG2  ARG  16          2HG       ARG  16   1.073  -4.265  -3.153
  101    HG3  ARG  16          1HG       ARG  16   0.754  -5.660  -4.186
  102    HD2  ARG  16          2HD       ARG  16  -0.643  -2.982  -4.249
  103    HD3  ARG  16          1HD       ARG  16   0.427  -3.656  -5.475
  104    HE   ARG  16           HE       ARG  16  -1.415  -5.521  -5.414
  105   HH11  ARG  16          1HH1      ARG  16  -1.859  -1.970  -5.548
  106   HH12  ARG  16          2HH1      ARG  16  -3.387  -2.085  -6.260
  107   HH21  ARG  16          1HH2      ARG  16  -3.533  -5.606  -6.371
  108   HH22  ARG  16          2HH2      ARG  16  -4.347  -4.172  -6.768
  109    H    ASP  17           HN       ASP  17  -1.419  -4.924   0.468
  110    HA   ASP  17           HA       ASP  17  -4.086  -6.132   0.463
  111    HB2  ASP  17          2HB       ASP  17  -2.055  -7.331   1.433
  112    HB3  ASP  17          1HB       ASP  17  -2.077  -6.121   2.701
  113    H    HIS  18           HN       HIS  18  -2.147  -3.839   2.333
  114    HA   HIS  18           HA       HIS  18  -4.392  -2.994   3.974
  115    HB2  HIS  18          2HB       HIS  18  -1.500  -2.014   4.004
  116    HB3  HIS  18          1HB       HIS  18  -2.702  -1.748   5.250
  117    HD1  HIS  18          1HD       HIS  18  -3.601  -4.879   5.233
  118    HD2  HIS  18          2HD       HIS  18   0.238  -3.390   5.628
  119    HE1  HIS  18          1HE       HIS  18  -2.314  -6.651   6.424
  120    H    ALA  19           HN       ALA  19  -4.346  -2.481   1.188
  121    HA   ALA  19           HA       ALA  19  -3.668   0.163   0.511
  122    HB1  ALA  19          1HB       ALA  19  -5.054  -0.147  -1.464
  123    HB2  ALA  19          2HB       ALA  19  -5.704  -1.646  -0.776
  124    HB3  ALA  19          3HB       ALA  19  -3.991  -1.520  -1.177
  125    H    ARG  20           HN       ARG  20  -4.491   1.443   2.131
  126    HA   ARG  20           HA       ARG  20  -7.343   1.713   2.482
  127    HB2  ARG  20          2HB       ARG  20  -5.078   3.440   3.500
  128    HB3  ARG  20          1HB       ARG  20  -6.764   3.611   3.956
  129    HG2  ARG  20          2HG       ARG  20  -5.003   1.228   4.523
  130    HG3  ARG  20          1HG       ARG  20  -5.506   2.454   5.687
  131    HD2  ARG  20          2HD       ARG  20  -7.319   0.535   4.217
  132    HD3  ARG  20          1HD       ARG  20  -6.852   0.436   5.909
  133    HE   ARG  20           HE       ARG  20  -7.982   2.928   5.560
  134   HH11  ARG  20          1HH1      ARG  20  -9.051  -0.437   5.228
  135   HH12  ARG  20          2HH1      ARG  20 -10.655  -0.121   5.680
  136   HH21  ARG  20          1HH2      ARG  20 -10.221   3.366   6.172
  137   HH22  ARG  20          2HH2      ARG  20 -11.335   2.092   6.214
  138    H    CYS  21           HN       CYS  21  -4.759   3.794   1.261
  139    HA   CYS  21           HA       CYS  21  -6.779   5.211  -0.312
  140    HB2  CYS  21          2HB       CYS  21  -3.972   6.079   0.383
  141    HB3  CYS  21          1HB       CYS  21  -5.207   7.067  -0.391
  142    H    CYS  22           HN       CYS  22  -3.300   4.369  -0.621
  143    HA   CYS  22           HA       CYS  22  -3.828   3.566  -3.383
  144    HB2  CYS  22          2HB       CYS  22  -2.525   5.666  -3.197
  145    HB3  CYS  22          1HB       CYS  22  -1.353   4.838  -2.183
  146    HN1  NH2  23          1H        CYS  22  -3.918   1.409  -3.169
  147    HN2  NH2  23          2H        CYS  22  -2.754   0.421  -2.359
  Start of MODEL    7
    1    H1   ARG   1          1HT       ARG   1  -2.203   3.393   7.578
    2    H2   ARG   1          2HT       ARG   1  -1.334   4.527   8.452
    3    H3   ARG   1          3HT       ARG   1  -1.592   2.987   9.104
    4    HA   ARG   1           HA       ARG   1   0.663   3.244   8.279
    5    HB2  ARG   1          2HB       ARG   1  -0.740   1.080   8.010
    6    HB3  ARG   1          1HB       ARG   1  -0.883   1.546   6.327
    7    HG2  ARG   1          2HG       ARG   1   0.863  -0.073   6.549
    8    HG3  ARG   1          1HG       ARG   1   1.576   1.489   6.138
    9    HD2  ARG   1          2HD       ARG   1   2.832   0.283   7.898
   10    HD3  ARG   1          1HD       ARG   1   2.232   1.848   8.430
   11    HE   ARG   1           HE       ARG   1   0.309   0.012   9.181
   12   HH11  ARG   1          1HH1      ARG   1   3.737   0.452   9.854
   13   HH12  ARG   1          2HH1      ARG   1   3.638  -0.060  11.473
   14   HH21  ARG   1          1HH2      ARG   1   0.152  -0.687  11.367
   15   HH22  ARG   1          2HH2      ARG   1   1.537  -0.745  12.363
   16    H    GLY   2           HN       GLY   2   2.039   3.617   6.281
   17    HA2  GLY   2          2HA       GLY   2   1.065   5.978   5.049
   18    HA3  GLY   2          1HA       GLY   2   2.629   5.230   4.889
   19    H    CYS   3           HN       CYS   3  -0.468   3.908   4.056
   20    HA   CYS   3           HA       CYS   3   0.528   3.697   1.298
   21    HB2  CYS   3          2HB       CYS   3  -2.171   2.697   2.337
   22    HB3  CYS   3          1HB       CYS   3  -1.442   2.361   0.782
   23    H    CYS   4           HN       CYS   4  -0.748   5.878   3.146
   24    HA   CYS   4           HA       CYS   4  -2.024   7.400   0.963
   25    HB2  CYS   4          2HB       CYS   4  -2.398   7.764   3.905
   26    HB3  CYS   4          1HB       CYS   4  -3.331   8.439   2.577
   27    H    ASN   5           HN       ASN   5   0.540   7.038   2.979
   28    HA   ASN   5           HA       ASN   5   1.293   9.897   3.009
   29    HB2  ASN   5          2HB       ASN   5   0.261   9.505   5.159
   30    HB3  ASN   5          1HB       ASN   5   1.315   8.134   5.458
   31   HD21  ASN   5          1HD2      ASN   5   1.090  11.605   5.354
   32   HD22  ASN   5          2HD2      ASN   5   2.545  11.926   6.206
   33    H    GLY   6           HN       GLY   6   2.499   6.569   2.878
   34    HA2  GLY   6          2HA       GLY   6   4.841   6.887   1.801
   35    HA3  GLY   6          1HA       GLY   6   5.195   7.493   3.409
   36    H    ARG   7           HN       ARG   7   4.731   4.787   1.457
   37    HA   ARG   7           HA       ARG   7   5.708   3.065   3.575
   38    HB2  ARG   7          2HB       ARG   7   3.401   2.683   1.767
   39    HB3  ARG   7          1HB       ARG   7   4.449   1.280   1.951
   40    HG2  ARG   7          2HG       ARG   7   2.993   2.742   4.163
   41    HG3  ARG   7          1HG       ARG   7   2.452   1.248   3.406
   42    HD2  ARG   7          2HD       ARG   7   3.503   0.627   5.453
   43    HD3  ARG   7          1HD       ARG   7   4.622   0.205   4.177
   44    HE   ARG   7           HE       ARG   7   5.043   2.821   5.137
   45   HH11  ARG   7          1HH1      ARG   7   5.813  -0.594   5.795
   46   HH12  ARG   7          2HH1      ARG   7   7.150  -0.262   6.771
   47   HH21  ARG   7          1HH2      ARG   7   6.924   3.269   6.542
   48   HH22  ARG   7          2HH2      ARG   7   7.785   1.970   7.213
   49    H    GLY   8           HN       GLY   8   6.266   0.867   1.860
   50    HA2  GLY   8          2HA       GLY   8   8.324   1.940   0.169
   51    HA3  GLY   8          1HA       GLY   8   7.937   0.239   0.418
   52    H    GLY   9           HN       GLY   9   6.239   3.043  -0.880
   53    HA2  GLY   9          2HA       GLY   9   5.336   3.416  -2.984
   54    HA3  GLY   9          1HA       GLY   9   6.030   1.888  -3.511
   55    H    CYS  10           HN       CYS  10   3.621   2.460  -4.446
   56    HA   CYS  10           HA       CYS  10   1.538   1.378  -2.771
   57    HB2  CYS  10          2HB       CYS  10   1.525   2.053  -5.722
   58    HB3  CYS  10          1HB       CYS  10   0.109   1.680  -4.748
   59    H    SER  11           HN       SER  11   3.917   0.225  -4.872
   60    HA   SER  11           HA       SER  11   2.583  -2.210  -5.576
   61    HB2  SER  11          2HB       SER  11   4.232  -1.063  -7.093
   62    HB3  SER  11          1HB       SER  11   5.508  -1.443  -5.948
   63    HG   SER  11           HG       SER  11   3.851  -3.287  -7.304
   64    H    SER  12           HN       SER  12   3.946  -1.080  -2.777
   65    HA   SER  12           HA       SER  12   5.337  -3.317  -1.801
   66    HB2  SER  12          2HB       SER  12   5.445  -1.177  -0.656
   67    HB3  SER  12          1HB       SER  12   3.696  -1.269  -0.333
   68    HG   SER  12           HG       SER  12   5.708  -2.201   1.104
   69    H    ARG  13           HN       ARG  13   4.613  -4.841  -0.461
   70    HA   ARG  13           HA       ARG  13   2.222  -6.133  -1.413
   71    HB2  ARG  13          2HB       ARG  13   4.001  -6.966   0.885
   72    HB3  ARG  13          1HB       ARG  13   2.789  -7.966   0.107
   73    HG2  ARG  13          2HG       ARG  13   4.035  -7.915  -1.971
   74    HG3  ARG  13          1HG       ARG  13   5.243  -6.860  -1.235
   75    HD2  ARG  13          2HD       ARG  13   5.714  -8.624   0.425
   76    HD3  ARG  13          1HD       ARG  13   4.568  -9.674  -0.405
   77    HE   ARG  13           HE       ARG  13   6.361  -8.826  -2.310
   78   HH11  ARG  13          1HH1      ARG  13   6.516 -10.673   0.698
   79   HH12  ARG  13          2HH1      ARG  13   7.845 -11.615   0.244
   80   HH21  ARG  13          1HH2      ARG  13   8.199 -10.116  -2.975
   81   HH22  ARG  13          2HH2      ARG  13   8.846 -11.270  -1.914
   82    H    TRP  14           HN       TRP  14   3.058  -4.186   1.259
   83    HA   TRP  14           HA       TRP  14   0.868  -4.847   2.984
   84    HB2  TRP  14          2HB       TRP  14   3.126  -3.499   3.447
   85    HB3  TRP  14          1HB       TRP  14   2.146  -2.126   2.948
   86    HD1  TRP  14          1HD       TRP  14   3.011  -4.149   5.837
   87    HE1  TRP  14          1HE       TRP  14   1.479  -3.664   7.859
   88    HE3  TRP  14          3HE       TRP  14  -0.571  -1.378   3.510
   89    HZ2  TRP  14          2HZ       TRP  14  -0.905  -2.309   8.390
   90    HZ3  TRP  14          3HZ       TRP  14  -2.440  -0.517   4.844
   91    HH2  TRP  14          2HH       TRP  14  -2.597  -0.974   7.247
   92    H    CYS  15           HN       CYS  15   1.512  -2.131   0.853
   93    HA   CYS  15           HA       CYS  15  -1.047  -1.048   1.121
   94    HB2  CYS  15          2HB       CYS  15   1.180  -0.582  -0.784
   95    HB3  CYS  15          1HB       CYS  15  -0.292   0.391  -0.672
   96    H    ARG  16           HN       ARG  16   0.273  -3.417  -0.985
   97    HA   ARG  16           HA       ARG  16  -1.835  -3.211  -2.893
   98    HB2  ARG  16          2HB       ARG  16   0.065  -5.477  -2.302
   99    HB3  ARG  16          1HB       ARG  16  -1.163  -5.567  -3.551
  100    HG2  ARG  16          2HG       ARG  16  -0.125  -3.609  -4.651
  101    HG3  ARG  16          1HG       ARG  16   1.143  -3.634  -3.427
  102    HD2  ARG  16          2HD       ARG  16   1.868  -4.762  -5.473
  103    HD3  ARG  16          1HD       ARG  16   1.778  -5.886  -4.121
  104    HE   ARG  16           HE       ARG  16  -0.656  -6.081  -5.314
  105   HH11  ARG  16          1HH1      ARG  16   2.639  -6.406  -6.640
  106   HH12  ARG  16          2HH1      ARG  16   2.211  -7.692  -7.652
  107   HH21  ARG  16          1HH2      ARG  16  -1.191  -7.845  -6.744
  108   HH22  ARG  16          2HH2      ARG  16   0.006  -8.493  -7.750
  109    H    ASP  17           HN       ASP  17  -1.354  -5.111   0.039
  110    HA   ASP  17           HA       ASP  17  -3.820  -6.583  -0.439
  111    HB2  ASP  17          2HB       ASP  17  -1.722  -7.574   0.680
  112    HB3  ASP  17          1HB       ASP  17  -2.167  -6.605   2.059
  113    H    HIS  18           HN       HIS  18  -2.548  -4.340   1.986
  114    HA   HIS  18           HA       HIS  18  -5.211  -4.180   3.222
  115    HB2  HIS  18          2HB       HIS  18  -2.706  -3.025   4.424
  116    HB3  HIS  18          1HB       HIS  18  -4.138  -3.617   5.233
  117    HD1  HIS  18          1HD       HIS  18  -4.190  -6.568   4.473
  118    HD2  HIS  18          2HD       HIS  18  -0.673  -4.498   5.166
  119    HE1  HIS  18          1HE       HIS  18  -2.483  -8.304   5.119
  120    H    ALA  19           HN       ALA  19  -4.631  -2.870   0.818
  121    HA   ALA  19           HA       ALA  19  -3.631  -0.315   0.784
  122    HB1  ALA  19          1HB       ALA  19  -4.983   0.148  -1.119
  123    HB2  ALA  19          2HB       ALA  19  -6.061  -1.203  -0.748
  124    HB3  ALA  19          3HB       ALA  19  -4.380  -1.507  -1.210
  125    H    ARG  20           HN       ARG  20  -4.019   1.136   2.241
  126    HA   ARG  20           HA       ARG  20  -6.657   1.704   3.227
  127    HB2  ARG  20          2HB       ARG  20  -4.656   1.917   4.668
  128    HB3  ARG  20          1HB       ARG  20  -4.045   3.182   3.624
  129    HG2  ARG  20          2HG       ARG  20  -5.010   4.082   5.677
  130    HG3  ARG  20          1HG       ARG  20  -5.872   4.627   4.239
  131    HD2  ARG  20          2HD       ARG  20  -7.411   4.046   6.052
  132    HD3  ARG  20          1HD       ARG  20  -7.636   2.999   4.658
  133    HE   ARG  20           HE       ARG  20  -5.858   1.746   6.395
  134   HH11  ARG  20          1HH1      ARG  20  -9.244   2.758   6.393
  135   HH12  ARG  20          2HH1      ARG  20  -9.770   1.508   7.411
  136   HH21  ARG  20          1HH2      ARG  20  -6.611  -0.018   7.817
  137   HH22  ARG  20          2HH2      ARG  20  -8.243  -0.079   8.246
  138    H    CYS  21           HN       CYS  21  -4.393   3.023   0.915
  139    HA   CYS  21           HA       CYS  21  -6.544   4.554  -0.291
  140    HB2  CYS  21          2HB       CYS  21  -3.815   5.788   0.254
  141    HB3  CYS  21          1HB       CYS  21  -5.146   6.561  -0.593
  142    H    CYS  22           HN       CYS  22  -2.984   4.374  -0.811
  143    HA   CYS  22           HA       CYS  22  -3.552   3.344  -3.485
  144    HB2  CYS  22          2HB       CYS  22  -2.344   5.554  -3.255
  145    HB3  CYS  22          1HB       CYS  22  -1.048   4.702  -2.433
  146    HN1  NH2  23          1H        CYS  22  -3.606   1.175  -3.123
  147    HN2  NH2  23          2H        CYS  22  -2.353   0.251  -2.384
  Start of MODEL    8
    1    H1   ARG   1          1HT       ARG   1  -2.094   3.893   7.983
    2    H2   ARG   1          2HT       ARG   1  -0.543   3.905   8.542
    3    H3   ARG   1          3HT       ARG   1  -1.513   2.597   8.929
    4    HA   ARG   1           HA       ARG   1   0.031   2.002   7.184
    5    HB2  ARG   1          2HB       ARG   1  -2.770   2.512   6.132
    6    HB3  ARG   1          1HB       ARG   1  -1.538   1.775   5.134
    7    HG2  ARG   1          2HG       ARG   1  -2.888   0.038   5.969
    8    HG3  ARG   1          1HG       ARG   1  -1.377  -0.050   6.850
    9    HD2  ARG   1          2HD       ARG   1  -2.524   1.228   8.700
   10    HD3  ARG   1          1HD       ARG   1  -4.026   0.996   7.808
   11    HE   ARG   1           HE       ARG   1  -2.535  -1.393   8.214
   12   HH11  ARG   1          1HH1      ARG   1  -4.944   0.733   9.758
   13   HH12  ARG   1          2HH1      ARG   1  -5.579  -0.510  10.728
   14   HH21  ARG   1          1HH2      ARG   1  -3.414  -3.032   9.519
   15   HH22  ARG   1          2HH2      ARG   1  -4.700  -2.704  10.598
   16    H    GLY   2           HN       GLY   2   1.557   2.902   5.695
   17    HA2  GLY   2          2HA       GLY   2   1.159   5.654   4.922
   18    HA3  GLY   2          1HA       GLY   2   2.566   4.650   4.669
   19    H    CYS   3           HN       CYS   3  -0.667   3.945   3.864
   20    HA   CYS   3           HA       CYS   3   0.150   3.427   1.109
   21    HB2  CYS   3          2HB       CYS   3  -2.428   2.753   2.504
   22    HB3  CYS   3          1HB       CYS   3  -1.922   2.191   0.913
   23    H    CYS   4           HN       CYS   4  -0.669   5.947   2.642
   24    HA   CYS   4           HA       CYS   4  -1.916   7.089   0.261
   25    HB2  CYS   4          2HB       CYS   4  -2.199   8.291   3.048
   26    HB3  CYS   4          1HB       CYS   4  -3.082   8.721   1.597
   27    H    ASN   5           HN       ASN   5   0.289   7.369   2.942
   28    HA   ASN   5           HA       ASN   5   2.469   8.314   1.411
   29    HB2  ASN   5          2HB       ASN   5   1.090  10.413   1.757
   30    HB3  ASN   5          1HB       ASN   5   1.354  10.229   3.476
   31   HD21  ASN   5          1HD2      ASN   5   2.146  12.469   1.916
   32   HD22  ASN   5          2HD2      ASN   5   3.858  12.597   2.005
   33    H    GLY   6           HN       GLY   6   3.962   7.016   2.371
   34    HA2  GLY   6          2HA       GLY   6   5.448   7.192   4.421
   35    HA3  GLY   6          1HA       GLY   6   3.974   6.956   5.332
   36    H    ARG   7           HN       ARG   7   4.899   5.159   2.415
   37    HA   ARG   7           HA       ARG   7   5.830   2.970   3.961
   38    HB2  ARG   7          2HB       ARG   7   3.463   2.487   4.035
   39    HB3  ARG   7          1HB       ARG   7   3.286   2.736   2.312
   40    HG2  ARG   7          2HG       ARG   7   3.180   0.367   2.957
   41    HG3  ARG   7          1HG       ARG   7   4.514   0.699   1.861
   42    HD2  ARG   7          2HD       ARG   7   5.199  -0.833   3.631
   43    HD3  ARG   7          1HD       ARG   7   6.063   0.696   3.744
   44    HE   ARG   7           HE       ARG   7   3.837   0.790   5.432
   45   HH11  ARG   7          1HH1      ARG   7   6.964  -0.771   5.126
   46   HH12  ARG   7          2HH1      ARG   7   7.141  -1.175   6.763
   47   HH21  ARG   7          1HH2      ARG   7   4.056   0.322   7.741
   48   HH22  ARG   7          2HH2      ARG   7   5.437  -0.490   8.310
   49    H    GLY   8           HN       GLY   8   6.959   1.401   2.443
   50    HA2  GLY   8          2HA       GLY   8   8.213   2.751   0.285
   51    HA3  GLY   8          1HA       GLY   8   8.488   1.095   0.785
   52    H    GLY   9           HN       GLY   9   5.953   3.011  -0.732
   53    HA2  GLY   9          2HA       GLY   9   5.384   2.817  -3.034
   54    HA3  GLY   9          1HA       GLY   9   6.004   1.179  -3.030
   55    H    CYS  10           HN       CYS  10   3.397   2.535  -3.708
   56    HA   CYS  10           HA       CYS  10   1.458   1.339  -1.966
   57    HB2  CYS  10          2HB       CYS  10   1.051   2.404  -4.768
   58    HB3  CYS  10          1HB       CYS  10  -0.175   2.154  -3.531
   59    H    SER  11           HN       SER  11   3.256   0.436  -4.710
   60    HA   SER  11           HA       SER  11   1.528  -1.735  -5.524
   61    HB2  SER  11          2HB       SER  11   2.804  -0.385  -7.191
   62    HB3  SER  11          1HB       SER  11   4.306  -0.986  -6.500
   63    HG   SER  11           HG       SER  11   3.939  -2.923  -7.287
   64    H    SER  12           HN       SER  12   3.736  -1.267  -3.118
   65    HA   SER  12           HA       SER  12   5.083  -3.771  -3.070
   66    HB2  SER  12          2HB       SER  12   5.728  -1.620  -1.797
   67    HB3  SER  12          1HB       SER  12   4.362  -2.036  -0.746
   68    HG   SER  12           HG       SER  12   6.494  -3.803  -1.233
