*HEADER    TOXIN                                   29-NOV-17   6BR0              
*TITLE     SOLUTION NMR STRUCTURE FOR CCOTX-I                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BETA-THERAPHOTOXIN-CM1A;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: BETA-TRTX-CM1A, CERATOTOXIN-1, CCOTX1;                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CERATOGYRUS MARSHALLI;                          
*SOURCE   4 ORGANISM_COMMON: STRAIGHTHORNED BABOON TARANTULA;                    
*SOURCE   5 ORGANISM_TAXID: 316287                                               
*KEYWDS    SPIDER, TOXIN, DISULFIDE, ICK, PAIN, NAV1.7, VOLTAGE GATED ION        
*KEYWDS   2 CHANNEL                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.J.AGWA,C.I.SCHROEDER                                                
*REVDAT   1   16-MAY-18 6BR0    0                                                
# Restraints file 1: hbonds.tbl
#hbonds
assign (resid 21    and name HN   ) (resid 30    and name O    )    2.00    2.00    0.00
assign (resid 21    and name N    ) (resid 30    and name O    )    3.00    3.00    0.00
assign (resid 21    and name O    ) (resid 30    and name HN   )    2.00    2.00    0.00
assign (resid 21    and name O    ) (resid 30    and name N    )    3.00    3.00    0.00
assign (resid 23    and name HN   ) (resid 28    and name O    )    2.00    2.00    0.00
assign (resid 23    and name N    ) (resid 28    and name O    )    3.00    3.00    0.00
assign (resid 6     and name HN   ) (resid 29    and name O    )    2.00    2.00    0.00   
assign (resid 6     and name N    ) (resid 29    and name O    )    3.00    3.00    0.00    
assign (resid 18    and name O    ) (resid 20    and name HN   )    2.00    2.00    0.00
assign (resid 18    and name O    ) (resid 20    and name N    )    3.00    3.00    0.00
assign (resid 7     and name O    ) (resid 29    and name HN   )    2.00    2.00    0.00
assign (resid 7     and name O    ) (resid 29    and name N    )    3.00    3.00    0.00
# Restraints file 2: dihedrals.tbl
#Dihedrals
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  143.4   23.9 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -80.5   20.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0  -60.2   20.0 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0  -93.0   20.0 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0 -144.2   24.2 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  161.2   20.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  127.2   40.5 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  -19.8   20.0 2
assign (resid 17    and name C    ) (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    )    1.0  -69.1   20.0 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0  -90.0   65.6 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    ) (resid 21    and name N    )    1.0  141.2   39.8 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0 -121.8   39.9 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0  135.8   28.1 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -89.7   28.4 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    ) (resid 24    and name N    )    1.0  121.8   30.4 2
!assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  -35.6   20.0 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0  -80.3   40.5 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  -22.1   52.5 2
assign (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name C    ) (resid 31    and name N    )    1.0  156.6   20.0 2
assign (resid 30    and name C    ) (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    )    1.0  -74.6   35.0 2
assign (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    ) (resid 32    and name N    )    1.0  136.4   23.1 2
assign (resid 1     and name N    ) (resid 1     and name CA   ) (resid 1     and name CB   ) (resid 1     and name CG   )    1.0  -60.0   30.0 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name CB   ) (resid 2     and name SG   )    1.0   60.0   30.0 2       
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name CB   ) (resid 7     and name CG   )    1.0  -60.0   30.0 2 
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name CB   ) (resid 5     and name CG   )    1.0   60.0   30.0 2 


# Restraints file 3: unambig.tbl
#H proton - H proton
assign (resid 21    and name HN   ) (resid 21    and name HB   )    3.14    3.14    0.00
assign (resid 20    and name HN   ) (resid 20    and name HB2  )    3.45    3.45    0.00
assign (resid 20    and name HN   ) (resid 20    and name HB1  )    3.45    3.45    0.00
assign (resid 20    and name HA   ) (resid 21    and name HN   )    2.71    2.71    0.00
assign (resid 19    and name HA   ) (resid 20    and name HN   )    3.30    3.30    0.00
assign (resid 19    and name HN   ) (resid 19    and name HB2  )    4.14    4.14    0.00
assign (resid 19    and name HN   ) (resid 19    and name HB1  )    4.14    4.14    0.00
assign (resid 19    and name HN   ) (resid 19    and name HA   )    2.40    2.40    0.00
assign (resid 17    and name HA   ) (resid 18    and name HN   )    2.65    2.65    0.00
assign (resid 23    and name HN   ) (resid 23    and name HB2  )    2.99    2.99    0.00
assign (resid 23    and name HN   ) (resid 23    and name HB1  )    2.99    2.99    0.00
assign (resid 10    and name HN   ) (resid 10    and name HB2  )    3.17    3.17    0.00
assign (resid 10    and name HN   ) (resid 10    and name HB1  )    3.17    3.17    0.00
assign (resid 21    and name HA   ) (resid 22    and name HN   )    2.65    2.65    0.00
assign (resid 22    and name HN   ) (resid 22    and name HB1  )    3.40    3.40    0.00       !3.08    3.08    0.00
assign (resid 22    and name HN   ) (resid 22    and name HB2  )    3.08    3.08    0.00
assign (resid 22    and name HA   ) (resid 23    and name HN   )    2.62    2.62    0.00
assign (resid 23    and name HA   ) (resid 24    and name HN   )    2.49    2.49    0.00
assign (resid 24    and name HN   ) (resid 24    and name HB2  )    3.36    3.36    0.00
assign (resid 24    and name HN   ) (resid 24    and name HB1  )    3.36    3.36    0.00
assign (resid 24    and name HA   ) (resid 25    and name HN   )    3.33    3.33    0.00
assign (resid 2     and name HN   ) (resid 2     and name HB1  )    3.83    3.83    0.00
assign (resid 2     and name HN   ) (resid 2     and name HB2  )    3.83    3.83    0.00
assign (resid 1     and name HA   ) (resid 2     and name HN   )    2.74    2.74    0.00
assign (resid 32    and name HA   ) (resid 33    and name HN   )    3.36    3.36    0.00
assign (resid 32    and name HN   ) (resid 32    and name HB2  )    3.21    3.21    0.00
assign (resid 32    and name HN   ) (resid 32    and name HB1  )    3.21    3.21    0.00
assign (resid 31    and name HA   ) (resid 32    and name HN   )    2.62    2.62    0.00
assign (resid 31    and name HN   ) (resid 31    and name HB2  )    3.02    3.02    0.00
assign (resid 31    and name HN   ) (resid 31    and name HB1  )    3.02    3.02    0.00
assign (resid 30    and name HA   ) (resid 31    and name HN   )    2.77    2.77    0.00
assign (resid 30    and name HN   ) (resid 30    and name HB2  )    3.36    3.36    0.00
assign (resid 30    and name HN   ) (resid 30    and name HB1  )    3.70    3.70    0.00      !3.36    3.36    0.00          
assign (resid 29    and name HA   ) (resid 30    and name HN   )    2.68    2.68    0.00
assign (resid 29    and name HN   ) (resid 29    and name HA   )    2.77    2.77    0.00
assign (resid 28    and name HA   ) (resid 29    and name HN   )    2.62    2.62    0.00
assign (resid 29    and name HN   ) (resid 29    and name HB2  )    3.30    3.30    0.00
assign (resid 27    and name HA   ) (resid 28    and name HN   )    3.33    3.33    0.00
assign (resid 27    and name HN   ) (resid 27    and name HA   )    2.62    2.62    0.00
assign (resid 27    and name HN   ) (resid 27    and name HB1  )    3.90    3.90    0.00      !3.61    3.61    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB2  )    3.14    3.14    0.00
assign (resid 25    and name HN   ) (resid 25    and name HB2  )    2.96    2.96    0.00
assign (resid 25    and name HN   ) (resid 25    and name HB1  )    2.96    2.96    0.00
assign (resid 3     and name HB1  ) (resid 4     and name HN   )    3.86    3.86    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB2  )    3.21    3.21    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB1  )    3.21    3.21    0.00
assign (resid 13    and name HA   ) (resid 14    and name HN   )    2.68    2.68    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB2  )    2.80    2.80    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB1  )    2.80    2.80    0.00
assign (resid 14    and name HA   ) (resid 15    and name HN   )    2.65    2.65    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB2  )    3.61    3.61    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB1  )    3.61    3.61    0.00
assign (resid 15    and name HA   ) (resid 16    and name HN   )    3.42    3.42    0.00
assign (resid 16    and name HA   ) (resid 17    and name HN   )    2.56    2.56    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB1  )    3.39    3.39    0.00
assign (resid 18    and name HA   ) (resid 19    and name HN   )    2.40    2.40    0.00
assign (resid 12    and name HA   ) (resid 13    and name HN   )    3.45    3.45    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB1  )    3.27    3.27    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB2  )    2.99    2.99    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB1  )    3.35    3.35    0.00             !2.99    2.99    0.00
assign (resid 7     and name HA   ) (resid 8     and name HN   )    2.46    2.46    0.00
assign (resid 6     and name HN   ) (resid 6     and name HA   )    2.68    2.68    0.00
assign (resid 6     and name HA   ) (resid 7     and name HN   )    3.39    3.39    0.00
assign (resid 6     and name HN   ) (resid 6     and name HB2  )    4.07    4.07    0.00
assign (resid 6     and name HN   ) (resid 6     and name HB1  )    4.07    4.07    0.00
assign (resid 5     and name HA   ) (resid 6     and name HN   )    2.59    2.59    0.00
assign (resid 3     and name HA   ) (resid 4     and name HN   )    2.52    2.52    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB2  )    3.42    3.42    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB1  )    3.42    3.42    0.00
assign (resid 9     and name HN   ) (resid 9     and name HA   )    2.77    2.77    0.00
assign (resid 9     and name HN   ) (resid 9     and name HB2  )    3.70    3.70    0.00
assign (resid 9     and name HN   ) (resid 9     and name HB1  )    3.70    3.70    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB2  )    3.67    3.67    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB1  )    3.67    3.67    0.00
assign (resid 8     and name HA   ) (resid 9     and name HN   )    2.56    2.56    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB2  )    3.27    3.27    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB2  )    3.39    3.39    0.00
assign (resid 18    and name HN   ) (resid 18    and name HB2  )    2.90    2.90    0.00
assign (resid 18    and name HN   ) (resid 18    and name HB1  )    2.90    2.90    0.00
assign (resid 27    and name HN   ) (resid 27    and name HB2  )    3.61    3.61    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB1  )    2.87    2.87    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB2  )    3.20    3.20    0.00            !2.87    2.87    0.00
assign (resid 17    and name HB2  ) (resid 18    and name HN   )    3.48    3.48    0.00
assign (resid 28    and name HA   ) (resid 28    and name HB2  )    2.90    2.90    0.00
assign (resid 28    and name HA   ) (resid 28    and name HB1  )    2.90    2.90    0.00
assign (resid 6     and name HB2  ) (resid 7     and name HN   )    4.32    4.32    0.00
assign (resid 6     and name HB1  ) (resid 7     and name HN   )    4.32    4.32    0.00
assign (resid 25    and name HN   ) (resid 26    and name HN   )    3.02    3.02    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB1  )    3.50    3.50    0.00            !3.14    3.14    0.00
assign (resid 21    and name HB   ) (resid 22    and name HN   )    3.61    3.61    0.00
assign (resid 20    and name HB2  ) (resid 21    and name HN   )    3.64    3.64    0.00
assign (resid 14    and name HB2  ) (resid 15    and name HN   )    4.01    4.01    0.00
assign (resid 22    and name HB2  ) (resid 23    and name HN   )    3.95    3.95    0.00
assign (resid 1     and name HB1  ) (resid 2     and name HN   )    3.76    3.76    0.00
assign (resid 1     and name HB2  ) (resid 2     and name HN   )    3.76    3.76    0.00
assign (resid 9     and name HB2  ) (resid 10    and name HN   )    3.30    3.30    0.00
assign (resid 14    and name HB1  ) (resid 15    and name HN   )    4.01    4.01    0.00
assign (resid 22    and name HB1  ) (resid 23    and name HN   )    3.95    3.95    0.00
assign (resid 18    and name HB1  ) (resid 19    and name HN   )    3.89    3.89    0.00
assign (resid 18    and name HB2  ) (resid 19    and name HN   )    3.89    3.89    0.00
assign (resid 7     and name HB2  ) (resid 8     and name HN   )    3.58    3.58    0.00
assign (resid 26    and name HB1  ) (resid 28    and name HN   )    4.01    4.01    0.00
assign (resid 26    and name HB2  ) (resid 28    and name HN   )    4.01    4.01    0.00
assign (resid 25    and name HB1  ) (resid 26    and name HN   )    3.58    3.58    0.00
assign (resid 12    and name HB1  ) (resid 13    and name HN   )    3.89    3.89    0.00
assign (resid 25    and name HB2  ) (resid 26    and name HN   )    3.58    3.58    0.00
assign (resid 30    and name HB1  ) (resid 31    and name HN   )    3.70    3.70    0.00
assign (resid 30    and name HB2  ) (resid 31    and name HN   )    3.70    3.70    0.00
assign (resid 23    and name HB2  ) (resid 26    and name HN   )    4.07    4.07    0.00
assign (resid 9     and name HN   ) (resid 28    and name HA   )    3.05    3.05    0.00
assign (resid 32    and name HN   ) (resid 33    and name HN   )    3.39    3.39    0.00
assign (resid 27    and name HN   ) (resid 28    and name HN   )    3.24    3.24    0.00
assign (resid 26    and name HN   ) (resid 27    and name HN   )    2.90    2.90    0.00
assign (resid 12    and name HN   ) (resid 13    and name HN   )    2.77    2.77    0.00
assign (resid 13    and name HN   ) (resid 14    and name HN   )    3.36    3.36    0.00
assign (resid 24    and name HN   ) (resid 25    and name HN   )    3.14    3.14    0.00
assign (resid 15    and name HN   ) (resid 16    and name HN   )    3.08    3.08    0.00
assign (resid 6     and name HN   ) (resid 7     and name HN   )    3.27    3.27    0.00
assign (resid 3     and name HN   ) (resid 17    and name HN   )    3.42    3.42    0.00
assign (resid 21    and name HN   ) (resid 30    and name HN   )    3.24    3.24    0.00
assign (resid 19    and name HN   ) (resid 20    and name HN   )    3.33    3.33    0.00
assign (resid 5     and name HN   ) (resid 6     and name HN   )    4.26    4.26    0.00