   69    H    ARG  13           HN       ARG  13   4.552  -5.427  -1.525
   70    HA   ARG  13           HA       ARG  13   1.851  -6.251  -1.876
   71    HB2  ARG  13          2HB       ARG  13   3.681  -7.888  -1.757
   72    HB3  ARG  13          1HB       ARG  13   3.962  -7.455  -0.081
   73    HG2  ARG  13          2HG       ARG  13   1.814  -8.337   0.567
   74    HG3  ARG  13          1HG       ARG  13   1.407  -8.663  -1.117
   75    HD2  ARG  13          2HD       ARG  13   3.711  -9.904   0.372
   76    HD3  ARG  13          1HD       ARG  13   2.143 -10.672   0.126
   77    HE   ARG  13           HE       ARG  13   3.032  -9.935  -2.359
   78   HH11  ARG  13          1HH1      ARG  13   4.300 -12.034   0.216
   79   HH12  ARG  13          2HH1      ARG  13   4.950 -13.179  -0.852
   80   HH21  ARG  13          1HH2      ARG  13   3.997 -11.513  -3.832
   81   HH22  ARG  13          2HH2      ARG  13   4.797 -12.865  -3.182
   82    H    TRP  14           HN       TRP  14   3.486  -4.660   0.630
   83    HA   TRP  14           HA       TRP  14   1.688  -5.016   2.796
   84    HB2  TRP  14          2HB       TRP  14   4.117  -3.945   2.623
   85    HB3  TRP  14          1HB       TRP  14   3.209  -2.472   2.326
   86    HD1  TRP  14          1HD       TRP  14   4.219  -4.871   5.034
   87    HE1  TRP  14          1HE       TRP  14   3.474  -3.941   7.331
   88    HE3  TRP  14          3HE       TRP  14   1.323  -0.987   3.453
   89    HZ2  TRP  14          2HZ       TRP  14   1.892  -1.875   8.315
   90    HZ3  TRP  14          3HZ       TRP  14   0.239   0.411   5.125
   91    HH2  TRP  14          2HH       TRP  14   0.532  -0.036   7.539
   92    H    CYS  15           HN       CYS  15   1.947  -2.187   0.684
   93    HA   CYS  15           HA       CYS  15  -0.600  -1.287   1.526
   94    HB2  CYS  15          2HB       CYS  15   1.445  -0.430  -0.351
   95    HB3  CYS  15          1HB       CYS  15  -0.146   0.311  -0.428
   96    H    ARG  16           HN       ARG  16   0.441  -3.302  -0.959
   97    HA   ARG  16           HA       ARG  16  -1.885  -2.944  -2.561
   98    HB2  ARG  16          2HB       ARG  16   0.196  -3.933  -3.480
   99    HB3  ARG  16          1HB       ARG  16  -0.021  -5.331  -2.442
  100    HG2  ARG  16          2HG       ARG  16  -0.684  -5.765  -4.767
  101    HG3  ARG  16          1HG       ARG  16  -2.020  -5.960  -3.635
  102    HD2  ARG  16          2HD       ARG  16  -2.749  -4.782  -5.629
  103    HD3  ARG  16          1HD       ARG  16  -2.855  -3.740  -4.220
  104    HE   ARG  16           HE       ARG  16  -0.573  -3.623  -6.054
  105   HH11  ARG  16          1HH1      ARG  16  -3.235  -1.978  -4.366
  106   HH12  ARG  16          2HH1      ARG  16  -2.885  -0.436  -4.984
  107   HH21  ARG  16          1HH2      ARG  16  -0.129  -1.467  -6.973
  108   HH22  ARG  16          2HH2      ARG  16  -1.060  -0.130  -6.483
  109    H    ASP  17           HN       ASP  17  -1.200  -4.678   0.327
  110    HA   ASP  17           HA       ASP  17  -3.742  -6.154   0.137
  111    HB2  ASP  17          2HB       ASP  17  -1.522  -7.304   0.834
  112    HB3  ASP  17          1HB       ASP  17  -1.710  -6.416   2.323
  113    H    HIS  18           HN       HIS  18  -1.931  -3.989   2.243
  114    HA   HIS  18           HA       HIS  18  -4.179  -3.618   4.070
  115    HB2  HIS  18          2HB       HIS  18  -1.389  -2.402   4.207
  116    HB3  HIS  18          1HB       HIS  18  -2.556  -2.485   5.510
  117    HD1  HIS  18          1HD       HIS  18  -3.192  -5.514   5.467
  118    HD2  HIS  18          2HD       HIS  18   0.614  -3.959   5.057
  119    HE1  HIS  18          1HE       HIS  18  -1.634  -7.365   6.110
  120    H    ALA  19           HN       ALA  19  -4.202  -2.649   1.343
  121    HA   ALA  19           HA       ALA  19  -3.561  -0.011   0.878
  122    HB1  ALA  19          1HB       ALA  19  -5.138  -0.046  -0.910
  123    HB2  ALA  19          2HB       ALA  19  -5.946  -1.453  -0.219
  124    HB3  ALA  19          3HB       ALA  19  -4.294  -1.595  -0.832
  125    H    ARG  20           HN       ARG  20  -4.196   1.771   1.711
  126    HA   ARG  20           HA       ARG  20  -6.916   1.993   2.783
  127    HB2  ARG  20          2HB       ARG  20  -5.065   2.485   4.398
  128    HB3  ARG  20          1HB       ARG  20  -4.552   3.803   3.360
  129    HG2  ARG  20          2HG       ARG  20  -5.846   4.587   5.291
  130    HG3  ARG  20          1HG       ARG  20  -6.630   4.983   3.764
  131    HD2  ARG  20          2HD       ARG  20  -8.227   4.169   5.471
  132    HD3  ARG  20          1HD       ARG  20  -8.191   3.151   4.040
  133    HE   ARG  20           HE       ARG  20  -6.417   1.983   5.758
  134   HH11  ARG  20          1HH1      ARG  20  -9.836   2.845   6.050
  135   HH12  ARG  20          2HH1      ARG  20 -10.224   1.518   7.043
  136   HH21  ARG  20          1HH2      ARG  20  -6.956   0.193   7.129
  137   HH22  ARG  20          2HH2      ARG  20  -8.553   0.005   7.703
  138    H    CYS  21           HN       CYS  21  -4.466   3.797   0.910
  139    HA   CYS  21           HA       CYS  21  -6.674   4.984  -0.587
  140    HB2  CYS  21          2HB       CYS  21  -3.875   6.099  -0.182
  141    HB3  CYS  21          1HB       CYS  21  -5.166   6.872  -1.096
  142    H    CYS  22           HN       CYS  22  -3.161   4.278  -1.043
  143    HA   CYS  22           HA       CYS  22  -3.876   3.049  -3.569
  144    HB2  CYS  22          2HB       CYS  22  -1.498   3.531  -4.216
  145    HB3  CYS  22          1HB       CYS  22  -2.445   4.960  -3.848
  146    HN1  NH2  23          1H        CYS  22  -4.071   0.936  -3.281
  147    HN2  NH2  23          2H        CYS  22  -3.056  -0.047  -2.273
  Start of MODEL    9
    1    H1   ARG   1          1HT       ARG   1  -1.870   5.074   8.237
    2    H2   ARG   1          2HT       ARG   1  -2.128   5.636   6.679
    3    H3   ARG   1          3HT       ARG   1  -0.780   6.139   7.552
    4    HA   ARG   1           HA       ARG   1   0.154   4.014   7.556
    5    HB2  ARG   1          2HB       ARG   1  -2.212   3.206   5.853
    6    HB3  ARG   1          1HB       ARG   1  -0.786   2.220   6.129
    7    HG2  ARG   1          2HG       ARG   1  -2.785   3.106   8.193
    8    HG3  ARG   1          1HG       ARG   1  -2.529   1.473   7.580
    9    HD2  ARG   1          2HD       ARG   1  -0.277   1.440   8.537
   10    HD3  ARG   1          1HD       ARG   1  -0.489   3.102   9.084
   11    HE   ARG   1           HE       ARG   1  -2.498   1.413  10.011
   12   HH11  ARG   1          1HH1      ARG   1   0.826   2.502  10.601
   13   HH12  ARG   1          2HH1      ARG   1   0.851   2.115  12.248
   14   HH21  ARG   1          1HH2      ARG   1  -2.493   0.851  12.335
   15   HH22  ARG   1          2HH2      ARG   1  -1.098   1.148  13.252
   16    H    GLY   2           HN       GLY   2   1.463   3.213   5.726
   17    HA2  GLY   2          2HA       GLY   2   2.266   5.413   4.241
   18    HA3  GLY   2          1HA       GLY   2   2.890   3.788   4.126
   19    H    CYS   3           HN       CYS   3  -0.086   3.141   3.448
   20    HA   CYS   3           HA       CYS   3   0.249   3.346   0.585
   21    HB2  CYS   3          2HB       CYS   3  -2.196   2.368   2.063
   22    HB3  CYS   3          1HB       CYS   3  -1.643   1.944   0.447
   23    H    CYS   4           HN       CYS   4  -0.473   5.484   2.680
   24    HA   CYS   4           HA       CYS   4  -2.156   7.021   0.864
   25    HB2  CYS   4          2HB       CYS   4  -2.018   7.339   3.875
   26    HB3  CYS   4          1HB       CYS   4  -3.098   8.176   2.760
   27    H    ASN   5           HN       ASN   5   0.482   6.910   3.193
   28    HA   ASN   5           HA       ASN   5   2.120   8.659   1.700
   29    HB2  ASN   5          2HB       ASN   5   0.502  10.239   2.830
   30    HB3  ASN   5          1HB       ASN   5   1.151   9.704   4.364
   31   HD21  ASN   5          1HD2      ASN   5   1.180  12.360   3.204
   32   HD22  ASN   5          2HD2      ASN   5   2.837  12.846   3.114
   33    H    GLY   6           HN       GLY   6   4.006   7.601   2.034
   34    HA2  GLY   6          2HA       GLY   6   5.956   7.283   3.338
   35    HA3  GLY   6          1HA       GLY   6   4.978   7.399   4.784
   36    H    ARG   7           HN       ARG   7   5.548   5.255   2.025
   37    HA   ARG   7           HA       ARG   7   5.595   2.997   3.882
   38    HB2  ARG   7          2HB       ARG   7   3.404   3.130   2.429
   39    HB3  ARG   7          1HB       ARG   7   4.475   2.896   1.084
   40    HG2  ARG   7          2HG       ARG   7   3.336   0.847   1.586
   41    HG3  ARG   7          1HG       ARG   7   5.056   0.667   1.859
   42    HD2  ARG   7          2HD       ARG   7   2.998   1.151   4.038
   43    HD3  ARG   7          1HD       ARG   7   3.590  -0.439   3.581
   44    HE   ARG   7           HE       ARG   7   5.621   1.452   4.365
   45   HH11  ARG   7          1HH1      ARG   7   3.456  -1.146   5.495
   46   HH12  ARG   7          2HH1      ARG   7   4.408  -1.500   6.847
   47   HH21  ARG   7          1HH2      ARG   7   6.873   0.937   6.268
   48   HH22  ARG   7          2HH2      ARG   7   6.368  -0.320   7.293
   49    H    GLY   8           HN       GLY   8   6.725   1.040   2.256
   50    HA2  GLY   8          2HA       GLY   8   9.164   2.096   1.268
   51    HA3  GLY   8          1HA       GLY   8   8.550   0.458   1.034
   52    H    GLY   9           HN       GLY   9   6.076   1.274  -0.072
   53    HA2  GLY   9          2HA       GLY   9   6.211   3.058  -2.178
   54    HA3  GLY   9          1HA       GLY   9   6.632   1.454  -2.785
   55    H    CYS  10           HN       CYS  10   4.236   3.008  -3.346
   56    HA   CYS  10           HA       CYS  10   2.083   1.733  -1.947
   57    HB2  CYS  10          2HB       CYS  10   1.738   3.953  -2.913
   58    HB3  CYS  10          1HB       CYS  10   2.103   3.347  -4.521
   59    H    SER  11           HN       SER  11   4.137   0.842  -4.453
   60    HA   SER  11           HA       SER  11   2.357  -1.056  -5.679
   61    HB2  SER  11          2HB       SER  11   4.191   0.142  -6.923
   62    HB3  SER  11          1HB       SER  11   5.360  -0.796  -5.999
   63    HG   SER  11           HG       SER  11   4.107  -1.441  -8.220
   64    H    SER  12           HN       SER  12   3.880  -0.968  -2.761
   65    HA   SER  12           HA       SER  12   5.024  -3.537  -2.571
   66    HB2  SER  12          2HB       SER  12   5.673  -1.785  -1.021
   67    HB3  SER  12          1HB       SER  12   4.002  -1.663  -0.441
   68    HG   SER  12           HG       SER  12   5.790  -3.838  -0.149
   69    H    ARG  13           HN       ARG  13   4.255  -5.189  -1.313
   70    HA   ARG  13           HA       ARG  13   1.630  -6.063  -2.018
   71    HB2  ARG  13          2HB       ARG  13   3.497  -7.658  -1.775
   72    HB3  ARG  13          1HB       ARG  13   3.600  -7.272  -0.069
   73    HG2  ARG  13          2HG       ARG  13   1.361  -8.195   0.283
   74    HG3  ARG  13          1HG       ARG  13   1.272  -8.606  -1.430
   75    HD2  ARG  13          2HD       ARG  13   3.386  -9.617   0.456
   76    HD3  ARG  13          1HD       ARG  13   1.917 -10.501   0.058
   77    HE   ARG  13           HE       ARG  13   2.905 -10.084  -2.353
   78   HH11  ARG  13          1HH1      ARG  13   4.712 -11.051   0.536
   79   HH12  ARG  13          2HH1      ARG  13   5.717 -12.152  -0.261
   80   HH21  ARG  13          1HH2      ARG  13   4.276 -11.564  -3.466
   81   HH22  ARG  13          2HH2      ARG  13   5.487 -12.438  -2.650
   82    H    TRP  14           HN       TRP  14   3.066  -4.566   0.729
   83    HA   TRP  14           HA       TRP  14   1.097  -4.983   2.710
   84    HB2  TRP  14          2HB       TRP  14   3.476  -3.791   2.760
   85    HB3  TRP  14          1HB       TRP  14   2.530  -2.359   2.389
   86    HD1  TRP  14          1HD       TRP  14   3.578  -4.579   5.167
   87    HE1  TRP  14          1HE       TRP  14   2.561  -3.789   7.403
   88    HE3  TRP  14          3HE       TRP  14   0.233  -1.148   3.398
   89    HZ2  TRP  14          2HZ       TRP  14   0.620  -1.975   8.291
   90    HZ3  TRP  14          3HZ       TRP  14  -1.161   0.062   5.007
   91    HH2  TRP  14          2HH       TRP  14  -0.967  -0.346   7.411
   92    H    CYS  15           HN       CYS  15   1.435  -2.453   0.291
   93    HA   CYS  15           HA       CYS  15  -1.027  -1.231   0.987
   94    HB2  CYS  15          2HB       CYS  15   0.940  -0.929  -1.185
   95    HB3  CYS  15          1HB       CYS  15  -0.515   0.070  -1.018
   96    H    ARG  16           HN       ARG  16  -0.123  -3.761  -0.924
   97    HA   ARG  16           HA       ARG  16  -2.345  -3.532  -2.741
   98    HB2  ARG  16          2HB       ARG  16  -0.139  -4.613  -3.295
   99    HB3  ARG  16          1HB       ARG  16  -0.602  -5.930  -2.239
  100    HG2  ARG  16          2HG       ARG  16  -2.407  -6.548  -3.650
  101    HG3  ARG  16          1HG       ARG  16  -2.207  -5.094  -4.633
  102    HD2  ARG  16          2HD       ARG  16  -0.200  -7.322  -4.338
  103    HD3  ARG  16          1HD       ARG  16  -1.230  -7.034  -5.744
  104    HE   ARG  16           HE       ARG  16   0.407  -4.793  -5.004
  105   HH11  ARG  16          1HH1      ARG  16   0.298  -7.736  -6.951
  106   HH12  ARG  16          2HH1      ARG  16   1.529  -7.249  -8.023
  107   HH21  ARG  16          1HH2      ARG  16   2.088  -4.099  -6.447
  108   HH22  ARG  16          2HH2      ARG  16   2.559  -5.117  -7.738
  109    H    ASP  17           HN       ASP  17  -1.542  -5.321   0.176
  110    HA   ASP  17           HA       ASP  17  -4.104  -6.731   0.149
  111    HB2  ASP  17          2HB       ASP  17  -1.815  -7.725   0.917
  112    HB3  ASP  17          1HB       ASP  17  -2.097  -6.803   2.376
  113    H    HIS  18           HN       HIS  18  -2.395  -4.277   2.009
  114    HA   HIS  18           HA       HIS  18  -4.705  -3.897   3.793
  115    HB2  HIS  18          2HB       HIS  18  -1.913  -2.784   4.196
  116    HB3  HIS  18          1HB       HIS  18  -3.165  -3.023   5.401
  117    HD1  HIS  18          1HD       HIS  18  -3.731  -5.945   5.326
  118    HD2  HIS  18          2HD       HIS  18   0.067  -4.469   4.662
  119    HE1  HIS  18          1HE       HIS  18  -2.164  -7.851   5.822
  120    H    ALA  19           HN       ALA  19  -4.721  -2.964   1.183
  121    HA   ALA  19           HA       ALA  19  -3.785  -0.382   0.696
  122    HB1  ALA  19          1HB       ALA  19  -4.588  -1.885  -1.045
  123    HB2  ALA  19          2HB       ALA  19  -5.339  -0.291  -1.110
  124    HB3  ALA  19          3HB       ALA  19  -6.247  -1.665  -0.463
  125    H    ARG  20           HN       ARG  20  -4.199   1.019   2.294
  126    HA   ARG  20           HA       ARG  20  -6.859   1.487   3.268
  127    HB2  ARG  20          2HB       ARG  20  -4.343   3.124   3.639
  128    HB3  ARG  20          1HB       ARG  20  -5.863   3.412   4.472
  129    HG2  ARG  20          2HG       ARG  20  -4.133   0.953   4.717
  130    HG3  ARG  20          1HG       ARG  20  -4.321   2.227   5.921
  131    HD2  ARG  20          2HD       ARG  20  -6.477   0.353   4.937
  132    HD3  ARG  20          1HD       ARG  20  -5.676   0.295   6.503
  133    HE   ARG  20           HE       ARG  20  -6.632   2.699   6.658
  134   HH11  ARG  20          1HH1      ARG  20  -8.313  -0.093   5.225
  135   HH12  ARG  20          2HH1      ARG  20  -9.857   0.418   5.704
  136   HH21  ARG  20          1HH2      ARG  20  -8.748   3.393   7.294
  137   HH22  ARG  20          2HH2      ARG  20 -10.117   2.419   6.945
  138    H    CYS  21           HN       CYS  21  -4.595   3.513   1.407
  139    HA   CYS  21           HA       CYS  21  -6.953   4.800   0.270
  140    HB2  CYS  21          2HB       CYS  21  -4.095   5.806   0.326
  141    HB3  CYS  21          1HB       CYS  21  -5.495   6.697  -0.266
  142    H    CYS  22           HN       CYS  22  -3.565   4.194  -0.896
  143    HA   CYS  22           HA       CYS  22  -4.816   3.322  -3.349
  144    HB2  CYS  22          2HB       CYS  22  -2.676   3.667  -4.440
  145    HB3  CYS  22          1HB       CYS  22  -3.113   5.123  -3.568
  146    HN1  NH2  23          1H        CYS  22  -5.024   1.258  -3.693
  147    HN2  NH2  23          2H        CYS  22  -4.160   0.011  -2.864
  Start of MODEL   10
    1    H1   ARG   1          1HT       ARG   1  -1.610   2.441   8.089
    2    H2   ARG   1          2HT       ARG   1  -0.922   3.600   9.080
    3    H3   ARG   1          3HT       ARG   1  -0.780   1.978   9.491
    4    HA   ARG   1           HA       ARG   1   1.259   2.884   8.600
    5    HB2  ARG   1          2HB       ARG   1   0.593   0.479   8.244
    6    HB3  ARG   1          1HB       ARG   1  -0.099   0.949   6.705
    7    HG2  ARG   1          2HG       ARG   1   2.079  -0.137   6.467
    8    HG3  ARG   1          1HG       ARG   1   2.081   1.510   5.844
    9    HD2  ARG   1          2HD       ARG   1   4.120   0.996   7.090
   10    HD3  ARG   1          1HD       ARG   1   3.210   2.295   7.848
   11    HE   ARG   1           HE       ARG   1   2.552  -0.194   9.036
   12   HH11  ARG   1          1HH1      ARG   1   5.310   2.064   8.852
   13   HH12  ARG   1          2HH1      ARG   1   5.785   1.778  10.459
   14   HH21  ARG   1          1HH2      ARG   1   3.267  -0.571  11.220
   15   HH22  ARG   1          2HH2      ARG   1   4.615   0.274  11.825
   16    H    GLY   2           HN       GLY   2   2.366   3.719   6.576
   17    HA2  GLY   2          2HA       GLY   2   0.874   5.968   5.647
   18    HA3  GLY   2          1HA       GLY   2   2.508   5.533   5.305
   19    H    CYS   3           HN       CYS   3  -0.364   3.732   4.577
   20    HA   CYS   3           HA       CYS   3   0.564   3.724   1.822
   21    HB2  CYS   3          2HB       CYS   3  -1.897   2.331   2.925
   22    HB3  CYS   3          1HB       CYS   3  -1.289   2.186   1.289
   23    H    CYS   4           HN       CYS   4  -1.127   5.795   3.596
   24    HA   CYS   4           HA       CYS   4  -2.264   7.003   1.158
   25    HB2  CYS   4          2HB       CYS   4  -2.878   7.775   4.039
   26    HB3  CYS   4          1HB       CYS   4  -3.674   8.362   2.596
   27    H    ASN   5           HN       ASN   5  -0.042   7.182   3.753
   28    HA   ASN   5           HA       ASN   5   0.646   9.924   3.434
   29    HB2  ASN   5          2HB       ASN   5   0.731   8.958   5.647
   30    HB3  ASN   5          1HB       ASN   5   1.890   7.753   5.107
   31   HD21  ASN   5          1HD2      ASN   5   1.412  11.105   5.886
   32   HD22  ASN   5          2HD2      ASN   5   3.075  11.496   6.079
   33    H    GLY   6           HN       GLY   6   2.356   6.835   2.820
   34    HA2  GLY   6          2HA       GLY   6   3.582   7.092   0.576
   35    HA3  GLY   6          1HA       GLY   6   4.465   8.324   1.469
   36    H    ARG   7           HN       ARG   7   3.481   4.939   1.709
   37    HA   ARG   7           HA       ARG   7   5.646   4.292   3.517
   38    HB2  ARG   7          2HB       ARG   7   3.295   3.163   3.371
   39    HB3  ARG   7          1HB       ARG   7   3.956   2.289   1.993
   40    HG2  ARG   7          2HG       ARG   7   5.827   1.611   3.681
   41    HG3  ARG   7          1HG       ARG   7   4.636   2.116   4.883
   42    HD2  ARG   7          2HD       ARG   7   4.408  -0.287   4.514
   43    HD3  ARG   7          1HD       ARG   7   3.012   0.546   3.853
   44    HE   ARG   7           HE       ARG   7   3.927   0.322   1.694
   45   HH11  ARG   7          1HH1      ARG   7   5.518  -1.704   4.191
   46   HH12  ARG   7          2HH1      ARG   7   6.147  -2.794   3.056
   47   HH21  ARG   7          1HH2      ARG   7   4.874  -1.167   0.203
   48   HH22  ARG   7          2HH2      ARG   7   5.800  -2.496   0.779
   49    H    GLY   8           HN       GLY   8   7.039   2.213   2.674
   50    HA2  GLY   8          2HA       GLY   8   8.390   2.984   0.317
   51    HA3  GLY   8          1HA       GLY   8   8.679   1.538   1.265
   52    H    GLY   9           HN       GLY   9   6.400   2.898  -1.048
   53    HA2  GLY   9          2HA       GLY   9   6.006   1.944  -3.169
   54    HA3  GLY   9          1HA       GLY   9   6.555   0.398  -2.571
   55    H    CYS  10           HN       CYS  10   4.118   1.642  -3.893
   56    HA   CYS  10           HA       CYS  10   1.968   0.748  -2.143
   57    HB2  CYS  10          2HB       CYS  10   1.868   2.047  -4.871
   58    HB3  CYS  10          1HB       CYS  10   0.463   1.625  -3.907
   59    H    SER  11           HN       SER  11   3.789  -0.282  -4.837
   60    HA   SER  11           HA       SER  11   1.874  -2.249  -5.724
   61    HB2  SER  11          2HB       SER  11   3.486  -1.116  -7.306
   62    HB3  SER  11          1HB       SER  11   4.797  -1.976  -6.508
   63    HG   SER  11           HG       SER  11   3.386  -3.937  -7.100
   64    H    SER  12           HN       SER  12   4.400  -1.965  -3.476
   65    HA   SER  12           HA       SER  12   4.986  -4.701  -3.144
   66    HB2  SER  12          2HB       SER  12   6.367  -2.761  -2.285
   67    HB3  SER  12          1HB       SER  12   5.091  -2.525  -1.082
   68    HG   SER  12           HG       SER  12   6.759  -4.771  -1.397
   69    H    ARG  13           HN       ARG  13   4.324  -5.909  -1.258
   70    HA   ARG  13           HA       ARG  13   1.586  -6.362  -1.612
   71    HB2  ARG  13          2HB       ARG  13   3.409  -7.689   0.364
   72    HB3  ARG  13          1HB       ARG  13   1.774  -8.208  -0.003
   73    HG2  ARG  13          2HG       ARG  13   2.414  -8.543  -2.349
   74    HG3  ARG  13          1HG       ARG  13   4.072  -8.095  -1.953
   75    HD2  ARG  13          2HD       ARG  13   2.512 -10.415  -0.842
   76    HD3  ARG  13          1HD       ARG  13   3.810 -10.508  -2.030
   77    HE   ARG  13           HE       ARG  13   5.001  -9.295   0.039
   78   HH11  ARG  13          1HH1      ARG  13   3.113 -12.293  -0.221
   79   HH12  ARG  13          2HH1      ARG  13   3.870 -13.044   1.105
   80   HH21  ARG  13          1HH2      ARG  13   6.022 -10.367   1.897
   81   HH22  ARG  13          2HH2      ARG  13   5.503 -11.936   2.329
   82    H    TRP  14           HN       TRP  14   3.076  -4.589   0.987
   83    HA   TRP  14           HA       TRP  14   0.886  -4.905   2.806
   84    HB2  TRP  14          2HB       TRP  14   3.346  -3.852   3.171
   85    HB3  TRP  14          1HB       TRP  14   2.474  -2.361   2.846
   86    HD1  TRP  14          1HD       TRP  14   3.378  -4.622   5.531
   87    HE1  TRP  14          1HE       TRP  14   2.033  -4.186   7.703
   88    HE3  TRP  14          3HE       TRP  14  -0.168  -1.466   3.673
   89    HZ2  TRP  14          2HZ       TRP  14  -0.188  -2.680   8.501
   90    HZ3  TRP  14          3HZ       TRP  14  -1.857  -0.568   5.198
   91    HH2  TRP  14          2HH       TRP  14  -1.864  -1.161   7.567
   92    H    CYS  15           HN       CYS  15   1.722  -2.114   0.822
   93    HA   CYS  15           HA       CYS  15  -0.811  -0.941   1.190
   94    HB2  CYS  15          2HB       CYS  15   1.409  -0.480  -0.685
   95    HB3  CYS  15          1HB       CYS  15  -0.020   0.559  -0.532
   96    H    ARG  16           HN       ARG  16   0.366  -3.323  -0.850
   97    HA   ARG  16           HA       ARG  16  -1.620  -2.936  -2.879
   98    HB2  ARG  16          2HB       ARG  16   0.418  -4.138  -3.450
   99    HB3  ARG  16          1HB       ARG  16   0.050  -5.350  -2.232
  100    HG2  ARG  16          2HG       ARG  16  -0.416  -6.111  -4.533
  101    HG3  ARG  16          1HG       ARG  16  -1.832  -6.135  -3.486
  102    HD2  ARG  16          2HD       ARG  16  -2.337  -5.287  -5.721
  103    HD3  ARG  16          1HD       ARG  16  -2.637  -4.082  -4.477
  104    HE   ARG  16           HE       ARG  16  -0.442  -3.130  -5.125
  105   HH11  ARG  16          1HH1      ARG  16  -2.299  -5.054  -7.453
  106   HH12  ARG  16          2HH1      ARG  16  -1.705  -4.222  -8.814
  107   HH21  ARG  16          1HH2      ARG  16   0.351  -1.959  -7.067
  108   HH22  ARG  16          2HH2      ARG  16  -0.172  -2.485  -8.591
  109    H    ASP  17           HN       ASP  17  -1.350  -5.034  -0.053
  110    HA   ASP  17           HA       ASP  17  -3.954  -6.186  -0.613
  111    HB2  ASP  17          2HB       ASP  17  -1.940  -7.421   0.484
  112    HB3  ASP  17          1HB       ASP  17  -2.367  -6.500   1.890
  113    H    HIS  18           HN       HIS  18  -2.434  -4.264   1.912
  114    HA   HIS  18           HA       HIS  18  -4.988  -3.915   3.287
  115    HB2  HIS  18          2HB       HIS  18  -2.324  -2.909   4.263
  116    HB3  HIS  18          1HB       HIS  18  -3.718  -3.408   5.199
  117    HD1  HIS  18          1HD       HIS  18  -4.093  -6.233   4.952
  118    HD2  HIS  18          2HD       HIS  18  -0.338  -4.632   4.352
  119    HE1  HIS  18          1HE       HIS  18  -2.485  -8.156   5.195
  120    H    ALA  19           HN       ALA  19  -4.345  -2.600   0.787
  121    HA   ALA  19           HA       ALA  19  -3.397   0.008   0.971
  122    HB1  ALA  19          1HB       ALA  19  -5.506  -1.068  -0.890
  123    HB2  ALA  19          2HB       ALA  19  -3.758  -1.146  -1.136
  124    HB3  ALA  19          3HB       ALA  19  -4.576   0.418  -1.103
  125    H    ARG  20           HN       ARG  20  -4.231   1.512   2.320
  126    HA   ARG  20           HA       ARG  20  -7.094   1.667   2.652
  127    HB2  ARG  20          2HB       ARG  20  -5.643   2.088   4.606
  128    HB3  ARG  20          1HB       ARG  20  -4.904   3.439   3.768
  129    HG2  ARG  20          2HG       ARG  20  -6.565   4.129   5.472
  130    HG3  ARG  20          1HG       ARG  20  -6.956   4.694   3.850
  131    HD2  ARG  20          2HD       ARG  20  -8.929   3.843   5.074
  132    HD3  ARG  20          1HD       ARG  20  -8.612   2.949   3.591
  133    HE   ARG  20           HE       ARG  20  -7.412   1.786   5.899
  134   HH11  ARG  20          1HH1      ARG  20 -10.440   1.964   4.049
  135   HH12  ARG  20          2HH1      ARG  20 -11.051   0.479   4.598
  136   HH21  ARG  20          1HH2      ARG  20  -8.261  -0.307   6.641
  137   HH22  ARG  20          2HH2      ARG  20  -9.767  -0.859   6.087
  138    H    CYS  21           HN       CYS  21  -4.509   3.300   0.967
  139    HA   CYS  21           HA       CYS  21  -6.541   4.756  -0.549
  140    HB2  CYS  21          2HB       CYS  21  -3.958   6.009   0.407
  141    HB3  CYS  21          1HB       CYS  21  -5.209   6.795  -0.544
  142    H    CYS  22           HN       CYS  22  -2.933   4.566  -0.555
  143    HA   CYS  22           HA       CYS  22  -3.024   4.190  -3.408
  144    HB2  CYS  22          2HB       CYS  22  -1.415   5.780  -2.332
  145    HB3  CYS  22          1HB       CYS  22  -0.655   4.417  -1.525
  146    HN1  NH2  23          1H        CYS  22  -3.691   2.154  -3.802
  147    HN2  NH2  23          2H        CYS  22  -2.918   0.728  -3.215
  Start of MODEL   11
    1    H1   ARG   1          1HT       ARG   1   0.445   3.849   9.074
    2    H2   ARG   1          2HT       ARG   1   1.980   3.362   8.617
    3    H3   ARG   1          3HT       ARG   1   1.046   2.352   9.579
    4    HA   ARG   1           HA       ARG   1   1.191   1.685   7.261
    5    HB2  ARG   1          2HB       ARG   1  -1.302   1.484   6.857
    6    HB3  ARG   1          1HB       ARG   1  -0.692   0.806   8.346
    7    HG2  ARG   1          2HG       ARG   1  -1.470   2.898   9.501
    8    HG3  ARG   1          1HG       ARG   1  -2.242   3.360   7.980
    9    HD2  ARG   1          2HD       ARG   1  -3.816   2.235   9.483
   10    HD3  ARG   1          1HD       ARG   1  -3.549   1.307   8.003
   11    HE   ARG   1           HE       ARG   1  -1.835   0.586  10.186
   12   HH11  ARG   1          1HH1      ARG   1  -4.954  -0.031   8.695
   13   HH12  ARG   1          2HH1      ARG   1  -5.148  -1.599   9.305
   14   HH21  ARG   1          1HH2      ARG   1  -2.003  -1.606  11.008
   15   HH22  ARG   1          2HH2      ARG   1  -3.364  -2.546  10.660
   16    H    GLY   2           HN       GLY   2   2.239   2.916   5.832
   17    HA2  GLY   2          2HA       GLY   2   1.117   5.431   5.024
   18    HA3  GLY   2          1HA       GLY   2   2.658   4.748   4.584
   19    H    CYS   3           HN       CYS   3  -0.605   3.731   4.194
   20    HA   CYS   3           HA       CYS   3   0.009   3.179   1.376
   21    HB2  CYS   3          2HB       CYS   3  -2.396   2.375   2.990
   22    HB3  CYS   3          1HB       CYS   3  -2.149   1.980   1.292
   23    H    CYS   4           HN       CYS   4  -0.760   5.665   2.902
   24    HA   CYS   4           HA       CYS   4  -2.148   6.801   0.592
   25    HB2  CYS   4          2HB       CYS   4  -2.311   7.895   3.428
   26    HB3  CYS   4          1HB       CYS   4  -3.198   8.466   2.023
   27    H    ASN   5           HN       ASN   5   0.142   7.199   3.184
   28    HA   ASN   5           HA       ASN   5   2.202   8.100   1.489
   29    HB2  ASN   5          2HB       ASN   5   0.962  10.187   1.772
   30    HB3  ASN   5          1HB       ASN   5   1.040  10.023   3.510
   31   HD21  ASN   5          1HD2      ASN   5   2.980  10.697   0.653
   32   HD22  ASN   5          2HD2      ASN   5   4.314  11.366   1.501
   33    H    GLY   6           HN       GLY   6   3.800   6.918   2.364
   34    HA2  GLY   6          2HA       GLY   6   5.198   7.177   4.554
   35    HA3  GLY   6          1HA       GLY   6   3.770   6.466   5.280
   36    H    ARG   7           HN       ARG   7   4.575   5.235   2.150
   37    HA   ARG   7           HA       ARG   7   6.053   3.078   3.381
   38    HB2  ARG   7          2HB       ARG   7   3.801   2.991   1.429
   39    HB3  ARG   7          1HB       ARG   7   5.041   1.753   1.357
   40    HG2  ARG   7          2HG       ARG   7   3.220   2.365   3.702
   41    HG3  ARG   7          1HG       ARG   7   3.014   1.033   2.569
   42    HD2  ARG   7          2HD       ARG   7   4.028   0.110   4.535
   43    HD3  ARG   7          1HD       ARG   7   5.283   0.204   3.313
   44    HE   ARG   7           HE       ARG   7   5.172   2.553   4.872
   45   HH11  ARG   7          1HH1      ARG   7   6.505  -0.715   4.814
   46   HH12  ARG   7          2HH1      ARG   7   7.670  -0.411   6.017
   47   HH21  ARG   7          1HH2      ARG   7   6.755   2.969   6.527
   48   HH22  ARG   7          2HH2      ARG   7   7.829   1.735   7.000
   49    H    GLY   8           HN       GLY   8   7.099   1.801   1.363
   50    HA2  GLY   8          2HA       GLY   8   8.798   3.675   0.028
   51    HA3  GLY   8          1HA       GLY   8   8.799   1.924  -0.176
   52    H    GLY   9           HN       GLY   9   5.962   1.800  -0.792
   53    HA2  GLY   9          2HA       GLY   9   5.263   3.482  -2.906
   54    HA3  GLY   9          1HA       GLY   9   6.021   2.028  -3.551
   55    H    CYS  10           HN       CYS  10   3.489   2.362  -4.262
   56    HA   CYS  10           HA       CYS  10   1.696   1.160  -2.345
   57    HB2  CYS  10          2HB       CYS  10   1.203   1.849  -5.241
   58    HB3  CYS  10          1HB       CYS  10  -0.016   1.493  -4.023
   59    H    SER  11           HN       SER  11   3.876   0.030  -4.656
   60    HA   SER  11           HA       SER  11   2.336  -2.308  -5.379
   61    HB2  SER  11          2HB       SER  11   3.947  -1.100  -6.962
   62    HB3  SER  11          1HB       SER  11   5.258  -1.790  -6.010
   63    HG   SER  11           HG       SER  11   3.330  -3.050  -7.602
   64    H    SER  12           HN       SER  12   3.936  -1.397  -2.716
   65    HA   SER  12           HA       SER  12   5.396  -3.731  -1.990
   66    HB2  SER  12          2HB       SER  12   5.508  -1.331  -0.978
   67    HB3  SER  12          1HB       SER  12   4.027  -1.842  -0.145
   68    HG   SER  12           HG       SER  12   6.322  -3.424   0.020
   69    H    ARG  13           HN       ARG  13   4.624  -5.249  -0.424
   70    HA   ARG  13           HA       ARG  13   2.065  -6.243  -1.219
   71    HB2  ARG  13          2HB       ARG  13   2.396  -8.163   0.222
   72    HB3  ARG  13          1HB       ARG  13   3.862  -7.822  -0.671
   73    HG2  ARG  13          2HG       ARG  13   4.939  -6.976   1.266
   74    HG3  ARG  13          1HG       ARG  13   3.424  -6.950   2.173
   75    HD2  ARG  13          2HD       ARG  13   4.786  -9.419   1.105
   76    HD3  ARG  13          1HD       ARG  13   4.854  -8.860   2.777
   77    HE   ARG  13           HE       ARG  13   2.263  -9.021   2.477
   78   HH11  ARG  13          1HH1      ARG  13   4.711 -11.364   1.418
   79   HH12  ARG  13          2HH1      ARG  13   3.690 -12.715   1.594
   80   HH21  ARG  13          1HH2      ARG  13   0.882 -10.897   2.747
   81   HH22  ARG  13          2HH2      ARG  13   1.469 -12.441   2.382
   82    H    TRP  14           HN       TRP  14   3.055  -4.336   1.403
   83    HA   TRP  14           HA       TRP  14   0.880  -4.840   3.167
   84    HB2  TRP  14          2HB       TRP  14   3.208  -3.451   3.406
   85    HB3  TRP  14          1HB       TRP  14   2.116  -2.121   3.052
   86    HD1  TRP  14          1HD       TRP  14   3.340  -4.239   5.773
   87    HE1  TRP  14          1HE       TRP  14   2.040  -3.820   7.969
   88    HE3  TRP  14          3HE       TRP  14  -0.449  -1.413   3.916
   89    HZ2  TRP  14          2HZ       TRP  14  -0.280  -2.456   8.776
   90    HZ3  TRP  14          3HZ       TRP  14  -2.163  -0.584   5.457
   91    HH2  TRP  14          2HH       TRP  14  -2.077  -1.093   7.830
   92    H    CYS  15           HN       CYS  15   1.445  -2.156   0.962
   93    HA   CYS  15           HA       CYS  15  -1.201  -1.223   1.168
   94    HB2  CYS  15          2HB       CYS  15   1.092  -0.627  -0.612
   95    HB3  CYS  15          1HB       CYS  15  -0.415   0.288  -0.620
   96    H    ARG  16           HN       ARG  16   0.353  -3.520  -0.752
   97    HA   ARG  16           HA       ARG  16  -1.373  -3.641  -2.978
   98    HB2  ARG  16          2HB       ARG  16   0.789  -4.846  -2.740
   99    HB3  ARG  16          1HB       ARG  16   0.032  -5.886  -1.549
  100    HG2  ARG  16          2HG       ARG  16  -1.510  -6.704  -3.284
  101    HG3  ARG  16          1HG       ARG  16  -0.664  -5.703  -4.471
  102    HD2  ARG  16          2HD       ARG  16   0.494  -7.965  -2.841
  103    HD3  ARG  16          1HD       ARG  16   0.224  -7.936  -4.587
  104    HE   ARG  16           HE       ARG  16   1.824  -5.845  -4.268
  105   HH11  ARG  16          1HH1      ARG  16   2.162  -9.207  -3.167
  106   HH12  ARG  16          2HH1      ARG  16   3.861  -9.161  -3.105
  107   HH21  ARG  16          1HH2      ARG  16   4.167  -5.788  -4.119
  108   HH22  ARG  16          2HH2      ARG  16   5.019  -7.189  -3.642
  109    H    ASP  17           HN       ASP  17  -1.517  -4.958   0.279
  110    HA   ASP  17           HA       ASP  17  -4.031  -6.353  -0.340
  111    HB2  ASP  17          2HB       ASP  17  -1.994  -7.420   0.936
  112    HB3  ASP  17          1HB       ASP  17  -2.583  -6.462   2.246
  113    H    HIS  18           HN       HIS  18  -2.626  -4.182   2.073
  114    HA   HIS  18           HA       HIS  18  -5.219  -3.859   3.380
  115    HB2  HIS  18          2HB       HIS  18  -2.577  -2.776   4.344
  116    HB3  HIS  18          1HB       HIS  18  -4.004  -3.157   5.283
  117    HD1  HIS  18          1HD       HIS  18  -4.330  -6.198   4.449
  118    HD2  HIS  18          2HD       HIS  18  -0.722  -4.371   5.390
  119    HE1  HIS  18          1HE       HIS  18  -2.796  -8.041   5.210
  120    H    ALA  19           HN       ALA  19  -4.563  -2.582   0.852
  121    HA   ALA  19           HA       ALA  19  -3.728   0.060   0.940
  122    HB1  ALA  19          1HB       ALA  19  -4.875   0.385  -1.137
  123    HB2  ALA  19          2HB       ALA  19  -5.820  -1.088  -0.881
  124    HB3  ALA  19          3HB       ALA  19  -4.070  -1.183  -1.114
  125    H    ARG  20           HN       ARG  20  -4.532   1.839   1.686
  126    HA   ARG  20           HA       ARG  20  -7.396   1.982   2.348
  127    HB2  ARG  20          2HB       ARG  20  -5.115   3.657   3.413
  128    HB3  ARG  20          1HB       ARG  20  -6.803   3.893   3.821
  129    HG2  ARG  20          2HG       ARG  20  -5.195   1.417   4.446
  130    HG3  ARG  20          1HG       ARG  20  -5.522   2.720   5.580
  131    HD2  ARG  20          2HD       ARG  20  -7.081   0.982   6.077
  132    HD3  ARG  20          1HD       ARG  20  -7.985   2.235   5.235
  133    HE   ARG  20           HE       ARG  20  -7.213   0.470   3.297
  134   HH11  ARG  20          1HH1      ARG  20  -9.076   0.183   6.290
  135   HH12  ARG  20          2HH1      ARG  20 -10.041  -1.097   5.754
  136   HH21  ARG  20          1HH2      ARG  20  -8.492  -1.310   2.540
  137   HH22  ARG  20          2HH2      ARG  20  -9.680  -2.006   3.541
  138    H    CYS  21           HN       CYS  21  -4.752   3.832   0.835
  139    HA   CYS  21           HA       CYS  21  -6.835   5.302  -0.620
  140    HB2  CYS  21          2HB       CYS  21  -4.053   6.286   0.045
  141    HB3  CYS  21          1HB       CYS  21  -5.344   7.209  -0.715
  142    H    CYS  22           HN       CYS  22  -3.385   4.332  -0.811
  143    HA   CYS  22           HA       CYS  22  -3.784   3.809  -3.657
  144    HB2  CYS  22          2HB       CYS  22  -2.247   5.695  -3.147
  145    HB3  CYS  22          1HB       CYS  22  -1.258   4.609  -2.182
  146    HN1  NH2  23          1H        CYS  22  -4.085   1.684  -3.786
  147    HN2  NH2  23          2H        CYS  22  -3.184   0.471  -2.947
  Start of MODEL   12
    1    H1   ARG   1          1HT       ARG   1  -0.992   4.467   7.951
    2    H2   ARG   1          2HT       ARG   1  -1.147   3.004   8.761
    3    H3   ARG   1          3HT       ARG   1  -1.651   3.151   7.148
    4    HA   ARG   1           HA       ARG   1   1.127   3.469   8.098
    5    HB2  ARG   1          2HB       ARG   1  -0.148   1.291   6.405
    6    HB3  ARG   1          1HB       ARG   1   1.565   1.405   6.755
    7    HG2  ARG   1          2HG       ARG   1  -0.615   0.957   8.792