assign (resid 7     and name HN   ) (resid 8     and name HN   )    4.25    4.25    0.00           !3.92    3.92    0.00
assign (resid 9     and name HA   ) (resid 10    and name HN   )    3.08    3.08    0.00
assign (resid 9     and name HN   ) (resid 10    and name HN   )    4.82    4.82    0.00
assign (resid 9     and name HB1  ) (resid 10    and name HN   )    3.30    3.30    0.00
assign (resid 12    and name HB2  ) (resid 13    and name HN   )    3.89    3.89    0.00
assign (resid 17    and name HB1  ) (resid 18    and name HN   )    3.48    3.48    0.00
assign (resid 20    and name HB1  ) (resid 21    and name HN   )    3.64    3.64    0.00
assign (resid 22    and name HN   ) (resid 23    and name HN   )    4.66    4.66    0.00
assign (resid 23    and name HN   ) (resid 29    and name HA   )    3.67    3.67    0.00
assign (resid 23    and name HB1  ) (resid 26    and name HN   )    4.07    4.07    0.00
assign (resid 26    and name HA   ) (resid 27    and name HN   )    3.45    3.45    0.00
assign (resid 29    and name HN   ) (resid 29    and name HB1  )    3.30    3.30    0.00
assign (resid 29    and name HN   ) (resid 30    and name HN   )    4.45    4.45    0.00
assign (resid 17    and name HN   ) (resid 18    and name HN   )    4.35    4.35    0.00
assign (resid 22    and name HA   ) (resid 30    and name HN   )    3.67    3.67    0.00
assign (resid 30    and name HN   ) (resid 31    and name HN   )    4.66    4.66    0.00
assign (resid 31    and name HN   ) (resid 32    and name HN   )    4.38    4.38    0.00
assign (resid 20    and name HA   ) (resid 31    and name HA   )    3.14    3.14    0.00
assign (resid 4     and name HN   ) (resid 5     and name HN   )    4.45    4.45    0.00
assign (resid 21    and name HN   ) (resid 32    and name HN   )    4.32    4.32    0.00
assign (resid 20    and name HN   ) (resid 21    and name HN   )    4.69    4.69    0.00
assign (resid 18    and name HN   ) (resid 19    and name HN   )    4.29    4.29    0.00
assign (resid 14    and name HN   ) (resid 15    and name HN   )    4.48    4.48    0.00
assign (resid 8     and name HN   ) (resid 9     and name HN   )    4.63    4.63    0.00
assign (resid 25    and name HN   ) (resid 27    and name HN   )    4.38    4.38    0.00
assign (resid 23    and name HN   ) (resid 24    and name HN   )    4.60    4.60    0.00
assign (resid 15    and name HB2  ) (resid 16    and name HN   )    4.54    4.54    0.00
assign (resid 15    and name HB1  ) (resid 16    and name HN   )    4.54    4.54    0.00
assign (resid 27    and name HA   ) (resid 28    and name HA   )    4.54    4.54    0.00
assign (resid 10    and name HA   ) (resid 13    and name HN   )    4.42    4.42    0.00
assign (resid 2     and name HB1  ) (resid 3     and name HN   )    3.36    3.36    0.00
assign (resid 2     and name HB2  ) (resid 3     and name HN   )    3.36    3.36    0.00
assign (resid 2     and name HA   ) (resid 3     and name HN   )    2.56    2.56    0.00
assign (resid 3     and name HB2  ) (resid 4     and name HN   )    3.86    3.86    0.00
assign (resid 5     and name HB2  ) (resid 6     and name HN   )    4.32    4.32    0.00
assign (resid 5     and name HB1  ) (resid 6     and name HN   )    4.32    4.32    0.00
assign (resid 7     and name HB1  ) (resid 8     and name HN   )    3.58    3.58    0.00
assign (resid 16    and name HN   ) (resid 17    and name HN   )    4.51    4.51    0.00
assign (resid 11    and name HA   ) (resid 13    and name HN   )    4.04    4.04    0.00
assign (resid 2     and name HA   ) (resid 2     and name HB2  )    2.93    2.93    0.00
assign (resid 2     and name HA   ) (resid 2     and name HB1  )    2.93    2.93    0.00
assign (resid 10    and name HA   ) (resid 12    and name HN   )    4.23    4.23    0.00
assign (resid 10    and name HN   ) (resid 14    and name HA   )    4.14    4.14    0.00
assign (resid 20    and name HA   ) (resid 32    and name HN   )    3.08    3.08    0.00
assign (resid 27    and name HN   ) (resid 27    and name HG1  )    4.04    4.04    0.00
assign (resid 27    and name HN   ) (resid 27    and name HG2  )    4.04    4.04    0.00
assign (resid 7     and name HN   ) (resid 7     and name HG1  )    3.45    3.45    0.00
assign (resid 5     and name HD1  ) (resid 6     and name HA   )    5.13    5.13    0.00
assign (resid 3     and name HN   ) (resid 3     and name HG   )    2.99    2.99    0.00
assign (resid 10    and name HA   ) (resid 11    and name HD2  )    3.05    3.05    0.00
assign (resid 10    and name HA   ) (resid 11    and name HD1  )    3.05    3.05    0.00
assign (resid 5     and name HA   ) (resid 20    and name HD#   )    7.35    7.35    0.00
assign (resid 6     and name HA   ) (resid 6     and name HD#   )    6.70    6.70    0.00
assign (resid 7     and name HA   ) (resid 7     and name HD2  )    3.86    3.86    0.00
assign (resid 7     and name HA   ) (resid 7     and name HD1  )    3.86    3.86    0.00
assign (resid 26    and name HB1  ) (resid 28    and name HE1  )    5.50    5.50    0.00
assign (resid 5     and name HE1  ) (resid 31    and name HB1  )    5.50    5.50    0.00
assign (resid 5     and name HE1  ) (resid 30    and name HB2  )    5.50    5.50    0.00
assign (resid 26    and name HB2  ) (resid 28    and name HE1  )    5.50    5.50    0.00
assign (resid 27    and name HB1  ) (resid 27    and name HE   )    5.16    5.16    0.00
assign (resid 31    and name HA   ) (resid 31    and name HE#   )    5.84    5.84    0.00
assign (resid 31    and name HA   ) (resid 31    and name HD#   )    7.16    7.16    0.00
assign (resid 20    and name HE#   ) (resid 31    and name HA   )    7.63    7.63    0.00
assign (resid 20    and name HD#   ) (resid 30    and name HA   )    7.60    7.60    0.00
assign (resid 28    and name HD1  ) (resid 30    and name HA   )    5.10    5.10    0.00
assign (resid 5     and name HD1  ) (resid 30    and name HA   )    3.73    3.73    0.00
assign (resid 20    and name HA   ) (resid 20    and name HD#   )    6.85    6.85    0.00
assign (resid 31    and name HE#   ) (resid 32    and name HN   )    7.11    7.11    0.00
assign (resid 20    and name HN   ) (resid 20    and name HD#   )    6.45    6.45    0.00
assign (resid 5     and name HN   ) (resid 20    and name HE#   )    7.54    7.54    0.00
assign (resid 5     and name HD1  ) (resid 20    and name HE#   )    7.04    7.04    0.00
assign (resid 5     and name HD1  ) (resid 20    and name HD#   )    7.63    7.63    0.00
assign (resid 6     and name HZ   ) (resid 28    and name HZ2  )    5.31    5.31    0.00
assign (resid 20    and name HD#   ) (resid 31    and name HN   )    7.63    7.63    0.00
assign (resid 5     and name HD1  ) (resid 6     and name HN   )    3.70    3.70    0.00
assign (resid 20    and name HD#   ) (resid 21    and name HN   )    7.63    7.63    0.00
assign (resid 17    and name HN   ) (resid 20    and name HD#   )    7.63    7.63    0.00
assign (resid 5     and name HE1  ) (resid 31    and name HN   )    4.32    4.32    0.00
assign (resid 6     and name HZ   ) (resid 28    and name HE1  )    5.07    5.07    0.00
assign (resid 3     and name HA   ) (resid 3     and name HG   )    4.20    4.20    0.00
assign (resid 7     and name HN   ) (resid 7     and name HG2  )    3.45    3.45    0.00
assign (resid 27    and name HB2  ) (resid 27    and name HE   )    5.16    5.16    0.00
assign (resid 28    and name HA   ) (resid 28    and name HD1  )    5.00    5.00    0.00
assign (resid 5     and name HE1  ) (resid 30    and name HA   )    4.51    4.51    0.00
assign (resid 5     and name HE1  ) (resid 6     and name HD#   )    7.63    7.63    0.00