    8    HG3  ARG   1          1HG       ARG   1   0.433  -0.286   8.125
    9    HD2  ARG   1          2HD       ARG   1   1.400   2.104   9.705
   10    HD3  ARG   1          1HD       ARG   1   1.085   0.515  10.388
   11    HE   ARG   1           HE       ARG   1   2.953   0.571   8.193
   12   HH11  ARG   1          1HH1      ARG   1   2.575   0.736  11.725
   13   HH12  ARG   1          2HH1      ARG   1   4.149   0.185  12.052
   14   HH21  ARG   1          1HH2      ARG   1   5.152  -0.125   8.683
   15   HH22  ARG   1          2HH2      ARG   1   5.619  -0.313  10.312
   16    H    GLY   2           HN       GLY   2   2.372   2.934   5.714
   17    HA2  GLY   2          2HA       GLY   2   1.905   5.422   4.352
   18    HA3  GLY   2          1HA       GLY   2   3.148   4.240   4.014
   19    H    CYS   3           HN       CYS   3  -0.231   3.602   4.031
   20    HA   CYS   3           HA       CYS   3  -0.076   2.774   1.217
   21    HB2  CYS   3          2HB       CYS   3  -2.422   2.434   3.079
   22    HB3  CYS   3          1HB       CYS   3  -2.052   1.543   1.613
   23    H    CYS   4           HN       CYS   4  -0.413   5.399   2.665
   24    HA   CYS   4           HA       CYS   4  -2.329   6.605   0.786
   25    HB2  CYS   4          2HB       CYS   4  -1.645   7.714   3.515
   26    HB3  CYS   4          1HB       CYS   4  -2.964   8.211   2.464
   27    H    ASN   5           HN       ASN   5   0.486   7.001   2.830
   28    HA   ASN   5           HA       ASN   5   2.109   8.011   0.750
   29    HB2  ASN   5          2HB       ASN   5   0.887  10.047   1.480
   30    HB3  ASN   5          1HB       ASN   5   1.446   9.781   3.119
   31   HD21  ASN   5          1HD2      ASN   5   2.575  11.700   3.218
   32   HD22  ASN   5          2HD2      ASN   5   4.044  11.976   2.352
   33    H    GLY   6           HN       GLY   6   3.862   6.832   1.180
   34    HA2  GLY   6          2HA       GLY   6   5.736   6.894   2.927
   35    HA3  GLY   6          1HA       GLY   6   4.491   6.223   3.976
   36    H    ARG   7           HN       ARG   7   5.699   4.334   4.281
   37    HA   ARG   7           HA       ARG   7   6.361   2.154   3.881
   38    HB2  ARG   7          2HB       ARG   7   3.824   2.244   3.368
   39    HB3  ARG   7          1HB       ARG   7   4.295   2.347   1.688
   40    HG2  ARG   7          2HG       ARG   7   3.501   0.134   2.284
   41    HG3  ARG   7          1HG       ARG   7   5.181   0.046   1.807
   42    HD2  ARG   7          2HD       ARG   7   4.279   0.211   4.675
   43    HD3  ARG   7          1HD       ARG   7   4.487  -1.317   3.838
   44    HE   ARG   7           HE       ARG   7   6.785   0.341   3.645
   45   HH11  ARG   7          1HH1      ARG   7   5.067  -1.787   5.891
   46   HH12  ARG   7          2HH1      ARG   7   6.472  -2.368   6.653
   47   HH21  ARG   7          1HH2      ARG   7   8.729  -0.455   4.702
   48   HH22  ARG   7          2HH2      ARG   7   8.589  -1.582   5.978
   49    H    GLY   8           HN       GLY   8   6.436   0.859   1.177
   50    HA2  GLY   8          2HA       GLY   8   8.506   2.512  -0.040
   51    HA3  GLY   8          1HA       GLY   8   8.296   0.770  -0.272
   52    H    GLY   9           HN       GLY   9   5.789   3.191  -0.184
   53    HA2  GLY   9          2HA       GLY   9   4.515   4.077  -1.881
   54    HA3  GLY   9          1HA       GLY   9   5.350   3.033  -3.033
   55    H    CYS  10           HN       CYS  10   3.055   2.760  -3.705
   56    HA   CYS  10           HA       CYS  10   1.419   1.051  -2.067
   57    HB2  CYS  10          2HB       CYS  10   1.115   1.864  -4.966
   58    HB3  CYS  10          1HB       CYS  10  -0.102   1.034  -4.006
   59    H    SER  11           HN       SER  11   4.074   0.579  -4.017
   60    HA   SER  11           HA       SER  11   3.458  -1.878  -5.266
   61    HB2  SER  11          2HB       SER  11   5.330  -0.418  -5.995
   62    HB3  SER  11          1HB       SER  11   6.176  -0.777  -4.493
   63    HG   SER  11           HG       SER  11   6.629  -2.006  -6.541
   64    H    SER  12           HN       SER  12   4.735  -1.068  -2.022
   65    HA   SER  12           HA       SER  12   5.739  -3.462  -1.198
   66    HB2  SER  12          2HB       SER  12   4.153  -1.450   0.373
   67    HB3  SER  12          1HB       SER  12   5.414  -2.538   0.953
   68    HG   SER  12           HG       SER  12   6.844  -1.461  -0.498
   69    H    ARG  13           HN       ARG  13   4.807  -5.347  -0.619
   70    HA   ARG  13           HA       ARG  13   2.293  -6.166  -1.326
   71    HB2  ARG  13          2HB       ARG  13   2.674  -8.171   0.027
   72    HB3  ARG  13          1HB       ARG  13   4.118  -7.715  -0.863
   73    HG2  ARG  13          2HG       ARG  13   4.995  -6.665   1.199
   74    HG3  ARG  13          1HG       ARG  13   3.584  -7.266   2.067
   75    HD2  ARG  13          2HD       ARG  13   5.449  -8.756   2.425
   76    HD3  ARG  13          1HD       ARG  13   4.234  -9.558   1.437
   77    HE   ARG  13           HE       ARG  13   5.605  -9.200  -0.481
   78   HH11  ARG  13          1HH1      ARG  13   7.279  -8.637   2.623
   79   HH12  ARG  13          2HH1      ARG  13   8.829  -8.850   1.958
   80   HH21  ARG  13          1HH2      ARG  13   7.739  -9.436  -1.351
   81   HH22  ARG  13          2HH2      ARG  13   9.105  -9.279  -0.352
   82    H    TRP  14           HN       TRP  14   3.198  -4.673   1.706
   83    HA   TRP  14           HA       TRP  14   0.894  -5.271   3.251
   84    HB2  TRP  14          2HB       TRP  14   3.191  -4.094   3.874
   85    HB3  TRP  14          1HB       TRP  14   2.319  -2.631   3.445
   86    HD1  TRP  14          1HD       TRP  14   3.014  -4.886   6.214
   87    HE1  TRP  14          1HE       TRP  14   1.528  -4.368   8.269
   88    HE3  TRP  14          3HE       TRP  14  -0.366  -1.771   4.024
   89    HZ2  TRP  14          2HZ       TRP  14  -0.766  -2.871   8.854
   90    HZ3  TRP  14          3HZ       TRP  14  -2.167  -0.838   5.403
   91    HH2  TRP  14          2HH       TRP  14  -2.356  -1.373   7.759
   92    H    CYS  15           HN       CYS  15   1.676  -2.292   1.561
   93    HA   CYS  15           HA       CYS  15  -0.957  -1.335   1.755
   94    HB2  CYS  15          2HB       CYS  15   1.482  -0.443   0.335
   95    HB3  CYS  15          1HB       CYS  15  -0.035   0.457   0.361
   96    H    ARG  16           HN       ARG  16   0.750  -3.194  -0.567
   97    HA   ARG  16           HA       ARG  16  -0.913  -2.681  -2.787
   98    HB2  ARG  16          2HB       ARG  16   1.243  -3.958  -2.896
   99    HB3  ARG  16          1HB       ARG  16   0.446  -5.290  -2.071
  100    HG2  ARG  16          2HG       ARG  16  -1.140  -5.464  -3.957
  101    HG3  ARG  16          1HG       ARG  16  -0.236  -4.208  -4.798
  102    HD2  ARG  16          2HD       ARG  16   0.811  -6.904  -3.938
  103    HD3  ARG  16          1HD       ARG  16   0.412  -6.411  -5.581
  104    HE   ARG  16           HE       ARG  16   2.382  -4.730  -4.352
  105   HH11  ARG  16          1HH1      ARG  16   1.940  -7.737  -6.170
  106   HH12  ARG  16          2HH1      ARG  16   3.549  -7.828  -6.682
  107   HH21  ARG  16          1HH2      ARG  16   4.557  -4.834  -5.071
  108   HH22  ARG  16          2HH2      ARG  16   5.071  -6.114  -6.076
  109    H    ASP  17           HN       ASP  17  -1.203  -4.769   0.004
  110    HA   ASP  17           HA       ASP  17  -3.644  -6.031  -0.985
  111    HB2  ASP  17          2HB       ASP  17  -1.787  -7.202   0.373
  112    HB3  ASP  17          1HB       ASP  17  -2.377  -6.281   1.732
  113    H    HIS  18           HN       HIS  18  -2.561  -4.054   1.739
  114    HA   HIS  18           HA       HIS  18  -5.277  -3.721   2.752
  115    HB2  HIS  18          2HB       HIS  18  -2.648  -2.852   3.962
  116    HB3  HIS  18          1HB       HIS  18  -4.181  -2.956   4.791
  117    HD1  HIS  18          1HD       HIS  18  -4.581  -6.069   3.490
  118    HD2  HIS  18          2HD       HIS  18  -1.476  -4.528   5.784
  119    HE1  HIS  18          1HE       HIS  18  -3.559  -8.022   4.654
  120    H    ALA  19           HN       ALA  19  -4.400  -2.372   0.385
  121    HA   ALA  19           HA       ALA  19  -3.686   0.319   0.785
  122    HB1  ALA  19          1HB       ALA  19  -4.453   0.747  -1.459
  123    HB2  ALA  19          2HB       ALA  19  -5.316  -0.796  -1.487
  124    HB3  ALA  19          3HB       ALA  19  -3.550  -0.765  -1.389
  125    H    ARG  20           HN       ARG  20  -4.881   1.143   2.450
  126    HA   ARG  20           HA       ARG  20  -7.717   1.340   2.377
  127    HB2  ARG  20          2HB       ARG  20  -5.673   2.739   4.094
  128    HB3  ARG  20          1HB       ARG  20  -7.411   2.873   4.326
  129    HG2  ARG  20          2HG       ARG  20  -7.559   0.481   4.755
  130    HG3  ARG  20          1HG       ARG  20  -5.831   0.310   4.452
  131    HD2  ARG  20          2HD       ARG  20  -6.346   0.354   6.840
  132    HD3  ARG  20          1HD       ARG  20  -5.337   1.721   6.364
  133    HE   ARG  20           HE       ARG  20  -8.023   2.475   6.252
  134   HH11  ARG  20          1HH1      ARG  20  -5.667   1.549   8.723
  135   HH12  ARG  20          2HH1      ARG  20  -6.253   2.622   9.908
  136   HH21  ARG  20          1HH2      ARG  20  -8.875   3.910   7.884
  137   HH22  ARG  20          2HH2      ARG  20  -8.129   3.994   9.419
  138    H    CYS  21           HN       CYS  21  -5.106   3.607   1.617
  139    HA   CYS  21           HA       CYS  21  -7.138   5.519   0.715
  140    HB2  CYS  21          2HB       CYS  21  -4.164   5.892   0.999
  141    HB3  CYS  21          1HB       CYS  21  -5.327   7.155   0.605
  142    H    CYS  22           HN       CYS  22  -4.083   4.104  -0.405
  143    HA   CYS  22           HA       CYS  22  -4.082   5.025  -3.014
  144    HB2  CYS  22          2HB       CYS  22  -2.180   4.012  -1.741
  145    HB3  CYS  22          1HB       CYS  22  -2.919   2.440  -1.981
  146    HN1  NH2  23          1H        CYS  22  -5.962   4.762  -4.149
  147    HN2  NH2  23          2H        CYS  22  -6.614   3.224  -4.605
  Start of MODEL   13
    1    H1   ARG   1          1HT       ARG   1   0.825   3.512   9.081
    2    H2   ARG   1          2HT       ARG   1   2.119   2.559   8.545
    3    H3   ARG   1          3HT       ARG   1   0.810   1.841   9.321
    4    HA   ARG   1           HA       ARG   1   0.868   1.556   6.918
    5    HB2  ARG   1          2HB       ARG   1  -1.509   2.136   6.537
    6    HB3  ARG   1          1HB       ARG   1  -1.230   1.269   8.027
    7    HG2  ARG   1          2HG       ARG   1  -1.410   3.427   9.253
    8    HG3  ARG   1          1HG       ARG   1  -1.815   4.206   7.723
    9    HD2  ARG   1          2HD       ARG   1  -3.816   3.575   9.051
   10    HD3  ARG   1          1HD       ARG   1  -3.755   2.806   7.461
   11    HE   ARG   1           HE       ARG   1  -2.593   1.262   9.593
   12   HH11  ARG   1          1HH1      ARG   1  -5.650   1.925   7.931
   13   HH12  ARG   1          2HH1      ARG   1  -6.269   0.354   8.234
   14   HH21  ARG   1          1HH2      ARG   1  -3.468  -0.831   9.977
   15   HH22  ARG   1          2HH2      ARG   1  -5.022  -1.232   9.399
   16    H    GLY   2           HN       GLY   2   1.539   2.401   5.089
   17    HA2  GLY   2          2HA       GLY   2   1.384   5.308   4.877
   18    HA3  GLY   2          1HA       GLY   2   2.776   4.369   4.403
   19    H    CYS   3           HN       CYS   3  -0.533   3.590   3.841
   20    HA   CYS   3           HA       CYS   3   0.100   3.287   1.018
   21    HB2  CYS   3          2HB       CYS   3  -2.460   2.558   2.447
   22    HB3  CYS   3          1HB       CYS   3  -1.974   2.096   0.822
   23    H    CYS   4           HN       CYS   4  -0.766   5.724   2.801
   24    HA   CYS   4           HA       CYS   4  -2.113   7.004   0.540
   25    HB2  CYS   4          2HB       CYS   4  -1.920   8.064   3.383
   26    HB3  CYS   4          1HB       CYS   4  -2.926   8.700   2.091
   27    H    ASN   5           HN       ASN   5   0.372   7.247   2.971
   28    HA   ASN   5           HA       ASN   5   2.463   7.798   1.219
   29    HB2  ASN   5          2HB       ASN   5   1.204  10.053   1.329
   30    HB3  ASN   5          1HB       ASN   5   1.746  10.150   2.988
   31   HD21  ASN   5          1HD2      ASN   5   4.466   9.029   2.459
   32   HD22  ASN   5          2HD2      ASN   5   5.290  10.264   1.614
   33    H    GLY   6           HN       GLY   6   4.027   6.729   2.316
   34    HA2  GLY   6          2HA       GLY   6   5.224   7.213   4.637
   35    HA3  GLY   6          1HA       GLY   6   3.767   6.419   5.212
   36    H    ARG   7           HN       ARG   7   3.910   4.772   2.586
   37    HA   ARG   7           HA       ARG   7   5.805   2.841   3.631
   38    HB2  ARG   7          2HB       ARG   7   3.336   2.612   2.038
   39    HB3  ARG   7          1HB       ARG   7   4.595   1.399   1.752
   40    HG2  ARG   7          2HG       ARG   7   3.212   2.011   4.364
   41    HG3  ARG   7          1HG       ARG   7   2.826   0.663   3.296
   42    HD2  ARG   7          2HD       ARG   7   4.214  -0.152   5.078
   43    HD3  ARG   7          1HD       ARG   7   5.166  -0.147   3.593
   44    HE   ARG   7           HE       ARG   7   5.281   2.178   5.248
   45   HH11  ARG   7          1HH1      ARG   7   6.917  -0.829   4.257
   46   HH12  ARG   7          2HH1      ARG   7   8.430  -0.395   4.874
   47   HH21  ARG   7          1HH2      ARG   7   7.414   2.753   6.123
   48   HH22  ARG   7          2HH2      ARG   7   8.730   1.682   5.938
   49    H    GLY   8           HN       GLY   8   6.921   1.510   1.897
   50    HA2  GLY   8          2HA       GLY   8   8.199   3.383   0.106
   51    HA3  GLY   8          1HA       GLY   8   8.717   1.737   0.463
   52    H    GLY   9           HN       GLY   9   6.063   3.480  -1.044
   53    HA2  GLY   9          2HA       GLY   9   5.566   3.188  -3.371
   54    HA3  GLY   9          1HA       GLY   9   6.229   1.563  -3.256
   55    H    CYS  10           HN       CYS  10   3.697   2.499  -4.260
   56    HA   CYS  10           HA       CYS  10   1.671   1.682  -2.380
   57    HB2  CYS  10          2HB       CYS  10   1.166   3.480  -3.944
   58    HB3  CYS  10          1HB       CYS  10   1.540   2.439  -5.311
   59    H    SER  11           HN       SER  11   3.648   0.232  -4.717
   60    HA   SER  11           HA       SER  11   1.904  -2.021  -5.135
   61    HB2  SER  11          2HB       SER  11   3.397  -1.095  -6.945
   62    HB3  SER  11          1HB       SER  11   4.779  -1.699  -6.036
   63    HG   SER  11           HG       SER  11   2.635  -3.225  -7.085
   64    H    SER  12           HN       SER  12   3.893  -1.074  -2.684
   65    HA   SER  12           HA       SER  12   5.335  -3.407  -2.046
   66    HB2  SER  12          2HB       SER  12   5.587  -1.014  -1.062
   67    HB3  SER  12          1HB       SER  12   4.211  -1.505  -0.054
   68    HG   SER  12           HG       SER  12   6.562  -3.023  -0.218
   69    H    ARG  13           HN       ARG  13   4.807  -4.908  -0.490
   70    HA   ARG  13           HA       ARG  13   2.360  -6.158  -0.989
   71    HB2  ARG  13          2HB       ARG  13   2.916  -7.815   0.729
   72    HB3  ARG  13          1HB       ARG  13   4.259  -7.486  -0.354
   73    HG2  ARG  13          2HG       ARG  13   5.370  -6.205   1.303
   74    HG3  ARG  13          1HG       ARG  13   3.958  -6.246   2.363
   75    HD2  ARG  13          2HD       ARG  13   5.574  -8.626   1.493
   76    HD3  ARG  13          1HD       ARG  13   5.699  -7.844   3.067
   77    HE   ARG  13           HE       ARG  13   3.361  -9.288   2.035
   78   HH11  ARG  13          1HH1      ARG  13   5.205  -8.070   4.787
   79   HH12  ARG  13          2HH1      ARG  13   4.281  -8.877   5.962
   80   HH21  ARG  13          1HH2      ARG  13   2.090 -10.413   3.629
   81   HH22  ARG  13          2HH2      ARG  13   2.445 -10.249   5.288
   82    H    TRP  14           HN       TRP  14   3.159  -4.089   1.746
   83    HA   TRP  14           HA       TRP  14   0.881  -4.756   3.307
   84    HB2  TRP  14          2HB       TRP  14   3.030  -3.331   3.914
   85    HB3  TRP  14          1HB       TRP  14   2.058  -1.983   3.326
   86    HD1  TRP  14          1HD       TRP  14   2.666  -4.157   6.277
   87    HE1  TRP  14          1HE       TRP  14   1.080  -3.556   8.201
   88    HE3  TRP  14          3HE       TRP  14  -0.541  -1.063   3.780
   89    HZ2  TRP  14          2HZ       TRP  14  -1.214  -2.006   8.619
   90    HZ3  TRP  14          3HZ       TRP  14  -2.410  -0.075   5.021
   91    HH2  TRP  14          2HH       TRP  14  -2.733  -0.535   7.398
   92    H    CYS  15           HN       CYS  15   1.467  -2.182   0.998
   93    HA   CYS  15           HA       CYS  15  -1.168  -1.198   1.145
   94    HB2  CYS  15          2HB       CYS  15   1.162  -0.689  -0.645
   95    HB3  CYS  15          1HB       CYS  15  -0.357   0.200  -0.712
   96    H    ARG  16           HN       ARG  16   0.463  -3.543  -0.782
   97    HA   ARG  16           HA       ARG  16  -1.380  -3.624  -2.923
   98    HB2  ARG  16          2HB       ARG  16   0.853  -4.643  -3.075
   99    HB3  ARG  16          1HB       ARG  16   0.427  -5.779  -1.806
  100    HG2  ARG  16          2HG       ARG  16  -1.220  -6.819  -3.259
  101    HG3  ARG  16          1HG       ARG  16  -0.859  -5.651  -4.529
  102    HD2  ARG  16          2HD       ARG  16   1.138  -7.582  -3.347
  103    HD3  ARG  16          1HD       ARG  16   0.264  -7.849  -4.852
  104    HE   ARG  16           HE       ARG  16   1.602  -5.371  -4.926
  105   HH11  ARG  16          1HH1      ARG  16   2.258  -8.847  -5.171
  106   HH12  ARG  16          2HH1      ARG  16   3.680  -8.664  -6.078
  107   HH21  ARG  16          1HH2      ARG  16   3.560  -5.108  -6.188
  108   HH22  ARG  16          2HH2      ARG  16   4.448  -6.477  -6.649
  109    H    ASP  17           HN       ASP  17  -1.337  -4.968   0.278
  110    HA   ASP  17           HA       ASP  17  -3.749  -6.566  -0.282
  111    HB2  ASP  17          2HB       ASP  17  -1.652  -7.482   0.980
  112    HB3  ASP  17          1HB       ASP  17  -2.282  -6.554   2.318
  113    H    HIS  18           HN       HIS  18  -2.515  -4.199   2.060
  114    HA   HIS  18           HA       HIS  18  -5.169  -3.937   3.270
  115    HB2  HIS  18          2HB       HIS  18  -2.534  -2.844   4.284
  116    HB3  HIS  18          1HB       HIS  18  -4.019  -3.053   5.184
  117    HD1  HIS  18          1HD       HIS  18  -4.360  -6.179   4.320
  118    HD2  HIS  18          2HD       HIS  18  -0.964  -4.366   5.869
  119    HE1  HIS  18          1HE       HIS  18  -3.022  -8.018   5.379
  120    H    ALA  19           HN       ALA  19  -4.517  -2.751   0.733
  121    HA   ALA  19           HA       ALA  19  -3.709  -0.127   0.636
  122    HB1  ALA  19          1HB       ALA  19  -5.982  -1.314  -0.936
  123    HB2  ALA  19          2HB       ALA  19  -4.261  -1.441  -1.332
  124    HB3  ALA  19          3HB       ALA  19  -5.054   0.135  -1.340
  125    H    ARG  20           HN       ARG  20  -4.386   1.679   1.414
  126    HA   ARG  20           HA       ARG  20  -7.111   1.842   2.498
  127    HB2  ARG  20          2HB       ARG  20  -4.682   3.460   3.295
  128    HB3  ARG  20          1HB       ARG  20  -6.287   3.614   3.990
  129    HG2  ARG  20          2HG       ARG  20  -4.474   1.211   4.170
  130    HG3  ARG  20          1HG       ARG  20  -4.871   2.331   5.472
  131    HD2  ARG  20          2HD       ARG  20  -6.768   0.448   4.059
  132    HD3  ARG  20          1HD       ARG  20  -6.173   0.299   5.709
  133    HE   ARG  20           HE       ARG  20  -7.323   2.663   5.833
  134   HH11  ARG  20          1HH1      ARG  20  -8.553  -0.378   4.492
  135   HH12  ARG  20          2HH1      ARG  20 -10.184   0.017   4.714
  136   HH21  ARG  20          1HH2      ARG  20  -9.597   3.207   6.147
  137   HH22  ARG  20          2HH2      ARG  20 -10.788   2.085   5.666
  138    H    CYS  21           HN       CYS  21  -4.662   4.045   1.107
  139    HA   CYS  21           HA       CYS  21  -6.870   5.486  -0.149
  140    HB2  CYS  21          2HB       CYS  21  -3.987   6.298   0.249
  141    HB3  CYS  21          1HB       CYS  21  -5.223   7.297  -0.510
  142    H    CYS  22           HN       CYS  22  -3.511   4.494  -0.956
  143    HA   CYS  22           HA       CYS  22  -4.335   4.235  -3.714
  144    HB2  CYS  22          2HB       CYS  22  -2.156   5.311  -3.162
  145    HB3  CYS  22          1HB       CYS  22  -1.614   3.806  -2.431
  146    HN1  NH2  23          1H        CYS  22  -5.444   2.438  -4.044
  147    HN2  NH2  23          2H        CYS  22  -5.042   0.874  -3.438
  Start of MODEL   14
    1    H1   ARG   1          1HT       ARG   1   2.287   1.891   7.910
    2    H2   ARG   1          2HT       ARG   1   1.196   1.174   8.941
    3    H3   ARG   1          3HT       ARG   1   1.401   2.857   8.943
    4    HA   ARG   1           HA       ARG   1   0.453   1.312   6.623
    5    HB2  ARG   1          2HB       ARG   1  -1.764   2.403   7.083
    6    HB3  ARG   1          1HB       ARG   1  -1.317   1.053   8.091
    7    HG2  ARG   1          2HG       ARG   1  -0.760   2.497   9.924
    8    HG3  ARG   1          1HG       ARG   1  -0.968   3.927   8.906
    9    HD2  ARG   1          2HD       ARG   1  -3.122   1.942   9.554
   10    HD3  ARG   1          1HD       ARG   1  -2.913   3.499  10.365
   11    HE   ARG   1           HE       ARG   1  -2.953   3.981   7.669
   12   HH11  ARG   1          1HH1      ARG   1  -5.243   2.586  10.001
   13   HH12  ARG   1          2HH1      ARG   1  -6.620   3.295   9.319
   14   HH21  ARG   1          1HH2      ARG   1  -4.856   4.978   6.729
   15   HH22  ARG   1          2HH2      ARG   1  -6.391   4.701   7.391
   16    H    GLY   2           HN       GLY   2   1.843   2.364   5.292
   17    HA2  GLY   2          2HA       GLY   2   1.219   5.198   4.879
   18    HA3  GLY   2          1HA       GLY   2   2.714   4.423   4.410
   19    H    CYS   3           HN       CYS   3  -0.609   3.657   4.015
   20    HA   CYS   3           HA       CYS   3  -0.085   2.804   1.259
   21    HB2  CYS   3          2HB       CYS   3  -2.565   2.341   2.899
   22    HB3  CYS   3          1HB       CYS   3  -2.092   1.539   1.408
   23    H    CYS   4           HN       CYS   4  -0.799   5.489   2.568
   24    HA   CYS   4           HA       CYS   4  -2.122   6.386   0.123
   25    HB2  CYS   4          2HB       CYS   4  -2.289   7.779   2.820
   26    HB3  CYS   4          1HB       CYS   4  -3.089   8.277   1.337
   27    H    ASN   5           HN       ASN   5   0.192   6.905   2.671
   28    HA   ASN   5           HA       ASN   5   2.265   7.623   0.941
   29    HB2  ASN   5          2HB       ASN   5   0.896   9.773   1.075
   30    HB3  ASN   5          1HB       ASN   5   1.312   9.816   2.781
   31   HD21  ASN   5          1HD2      ASN   5   2.532  11.672   2.674
   32   HD22  ASN   5          2HD2      ASN   5   4.059  11.741   1.864
   33    H    GLY   6           HN       GLY   6   3.915   6.706   1.964
   34    HA2  GLY   6          2HA       GLY   6   5.059   7.290   4.291
   35    HA3  GLY   6          1HA       GLY   6   3.727   6.304   4.856
   36    H    ARG   7           HN       ARG   7   3.807   4.392   2.664
   37    HA   ARG   7           HA       ARG   7   6.004   2.807   3.660
   38    HB2  ARG   7          2HB       ARG   7   3.673   2.301   1.906
   39    HB3  ARG   7          1HB       ARG   7   5.043   1.196   1.788
   40    HG2  ARG   7          2HG       ARG   7   3.444   1.798   4.276
   41    HG3  ARG   7          1HG       ARG   7   3.193   0.404   3.229
   42    HD2  ARG   7          2HD       ARG   7   4.519  -0.356   5.063
   43    HD3  ARG   7          1HD       ARG   7   5.586  -0.230   3.686
   44    HE   ARG   7           HE       ARG   7   5.466   2.138   5.216
   45   HH11  ARG   7          1HH1      ARG   7   7.059  -1.015   4.984
   46   HH12  ARG   7          2HH1      ARG   7   8.442  -0.562   5.848
   47   HH21  ARG   7          1HH2      ARG   7   7.414   2.764   6.464
   48   HH22  ARG   7          2HH2      ARG   7   8.651   1.617   6.685
   49    H    GLY   8           HN       GLY   8   7.063   1.388   1.766
   50    HA2  GLY   8          2HA       GLY   8   8.548   3.324   0.218
   51    HA3  GLY   8          1HA       GLY   8   8.869   1.596   0.318
   52    H    GLY   9           HN       GLY   9   6.420   3.826  -0.819
   53    HA2  GLY   9          2HA       GLY   9   5.552   3.962  -2.982
   54    HA3  GLY   9          1HA       GLY   9   6.219   2.371  -3.329
   55    H    CYS  10           HN       CYS  10   3.582   3.141  -3.908
   56    HA   CYS  10           HA       CYS  10   1.894   1.944  -1.884
   57    HB2  CYS  10          2HB       CYS  10   1.212   2.993  -4.624
   58    HB3  CYS  10          1HB       CYS  10   0.070   2.520  -3.372
   59    H    SER  11           HN       SER  11   3.814   0.787  -4.287
   60    HA   SER  11           HA       SER  11   2.038  -1.366  -5.088
   61    HB2  SER  11          2HB       SER  11   3.427  -0.281  -6.835
   62    HB3  SER  11          1HB       SER  11   4.886  -0.753  -5.969
   63    HG   SER  11           HG       SER  11   4.054  -2.934  -6.189
   64    H    SER  12           HN       SER  12   3.480  -0.874  -2.345
   65    HA   SER  12           HA       SER  12   5.089  -3.152  -1.983
   66    HB2  SER  12          2HB       SER  12   4.696  -2.376   0.416
   67    HB3  SER  12          1HB       SER  12   5.532  -1.240  -0.655
   68    HG   SER  12           HG       SER  12   3.944   0.099  -0.372
   69    H    ARG  13           HN       ARG  13   4.394  -5.097  -1.035
   70    HA   ARG  13           HA       ARG  13   1.771  -5.906  -1.592
   71    HB2  ARG  13          2HB       ARG  13   3.898  -7.211   0.087
   72    HB3  ARG  13          1HB       ARG  13   2.316  -7.934  -0.139
   73    HG2  ARG  13          2HG       ARG  13   2.697  -7.956  -2.569
   74    HG3  ARG  13          1HG       ARG  13   4.309  -7.287  -2.298
   75    HD2  ARG  13          2HD       ARG  13   4.983  -9.226  -1.080
   76    HD3  ARG  13          1HD       ARG  13   3.343  -9.869  -1.082
   77    HE   ARG  13           HE       ARG  13   4.313  -9.443  -3.716
   78   HH11  ARG  13          1HH1      ARG  13   4.562 -11.724  -1.006
   79   HH12  ARG  13          2HH1      ARG  13   4.846 -13.076  -1.998
   80   HH21  ARG  13          1HH2      ARG  13   4.705 -11.293  -5.062
   81   HH22  ARG  13          2HH2      ARG  13   4.919 -12.826  -4.368
   82    H    TRP  14           HN       TRP  14   3.136  -4.655   1.305
   83    HA   TRP  14           HA       TRP  14   1.080  -5.144   3.200
   84    HB2  TRP  14          2HB       TRP  14   3.479  -3.986   3.380
   85    HB3  TRP  14          1HB       TRP  14   2.553  -2.528   3.068
   86    HD1  TRP  14          1HD       TRP  14   3.639  -4.772   5.737
   87    HE1  TRP  14          1HE       TRP  14   2.540  -4.184   7.988
   88    HE3  TRP  14          3HE       TRP  14   0.088  -1.523   4.080
   89    HZ2  TRP  14          2HZ       TRP  14   0.446  -2.554   8.930
   90    HZ3  TRP  14          3HZ       TRP  14  -1.413  -0.494   5.715
   91    HH2  TRP  14          2HH       TRP  14  -1.232  -1.006   8.098
   92    H    CYS  15           HN       CYS  15   1.564  -2.375   1.086
   93    HA   CYS  15           HA       CYS  15  -0.939  -1.283   1.832
   94    HB2  CYS  15          2HB       CYS  15   1.285  -0.553   0.108
   95    HB3  CYS  15          1HB       CYS  15  -0.209   0.391   0.107
   96    H    ARG  16           HN       ARG  16   0.098  -3.322  -0.556
   97    HA   ARG  16           HA       ARG  16  -2.126  -2.781  -2.296
   98    HB2  ARG  16          2HB       ARG  16  -0.328  -5.193  -2.084
   99    HB3  ARG  16          1HB       ARG  16  -1.631  -5.067  -3.253
  100    HG2  ARG  16          2HG       ARG  16  -0.558  -3.147  -4.282
  101    HG3  ARG  16          1HG       ARG  16   0.728  -3.205  -3.073
  102    HD2  ARG  16          2HD       ARG  16   1.386  -4.265  -5.199
  103    HD3  ARG  16          1HD       ARG  16   1.403  -5.392  -3.843
  104    HE   ARG  16           HE       ARG  16  -1.021  -5.302  -5.402
  105   HH11  ARG  16          1HH1      ARG  16   2.104  -6.919  -4.956
  106   HH12  ARG  16          2HH1      ARG  16   1.607  -8.384  -5.656
  107   HH21  ARG  16          1HH2      ARG  16  -1.708  -7.353  -6.383
  108   HH22  ARG  16          2HH2      ARG  16  -0.604  -8.636  -6.479
  109    H    ASP  17           HN       ASP  17  -1.445  -5.076   0.274
  110    HA   ASP  17           HA       ASP  17  -3.990  -6.410   0.066
  111    HB2  ASP  17          2HB       ASP  17  -1.804  -7.458   0.855
  112    HB3  ASP  17          1HB       ASP  17  -2.013  -6.540   2.329
  113    H    HIS  18           HN       HIS  18  -2.510  -4.031   2.208
  114    HA   HIS  18           HA       HIS  18  -5.002  -3.754   3.768
  115    HB2  HIS  18          2HB       HIS  18  -2.217  -2.711   4.372
  116    HB3  HIS  18          1HB       HIS  18  -3.575  -2.669   5.467
  117    HD1  HIS  18          1HD       HIS  18  -4.212  -5.859   4.778
  118    HD2  HIS  18          2HD       HIS  18  -0.697  -4.140   6.117
  119    HE1  HIS  18          1HE       HIS  18  -2.972  -7.682   5.973
  120    H    ALA  19           HN       ALA  19  -4.725  -2.714   1.160
  121    HA   ALA  19           HA       ALA  19  -3.762  -0.116   0.920
  122    HB1  ALA  19          1HB       ALA  19  -4.308  -1.558  -0.976
  123    HB2  ALA  19          2HB       ALA  19  -5.013   0.053  -1.100
  124    HB3  ALA  19          3HB       ALA  19  -6.029  -1.321  -0.643
  125    H    ARG  20           HN       ARG  20  -4.430   1.751   1.416
  126    HA   ARG  20           HA       ARG  20  -7.173   2.128   2.378
  127    HB2  ARG  20          2HB       ARG  20  -4.665   3.699   2.988
  128    HB3  ARG  20          1HB       ARG  20  -6.281   4.188   3.479
  129    HG2  ARG  20          2HG       ARG  20  -4.982   1.600   4.281
  130    HG3  ARG  20          1HG       ARG  20  -4.993   3.064   5.267
  131    HD2  ARG  20          2HD       ARG  20  -7.408   3.025   5.365
  132    HD3  ARG  20          1HD       ARG  20  -7.468   1.637   4.281
  133    HE   ARG  20           HE       ARG  20  -6.044   0.591   6.151
  134   HH11  ARG  20          1HH1      ARG  20  -8.823   2.757   6.625
  135   HH12  ARG  20          2HH1      ARG  20  -9.309   2.023   8.074
  136   HH21  ARG  20          1HH2      ARG  20  -6.727  -0.406   8.105
  137   HH22  ARG  20          2HH2      ARG  20  -8.078   0.191   8.956
  138    H    CYS  21           HN       CYS  21  -4.612   3.720   0.493
  139    HA   CYS  21           HA       CYS  21  -6.752   4.980  -1.062
  140    HB2  CYS  21          2HB       CYS  21  -4.003   6.118  -0.504
  141    HB3  CYS  21          1HB       CYS  21  -5.317   6.914  -1.358
  142    H    CYS  22           HN       CYS  22  -3.257   4.134  -1.147
  143    HA   CYS  22           HA       CYS  22  -3.667   3.133  -3.830
  144    HB2  CYS  22          2HB       CYS  22  -1.297   3.849  -4.225
  145    HB3  CYS  22          1HB       CYS  22  -2.414   5.166  -3.869
  146    HN1  NH2  23          1H        CYS  22  -3.729   0.982  -3.611
  147    HN2  NH2  23          2H        CYS  22  -2.698   0.045  -2.582
  Start of MODEL   15
    1    H1   ARG   1          1HT       ARG   1   0.701   3.582   8.308
    2    H2   ARG   1          2HT       ARG   1   1.369   2.245   7.547
    3    H3   ARG   1          3HT       ARG   1   0.123   2.039   8.636
    4    HA   ARG   1           HA       ARG   1  -0.653   1.831   6.336
    5    HB2  ARG   1          2HB       ARG   1  -2.502   3.443   6.458
    6    HB3  ARG   1          1HB       ARG   1  -2.283   2.563   7.955
    7    HG2  ARG   1          2HG       ARG   1  -1.287   4.479   9.018
    8    HG3  ARG   1          1HG       ARG   1  -1.226   5.343   7.479
    9    HD2  ARG   1          2HD       ARG   1  -3.748   4.453   8.862
   10    HD3  ARG   1          1HD       ARG   1  -3.083   6.090   8.906
   11    HE   ARG   1           HE       ARG   1  -3.307   5.319   6.254
   12   HH11  ARG   1          1HH1      ARG   1  -5.437   6.080   8.960
   13   HH12  ARG   1          2HH1      ARG   1  -6.732   6.633   8.002
   14   HH21  ARG   1          1HH2      ARG   1  -5.114   6.148   4.891
   15   HH22  ARG   1          2HH2      ARG   1  -6.516   6.692   5.671
   16    H    GLY   2           HN       GLY   2   1.870   2.865   5.658
   17    HA2  GLY   2          2HA       GLY   2   1.598   5.506   4.686
   18    HA3  GLY   2          1HA       GLY   2   2.954   4.408   4.517
   19    H    CYS   3           HN       CYS   3  -0.096   3.308   3.514
   20    HA   CYS   3           HA       CYS   3   0.729   3.260   0.758
   21    HB2  CYS   3          2HB       CYS   3  -1.962   2.579   1.942
   22    HB3  CYS   3          1HB       CYS   3  -1.338   2.085   0.376
   23    H    CYS   4           HN       CYS   4  -0.668   5.424   2.817
   24    HA   CYS   4           HA       CYS   4  -1.913   7.003   0.702
   25    HB2  CYS   4          2HB       CYS   4  -1.498   7.764   3.601
   26    HB3  CYS   4          1HB       CYS   4  -2.696   8.409   2.477
   27    H    ASN   5           HN       ASN   5   0.572   7.150   3.145
   28    HA   ASN   5           HA       ASN   5   2.622   8.179   1.497
   29    HB2  ASN   5          2HB       ASN   5   1.173  10.212   1.936
   30    HB3  ASN   5          1HB       ASN   5   1.489   9.997   3.645
   31   HD21  ASN   5          1HD2      ASN   5   2.110  12.246   1.887
   32   HD22  ASN   5          2HD2      ASN   5   3.815  12.483   2.015
   33    H    GLY   6           HN       GLY   6   4.247   6.974   2.413
   34    HA2  GLY   6          2HA       GLY   6   5.418   7.158   4.784
   35    HA3  GLY   6          1HA       GLY   6   4.013   6.210   5.229
   36    H    ARG   7           HN       ARG   7   3.950   4.624   2.780
   37    HA   ARG   7           HA       ARG   7   5.980   2.779   3.555
   38    HB2  ARG   7          2HB       ARG   7   3.613   2.575   1.706
   39    HB3  ARG   7          1HB       ARG   7   4.825   1.312   1.780
   40    HG2  ARG   7          2HG       ARG   7   3.240   2.265   4.156
   41    HG3  ARG   7          1HG       ARG   7   2.763   0.914   3.134
   42    HD2  ARG   7          2HD       ARG   7   5.364   1.071   4.684
   43    HD3  ARG   7          1HD       ARG   7   3.930   0.193   5.205
   44    HE   ARG   7           HE       ARG   7   4.981  -0.529   2.622
   45   HH11  ARG   7          1HH1      ARG   7   4.906  -1.225   6.104
   46   HH12  ARG   7          2HH1      ARG   7   5.387  -2.849   5.908
   47   HH21  ARG   7          1HH2      ARG   7   5.611  -2.848   2.400
   48   HH22  ARG   7          2HH2      ARG   7   5.744  -3.755   3.822
   49    H    GLY   8           HN       GLY   8   6.890   1.521   1.398
   50    HA2  GLY   8          2HA       GLY   8   8.253   3.461  -0.218
   51    HA3  GLY   8          1HA       GLY   8   8.396   1.710  -0.330
   52    H    GLY   9           HN       GLY   9   6.038   4.262  -0.922
   53    HA2  GLY   9          2HA       GLY   9   4.924   4.766  -2.903
   54    HA3  GLY   9          1HA       GLY   9   5.617   3.310  -3.620
   55    H    CYS  10           HN       CYS  10   3.658   2.601  -4.418
   56    HA   CYS  10           HA       CYS  10   1.686   1.713  -2.405
   57    HB2  CYS  10          2HB       CYS  10   1.344   1.862  -5.407
   58    HB3  CYS  10          1HB       CYS  10   0.098   1.566  -4.204
   59    H    SER  11           HN       SER  11   4.219   0.722  -4.430
   60    HA   SER  11           HA       SER  11   3.361  -1.665  -5.465
   61    HB2  SER  11          2HB       SER  11   6.075  -0.513  -5.012
   62    HB3  SER  11          1HB       SER  11   5.539  -1.650  -6.252
   63    HG   SER  11           HG       SER  11   4.229  -0.066  -7.121
   64    H    SER  12           HN       SER  12   3.562  -1.313  -2.256
   65    HA   SER  12           HA       SER  12   5.211  -3.704  -1.900
   66    HB2  SER  12          2HB       SER  12   5.741  -1.606  -0.499
   67    HB3  SER  12          1HB       SER  12   4.192  -1.933   0.298
   68    HG   SER  12           HG       SER  12   6.461  -3.590   0.218
   69    H    ARG  13           HN       ARG  13   4.385  -5.284  -0.419
   70    HA   ARG  13           HA       ARG  13   1.815  -6.168  -1.265
   71    HB2  ARG  13          2HB       ARG  13   3.565  -7.264   0.932
   72    HB3  ARG  13          1HB       ARG  13   2.113  -8.047   0.335
   73    HG2  ARG  13          2HG       ARG  13   3.141  -8.226  -1.878
   74    HG3  ARG  13          1HG       ARG  13   4.609  -7.483  -1.243
   75    HD2  ARG  13          2HD       ARG  13   3.374 -10.048  -0.254
   76    HD3  ARG  13          1HD       ARG  13   4.753  -9.945  -1.339
   77    HE   ARG  13           HE       ARG  13   5.598  -8.513   0.737
   78   HH11  ARG  13          1HH1      ARG  13   4.071 -11.685   0.620
   79   HH12  ARG  13          2HH1      ARG  13   4.891 -12.336   1.959
   80   HH21  ARG  13          1HH2      ARG  13   6.796  -9.394   2.583
   81   HH22  ARG  13          2HH2      ARG  13   6.507 -10.995   3.085
   82    H    TRP  14           HN       TRP  14   2.849  -4.522   1.585
   83    HA   TRP  14           HA       TRP  14   0.587  -4.806   3.267
   84    HB2  TRP  14          2HB       TRP  14   2.959  -3.532   3.483
   85    HB3  TRP  14          1HB       TRP  14   1.975  -2.171   2.986
   86    HD1  TRP  14          1HD       TRP  14   3.012  -4.127   5.908
   87    HE1  TRP  14          1HE       TRP  14   1.817  -3.370   8.031
   88    HE3  TRP  14          3HE       TRP  14  -0.566  -1.176   3.775
   89    HZ2  TRP  14          2HZ       TRP  14  -0.377  -1.712   8.728
   90    HZ3  TRP  14          3HZ       TRP  14  -2.172  -0.037   5.252
   91    HH2  TRP  14          2HH       TRP  14  -2.075  -0.299   7.666
   92    H    CYS  15           HN       CYS  15   1.203  -2.649   0.581