assign (resid 5     and name HE1  ) (resid 31    and name HB2  )    5.50    5.50    0.00
assign (resid 6     and name HN   ) (resid 28    and name HD1  )    5.50    5.50    0.00
assign (resid 20    and name HD#   ) (resid 30    and name HN   )    7.63    7.63    0.00
assign (resid 6     and name HN   ) (resid 6     and name HD#   )    7.63    7.63    0.00
assign (resid 6     and name HD#   ) (resid 28    and name HZ2  )    7.63    7.63    0.00
assign (resid 5     and name HD1  ) (resid 6     and name HD#   )    7.63    7.63    0.00
assign (resid 20    and name HE#   ) (resid 31    and name HN   )    7.63    7.63    0.00
assign (resid 6     and name HD#   ) (resid 28    and name HN   )    7.63    7.63    0.00
assign (resid 5     and name HD1  ) (resid 31    and name HN   )    5.50    5.50    0.00
assign (resid 5     and name HN   ) (resid 5     and name HD1  )    5.50    5.50    0.00
assign (resid 6     and name HN   ) (resid 20    and name HD#   )    7.63    7.63    0.00
assign (resid 19    and name HN   ) (resid 20    and name HD#   )    7.63    7.63    0.00
assign (resid 18    and name HN   ) (resid 20    and name HD#   )    7.63    7.63    0.00
assign (resid 20    and name HN   ) (resid 20    and name HE#   )    7.63    7.63    0.00
assign (resid 6     and name HN   ) (resid 20    and name HE#   )    7.63    7.63    0.00
assign (resid 5     and name HE3  ) (resid 6     and name HN   )    5.50    5.50    0.00
assign (resid 5     and name HE1  ) (resid 20    and name HE#   )    7.63    7.63    0.00
assign (resid 5     and name HE1  ) (resid 6     and name HA   )    5.50    5.50    0.00
assign (resid 5     and name HE1  ) (resid 30    and name HB1  )    5.50    5.50    0.00
assign (resid 7     and name HG1  ) (resid 8     and name HN   )    5.50    5.50    0.00
assign (resid 5     and name HB2  ) (resid 6     and name HD#   )    7.63    7.63    0.00
assign (resid 5     and name HB1  ) (resid 6     and name HD#   )    7.63    7.63    0.00
assign (resid 20    and name HD#   ) (resid 31    and name HA   )    6.45    6.45    0.00
assign (resid 20    and name HA   ) (resid 31    and name HE#   )    7.63    7.63    0.00
assign (resid 20    and name HE#   ) (resid 30    and name HA   )    7.63    7.63    0.00
assign (resid 5     and name HA   ) (resid 20    and name HE#   )    6.92    6.92    0.00
assign (resid 7     and name HG2  ) (resid 8     and name HN   )    5.50    5.50    0.00
assign (resid 20    and name HD#   ) (resid 32    and name HN   )    7.63    7.63    0.00
assign (resid 3     and name HG   ) (resid 16    and name HA   )    5.28    5.28    0.00
assign (resid 2     and name HB1  ) (resid 17    and name HA   )    3.45    3.45    0.00
assign (resid 2     and name HB2  ) (resid 17    and name HA   )    3.45    3.45    0.00
assign (resid 21    and name HN   ) (resid 21    and name HG2#  )    4.94    4.94    0.00
assign (resid 3     and name HN   ) (resid 3     and name HD1#  )    5.46    5.46    0.00
assign (resid 3     and name HN   ) (resid 3     and name HD2#  )    5.46    5.46    0.00
assign (resid 33    and name HN   ) (resid 33    and name HD1#  )    6.52    6.52    0.00
assign (resid 21    and name HG2#  ) (resid 22    and name HN   )    5.06    5.06    0.00
assign (resid 33    and name HN   ) (resid 33    and name HD2#  )    6.52    6.52    0.00
assign (resid 21    and name HG2#  ) (resid 30    and name HN   )    6.52    6.52    0.00
assign (resid 21    and name HG2#  ) (resid 32    and name HN   )    6.52    6.52    0.00
assign (resid 3     and name HD1#  ) (resid 15    and name HA   )    6.52    6.52    0.00
assign (resid 3     and name HD2#  ) (resid 15    and name HA   )    6.52    6.52    0.00
assign (resid 21    and name HG2#  ) (resid 32    and name HB1  )    6.43    6.43    0.00
assign (resid 21    and name HG2#  ) (resid 32    and name HB2  )    6.43    6.43    0.00
assign (resid 21    and name HG2#  ) (resid 23    and name HA   )    6.24    6.24    0.00
assign (resid 1     and name HB#   ) (resid 2     and name HN   )    3.29    3.29    0.00
assign (resid 2     and name HN   ) (resid 2     and name HB#   )    3.14    3.14    0.00
assign (resid 2     and name HA   ) (resid 2     and name HB#   )    2.55    2.55    0.00
assign (resid 2     and name HB#   ) (resid 3     and name HN   )    2.71    2.71    0.00
assign (resid 2     and name HB#   ) (resid 3     and name HG   )    3.44    3.44    0.00
assign (resid 2     and name HB#   ) (resid 17    and name HN   )    5.23    5.23    0.00
assign (resid 2     and name HB#   ) (resid 17    and name HA   )    3.00    3.00    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB#   )    2.77    2.77    0.00
assign (resid 3     and name HA   ) (resid 3     and name HD##  )    3.88    3.88    0.00
assign (resid 3     and name HA   ) (resid 7     and name HG#   )    5.05    5.05    0.00
assign (resid 3     and name HB#   ) (resid 4     and name HN   )    3.31    3.31    0.00
assign (resid 3     and name HB#   ) (resid 7     and name HB#   )    3.50    3.50    0.00
assign (resid 3     and name HB#   ) (resid 15    and name HB#   )    4.97    4.97    0.00
assign (resid 3     and name HB#   ) (resid 16    and name HA   )    3.15    3.15    0.00
assign (resid 3     and name HB#   ) (resid 17    and name HN   )    4.07    4.07    0.00
assign (resid 3     and name HG   ) (resid 15    and name HB#   )    4.00    4.00    0.00
assign (resid 3     and name HD##  ) (resid 4     and name HN   )    5.38    5.38    0.00
assign (resid 3     and name HD##  ) (resid 7     and name HB#   )    4.31    4.31    0.00
assign (resid 3     and name HD##  ) (resid 7     and name HE#   )    5.88    5.88    0.00
assign (resid 3     and name HD##  ) (resid 9     and name HN   )    6.42    6.42    0.00
assign (resid 3     and name HD##  ) (resid 9     and name HA   )    4.77    4.77    0.00
assign (resid 3     and name HD##  ) (resid 9     and name HB#   )    4.17    4.17    0.00
assign (resid 3     and name HD##  ) (resid 10    and name HN   )    6.24    6.24    0.00
assign (resid 3     and name HD##  ) (resid 14    and name HB#   )    5.80    5.80    0.00
assign (resid 3     and name HD##  ) (resid 15    and name HN   )    5.73    5.73    0.00
assign (resid 3     and name HD##  ) (resid 15    and name HB#   )    4.05    4.05    0.00
assign (resid 3     and name HD##  ) (resid 15    and name HG#   )    4.47    4.47    0.00
assign (resid 3     and name HD##  ) (resid 15    and name HD#   )    4.57    4.57    0.00
assign (resid 3     and name HD##  ) (resid 16    and name HN   )    6.42    6.42    0.00
assign (resid 3     and name HD##  ) (resid 16    and name HA   )    5.85    5.85    0.00
assign (resid 3     and name HD##  ) (resid 17    and name HN   )    6.42    6.42    0.00
assign (resid 4     and name HN   ) (resid 4     and name HA#   )    2.58    2.58    0.00
assign (resid 4     and name HN   ) (resid 7     and name HG#   )    3.56    3.56    0.00
assign (resid 4     and name HA#   ) (resid 5     and name HA   )    3.94    3.94    0.00
assign (resid 4     and name HA#   ) (resid 5     and name HB#   )    4.23    4.23    0.00
assign (resid 4     and name HA#   ) (resid 5     and name HZ3  )     5.40    5.40    0.00                !5.11    5.11    0.00
assign (resid 4     and name HA#   ) (resid 20    and name HD#   )    7.31    7.31    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB#   )    2.44    2.44    0.00
assign (resid 5     and name HA   ) (resid 20    and name HB#   )    4.62    4.62    0.00
assign (resid 5     and name HA   ) (resid 29    and name HB#   )    5.11    5.11    0.00