   93    HA   CYS  15           HA       CYS  15  -1.315  -1.337   0.901
   94    HB2  CYS  15          2HB       CYS  15   0.845  -1.187  -1.104
   95    HB3  CYS  15          1HB       CYS  15  -0.539  -0.080  -0.942
   96    H    ARG  16           HN       ARG  16  -0.094  -4.020  -0.629
   97    HA   ARG  16           HA       ARG  16  -2.144  -4.069  -2.671
   98    HB2  ARG  16          2HB       ARG  16  -0.148  -6.198  -1.895
   99    HB3  ARG  16          1HB       ARG  16  -1.331  -6.335  -3.190
  100    HG2  ARG  16          2HG       ARG  16   0.791  -4.203  -3.117
  101    HG3  ARG  16          1HG       ARG  16   0.984  -5.749  -3.939
  102    HD2  ARG  16          2HD       ARG  16   0.302  -4.028  -5.526
  103    HD3  ARG  16          1HD       ARG  16  -0.970  -5.231  -5.344
  104    HE   ARG  16           HE       ARG  16  -1.271  -2.996  -3.614
  105   HH11  ARG  16          1HH1      ARG  16  -1.892  -4.102  -6.905
  106   HH12  ARG  16          2HH1      ARG  16  -3.215  -3.073  -7.166
  107   HH21  ARG  16          1HH2      ARG  16  -3.163  -1.623  -3.943
  108   HH22  ARG  16          2HH2      ARG  16  -3.951  -1.640  -5.453
  109    H    ASP  17           HN       ASP  17  -1.747  -5.218   0.535
  110    HA   ASP  17           HA       ASP  17  -4.266  -6.728   0.269
  111    HB2  ASP  17          2HB       ASP  17  -2.142  -7.736   1.378
  112    HB3  ASP  17          1HB       ASP  17  -2.527  -6.668   2.694
  113    H    HIS  18           HN       HIS  18  -2.746  -4.136   2.120
  114    HA   HIS  18           HA       HIS  18  -5.263  -3.671   3.569
  115    HB2  HIS  18          2HB       HIS  18  -2.534  -2.616   4.309
  116    HB3  HIS  18          1HB       HIS  18  -3.948  -2.748   5.329
  117    HD1  HIS  18          1HD       HIS  18  -4.568  -5.708   5.237
  118    HD2  HIS  18          2HD       HIS  18  -0.700  -4.255   5.268
  119    HE1  HIS  18          1HE       HIS  18  -3.152  -7.572   6.137
  120    H    ALA  19           HN       ALA  19  -4.891  -2.772   0.930
  121    HA   ALA  19           HA       ALA  19  -3.852  -0.134   0.776
  122    HB1  ALA  19          1HB       ALA  19  -4.915  -0.002  -1.384
  123    HB2  ALA  19          2HB       ALA  19  -5.893  -1.420  -1.022
  124    HB3  ALA  19          3HB       ALA  19  -4.141  -1.576  -1.190
  125    H    ARG  20           HN       ARG  20  -4.736   1.242   2.255
  126    HA   ARG  20           HA       ARG  20  -7.599   1.640   2.324
  127    HB2  ARG  20          2HB       ARG  20  -6.274   1.864   4.385
  128    HB3  ARG  20          1HB       ARG  20  -5.361   3.181   3.659
  129    HG2  ARG  20          2HG       ARG  20  -6.981   4.096   5.160
  130    HG3  ARG  20          1HG       ARG  20  -7.453   4.475   3.501
  131    HD2  ARG  20          2HD       ARG  20  -9.050   2.613   3.540
  132    HD3  ARG  20          1HD       ARG  20  -8.560   2.253   5.197
  133    HE   ARG  20           HE       ARG  20  -9.615   4.882   4.548
  134   HH11  ARG  20          1HH1      ARG  20 -10.035   1.773   6.204
  135   HH12  ARG  20          2HH1      ARG  20 -11.320   2.288   7.191
  136   HH21  ARG  20          1HH2      ARG  20 -11.361   5.628   5.903
  137   HH22  ARG  20          2HH2      ARG  20 -12.081   4.565   7.029
  138    H    CYS  21           HN       CYS  21  -4.705   3.400   1.364
  139    HA   CYS  21           HA       CYS  21  -6.407   5.263  -0.127
  140    HB2  CYS  21          2HB       CYS  21  -3.512   5.577   0.672
  141    HB3  CYS  21          1HB       CYS  21  -4.499   6.808  -0.106
  142    H    CYS  22           HN       CYS  22  -3.066   3.948  -0.604
  143    HA   CYS  22           HA       CYS  22  -3.854   3.242  -3.311
  144    HB2  CYS  22          2HB       CYS  22  -2.627   5.389  -3.352
  145    HB3  CYS  22          1HB       CYS  22  -1.299   4.637  -2.485
  146    HN1  NH2  23          1H        CYS  22  -3.812   1.121  -3.141
  147    HN2  NH2  23          2H        CYS  22  -2.555   0.153  -2.435
  Start of MODEL   16
    1    H1   ARG   1          1HT       ARG   1  -1.732   5.072   7.704
    2    H2   ARG   1          2HT       ARG   1  -0.206   4.941   8.345
    3    H3   ARG   1          3HT       ARG   1  -1.415   3.959   8.947
    4    HA   ARG   1           HA       ARG   1   0.122   2.801   7.559
    5    HB2  ARG   1          2HB       ARG   1  -1.406   1.617   6.120
    6    HB3  ARG   1          1HB       ARG   1  -2.281   2.092   7.547
    7    HG2  ARG   1          2HG       ARG   1  -2.463   3.524   4.894
    8    HG3  ARG   1          1HG       ARG   1  -3.561   2.251   5.408
    9    HD2  ARG   1          2HD       ARG   1  -3.154   4.933   6.721
   10    HD3  ARG   1          1HD       ARG   1  -4.543   4.433   5.768
   11    HE   ARG   1           HE       ARG   1  -4.246   2.603   7.825
   12   HH11  ARG   1          1HH1      ARG   1  -5.086   6.043   7.474
   13   HH12  ARG   1          2HH1      ARG   1  -6.021   6.093   8.883
   14   HH21  ARG   1          1HH2      ARG   1  -5.574   2.678   9.727
   15   HH22  ARG   1          2HH2      ARG   1  -6.343   4.139  10.163
   16    H    GLY   2           HN       GLY   2   1.564   2.822   5.872
   17    HA2  GLY   2          2HA       GLY   2   1.833   5.276   4.506
   18    HA3  GLY   2          1HA       GLY   2   2.871   3.876   4.347
   19    H    CYS   3           HN       CYS   3  -0.252   2.980   3.830
   20    HA   CYS   3           HA       CYS   3   0.100   2.857   0.956
   21    HB2  CYS   3          2HB       CYS   3  -2.231   1.989   2.641
   22    HB3  CYS   3          1HB       CYS   3  -1.943   1.574   0.955
   23    H    CYS   4           HN       CYS   4  -0.455   5.215   2.647
   24    HA   CYS   4           HA       CYS   4  -2.261   6.505   0.744
   25    HB2  CYS   4          2HB       CYS   4  -1.806   7.315   3.644
   26    HB3  CYS   4          1HB       CYS   4  -2.921   8.084   2.514
   27    H    ASN   5           HN       ASN   5   0.467   6.813   2.940
   28    HA   ASN   5           HA       ASN   5   2.347   7.525   1.060
   29    HB2  ASN   5          2HB       ASN   5   1.002   9.693   1.240
   30    HB3  ASN   5          1HB       ASN   5   1.567   9.810   2.894
   31   HD21  ASN   5          1HD2      ASN   5   2.121  11.657   0.709
   32   HD22  ASN   5          2HD2      ASN   5   3.830  11.719   0.537
   33    H    GLY   6           HN       GLY   6   4.131   6.766   2.043
   34    HA2  GLY   6          2HA       GLY   6   5.523   7.195   4.127
   35    HA3  GLY   6          1HA       GLY   6   4.107   6.614   4.995
   36    H    ARG   7           HN       ARG   7   4.200   4.830   2.291
   37    HA   ARG   7           HA       ARG   7   5.552   2.658   3.689
   38    HB2  ARG   7          2HB       ARG   7   3.181   2.468   2.602
   39    HB3  ARG   7          1HB       ARG   7   4.060   2.486   1.087
   40    HG2  ARG   7          2HG       ARG   7   3.470   0.238   1.577
   41    HG3  ARG   7          1HG       ARG   7   5.210   0.407   1.754
   42    HD2  ARG   7          2HD       ARG   7   3.223   0.445   4.037
   43    HD3  ARG   7          1HD       ARG   7   4.144  -0.970   3.551
   44    HE   ARG   7           HE       ARG   7   5.994   0.958   3.970
   45   HH11  ARG   7          1HH1      ARG   7   3.482  -0.560   5.995
   46   HH12  ARG   7          2HH1      ARG   7   4.363  -0.351   7.431
   47   HH21  ARG   7          1HH2      ARG   7   7.146   1.218   5.933
   48   HH22  ARG   7          2HH2      ARG   7   6.496   0.671   7.406
   49    H    GLY   8           HN       GLY   8   6.852   1.174   1.817
   50    HA2  GLY   8          2HA       GLY   8   8.740   2.920   0.592
   51    HA3  GLY   8          1HA       GLY   8   8.712   1.162   0.494
   52    H    GLY   9           HN       GLY   9   5.758   1.703  -0.292
   53    HA2  GLY   9          2HA       GLY   9   5.654   3.050  -2.707
   54    HA3  GLY   9          1HA       GLY   9   6.022   1.355  -3.034
   55    H    CYS  10           HN       CYS  10   3.602   2.891  -3.637
   56    HA   CYS  10           HA       CYS  10   1.551   2.023  -1.864
   57    HB2  CYS  10          2HB       CYS  10   1.441   3.104  -4.662
   58    HB3  CYS  10          1HB       CYS  10   0.014   2.641  -3.744
   59    H    SER  11           HN       SER  11   3.210   0.537  -4.433
   60    HA   SER  11           HA       SER  11   1.142  -1.504  -4.504
   61    HB2  SER  11          2HB       SER  11   1.751  -0.469  -6.704
   62    HB3  SER  11          1HB       SER  11   3.393  -1.075  -6.501
   63    HG   SER  11           HG       SER  11   2.681  -3.115  -6.635
   64    H    SER  12           HN       SER  12   3.515  -0.933  -2.569
   65    HA   SER  12           HA       SER  12   5.092  -3.292  -2.740
   66    HB2  SER  12          2HB       SER  12   5.714  -1.237  -1.362
   67    HB3  SER  12          1HB       SER  12   4.415  -1.716  -0.255
   68    HG   SER  12           HG       SER  12   6.054  -2.714   0.655
   69    H    ARG  13           HN       ARG  13   4.872  -5.019  -1.162
   70    HA   ARG  13           HA       ARG  13   2.375  -6.331  -1.487
   71    HB2  ARG  13          2HB       ARG  13   4.496  -7.524  -1.233
   72    HB3  ARG  13          1HB       ARG  13   4.586  -7.006   0.441
   73    HG2  ARG  13          2HG       ARG  13   2.656  -8.317   1.007
   74    HG3  ARG  13          1HG       ARG  13   2.399  -8.729  -0.692
   75    HD2  ARG  13          2HD       ARG  13   4.808  -9.459   0.960
   76    HD3  ARG  13          1HD       ARG  13   3.493 -10.545   0.494
   77    HE   ARG  13           HE       ARG  13   4.495  -9.399  -1.823
   78   HH11  ARG  13          1HH1      ARG  13   5.650 -11.619   0.674
   79   HH12  ARG  13          2HH1      ARG  13   6.726 -12.434  -0.365
   80   HH21  ARG  13          1HH2      ARG  13   5.896 -10.480  -3.218
   81   HH22  ARG  13          2HH2      ARG  13   6.870 -11.772  -2.670
   82    H    TRP  14           HN       TRP  14   3.626  -4.683   1.304
   83    HA   TRP  14           HA       TRP  14   1.545  -5.185   3.171
   84    HB2  TRP  14          2HB       TRP  14   3.857  -3.933   3.345
   85    HB3  TRP  14          1HB       TRP  14   2.919  -2.530   2.859
   86    HD1  TRP  14          1HD       TRP  14   3.619  -4.847   5.746
   87    HE1  TRP  14          1HE       TRP  14   2.604  -3.871   7.902
   88    HE3  TRP  14          3HE       TRP  14   0.989  -1.026   3.710
   89    HZ2  TRP  14          2HZ       TRP  14   0.902  -1.735   8.627
   90    HZ3  TRP  14          3HZ       TRP  14  -0.283   0.431   5.154
   91    HH2  TRP  14          2HH       TRP  14  -0.332   0.093   7.597
   92    H    CYS  15           HN       CYS  15   1.798  -2.830   0.600
   93    HA   CYS  15           HA       CYS  15  -0.738  -1.704   1.252
   94    HB2  CYS  15          2HB       CYS  15   1.402  -1.187  -0.685
   95    HB3  CYS  15          1HB       CYS  15  -0.152  -0.378  -0.821
   96    H    ARG  16           HN       ARG  16   0.507  -4.070  -0.878
   97    HA   ARG  16           HA       ARG  16  -1.612  -4.093  -2.770
   98    HB2  ARG  16          2HB       ARG  16   0.011  -6.434  -1.728
   99    HB3  ARG  16          1HB       ARG  16  -1.037  -6.503  -3.129
  100    HG2  ARG  16          2HG       ARG  16   1.445  -4.819  -2.852
  101    HG3  ARG  16          1HG       ARG  16   1.307  -6.322  -3.759
  102    HD2  ARG  16          2HD       ARG  16  -0.158  -3.744  -4.326
  103    HD3  ARG  16          1HD       ARG  16   1.209  -4.383  -5.228
  104    HE   ARG  16           HE       ARG  16  -0.993  -6.190  -5.088
  105   HH11  ARG  16          1HH1      ARG  16   0.447  -3.511  -6.959
  106   HH12  ARG  16          2HH1      ARG  16  -0.538  -3.749  -8.304
  107   HH21  ARG  16          1HH2      ARG  16  -2.312  -6.530  -6.940
  108   HH22  ARG  16          2HH2      ARG  16  -2.180  -5.531  -8.314
  109    H    ASP  17           HN       ASP  17  -1.187  -5.365   0.392
  110    HA   ASP  17           HA       ASP  17  -3.835  -6.606   0.437
  111    HB2  ASP  17          2HB       ASP  17  -1.771  -7.592   1.602
  112    HB3  ASP  17          1HB       ASP  17  -1.936  -6.282   2.747
  113    H    HIS  18           HN       HIS  18  -2.113  -4.008   2.188
  114    HA   HIS  18           HA       HIS  18  -4.548  -3.295   3.630
  115    HB2  HIS  18          2HB       HIS  18  -1.724  -2.252   4.054
  116    HB3  HIS  18          1HB       HIS  18  -3.079  -2.070   5.145
  117    HD1  HIS  18          1HD       HIS  18  -3.757  -5.350   4.822
  118    HD2  HIS  18          2HD       HIS  18  -0.175  -3.563   5.880
  119    HE1  HIS  18          1HE       HIS  18  -2.550  -7.013   6.250
  120    H    ALA  19           HN       ALA  19  -4.094  -2.574   0.796
  121    HA   ALA  19           HA       ALA  19  -3.538   0.153   0.426
  122    HB1  ALA  19          1HB       ALA  19  -3.818  -1.413  -1.441
  123    HB2  ALA  19          2HB       ALA  19  -4.800   0.040  -1.635
  124    HB3  ALA  19          3HB       ALA  19  -5.556  -1.474  -1.122
  125    H    ARG  20           HN       ARG  20  -4.403   1.713   1.564
  126    HA   ARG  20           HA       ARG  20  -7.267   1.616   2.176
  127    HB2  ARG  20          2HB       ARG  20  -5.588   1.860   4.051
  128    HB3  ARG  20          1HB       ARG  20  -5.201   3.444   3.408
  129    HG2  ARG  20          2HG       ARG  20  -6.694   3.785   5.230
  130    HG3  ARG  20          1HG       ARG  20  -7.621   4.068   3.760
  131    HD2  ARG  20          2HD       ARG  20  -7.627   1.477   5.326
  132    HD3  ARG  20          1HD       ARG  20  -8.842   2.738   5.491
  133    HE   ARG  20           HE       ARG  20  -9.106   2.310   2.961
  134   HH11  ARG  20          1HH1      ARG  20  -8.660  -0.168   5.461
  135   HH12  ARG  20          2HH1      ARG  20  -9.385  -1.395   4.536
  136   HH21  ARG  20          1HH2      ARG  20 -10.088   0.599   1.714
  137   HH22  ARG  20          2HH2      ARG  20 -10.223  -0.956   2.374
  138    H    CYS  21           HN       CYS  21  -4.817   4.092   1.276
  139    HA   CYS  21           HA       CYS  21  -7.010   5.620   0.043
  140    HB2  CYS  21          2HB       CYS  21  -4.223   6.622   0.590
  141    HB3  CYS  21          1HB       CYS  21  -5.687   7.557   0.322
  142    H    CYS  22           HN       CYS  22  -3.592   4.824  -0.464
  143    HA   CYS  22           HA       CYS  22  -3.813   5.422  -3.278
  144    HB2  CYS  22          2HB       CYS  22  -1.977   6.396  -1.927
  145    HB3  CYS  22          1HB       CYS  22  -1.440   4.789  -1.488
  146    HN1  NH2  23          1H        CYS  22  -1.728   2.945  -1.850
  147    HN2  NH2  23          2H        CYS  22  -2.428   1.615  -2.705
  Start of MODEL   17
    1    H1   ARG   1          1HT       ARG   1   0.843   3.511   8.940
    2    H2   ARG   1          2HT       ARG   1   2.157   2.722   8.233
    3    H3   ARG   1          3HT       ARG   1   1.063   1.844   9.147
    4    HA   ARG   1           HA       ARG   1   0.819   1.507   6.795
    5    HB2  ARG   1          2HB       ARG   1  -1.658   2.099   6.614
    6    HB3  ARG   1          1HB       ARG   1  -1.186   1.071   7.950
    7    HG2  ARG   1          2HG       ARG   1  -1.326   2.939   9.477
    8    HG3  ARG   1          1HG       ARG   1  -1.655   4.037   8.136
    9    HD2  ARG   1          2HD       ARG   1  -3.697   3.441   9.363
   10    HD3  ARG   1          1HD       ARG   1  -3.748   2.889   7.692
   11    HE   ARG   1           HE       ARG   1  -2.741   0.847   9.299
   12   HH11  ARG   1          1HH1      ARG   1  -5.789   2.591   8.761
   13   HH12  ARG   1          2HH1      ARG   1  -6.802   1.278   9.146
   14   HH21  ARG   1          1HH2      ARG   1  -4.199  -1.014   9.841
   15   HH22  ARG   1          2HH2      ARG   1  -5.878  -0.785   9.748
   16    H    GLY   2           HN       GLY   2   2.047   2.646   5.340
   17    HA2  GLY   2          2HA       GLY   2   1.286   5.395   4.739
   18    HA3  GLY   2          1HA       GLY   2   2.734   4.590   4.203
   19    H    CYS   3           HN       CYS   3  -0.575   3.675   4.030
   20    HA   CYS   3           HA       CYS   3  -0.184   2.979   1.217
   21    HB2  CYS   3          2HB       CYS   3  -2.494   2.303   3.011
   22    HB3  CYS   3          1HB       CYS   3  -2.175   1.657   1.409
   23    H    CYS   4           HN       CYS   4  -0.845   5.568   2.610
   24    HA   CYS   4           HA       CYS   4  -2.534   6.473   0.397
   25    HB2  CYS   4          2HB       CYS   4  -2.099   7.983   3.000
   26    HB3  CYS   4          1HB       CYS   4  -3.266   8.342   1.745
   27    H    ASN   5           HN       ASN   5   0.116   7.188   2.582
   28    HA   ASN   5           HA       ASN   5   2.024   7.554   0.606
   29    HB2  ASN   5          2HB       ASN   5   0.679   9.714   0.414
   30    HB3  ASN   5          1HB       ASN   5   1.255  10.117   2.018
   31   HD21  ASN   5          1HD2      ASN   5   2.411  11.926   1.314
   32   HD22  ASN   5          2HD2      ASN   5   3.863  11.796   0.398
   33    H    GLY   6           HN       GLY   6   3.762   6.856   1.645
   34    HA2  GLY   6          2HA       GLY   6   5.105   7.784   3.736
   35    HA3  GLY   6          1HA       GLY   6   3.790   6.974   4.572
   36    H    ARG   7           HN       ARG   7   3.710   4.821   2.514
   37    HA   ARG   7           HA       ARG   7   5.730   3.183   3.771
   38    HB2  ARG   7          2HB       ARG   7   3.493   2.257   3.421
   39    HB3  ARG   7          1HB       ARG   7   3.625   2.521   1.693
   40    HG2  ARG   7          2HG       ARG   7   3.999   0.269   1.827
   41    HG3  ARG   7          1HG       ARG   7   5.648   0.875   1.905
   42    HD2  ARG   7          2HD       ARG   7   3.941  -0.002   4.248
   43    HD3  ARG   7          1HD       ARG   7   5.266  -0.908   3.546
   44    HE   ARG   7           HE       ARG   7   6.013   1.699   4.495
   45   HH11  ARG   7          1HH1      ARG   7   5.739  -1.729   5.343
   46   HH12  ARG   7          2HH1      ARG   7   6.588  -1.584   6.801
   47   HH21  ARG   7          1HH2      ARG   7   7.236   1.878   6.480
   48   HH22  ARG   7          2HH2      ARG   7   7.465   0.530   7.470
   49    H    GLY   8           HN       GLY   8   7.433   2.196   2.636
   50    HA2  GLY   8          2HA       GLY   8   8.419   3.597   0.358
   51    HA3  GLY   8          1HA       GLY   8   9.146   2.168   1.088
   52    H    GLY   9           HN       GLY   9   6.709   3.312  -1.085
   53    HA2  GLY   9          2HA       GLY   9   6.212   2.403  -3.150
   54    HA3  GLY   9          1HA       GLY   9   6.817   0.839  -2.672
   55    H    CYS  10           HN       CYS  10   4.238   2.391  -3.426
   56    HA   CYS  10           HA       CYS  10   2.434   1.354  -1.408
   57    HB2  CYS  10          2HB       CYS  10   1.951   3.553  -2.485
   58    HB3  CYS  10          1HB       CYS  10   1.698   2.716  -4.016
   59    H    SER  11           HN       SER  11   3.716   0.383  -4.392
   60    HA   SER  11           HA       SER  11   1.638  -1.545  -4.912
   61    HB2  SER  11          2HB       SER  11   2.925  -0.363  -6.739