assign (resid 5     and name HB#   ) (resid 5     and name HE3  )    3.57    3.57    0.00
assign (resid 5     and name HB#   ) (resid 6     and name HN   )    3.79    3.79    0.00
assign (resid 5     and name HB#   ) (resid 20    and name HB#   )    3.64    3.64    0.00
assign (resid 5     and name HB#   ) (resid 20    and name HD#   )    6.60    6.60    0.00
assign (resid 5     and name HB#   ) (resid 20    and name HE#   )    5.97    5.97    0.00
assign (resid 5     and name HD1  ) (resid 6     and name HB#   )    5.17    5.17    0.00
assign (resid 5     and name HD1  ) (resid 20    and name HB#   )    5.34    5.34    0.00
assign (resid 5     and name HE1  ) (resid 30    and name HG#   )    4.82    4.82    0.00
assign (resid 5     and name HE1  ) (resid 30    and name HD#   )    5.34    5.34    0.00
assign (resid 5     and name HE1  ) (resid 31    and name HB#   )    4.70    4.70    0.00
assign (resid 6     and name HN   ) (resid 29    and name HB#   )    5.00    5.00    0.00
assign (resid 6     and name HA   ) (resid 28    and name HB#   )    3.60    3.60    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB#   )    2.62    2.62    0.00
assign (resid 7     and name HN   ) (resid 7     and name HG#   )    2.99    2.99    0.00
assign (resid 7     and name HN   ) (resid 7     and name HD#   )    3.85    3.85    0.00
assign (resid 7     and name HN   ) (resid 29    and name HB#   )    4.91    4.91    0.00
assign (resid 7     and name HB#   ) (resid 7     and name HE#   )    3.64    3.64    0.00
assign (resid 7     and name HB#   ) (resid 8     and name HN   )    2.93    2.93    0.00
assign (resid 7     and name HD#   ) (resid 8     and name HN   )    4.53    4.53    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB#   )    2.59    2.59    0.00
assign (resid 8     and name HB#   ) (resid 9     and name HN   )    3.47    3.47    0.00
assign (resid 8     and name HB#   ) (resid 28    and name HA   )    5.34    5.34    0.00
assign (resid 9     and name HN   ) (resid 9     and name HB#   )    3.24    3.24    0.00
assign (resid 9     and name HN   ) (resid 28    and name HB#   )    5.08    5.08    0.00
assign (resid 9     and name HB#   ) (resid 10    and name HN   )    2.76    2.76    0.00
assign (resid 9     and name HB#   ) (resid 16    and name HN   )    4.91    4.91    0.00
assign (resid 9     and name HB#   ) (resid 28    and name HA   )    5.34    5.34    0.00
assign (resid 10    and name HA   ) (resid 11    and name HD#   )    2.66    2.66    0.00
assign (resid 10    and name HB#   ) (resid 12    and name HN   )    4.06    4.06    0.00
assign (resid 10    and name HB#   ) (resid 13    and name HN   )    3.38    3.38    0.00
assign (resid 11    and name HA   ) (resid 22    and name HB#   )    3.02    3.02    0.00
assign (resid 11    and name HB#   ) (resid 12    and name HN   )    3.37    3.37    0.00
assign (resid 11    and name HB#   ) (resid 24    and name HA   )    4.38    4.38    0.00
assign (resid 11    and name HG#   ) (resid 12    and name HN   )    3.32    3.32    0.00
assign (resid 11    and name HG#   ) (resid 24    and name HD#   )    4.37    4.37    0.00
assign (resid 11    and name HD#   ) (resid 12    and name HN   )    3.82    3.82    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB#   )    2.67    2.67    0.00
assign (resid 12    and name HN   ) (resid 12    and name HG#   )    4.70    4.70    0.00
assign (resid 12    and name HN   ) (resid 12    and name HD#   )    3.76    3.76    0.00
assign (resid 12    and name HA   ) (resid 12    and name HD#   )    4.12    4.12    0.00
assign (resid 12    and name HB#   ) (resid 12    and name HD#   )    3.19    3.19    0.00
assign (resid 12    and name HB#   ) (resid 13    and name HN   )    3.34    3.34    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB#   )    2.76    2.76    0.00
assign (resid 13    and name HB#   ) (resid 13    and name HD2#  )    2.87    2.87    0.00
assign (resid 13    and name HB#   ) (resid 14    and name HN   )    4.27    4.27    0.00
assign (resid 14    and name HB#   ) (resid 15    and name HN   )    3.43    3.43    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB#   )    2.88    2.88    0.00
assign (resid 15    and name HN   ) (resid 15    and name HG#   )    4.47    4.47    0.00
assign (resid 15    and name HN   ) (resid 15    and name HD#   )    4.47    4.47    0.00
assign (resid 15    and name HA   ) (resid 15    and name HD#   )    4.59    4.59    0.00
assign (resid 15    and name HB#   ) (resid 16    and name HN   )    3.78    3.78    0.00
assign (resid 16    and name HN   ) (resid 16    and name HB#   )    2.90    2.90    0.00
assign (resid 16    and name HB#   ) (resid 17    and name HN   )    3.50    3.50    0.00
assign (resid 16    and name HB#   ) (resid 20    and name HB#   )    3.47    3.47    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB#   )    2.78    2.78    0.00
assign (resid 17    and name HB#   ) (resid 18    and name HN   )    2.76    2.76    0.00
assign (resid 17    and name HB#   ) (resid 20    and name HD#   )    6.80    6.80    0.00
assign (resid 18    and name HN   ) (resid 18    and name HB#   )    2.52    2.52    0.00
assign (resid 18    and name HN   ) (resid 18    and name HD#   )    4.73    4.73    0.00
assign (resid 18    and name HN   ) (resid 18    and name HE#   )    4.94    4.94    0.00
assign (resid 18    and name HA   ) (resid 18    and name HD#   )    3.62    3.62    0.00
assign (resid 18    and name HB#   ) (resid 19    and name HN   )    3.37    3.37    0.00
assign (resid 18    and name HB#   ) (resid 20    and name HN   )    4.56    4.56    0.00
assign (resid 18    and name HD#   ) (resid 19    and name HN   )    4.09    4.09    0.00
assign (resid 19    and name HN   ) (resid 19    and name HB#   )    3.44    3.44    0.00
assign (resid 19    and name HB#   ) (resid 19    and name HD2#  )    2.99    2.99    0.00
assign (resid 19    and name HB#   ) (resid 20    and name HN   )    3.65    3.65    0.00
assign (resid 19    and name HB#   ) (resid 31    and name HE#   )    7.32    7.32    0.00
assign (resid 20    and name HN   ) (resid 20    and name HB#   )    2.90    2.90    0.00
assign (resid 20    and name HB#   ) (resid 21    and name HN   )    2.92    2.92    0.00
assign (resid 20    and name HD#   ) (resid 31    and name HB#   )    7.31    7.31    0.00
assign (resid 20    and name HE#   ) (resid 31    and name HB#   )    6.23    6.23    0.00
assign (resid 21    and name HN   ) (resid 30    and name HB#   )    5.34    5.34    0.00
assign (resid 21    and name HG2#  ) (resid 32    and name HB#   )    5.61    5.61    0.00
assign (resid 23    and name HN   ) (resid 23    and name HB#   )    2.60    2.60    0.00
assign (resid 23    and name HA   ) (resid 23    and name HB#   )    2.63    2.63    0.00
assign (resid 23    and name HB#   ) (resid 24    and name HN   )    3.91    3.91    0.00
assign (resid 23    and name HB#   ) (resid 26    and name HN   )    3.32    3.32    0.00
assign (resid 23    and name HB#   ) (resid 26    and name HB#   )    3.93    3.93    0.00
assign (resid 23    and name HB#   ) (resid 28    and name HN   )    3.52    3.52    0.00
assign (resid 23    and name HB#   ) (resid 28    and name HD1  )    4.44    4.44    0.00
assign (resid 23    and name HB#   ) (resid 30    and name HG#   )    4.06    4.06    0.00
assign (resid 23    and name HB#   ) (resid 30    and name HD#   )    3.81    3.81    0.00
assign (resid 24    and name HN   ) (resid 24    and name HB#   )    2.60    2.60    0.00
assign (resid 24    and name HN   ) (resid 24    and name HG#   )    4.82    4.82    0.00