   62    HB3  SER  11          1HB       SER  11   4.342  -1.290  -6.263
   63    HG   SER  11           HG       SER  11   3.627  -2.669  -7.610
   64    H    SER  12           HN       SER  12   4.048  -1.369  -2.716
   65    HA   SER  12           HA       SER  12   5.116  -4.012  -2.728
   66    HB2  SER  12          2HB       SER  12   6.067  -1.915  -1.532
   67    HB3  SER  12          1HB       SER  12   4.760  -2.190  -0.372
   68    HG   SER  12           HG       SER  12   6.869  -3.964  -0.984
   69    H    ARG  13           HN       ARG  13   4.527  -5.564  -1.012
   70    HA   ARG  13           HA       ARG  13   1.877  -6.317  -1.394
   71    HB2  ARG  13          2HB       ARG  13   3.480  -8.021  -0.965
   72    HB3  ARG  13          1HB       ARG  13   3.830  -7.372   0.629
   73    HG2  ARG  13          2HG       ARG  13   1.761  -8.120   1.488
   74    HG3  ARG  13          1HG       ARG  13   1.123  -8.443  -0.123
   75    HD2  ARG  13          2HD       ARG  13   3.454  -9.884   1.134
   76    HD3  ARG  13          1HD       ARG  13   1.799 -10.497   1.078
   77    HE   ARG  13           HE       ARG  13   2.421  -9.866  -1.500
   78   HH11  ARG  13          1HH1      ARG  13   3.872 -12.032   0.890
   79   HH12  ARG  13          2HH1      ARG  13   4.309 -13.225  -0.245
   80   HH21  ARG  13          1HH2      ARG  13   3.084 -11.473  -3.061
   81   HH22  ARG  13          2HH2      ARG  13   3.882 -12.885  -2.546
   82    H    TRP  14           HN       TRP  14   3.198  -4.608   1.339
   83    HA   TRP  14           HA       TRP  14   1.046  -4.969   3.100
   84    HB2  TRP  14          2HB       TRP  14   3.427  -3.764   3.381
   85    HB3  TRP  14          1HB       TRP  14   2.447  -2.334   3.086
   86    HD1  TRP  14          1HD       TRP  14   3.482  -4.693   5.726
   87    HE1  TRP  14          1HE       TRP  14   2.258  -4.222   7.933
   88    HE3  TRP  14          3HE       TRP  14  -0.066  -1.460   4.006
   89    HZ2  TRP  14          2HZ       TRP  14   0.057  -2.684   8.825
   90    HZ3  TRP  14          3HZ       TRP  14  -1.686  -0.539   5.595
   91    HH2  TRP  14          2HH       TRP  14  -1.622  -1.142   7.957
   92    H    CYS  15           HN       CYS  15   1.618  -2.248   0.932
   93    HA   CYS  15           HA       CYS  15  -0.994  -1.275   1.435
   94    HB2  CYS  15          2HB       CYS  15   1.277  -0.451  -0.269
   95    HB3  CYS  15          1HB       CYS  15  -0.249   0.422  -0.230
   96    H    ARG  16           HN       ARG  16   0.516  -3.262  -0.925
   97    HA   ARG  16           HA       ARG  16  -1.404  -3.015  -2.978
   98    HB2  ARG  16          2HB       ARG  16   0.797  -4.162  -3.263
   99    HB3  ARG  16          1HB       ARG  16   0.220  -5.455  -2.223
  100    HG2  ARG  16          2HG       ARG  16  -1.566  -5.925  -3.864
  101    HG3  ARG  16          1HG       ARG  16  -0.867  -4.708  -4.929
  102    HD2  ARG  16          2HD       ARG  16   0.528  -7.182  -3.926
  103    HD3  ARG  16          1HD       ARG  16  -0.182  -6.998  -5.525
  104    HE   ARG  16           HE       ARG  16   1.879  -5.072  -4.792
  105   HH11  ARG  16          1HH1      ARG  16   1.124  -8.090  -6.494
  106   HH12  ARG  16          2HH1      ARG  16   2.556  -8.066  -7.419
  107   HH21  ARG  16          1HH2      ARG  16   3.836  -5.067  -6.049
  108   HH22  ARG  16          2HH2      ARG  16   4.133  -6.340  -7.156
  109    H    ASP  17           HN       ASP  17  -1.309  -4.785   0.023
  110    HA   ASP  17           HA       ASP  17  -3.779  -6.234  -0.609
  111    HB2  ASP  17          2HB       ASP  17  -1.694  -7.294   0.536
  112    HB3  ASP  17          1HB       ASP  17  -2.197  -6.372   1.920
  113    H    HIS  18           HN       HIS  18  -2.425  -4.114   1.910
  114    HA   HIS  18           HA       HIS  18  -5.006  -3.948   3.270
  115    HB2  HIS  18          2HB       HIS  18  -2.324  -2.874   4.184
  116    HB3  HIS  18          1HB       HIS  18  -3.739  -3.171   5.164
  117    HD1  HIS  18          1HD       HIS  18  -3.799  -6.290   3.635
  118    HD2  HIS  18          2HD       HIS  18  -0.926  -4.441   6.012
  119    HE1  HIS  18          1HE       HIS  18  -2.458  -8.122   4.615
  120    H    ALA  19           HN       ALA  19  -4.489  -2.564   0.811
  121    HA   ALA  19           HA       ALA  19  -3.718   0.063   0.783
  122    HB1  ALA  19          1HB       ALA  19  -5.127   0.398  -1.091
  123    HB2  ALA  19          2HB       ALA  19  -6.127  -0.990  -0.647
  124    HB3  ALA  19          3HB       ALA  19  -4.448  -1.232  -1.151
  125    H    ARG  20           HN       ARG  20  -4.339   1.845   1.701
  126    HA   ARG  20           HA       ARG  20  -6.979   1.939   2.983
  127    HB2  ARG  20          2HB       ARG  20  -4.508   3.558   3.606
  128    HB3  ARG  20          1HB       ARG  20  -6.067   3.796   4.371
  129    HG2  ARG  20          2HG       ARG  20  -4.437   1.255   4.530
  130    HG3  ARG  20          1HG       ARG  20  -4.475   2.508   5.765
  131    HD2  ARG  20          2HD       ARG  20  -5.957   0.757   6.474
  132    HD3  ARG  20          1HD       ARG  20  -6.953   2.111   5.962
  133    HE   ARG  20           HE       ARG  20  -6.445   0.139   3.931
  134   HH11  ARG  20          1HH1      ARG  20  -8.633   0.973   6.592
  135   HH12  ARG  20          2HH1      ARG  20  -9.980   0.238   5.866
  136   HH21  ARG  20          1HH2      ARG  20  -8.285  -0.868   2.982
  137   HH22  ARG  20          2HH2      ARG  20  -9.791  -0.855   3.794
  138    H    CYS  21           HN       CYS  21  -4.810   3.908   0.983
  139    HA   CYS  21           HA       CYS  21  -7.197   5.355   0.019
  140    HB2  CYS  21          2HB       CYS  21  -4.452   6.588   0.347
  141    HB3  CYS  21          1HB       CYS  21  -5.938   7.408  -0.099
  142    H    CYS  22           HN       CYS  22  -3.965   4.151  -0.563
  143    HA   CYS  22           HA       CYS  22  -4.315   4.259  -3.449
  144    HB2  CYS  22          2HB       CYS  22  -2.334   5.417  -2.806
  145    HB3  CYS  22          1HB       CYS  22  -1.946   4.230  -1.574
  146    HN1  NH2  23          1H        CYS  22  -5.303   2.387  -3.975
  147    HN2  NH2  23          2H        CYS  22  -4.857   0.821  -3.406
  Start of MODEL   18
    1    H1   ARG   1          1HT       ARG   1  -1.972   1.869   6.706
    2    H2   ARG   1          2HT       ARG   1  -2.372   3.322   7.401
    3    H3   ARG   1          3HT       ARG   1  -2.116   1.996   8.395
    4    HA   ARG   1           HA       ARG   1  -0.319   3.547   8.495
    5    HB2  ARG   1          2HB       ARG   1   0.021   0.968   8.410
    6    HB3  ARG   1          1HB       ARG   1   0.619   1.232   6.787
    7    HG2  ARG   1          2HG       ARG   1   2.489   2.451   7.582
    8    HG3  ARG   1          1HG       ARG   1   1.823   2.557   9.214
    9    HD2  ARG   1          2HD       ARG   1   2.680   0.041   7.790
   10    HD3  ARG   1          1HD       ARG   1   3.593   0.873   9.050
   11    HE   ARG   1           HE       ARG   1   0.997   0.263   9.976
   12   HH11  ARG   1          1HH1      ARG   1   4.031  -1.438   9.261
   13   HH12  ARG   1          2HH1      ARG   1   3.743  -2.674  10.382
   14   HH21  ARG   1          1HH2      ARG   1   0.621  -1.420  11.467
   15   HH22  ARG   1          2HH2      ARG   1   1.757  -2.665  11.693
   16    H    GLY   2           HN       GLY   2   1.924   3.515   6.422
   17    HA2  GLY   2          2HA       GLY   2   1.067   5.895   5.141
   18    HA3  GLY   2          1HA       GLY   2   2.590   5.088   5.021
   19    H    CYS   3           HN       CYS   3  -0.479   3.822   4.075
   20    HA   CYS   3           HA       CYS   3   0.602   3.445   1.386
   21    HB2  CYS   3          2HB       CYS   3  -1.999   2.524   2.557
   22    HB3  CYS   3          1HB       CYS   3  -1.399   2.089   0.958
   23    H    CYS   4           HN       CYS   4  -0.631   5.882   2.811
   24    HA   CYS   4           HA       CYS   4  -1.782   6.907   0.318
   25    HB2  CYS   4          2HB       CYS   4  -2.111   8.174   3.060
   26    HB3  CYS   4          1HB       CYS   4  -3.010   8.532   1.596
   27    H    ASN   5           HN       ASN   5   0.353   7.395   3.037
   28    HA   ASN   5           HA       ASN   5   2.501   8.320   1.464
   29    HB2  ASN   5          2HB       ASN   5   1.091  10.408   1.721
   30    HB3  ASN   5          1HB       ASN   5   1.339  10.290   3.450
   31   HD21  ASN   5          1HD2      ASN   5   2.145  12.452   1.712
   32   HD22  ASN   5          2HD2      ASN   5   3.855  12.611   1.819
   33    H    GLY   6           HN       GLY   6   4.076   7.224   2.444
   34    HA2  GLY   6          2HA       GLY   6   5.352   7.613   4.681
   35    HA3  GLY   6          1HA       GLY   6   3.924   6.871   5.364
   36    H    ARG   7           HN       ARG   7   3.759   4.952   3.037
   37    HA   ARG   7           HA       ARG   7   5.794   3.154   4.090
   38    HB2  ARG   7          2HB       ARG   7   3.270   2.534   4.065
   39    HB3  ARG   7          1HB       ARG   7   3.466   2.434   2.327
   40    HG2  ARG   7          2HG       ARG   7   3.497   0.219   3.175
   41    HG3  ARG   7          1HG       ARG   7   5.124   0.623   2.650
   42    HD2  ARG   7          2HD       ARG   7   4.135   0.668   5.510
   43    HD3  ARG   7          1HD       ARG   7   5.092  -0.619   4.785
   44    HE   ARG   7           HE       ARG   7   6.557   1.613   4.383
   45   HH11  ARG   7          1HH1      ARG   7   5.331  -0.056   7.226
   46   HH12  ARG   7          2HH1      ARG   7   6.478   0.617   8.300
   47   HH21  ARG   7          1HH2      ARG   7   8.161   2.529   5.879
   48   HH22  ARG   7          2HH2      ARG   7   8.103   2.076   7.518
   49    H    GLY   8           HN       GLY   8   6.555   1.497   2.118
   50    HA2  GLY   8          2HA       GLY   8   8.160   2.992   0.466
   51    HA3  GLY   8          1HA       GLY   8   7.783   1.292   0.269
   52    H    GLY   9           HN       GLY   9   5.382   1.028  -0.642
   53    HA2  GLY   9          2HA       GLY   9   4.561   3.072  -2.417
   54    HA3  GLY   9          1HA       GLY   9   5.487   1.835  -3.253
   55    H    CYS  10           HN       CYS  10   3.089   2.180  -4.110
   56    HA   CYS  10           HA       CYS  10   1.054   0.685  -2.768
   57    HB2  CYS  10          2HB       CYS  10   1.088   1.527  -5.657
   58    HB3  CYS  10          1HB       CYS  10  -0.304   1.265  -4.612
   59    H    SER  11           HN       SER  11   3.494   0.028  -5.069
   60    HA   SER  11           HA       SER  11   2.351  -2.362  -6.135
   61    HB2  SER  11          2HB       SER  11   4.045  -0.979  -7.360
   62    HB3  SER  11          1HB       SER  11   5.254  -1.491  -6.186
   63    HG   SER  11           HG       SER  11   3.861  -3.013  -8.090
   64    H    SER  12           HN       SER  12   4.232  -1.557  -3.354
   65    HA   SER  12           HA       SER  12   5.346  -4.063  -2.752
   66    HB2  SER  12          2HB       SER  12   6.017  -1.913  -1.661
   67    HB3  SER  12          1HB       SER  12   4.437  -1.918  -0.853
   68    HG   SER  12           HG       SER  12   6.581  -3.714  -0.531
   69    H    ARG  13           HN       ARG  13   4.636  -5.444  -1.078
   70    HA   ARG  13           HA       ARG  13   1.951  -6.316  -1.668
   71    HB2  ARG  13          2HB       ARG  13   3.926  -7.481   0.294
   72    HB3  ARG  13          1HB       ARG  13   2.430  -8.242  -0.224
   73    HG2  ARG  13          2HG       ARG  13   4.709  -7.524  -2.051
   74    HG3  ARG  13          1HG       ARG  13   4.424  -9.127  -1.372
   75    HD2  ARG  13          2HD       ARG  13   2.329  -9.297  -2.536
   76    HD3  ARG  13          1HD       ARG  13   2.457  -7.632  -3.106
   77    HE   ARG  13           HE       ARG  13   4.635  -8.583  -4.135
   78   HH11  ARG  13          1HH1      ARG  13   1.471 -10.221  -4.033
   79   HH12  ARG  13          2HH1      ARG  13   1.745 -11.056  -5.478
   80   HH21  ARG  13          1HH2      ARG  13   4.927  -9.699  -6.092
   81   HH22  ARG  13          2HH2      ARG  13   3.754 -10.782  -6.687
   82    H    TRP  14           HN       TRP  14   3.359  -4.519   0.852
   83    HA   TRP  14           HA       TRP  14   1.307  -4.938   2.808
   84    HB2  TRP  14          2HB       TRP  14   3.757  -3.791   2.958
   85    HB3  TRP  14          1HB       TRP  14   2.787  -2.347   2.693
   86    HD1  TRP  14          1HD       TRP  14   3.735  -4.841   5.297
   87    HE1  TRP  14          1HE       TRP  14   2.559  -4.307   7.527
   88    HE3  TRP  14          3HE       TRP  14   0.511  -1.251   3.662
   89    HZ2  TRP  14          2HZ       TRP  14   0.535  -2.595   8.450
   90    HZ3  TRP  14          3HZ       TRP  14  -1.012  -0.228   5.276
   91    HH2  TRP  14          2HH       TRP  14  -0.992  -0.891   7.623
   92    H    CYS  15           HN       CYS  15   1.871  -2.155   0.714
   93    HA   CYS  15           HA       CYS  15  -0.708  -1.166   1.243
   94    HB2  CYS  15          2HB       CYS  15   1.399  -0.487  -0.698
   95    HB3  CYS  15          1HB       CYS  15  -0.103   0.430  -0.465
   96    H    ARG  16           HN       ARG  16   0.509  -3.386  -0.979
   97    HA   ARG  16           HA       ARG  16  -1.573  -3.116  -2.918
   98    HB2  ARG  16          2HB       ARG  16   0.534  -4.415  -3.320
   99    HB3  ARG  16          1HB       ARG  16  -0.050  -5.630  -2.194
  100    HG2  ARG  16          2HG       ARG  16  -1.990  -6.019  -3.676
  101    HG3  ARG  16          1HG       ARG  16  -1.302  -4.873  -4.826
  102    HD2  ARG  16          2HD       ARG  16  -0.046  -7.453  -3.893
  103    HD3  ARG  16          1HD       ARG  16  -0.780  -7.159  -5.467
  104    HE   ARG  16           HE       ARG  16   1.449  -5.457  -4.703
  105   HH11  ARG  16          1HH1      ARG  16   0.333  -8.217  -6.627
  106   HH12  ARG  16          2HH1      ARG  16   1.710  -8.234  -7.632
  107   HH21  ARG  16          1HH2      ARG  16   3.335  -5.535  -6.031
  108   HH22  ARG  16          2HH2      ARG  16   3.466  -6.706  -7.268
  109    H    ASP  17           HN       ASP  17  -1.299  -4.656   0.179
  110    HA   ASP  17           HA       ASP  17  -3.878  -6.049  -0.166
  111    HB2  ASP  17          2HB       ASP  17  -1.766  -7.252   0.695
  112    HB3  ASP  17          1HB       ASP  17  -1.992  -6.317   2.152
  113    H    HIS  18           HN       HIS  18  -2.162  -3.934   2.109
  114    HA   HIS  18           HA       HIS  18  -4.587  -3.602   3.745
  115    HB2  HIS  18          2HB       HIS  18  -1.806  -2.645   4.426
  116    HB3  HIS  18          1HB       HIS  18  -3.130  -2.993   5.520
  117    HD1  HIS  18          1HD       HIS  18  -3.743  -5.910   5.016
  118    HD2  HIS  18          2HD       HIS  18   0.104  -4.416   4.853
  119    HE1  HIS  18          1HE       HIS  18  -2.220  -7.880   5.380
  120    H    ALA  19           HN       ALA  19  -4.262  -2.319   1.232
  121    HA   ALA  19           HA       ALA  19  -3.336   0.345   1.368
  122    HB1  ALA  19          1HB       ALA  19  -5.379  -0.845  -0.478
  123    HB2  ALA  19          2HB       ALA  19  -3.631  -0.865  -0.712
  124    HB3  ALA  19          3HB       ALA  19  -4.504   0.667  -0.718
  125    H    ARG  20           HN       ARG  20  -4.278   1.939   2.615
  126    HA   ARG  20           HA       ARG  20  -7.173   2.053   2.920
  127    HB2  ARG  20          2HB       ARG  20  -5.576   2.911   4.681
  128    HB3  ARG  20          1HB       ARG  20  -5.167   4.227   3.579
  129    HG2  ARG  20          2HG       ARG  20  -7.553   4.895   3.569
  130    HG3  ARG  20          1HG       ARG  20  -7.880   3.636   4.757
  131    HD2  ARG  20          2HD       ARG  20  -7.666   5.700   5.929
  132    HD3  ARG  20          1HD       ARG  20  -6.221   4.751   6.261
  133    HE   ARG  20           HE       ARG  20  -5.701   6.339   4.065
  134   HH11  ARG  20          1HH1      ARG  20  -6.311   6.727   7.528
  135   HH12  ARG  20          2HH1      ARG  20  -5.577   8.242   7.690
  136   HH21  ARG  20          1HH2      ARG  20  -4.654   8.519   4.255
  137   HH22  ARG  20          2HH2      ARG  20  -4.592   9.276   5.771
  138    H    CYS  21           HN       CYS  21  -4.626   3.541   1.074
  139    HA   CYS  21           HA       CYS  21  -6.659   4.852  -0.587
  140    HB2  CYS  21          2HB       CYS  21  -3.850   5.872  -0.101
  141    HB3  CYS  21          1HB       CYS  21  -5.138   6.692  -0.974
  142    H    CYS  22           HN       CYS  22  -3.113   4.245  -0.887
  143    HA   CYS  22           HA       CYS  22  -3.671   3.136  -3.518
  144    HB2  CYS  22          2HB       CYS  22  -2.531   5.351  -3.472
  145    HB3  CYS  22          1HB       CYS  22  -1.231   4.623  -2.542
  146    HN1  NH2  23          1H        CYS  22  -3.449   1.012  -3.393
  147    HN2  NH2  23          2H        CYS  22  -2.284   0.144  -2.455
  Start of MODEL   19
    1    H1   ARG   1          1HT       ARG   1  -1.212   3.152   8.287
    2    H2   ARG   1          2HT       ARG   1  -0.159   4.128   9.108
    3    H3   ARG   1          3HT       ARG   1  -0.360   2.533   9.609
    4    HA   ARG   1           HA       ARG   1   1.712   2.876   8.370
    5    HB2  ARG   1          2HB       ARG   1  -0.412   1.205   7.023
    6    HB3  ARG   1          1HB       ARG   1   1.238   1.223   6.457
    7    HG2  ARG   1          2HG       ARG   1   0.546   0.537   9.304
    8    HG3  ARG   1          1HG       ARG   1   0.577  -0.665   8.020
    9    HD2  ARG   1          2HD       ARG   1   2.695  -0.664   9.232
   10    HD3  ARG   1          1HD       ARG   1   2.914  -0.131   7.568
   11    HE   ARG   1           HE       ARG   1   2.626   1.945   9.573
   12   HH11  ARG   1          1HH1      ARG   1   4.932  -0.061   7.765
   13   HH12  ARG   1          2HH1      ARG   1   6.211   1.058   7.878
   14   HH21  ARG   1          1HH2      ARG   1   4.412   3.513   9.677
   15   HH22  ARG   1          2HH2      ARG   1   5.893   3.112   8.961
   16    H    GLY   2           HN       GLY   2   2.324   2.789   5.780
   17    HA2  GLY   2          2HA       GLY   2   1.315   5.363   4.900
   18    HA3  GLY   2          1HA       GLY   2   2.860   4.653   4.519
   19    H    CYS   3           HN       CYS   3  -0.479   3.770   4.197
   20    HA   CYS   3           HA       CYS   3   0.176   2.853   1.483
   21    HB2  CYS   3          2HB       CYS   3  -2.144   1.954   3.175
   22    HB3  CYS   3          1HB       CYS   3  -1.639   1.306   1.626
   23    H    CYS   4           HN       CYS   4  -0.746   5.338   2.771
   24    HA   CYS   4           HA       CYS   4  -2.252   6.156   0.392
   25    HB2  CYS   4          2HB       CYS   4  -2.296   7.578   3.101
   26    HB3  CYS   4          1HB       CYS   4  -3.180   8.059   1.670
   27    H    ASN   5           HN       ASN   5   0.048   6.942   2.887
   28    HA   ASN   5           HA       ASN   5   2.049   7.847   1.092
   29    HB2  ASN   5          2HB       ASN   5   0.799   9.860   1.282
   30    HB3  ASN   5          1HB       ASN   5   0.645   9.687   3.014
   31   HD21  ASN   5          1HD2      ASN   5   2.894  10.529   0.459
   32   HD22  ASN   5          2HD2      ASN   5   4.074  11.245   1.481
   33    H    GLY   6           HN       GLY   6   3.720   6.750   1.980
   34    HA2  GLY   6          2HA       GLY   6   5.052   7.413   4.188
   35    HA3  GLY   6          1HA       GLY   6   3.809   6.407   4.887
   36    H    ARG   7           HN       ARG   7   3.803   4.349   2.724
   37    HA   ARG   7           HA       ARG   7   6.274   3.208   3.549
   38    HB2  ARG   7          2HB       ARG   7   3.822   1.984   2.330
   39    HB3  ARG   7          1HB       ARG   7   5.344   1.108   2.344
   40    HG2  ARG   7          2HG       ARG   7   5.214   1.700   4.933
   41    HG3  ARG   7          1HG       ARG   7   3.492   1.824   4.546
   42    HD2  ARG   7          2HD       ARG   7   4.015  -0.468   5.310
   43    HD3  ARG   7          1HD       ARG   7   3.552  -0.479   3.619
   44    HE   ARG   7           HE       ARG   7   6.273  -0.203   3.604
   45   HH11  ARG   7          1HH1      ARG   7   4.184  -2.630   5.113
   46   HH12  ARG   7          2HH1      ARG   7   5.193  -3.932   4.703
   47   HH21  ARG   7          1HH2      ARG   7   7.710  -2.001   3.177
   48   HH22  ARG   7          2HH2      ARG   7   7.240  -3.566   3.623
   49    H    GLY   8           HN       GLY   8   7.353   1.790   1.762
   50    HA2  GLY   8          2HA       GLY   8   8.120   3.669  -0.261
   51    HA3  GLY   8          1HA       GLY   8   8.831   2.089   0.025
   52    H    GLY   9           HN       GLY   9   5.937   3.642  -1.266
   53    HA2  GLY   9          2HA       GLY   9   5.299   3.298  -3.530
   54    HA3  GLY   9          1HA       GLY   9   6.051   1.712  -3.463
   55    H    CYS  10           HN       CYS  10   3.420   2.434  -4.309
   56    HA   CYS  10           HA       CYS  10   1.601   1.432  -2.292
   57    HB2  CYS  10          2HB       CYS  10   1.136   2.126  -5.195
   58    HB3  CYS  10          1HB       CYS  10  -0.107   1.854  -3.976
   59    H    SER  11           HN       SER  11   3.617   0.239  -4.705
   60    HA   SER  11           HA       SER  11   2.144  -2.167  -5.275
   61    HB2  SER  11          2HB       SER  11   3.647  -1.025  -6.952
   62    HB3  SER  11          1HB       SER  11   5.020  -1.447  -5.936
   63    HG   SER  11           HG       SER  11   4.812  -2.907  -7.575
   64    H    SER  12           HN       SER  12   3.849  -1.065  -2.652
   65    HA   SER  12           HA       SER  12   5.305  -3.371  -1.876
   66    HB2  SER  12          2HB       SER  12   5.360  -0.917  -0.866
   67    HB3  SER  12          1HB       SER  12   3.951  -1.531   0.027
   68    HG   SER  12           HG       SER  12   6.616  -2.327   0.168
   69    H    ARG  13           HN       ARG  13   4.569  -4.907  -0.399
   70    HA   ARG  13           HA       ARG  13   2.092  -5.984  -1.289
   71    HB2  ARG  13          2HB       ARG  13   3.857  -6.978   0.936
   72    HB3  ARG  13          1HB       ARG  13   2.500  -7.863   0.257
   73    HG2  ARG  13          2HG       ARG  13   4.981  -7.028  -1.240
   74    HG3  ARG  13          1HG       ARG  13   4.622  -8.653  -0.656
   75    HD2  ARG  13          2HD       ARG  13   2.662  -8.735  -2.119
   76    HD3  ARG  13          1HD       ARG  13   3.007  -7.103  -2.687
   77    HE   ARG  13           HE       ARG  13   5.196  -8.881  -3.016
   78   HH11  ARG  13          1HH1      ARG  13   2.118  -7.943  -4.491
   79   HH12  ARG  13          2HH1      ARG  13   2.622  -8.273  -6.084
   80   HH21  ARG  13          1HH2      ARG  13   5.855  -9.391  -5.206
   81   HH22  ARG  13          2HH2      ARG  13   4.767  -9.148  -6.492
   82    H    TRP  14           HN       TRP  14   2.979  -4.562   1.775
   83    HA   TRP  14           HA       TRP  14   0.587  -5.058   3.212
   84    HB2  TRP  14          2HB       TRP  14   2.938  -3.938   3.860
   85    HB3  TRP  14          1HB       TRP  14   2.043  -2.468   3.525
   86    HD1  TRP  14          1HD       TRP  14   2.765  -4.899   6.147
   87    HE1  TRP  14          1HE       TRP  14   1.326  -4.513   8.247
   88    HE3  TRP  14          3HE       TRP  14  -0.605  -1.597   4.221
   89    HZ2  TRP  14          2HZ       TRP  14  -0.929  -2.992   8.990
   90    HZ3  TRP  14          3HZ       TRP  14  -2.363  -0.716   5.686
   91    HH2  TRP  14          2HH       TRP  14  -2.520  -1.398   8.024
   92    H    CYS  15           HN       CYS  15   1.556  -2.353   1.206
   93    HA   CYS  15           HA       CYS  15  -0.897  -0.998   1.572
   94    HB2  CYS  15          2HB       CYS  15   1.473  -0.564  -0.122
   95    HB3  CYS  15          1HB       CYS  15   0.113   0.560   0.053
   96    H    ARG  16           HN       ARG  16   0.265  -3.283  -0.629
   97    HA   ARG  16           HA       ARG  16  -1.643  -2.572  -2.682
   98    HB2  ARG  16          2HB       ARG  16   0.578  -3.842  -3.047
   99    HB3  ARG  16          1HB       ARG  16  -0.233  -5.240  -2.380
  100    HG2  ARG  16          2HG       ARG  16  -1.124  -3.775  -4.877
  101    HG3  ARG  16          1HG       ARG  16  -0.108  -5.207  -4.872
  102    HD2  ARG  16          2HD       ARG  16  -2.953  -5.012  -3.868
  103    HD3  ARG  16          1HD       ARG  16  -2.429  -5.787  -5.362
  104    HE   ARG  16           HE       ARG  16  -1.011  -7.129  -3.599
  105   HH11  ARG  16          1HH1      ARG  16  -4.437  -6.288  -3.527
  106   HH12  ARG  16          2HH1      ARG  16  -4.912  -7.621  -2.577
  107   HH21  ARG  16          1HH2      ARG  16  -1.637  -8.985  -2.309
  108   HH22  ARG  16          2HH2      ARG  16  -3.269  -9.204  -1.864
  109    H    ASP  17           HN       ASP  17  -1.385  -4.917  -0.055
  110    HA   ASP  17           HA       ASP  17  -3.921  -6.130  -0.717
  111    HB2  ASP  17          2HB       ASP  17  -1.920  -7.310   0.417
  112    HB3  ASP  17          1HB       ASP  17  -2.453  -6.499   1.878
  113    H    HIS  18           HN       HIS  18  -2.660  -4.171   1.948
  114    HA   HIS  18           HA       HIS  18  -5.381  -3.820   2.982
  115    HB2  HIS  18          2HB       HIS  18  -2.821  -2.947   4.327
  116    HB3  HIS  18          1HB       HIS  18  -4.381  -3.248   5.064
  117    HD1  HIS  18          1HD       HIS  18  -4.783  -6.223   4.010
  118    HD2  HIS  18          2HD       HIS  18  -1.273  -4.677   5.578
  119    HE1  HIS  18          1HE       HIS  18  -3.490  -8.190   4.872
  120    H    ALA  19           HN       ALA  19  -4.512  -2.538   0.647
  121    HA   ALA  19           HA       ALA  19  -3.495   0.029   0.816
  122    HB1  ALA  19          1HB       ALA  19  -4.654   0.498  -1.244
  123    HB2  ALA  19          2HB       ALA  19  -5.668  -0.939  -1.036
  124    HB3  ALA  19          3HB       ALA  19  -3.922  -1.106  -1.289
  125    H    ARG  20           HN       ARG  20  -4.199   1.664   1.980
  126    HA   ARG  20           HA       ARG  20  -6.977   1.809   2.728
  127    HB2  ARG  20          2HB       ARG  20  -4.714   3.676   3.449
  128    HB3  ARG  20          1HB       ARG  20  -6.325   3.682   4.153
  129    HG2  ARG  20          2HG       ARG  20  -4.254   1.516   4.405
  130    HG3  ARG  20          1HG       ARG  20  -4.813   2.611   5.668
  131    HD2  ARG  20          2HD       ARG  20  -7.053   1.621   5.515
  132    HD3  ARG  20          1HD       ARG  20  -6.468   0.520   4.263
  133    HE   ARG  20           HE       ARG  20  -5.126   0.556   6.814
  134   HH11  ARG  20          1HH1      ARG  20  -7.318  -1.146   4.625
  135   HH12  ARG  20          2HH1      ARG  20  -7.226  -2.634   5.432
  136   HH21  ARG  20          1HH2      ARG  20  -4.996  -1.548   7.953
  137   HH22  ARG  20          2HH2      ARG  20  -5.878  -2.858   7.339
  138    H    CYS  21           HN       CYS  21  -4.625   3.463   0.740
  139    HA   CYS  21           HA       CYS  21  -6.825   4.800  -0.675
  140    HB2  CYS  21          2HB       CYS  21  -4.179   6.155  -0.110
  141    HB3  CYS  21          1HB       CYS  21  -5.610   6.863  -0.832
  142    H    CYS  22           HN       CYS  22  -3.322   4.054  -0.626
  143    HA   CYS  22           HA       CYS  22  -3.437   3.434  -3.474
  144    HB2  CYS  22          2HB       CYS  22  -2.455   5.721  -2.967
  145    HB3  CYS  22          1HB       CYS  22  -1.209   4.903  -2.043
  146    HN1  NH2  23          1H        CYS  22  -3.229   1.266  -3.306
  147    HN2  NH2  23          2H        CYS  22  -2.069   0.424  -2.347
  Start of MODEL   20
    1    H1   ARG   1          1HT       ARG   1   0.227   1.910   9.406
    2    H2   ARG   1          2HT       ARG   1   0.437   3.601   9.235
    3    H3   ARG   1          3HT       ARG   1   1.626   2.553   8.734
    4    HA   ARG   1           HA       ARG   1   0.417   1.721   6.996
    5    HB2  ARG   1          2HB       ARG   1  -1.833   2.729   6.443
    6    HB3  ARG   1          1HB       ARG   1  -1.799   1.579   7.757
    7    HG2  ARG   1          2HG       ARG   1  -1.883   3.425   9.371
    8    HG3  ARG   1          1HG       ARG   1  -1.894   4.580   8.036
    9    HD2  ARG   1          2HD       ARG   1  -4.148   4.066   8.982
   10    HD3  ARG   1          1HD       ARG   1  -3.990   3.771   7.251
   11    HE   ARG   1           HE       ARG   1  -3.430   1.450   8.798
   12   HH11  ARG   1          1HH1      ARG   1  -6.177   3.405   7.715
   13   HH12  ARG   1          2HH1      ARG   1  -7.181   2.052   7.438
   14   HH21  ARG   1          1HH2      ARG   1  -4.853  -0.395   8.360
   15   HH22  ARG   1          2HH2      ARG   1  -6.418  -0.093   7.770
   16    H    GLY   2           HN       GLY   2   1.506   2.571   5.345
   17    HA2  GLY   2          2HA       GLY   2   1.292   5.465   5.020
   18    HA3  GLY   2          1HA       GLY   2   2.723   4.522   4.644
   19    H    CYS   3           HN       CYS   3  -0.525   3.635   4.001
   20    HA   CYS   3           HA       CYS   3   0.164   3.290   1.192
   21    HB2  CYS   3          2HB       CYS   3  -2.377   2.513   2.636
   22    HB3  CYS   3          1HB       CYS   3  -1.912   2.060   1.001
   23    H    CYS   4           HN       CYS   4  -0.902   5.684   2.978
   24    HA   CYS   4           HA       CYS   4  -2.139   6.932   0.636
   25    HB2  CYS   4          2HB       CYS   4  -2.433   7.775   3.540
   26    HB3  CYS   4          1HB       CYS   4  -3.263   8.480   2.158
   27    H    ASN   5           HN       ASN   5   0.309   6.928   3.051
   28    HA   ASN   5           HA       ASN   5   2.224   8.369   1.615
   29    HB2  ASN   5          2HB       ASN   5   0.665  10.213   2.316
   30    HB3  ASN   5          1HB       ASN   5   1.023   9.812   3.978
   31   HD21  ASN   5          1HD2      ASN   5   1.486  12.298   2.575
   32   HD22  ASN   5          2HD2      ASN   5   3.170  12.627   2.720
   33    H    GLY   6           HN       GLY   6   3.911   7.048   2.313
   34    HA2  GLY   6          2HA       GLY   6   5.312   7.254   4.501
   35    HA3  GLY   6          1HA       GLY   6   3.965   6.354   5.169
   36    H    ARG   7           HN       ARG   7   3.574   4.569   2.983
   37    HA   ARG   7           HA       ARG   7   5.734   2.785   3.647
   38    HB2  ARG   7          2HB       ARG   7   3.481   1.969   3.869
   39    HB3  ARG   7          1HB       ARG   7   3.119   2.336   2.192
   40    HG2  ARG   7          2HG       ARG   7   3.380  -0.048   2.504
   41    HG3  ARG   7          1HG       ARG   7   4.692   0.562   1.506
   42    HD2  ARG   7          2HD       ARG   7   5.414  -1.109   3.186
   43    HD3  ARG   7          1HD       ARG   7   6.223   0.448   3.380
   44    HE   ARG   7           HE       ARG   7   4.195   0.626   5.122
   45   HH11  ARG   7          1HH1      ARG   7   6.328  -2.117   4.513
   46   HH12  ARG   7          2HH1      ARG   7   6.547  -2.502   6.149
   47   HH21  ARG   7          1HH2      ARG   7   4.448   0.052   7.401
   48   HH22  ARG   7          2HH2      ARG   7   5.394  -1.292   7.820
   49    H    GLY   8           HN       GLY   8   7.083   1.897   2.074
   50    HA2  GLY   8          2HA       GLY   8   7.674   3.637  -0.106
   51    HA3  GLY   8          1HA       GLY   8   8.530   2.165   0.314
   52    H    GLY   9           HN       GLY   9   5.749   3.457  -1.343
   53    HA2  GLY   9          2HA       GLY   9   5.458   2.847  -3.635
   54    HA3  GLY   9          1HA       GLY   9   5.990   1.219  -3.226
   55    H    CYS  10           HN       CYS  10   3.532   2.402  -4.449
   56    HA   CYS  10           HA       CYS  10   1.394   1.887  -2.634
   57    HB2  CYS  10          2HB       CYS  10   1.443   2.140  -5.635
   58    HB3  CYS  10          1HB       CYS  10  -0.025   1.904  -4.703
   59    H    SER  11           HN       SER  11   3.190   0.013  -4.864
   60    HA   SER  11           HA       SER  11   1.220  -2.127  -4.731
   61    HB2  SER  11          2HB       SER  11   2.208  -1.189  -6.935
   62    HB3  SER  11          1HB       SER  11   3.649  -2.106  -6.508
   63    HG   SER  11           HG       SER  11   2.650  -3.920  -6.919
   64    H    SER  12           HN       SER  12   3.406  -1.297  -2.623
   65    HA   SER  12           HA       SER  12   5.143  -3.481  -2.419
   66    HB2  SER  12          2HB       SER  12   5.319  -2.581  -0.095
   67    HB3  SER  12          1HB       SER  12   5.605  -1.352  -1.332
   68    HG   SER  12           HG       SER  12   3.894  -0.316  -0.676
   69    H    ARG  13           HN       ARG  13   4.814  -5.259  -0.890
   70    HA   ARG  13           HA       ARG  13   2.338  -6.522  -1.150
   71    HB2  ARG  13          2HB       ARG  13   4.446  -7.059   0.929
   72    HB3  ARG  13          1HB       ARG  13   3.139  -8.151   0.499
   73    HG2  ARG  13          2HG       ARG  13   4.039  -8.285  -1.791
   74    HG3  ARG  13          1HG       ARG  13   5.382  -7.255  -1.296
   75    HD2  ARG  13          2HD       ARG  13   6.040  -9.575  -1.249
   76    HD3  ARG  13          1HD       ARG  13   6.019  -8.924   0.389
   77    HE   ARG  13           HE       ARG  13   3.804 -10.491  -0.732
   78   HH11  ARG  13          1HH1      ARG  13   6.043  -9.849   1.950
   79   HH12  ARG  13          2HH1      ARG  13   5.453 -11.123   2.915
   80   HH21  ARG  13          1HH2      ARG  13   2.973 -12.144   0.622
   81   HH22  ARG  13          2HH2      ARG  13   3.621 -12.412   2.191
   82    H    TRP  14           HN       TRP  14   3.390  -4.383   1.343
   83    HA   TRP  14           HA       TRP  14   1.284  -4.892   3.243
   84    HB2  TRP  14          2HB       TRP  14   3.617  -3.576   3.409
   85    HB3  TRP  14          1HB       TRP  14   2.601  -2.222   2.943
   86    HD1  TRP  14          1HD       TRP  14   3.681  -4.236   5.829
   87    HE1  TRP  14          1HE       TRP  14   2.446  -3.505   7.983
   88    HE3  TRP  14          3HE       TRP  14   0.102  -1.253   3.759
   89    HZ2  TRP  14          2HZ       TRP  14   0.262  -1.896   8.690
   90    HZ3  TRP  14          3HZ       TRP  14  -1.516  -0.161   5.242
   91    HH2  TRP  14          2HH       TRP  14  -1.431  -0.482   7.662
   92    H    CYS  15           HN       CYS  15   1.778  -2.197   1.025
   93    HA   CYS  15           HA       CYS  15  -0.823  -1.242   1.405
   94    HB2  CYS  15          2HB       CYS  15   1.410  -0.635  -0.413
   95    HB3  CYS  15          1HB       CYS  15  -0.138   0.190  -0.549
   96    H    ARG  16           HN       ARG  16   0.516  -3.487  -0.749
   97    HA   ARG  16           HA       ARG  16  -1.437  -3.400  -2.783
   98    HB2  ARG  16          2HB       ARG  16   0.749  -4.645  -2.802
   99    HB3  ARG  16          1HB       ARG  16   0.015  -5.820  -1.729
  100    HG2  ARG  16          2HG       ARG  16  -1.656  -6.308  -3.478
  101    HG3  ARG  16          1HG       ARG  16  -0.799  -5.197  -4.554
  102    HD2  ARG  16          2HD       ARG  16   0.292  -7.703  -3.292
  103    HD3  ARG  16          1HD       ARG  16  -0.064  -7.447  -4.999
  104    HE   ARG  16           HE       ARG  16   1.722  -5.505  -4.465
  105   HH11  ARG  16          1HH1      ARG  16   1.784  -8.999  -3.901
  106   HH12  ARG  16          2HH1      ARG  16   3.463  -9.136  -4.016
  107   HH21  ARG  16          1HH2      ARG  16   4.004  -5.669  -4.582
  108   HH22  ARG  16          2HH2      ARG  16   4.795  -7.174  -4.403
  109    H    ASP  17           HN       ASP  17  -1.211  -5.059   0.295
  110    HA   ASP  17           HA       ASP  17  -3.771  -6.397  -0.087
  111    HB2  ASP  17          2HB       ASP  17  -1.678  -7.387   1.140
  112    HB3  ASP  17          1HB       ASP  17  -2.193  -6.364   2.454
  113    H    HIS  18           HN       HIS  18  -2.337  -3.873   1.887
  114    HA   HIS  18           HA       HIS  18  -4.861  -3.447   3.327
  115    HB2  HIS  18          2HB       HIS  18  -2.126  -2.376   4.026
  116    HB3  HIS  18          1HB       HIS  18  -3.538  -2.447   5.057
  117    HD1  HIS  18          1HD       HIS  18  -4.116  -5.558   4.547
  118    HD2  HIS  18          2HD       HIS  18  -0.462  -3.885   5.495
  119    HE1  HIS  18          1HE       HIS  18  -2.784  -7.402   5.615
  120    H    ALA  19           HN       ALA  19  -4.413  -2.430   0.658
  121    HA   ALA  19           HA       ALA  19  -3.553   0.244   0.547
  122    HB1  ALA  19          1HB       ALA  19  -5.632  -1.008  -1.228
  123    HB2  ALA  19          2HB       ALA  19  -3.884  -1.153  -1.443
  124    HB3  ALA  19          3HB       ALA  19  -4.660   0.427  -1.567
  125    H    ARG  20           HN       ARG  20  -4.391   1.507   2.168
  126    HA   ARG  20           HA       ARG  20  -7.218   1.878   2.411
  127    HB2  ARG  20          2HB       ARG  20  -5.687   2.319   4.327
  128    HB3  ARG  20          1HB       ARG  20  -4.987   3.663   3.441
  129    HG2  ARG  20          2HG       ARG  20  -6.569   4.462   5.112
  130    HG3  ARG  20          1HG       ARG  20  -7.147   4.824   3.485
  131    HD2  ARG  20          2HD       ARG  20  -8.613   2.834   3.589
  132    HD3  ARG  20          1HD       ARG  20  -8.058   2.532   5.233
  133    HE   ARG  20           HE       ARG  20  -9.020   5.120   5.150
  134   HH11  ARG  20          1HH1      ARG  20 -10.309   1.851   4.743
  135   HH12  ARG  20          2HH1      ARG  20 -11.878   2.223   5.234
  136   HH21  ARG  20          1HH2      ARG  20 -11.217   5.652   5.869
  137   HH22  ARG  20          2HH2      ARG  20 -12.426   4.457   5.907
  138    H    CYS  21           HN       CYS  21  -4.619   3.454   0.673
  139    HA   CYS  21           HA       CYS  21  -6.649   4.990  -0.795
  140    HB2  CYS  21          2HB       CYS  21  -3.904   6.022  -0.026
  141    HB3  CYS  21          1HB       CYS  21  -5.110   6.903  -0.951
  142    H    CYS  22           HN       CYS  22  -3.114   4.432  -0.979
  143    HA   CYS  22           HA       CYS  22  -3.491   3.277  -3.625
  144    HB2  CYS  22          2HB       CYS  22  -2.695   5.665  -3.762
  145    HB3  CYS  22          1HB       CYS  22  -1.302   5.230  -2.796
  146    HN1  NH2  23          1H        CYS  22  -0.533   3.903  -1.741
  147    HN2  NH2  23          2H        CYS  22  -0.212   2.247  -1.393