assign (resid 24    and name HN   ) (resid 24    and name HD#   )    5.34    5.34    0.00
assign (resid 24    and name HA   ) (resid 24    and name HB#   )    2.56    2.56    0.00
assign (resid 24    and name HA   ) (resid 24    and name HD#   )    4.91    4.91    0.00
assign (resid 24    and name HB#   ) (resid 24    and name HG#   )    2.13    2.13    0.00
assign (resid 24    and name HB#   ) (resid 24    and name HD#   )    3.14    3.14    0.00
assign (resid 24    and name HB#   ) (resid 25    and name HN   )    3.08    3.08    0.00
assign (resid 24    and name HD#   ) (resid 27    and name HB#   )    4.91    4.91    0.00
assign (resid 24    and name HD#   ) (resid 27    and name HG#   )    3.69    3.69    0.00
assign (resid 25    and name HN   ) (resid 25    and name HG#   )    3.80    3.80    0.00         !3.47    3.47    0.00
assign (resid 25    and name HA   ) (resid 25    and name HG#   )    3.72    3.72    0.00
assign (resid 25    and name HB#   ) (resid 26    and name HN   )    3.01    3.01    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB#   )    2.97    2.97    0.00
assign (resid 26    and name HB#   ) (resid 28    and name HD1  )    5.02    5.02    0.00
assign (resid 26    and name HB#   ) (resid 28    and name HE1  )    4.68    4.68    0.00
assign (resid 26    and name HB#   ) (resid 28    and name HZ2  )    4.73    4.73    0.00
assign (resid 27    and name HN   ) (resid 27    and name HG#   )    3.48    3.48    0.00
assign (resid 27    and name HA   ) (resid 27    and name HG#   )    3.69    3.69    0.00
assign (resid 27    and name HB#   ) (resid 27    and name HE   )    4.32    4.32    0.00
assign (resid 27    and name HB#   ) (resid 28    and name HN   )    3.79    3.79    0.00
assign (resid 28    and name HN   ) (resid 28    and name HB#   )    3.35    3.35    0.00
assign (resid 28    and name HN   ) (resid 30    and name HG#   )    4.59    4.59    0.00
assign (resid 28    and name HA   ) (resid 29    and name HB#   )    4.32    4.32    0.00
assign (resid 28    and name HB#   ) (resid 29    and name HN   )    2.93    2.93    0.00
assign (resid 28    and name HD1  ) (resid 30    and name HB#   )    5.34    5.34    0.00
assign (resid 28    and name HD1  ) (resid 30    and name HG#   )    4.59    4.59    0.00
assign (resid 28    and name HD1  ) (resid 30    and name HD#   )    5.34    5.34    0.00
assign (resid 29    and name HN   ) (resid 29    and name HB#   )    2.74    2.74    0.00
assign (resid 29    and name HB#   ) (resid 30    and name HN   )    3.53    3.53    0.00
assign (resid 30    and name HN   ) (resid 30    and name HG#   )    4.27    4.27    0.00
assign (resid 30    and name HN   ) (resid 30    and name HD#   )    5.34    5.34    0.00
assign (resid 30    and name HA   ) (resid 30    and name HD#   )    5.32    5.32    0.00
assign (resid 30    and name HB#   ) (resid 30    and name HD#   )    2.63    2.63    0.00
assign (resid 30    and name HG#   ) (resid 31    and name HN   )    5.11    5.11    0.00
assign (resid 31    and name HB#   ) (resid 32    and name HN   )    4.09    4.09    0.00
assign (resid 33    and name HN   ) (resid 33    and name HB#   )    2.97    2.97    0.00
assign (resid 33    and name HN   ) (resid 33    and name HD##  )    5.64    5.64    0.00
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1          1HT       ASP   1 -13.518   5.130  -0.173
    2    H2   ASP   1          2HT       ASP   1 -13.137   5.636  -1.721
    3    H3   ASP   1          3HT       ASP   1 -14.090   6.625  -0.725
    4    HA   ASP   1           HA       ASP   1 -11.820   7.439  -0.883
    5    HB2  ASP   1           HB3      ASP   1 -12.407   6.192   1.823
    6    HB3  ASP   1           HB2      ASP   1 -11.338   7.548   1.513
    7    H    CYS   2           H        CYS   2  -9.625   6.827   0.469
    8    HA   CYS   2           HA       CYS   2  -9.084   4.018  -0.148
    9    HB2  CYS   2           HB3      CYS   2  -6.875   4.607  -0.831
   10    HB3  CYS   2           HB2      CYS   2  -8.034   5.396  -1.887
   11    H    LEU   3           H        LEU   3  -6.692   3.719   0.757
   12    HA   LEU   3           HA       LEU   3  -6.850   4.187   3.616
   13    HB2  LEU   3           HB3      LEU   3  -4.884   2.560   2.057
   14    HB3  LEU   3           HB2      LEU   3  -5.354   2.415   3.735
   15    HG   LEU   3           HG       LEU   3  -7.076   1.741   1.384
   16   HD11  LEU   3          HD11      LEU   3  -5.532  -0.033   3.298
   17   HD12  LEU   3          HD12      LEU   3  -5.211   0.190   1.575
   18   HD13  LEU   3          HD13      LEU   3  -6.686  -0.623   2.102
   19   HD21  LEU   3          HD21      LEU   3  -8.377   2.384   3.332
   20   HD22  LEU   3          HD22      LEU   3  -7.493   1.225   4.330
   21   HD23  LEU   3          HD23      LEU   3  -8.546   0.654   3.035
   22    H    GLY   4           H        GLY   4  -5.060   5.247   4.630
   23    HA2  GLY   4          2HA       GLY   4  -3.172   6.603   2.917
   24    HA3  GLY   4          1HA       GLY   4  -3.294   6.753   4.676
   25    H    TRP   5           H        TRP   5  -0.687   6.216   3.912
   26    HA   TRP   5           HA       TRP   5  -0.649   3.488   3.588
   27    HB2  TRP   5           HB3      TRP   5   1.391   3.680   2.813
   28    HB3  TRP   5           HB2      TRP   5   0.754   5.222   2.410
   29    HD1  TRP   5           HD       TRP   5   3.513   3.556   4.267
   30    HE1  TRP   5          1HE       TRP   5   5.239   5.200   4.924
   31    HE3  TRP   5          3HE       TRP   5   0.793   7.760   3.427
   32    HZ2  TRP   5          2HZ       TRP   5   5.444   8.083   5.192
   33    HZ3  TRP   5          3HZ       TRP   5   1.808   9.943   3.939
   34    HH2  TRP   5           HH       TRP   5   4.091  10.098   4.808
   35    H    PHE   6           H        PHE   6   1.220   2.414   4.763
   36    HA   PHE   6           HA       PHE   6   1.767   1.215   6.483
   37    HB2  PHE   6           HB3      PHE   6   1.059   3.642   8.109
   38    HB3  PHE   6           HB2      PHE   6   1.477   2.108   8.873
   39    HD1  PHE   6          1HD       PHE   6   3.668   1.003   7.819
   40    HD2  PHE   6          2HD       PHE   6   2.779   5.158   7.860
   41    HE1  PHE   6          1HE       PHE   6   6.062   1.506   7.609
   42    HE2  PHE   6          2HE       PHE   6   5.175   5.669   7.641
   43    HZ   PHE   6           HZ       PHE   6   6.820   3.834   7.513
   44    H    LYS   7           H        LYS   7  -1.338   2.040   5.833
   45    HA   LYS   7           HA       LYS   7  -2.574   0.293   7.704
   46    HB2  LYS   7           HB3      LYS   7  -3.598   1.469   5.142
   47    HB3  LYS   7           HB2      LYS   7  -4.548   0.757   6.416
   48    HG2  LYS   7          2HG       LYS   7  -2.890   3.216   6.831
   49    HG3  LYS   7          1HG       LYS   7  -4.586   3.260   6.373
   50    HD2  LYS   7          2HD       LYS   7  -5.090   1.919   8.416
   51    HD3  LYS   7          1HD       LYS   7  -3.391   2.040   8.867
   52    HE2  LYS   7          2HE       LYS   7  -5.262   4.358   8.452
   53    HE3  LYS   7          1HE       LYS   7  -4.822   3.687  10.021
   54    HZ1  LYS   7          1HZ       LYS   7  -2.920   4.938   8.092
   55    HZ2  LYS   7          2HZ       LYS   7  -2.541   4.359   9.642
   56    HZ3  LYS   7          3HZ       LYS   7  -3.552   5.671   9.456
   57    H    SER   8           H        SER   8  -3.357  -1.597   7.141
   58    HA   SER   8           HA       SER   8  -1.764  -3.260   5.492
   59    HB2  SER   8           HB3      SER   8  -4.357  -3.841   6.899
   60    HB3  SER   8           HB2      SER   8  -3.093  -4.980   6.425
   61    HG   SER   8           HG       SER   8  -1.937  -3.092   7.844
   62    H    CYS   9           H        CYS   9  -2.263  -4.096   3.408
   63    HA   CYS   9           HA       CYS   9  -4.923  -3.802   2.478
   64    HB2  CYS   9           HB3      CYS   9  -4.020  -2.832   0.334
   65    HB3  CYS   9           HB2      CYS   9  -4.183  -1.725   1.695
   66    H    ASP  10           H        ASP  10  -4.965  -4.600   0.177
   67    HA   ASP  10           HA       ASP  10  -3.365  -7.043  -0.080
   68    HB2  ASP  10           HB3      ASP  10  -5.844  -7.356   0.119
   69    HB3  ASP  10           HB2      ASP  10  -6.052  -6.319  -1.289
   70    HA   PRO  11           HA       PRO  11  -1.620  -4.373  -3.163
   71    HB2  PRO  11           HB3      PRO  11   0.025  -6.249  -4.360
   72    HB3  PRO  11           HB2      PRO  11   0.440  -5.273  -2.951
   73    HG2  PRO  11          2HG       PRO  11  -0.440  -8.103  -3.093
   74    HG3  PRO  11          1HG       PRO  11   0.640  -7.315  -1.940
   75    HD2  PRO  11          2HD       PRO  11  -1.953  -8.002  -1.400
   76    HD3  PRO  11          1HD       PRO  11  -1.079  -6.698  -0.576
   77    H    LYS  12           H        LYS  12  -3.267  -7.352  -4.044
   78    HA   LYS  12           HA       LYS  12  -3.215  -6.575  -6.813
   79    HB2  LYS  12           HB3      LYS  12  -3.021  -8.976  -5.805
   80    HB3  LYS  12           HB2      LYS  12  -4.770  -8.867  -5.695
   81    HG2  LYS  12          2HG       LYS  12  -4.088 -10.012  -7.721
   82    HG3  LYS  12          1HG       LYS  12  -4.897  -8.485  -8.103
   83    HD2  LYS  12          2HD       LYS  12  -2.815  -7.391  -8.445
   84    HD3  LYS  12          1HD       LYS  12  -1.920  -8.795  -7.881
   85    HE2  LYS  12          2HE       LYS  12  -3.642  -8.639 -10.367
   86    HE3  LYS  12          1HE       LYS  12  -1.883  -8.577 -10.341
   87    HZ1  LYS  12          1HZ       LYS  12  -1.902 -10.823  -9.373
   88    HZ2  LYS  12          2HZ       LYS  12  -2.610 -10.777 -10.890
   89    HZ3  LYS  12          3HZ       LYS  12  -3.578 -10.871  -9.530
   90    H    ASN  13           H        ASN  13  -5.136  -6.247  -4.060
   91    HA   ASN  13           HA       ASN  13  -7.435  -5.322  -5.672
   92    HB2  ASN  13           HB3      ASN  13  -7.783  -7.495  -4.420
   93    HB3  ASN  13           HB2      ASN  13  -7.517  -6.621  -2.925
   94   HD21  ASN  13          HD21      ASN  13  -9.705  -7.160  -5.571
   95   HD22  ASN  13          HD22      ASN  13 -11.088  -6.456  -4.820
   96    H    ASP  14           H        ASP  14  -5.260  -3.900  -5.002
   97    HA   ASP  14           HA       ASP  14  -4.991  -2.567  -2.656
   98    HB2  ASP  14           HB3      ASP  14  -3.271  -2.297  -4.136
   99    HB3  ASP  14           HB2      ASP  14  -4.380  -1.780  -5.419
  100    H    LYS  15           H        LYS  15  -5.897  -1.304  -1.616
  101    HA   LYS  15           HA       LYS  15  -8.145   0.377  -2.536
  102    HB2  LYS  15           HB3      LYS  15  -7.541  -0.859   0.139
  103    HB3  LYS  15           HB2      LYS  15  -8.750   0.386  -0.075
  104    HG2  LYS  15          2HG       LYS  15  -8.793  -2.247  -1.531
  105    HG3  LYS  15          1HG       LYS  15  -9.612  -1.967   0.009
  106    HD2  LYS  15          2HD       LYS  15 -10.918  -0.183  -1.015
  107    HD3  LYS  15          1HD       LYS  15 -10.098  -0.446  -2.550
  108    HE2  LYS  15          2HE       LYS  15 -11.785  -2.477  -1.094
  109    HE3  LYS  15          1HE       LYS  15 -12.321  -1.503  -2.458
  110    HZ1  LYS  15          1HZ       LYS  15 -11.657  -3.719  -3.114
  111    HZ2  LYS  15          2HZ       LYS  15 -10.097  -3.495  -2.554
  112    HZ3  LYS  15          3HZ       LYS  15 -10.683  -2.571  -3.840
  113    H    CYS  16           H        CYS  16  -4.947   0.739  -1.992
  114    HA   CYS  16           HA       CYS  16  -5.170   3.065  -0.275
  115    HB2  CYS  16           HB3      CYS  16  -3.270   1.329  -0.054
  116    HB3  CYS  16           HB2      CYS  16  -2.699   1.913  -1.611
  117    H    CYS  17           H        CYS  17  -4.239   5.135  -1.160
  118    HA   CYS  17           HA       CYS  17  -5.231   5.512  -3.733
  119    HB2  CYS  17           HB3      CYS  17  -4.051   7.231  -1.625
  120    HB3  CYS  17           HB2      CYS  17  -4.063   7.849  -3.268
  121    H    LYS  18           H        LYS  18  -3.629   7.113  -5.080
  122    HA   LYS  18           HA       LYS  18  -1.520   5.309  -5.887
  123    HB2  LYS  18           HB3      LYS  18  -3.255   6.571  -7.431
  124    HB3  LYS  18           HB2      LYS  18  -2.190   7.938  -7.187
  125    HG2  LYS  18          2HG       LYS  18  -1.696   6.806  -9.280
  126    HG3  LYS  18          1HG       LYS  18  -0.324   6.699  -8.178
  127    HD2  LYS  18          2HD       LYS  18  -0.697   4.558  -9.308
  128    HD3  LYS  18          1HD       LYS  18  -1.006   4.385  -7.587
  129    HE2  LYS  18          2HE       LYS  18  -3.438   4.630  -8.046
  130    HE3  LYS  18          1HE       LYS  18  -3.079   4.713  -9.766
  131    HZ1  LYS  18          1HZ       LYS  18  -3.754   2.498  -9.152
  132    HZ2  LYS  18          2HZ       LYS  18  -2.591   2.397  -7.966
  133    HZ3  LYS  18          3HZ       LYS  18  -2.134   2.456  -9.591
  134    H    ASN  19           H        ASN  19   0.465   6.540  -6.561
  135    HA   ASN  19           HA       ASN  19   2.399   7.696  -6.044
  136    HB2  ASN  19           HB3      ASN  19   0.925   9.728  -5.534
  137    HB3  ASN  19           HB2      ASN  19   0.863   9.178  -3.874
  138   HD21  ASN  19          HD21      ASN  19   1.770  11.092  -3.169
  139   HD22  ASN  19          HD22      ASN  19   3.436  11.466  -3.368
  140    H    TYR  20           H        TYR  20   0.451   6.450  -3.576
  141    HA   TYR  20           HA       TYR  20   2.680   5.326  -2.107
  142    HB2  TYR  20           HB3      TYR  20  -0.296   4.940  -1.672
  143    HB3  TYR  20           HB2      TYR  20   1.018   4.644  -0.568
  144    HD1  TYR  20          1HD       TYR  20   2.403   6.730   0.176
  145    HD2  TYR  20          2HD       TYR  20  -1.498   6.921  -1.480
  146    HE1  TYR  20          1HE       TYR  20   2.082   8.938   1.196
  147    HE2  TYR  20          2HE       TYR  20  -1.830   9.132  -0.474
  148    HH   TYR  20           HH       TYR  20   0.670  10.963   0.748
  149    H    THR  21           H        THR  21   2.617   2.935  -1.964
  150    HA   THR  21           HA       THR  21   0.896   1.698  -3.910
  151    HB   THR  21           HB       THR  21   2.973   2.018  -5.012
  152    HG1  THR  21          1HG       THR  21   1.859   0.132  -5.507
  153   HG21  THR  21          1HG2      THR  21   4.550   2.089  -3.162
  154   HG22  THR  21          2HG2      THR  21   5.063   0.847  -4.305
  155   HG23  THR  21          3HG2      THR  21   4.250   0.387  -2.809
  156    H    CYS  22           H        CYS  22   0.549  -0.423  -3.519
  157    HA   CYS  22           HA       CYS  22   0.735  -1.027  -0.672
  158    HB2  CYS  22           HB3      CYS  22  -1.471  -1.167  -1.682
  159    HB3  CYS  22           HB2      CYS  22  -0.879  -2.464  -2.752
  160    H    SER  23           H        SER  23   2.001  -2.307   0.056
  161    HA   SER  23           HA       SER  23   3.998  -3.492  -1.669
  162    HB2  SER  23           HB3      SER  23   4.741  -2.119   0.202
  163    HB3  SER  23           HB2      SER  23   3.872  -3.142   1.335
  164    HG   SER  23           HG       SER  23   6.214  -3.479   1.095
  165    H    ARG  24           H        ARG  24   4.305  -5.577  -1.979
  166    HA   ARG  24           HA       ARG  24   2.480  -7.501  -0.806
  167    HB2  ARG  24           HB3      ARG  24   2.918  -7.641  -3.214
  168    HB3  ARG  24           HB2      ARG  24   4.643  -7.742  -2.922
  169    HG2  ARG  24          2HG       ARG  24   3.808  -9.907  -3.523
  170    HG3  ARG  24          1HG       ARG  24   4.296  -9.922  -1.832
  171    HD2  ARG  24          2HD       ARG  24   1.909  -9.621  -1.196
  172    HD3  ARG  24          1HD       ARG  24   1.474  -9.767  -2.904
  173    HE   ARG  24           HE       ARG  24   3.112 -11.899  -1.976
  174   HH11  ARG  24          1HH1      ARG  24  -0.288 -10.923  -2.392
  175   HH12  ARG  24          2HH1      ARG  24  -0.881 -12.485  -2.053
  176   HH21  ARG  24          1HH2      ARG  24   2.266 -13.974  -1.524
  177   HH22  ARG  24          2HH2      ARG  24   0.577 -14.252  -1.526
  178    H    ARG  25           H        ARG  25   5.617  -6.287  -0.441
  179    HA   ARG  25           HA       ARG  25   6.792  -8.517   0.912
  180    HB2  ARG  25           HB3      ARG  25   8.034  -6.839  -0.441
  181    HB3  ARG  25           HB2      ARG  25   7.633  -5.631   0.762
  182    HG2  ARG  25          2HG       ARG  25   8.823  -6.893   2.444
  183    HG3  ARG  25          1HG       ARG  25   9.254  -8.093   1.213
  184    HD2  ARG  25          2HD       ARG  25  10.431  -6.360  -0.057
  185    HD3  ARG  25          1HD       ARG  25  10.020  -5.176   1.182
  186    HE   ARG  25           HE       ARG  25  11.461  -7.485   2.141
  187   HH11  ARG  25          1HH1      ARG  25  11.765  -4.221   0.833
  188   HH12  ARG  25          2HH1      ARG  25  13.318  -3.959   1.457
  189   HH21  ARG  25          1HH2      ARG  25  13.576  -7.126   3.007
  190   HH22  ARG  25          2HH2      ARG  25  14.369  -5.634   2.755
  191    H    ASP  26           H        ASP  26   5.591  -5.331   1.763
  192    HA   ASP  26           HA       ASP  26   5.861  -5.866   4.630
  193    HB2  ASP  26           HB3      ASP  26   4.787  -3.395   3.241
  194    HB3  ASP  26           HB2      ASP  26   5.179  -3.541   4.945
  195    H    ARG  27           H        ARG  27   3.529  -6.167   2.185
  196    HA   ARG  27           HA       ARG  27   1.444  -6.404   1.977
  197    HB2  ARG  27           HB3      ARG  27   1.563  -7.539   4.768
  198    HB3  ARG  27           HB2      ARG  27   0.242  -7.750   3.613
  199    HG2  ARG  27          2HG       ARG  27   1.371  -9.657   3.174
  200    HG3  ARG  27          1HG       ARG  27   2.183  -8.588   2.063
  201    HD2  ARG  27          2HD       ARG  27   3.825  -9.915   3.205
  202    HD3  ARG  27          1HD       ARG  27   3.962  -8.238   3.727
  203    HE   ARG  27           HE       ARG  27   2.354 -10.025   5.347
  204   HH11  ARG  27          1HH1      ARG  27   5.438  -8.373   4.918
  205   HH12  ARG  27          2HH1      ARG  27   5.915  -8.504   6.549
  206   HH21  ARG  27          1HH2      ARG  27   3.063 -10.295   7.614
  207   HH22  ARG  27          2HH2      ARG  27   4.541  -9.604   8.094
  208    H    TRP  28           H        TRP  28   2.353  -3.847   3.329
  209    HA   TRP  28           HA       TRP  28  -0.370  -2.955   3.601
  210    HB2  TRP  28           HB3      TRP  28   0.182  -1.396   5.421
  211    HB3  TRP  28           HB2      TRP  28   0.507  -3.042   5.912
  212    HD1  TRP  28           HD       TRP  28   2.484   0.014   4.607
  213    HE1  TRP  28          1HE       TRP  28   4.747   0.077   5.817
  214    HE3  TRP  28          3HE       TRP  28   2.058  -4.258   7.337
  215    HZ2  TRP  28          2HZ       TRP  28   6.158  -1.452   7.678
  216    HZ3  TRP  28          3HZ       TRP  28   3.905  -4.893   8.816
  217    HH2  TRP  28           HH       TRP  28   5.921  -3.518   8.987
  218    H    CYS  29           H        CYS  29  -0.380  -0.450   3.363
  219    HA   CYS  29           HA       CYS  29   0.920  -0.021   0.878
  220    HB2  CYS  29           HB3      CYS  29  -1.409   0.637   1.158
  221    HB3  CYS  29           HB2      CYS  29  -0.955   1.751   2.446
  222    H    LYS  30           H        LYS  30   2.465   1.456   0.426
  223    HA   LYS  30           HA       LYS  30   3.517   3.134   2.548
  224    HB2  LYS  30           HB3      LYS  30   5.098   1.051   1.118
  225    HB3  LYS  30           HB2      LYS  30   5.821   2.446   1.848
  226    HG2  LYS  30          2HG       LYS  30   5.246   1.757   4.029
  227    HG3  LYS  30          1HG       LYS  30   4.082   0.582   3.413
  228    HD2  LYS  30          2HD       LYS  30   6.182  -0.406   4.271
  229    HD3  LYS  30          1HD       LYS  30   5.801  -0.832   2.604
  230    HE2  LYS  30          2HE       LYS  30   7.398   0.922   1.865
  231    HE3  LYS  30          1HE       LYS  30   7.816   1.201   3.556
  232    HZ1  LYS  30          1HZ       LYS  30   8.719  -0.942   3.738
  233    HZ2  LYS  30          2HZ       LYS  30   9.298  -0.399   2.245
  234    HZ3  LYS  30          3HZ       LYS  30   8.003  -1.475   2.333
  235    H    TYR  31           H        TYR  31   4.968   4.693   1.878
  236    HA   TYR  31           HA       TYR  31   4.416   5.722  -0.780
  237    HB2  TYR  31           HB3      TYR  31   4.439   7.177   1.308
  238    HB3  TYR  31           HB2      TYR  31   6.160   6.854   1.435
  239    HD1  TYR  31          1HD       TYR  31   7.743   7.873  -0.189
  240    HD2  TYR  31          2HD       TYR  31   3.570   8.678  -0.335
  241    HE1  TYR  31          1HE       TYR  31   8.164   9.797  -1.654
  242    HE2  TYR  31          2HE       TYR  31   3.970  10.578  -1.778
  243    HH   TYR  31           HH       TYR  31   6.908  11.104  -3.335
  244    H    ASP  32           H        ASP  32   5.726   5.013  -2.380
  245    HA   ASP  32           HA       ASP  32   8.579   4.668  -1.772
  246    HB2  ASP  32           HB3      ASP  32   7.396   2.466  -1.472
  247    HB3  ASP  32           HB2      ASP  32   7.000   2.513  -3.185
  248    H    LEU  33           H        LEU  33   6.384   6.083  -3.696
  249    HA   LEU  33           HA       LEU  33   7.891   5.684  -6.164
  250    HB2  LEU  33           HB3      LEU  33   5.197   6.981  -5.743
  251    HB3  LEU  33           HB2      LEU  33   5.967   6.690  -7.289
  252    HG   LEU  33           HG       LEU  33   4.963   4.568  -5.386
  253   HD11  LEU  33          HD11      LEU  33   3.170   5.781  -6.478
  254   HD12  LEU  33          HD12      LEU  33   3.289   4.135  -7.086
  255   HD13  LEU  33          HD13      LEU  33   3.905   5.478  -8.054
  256   HD21  LEU  33          HD21      LEU  33   6.920   3.793  -6.629
  257   HD22  LEU  33          HD22      LEU  33   6.164   4.301  -8.142
  258   HD23  LEU  33          HD23      LEU  33   5.452   2.996  -7.196
  259    HN1  NH2  34           HN1      NH2  34   9.623   6.998  -5.643
  260    HN2  NH2  34           HN2      NH2  34   9.498   8.718  -5.535
  Start of MODEL    2
    1    H1   ASP   1          1HT       ASP   1 -13.330   6.446   0.669
    2    H2   ASP   1          2HT       ASP   1 -13.540   6.295  -0.993
    3    H3   ASP   1          3HT       ASP   1 -13.898   7.764  -0.217
    4    HA   ASP   1           HA       ASP   1 -11.802   7.810  -1.428
    5    HB2  ASP   1           HB3      ASP   1 -11.639   8.030   1.592
    6    HB3  ASP   1           HB2      ASP   1 -10.443   8.681   0.475
    7    H    CYS   2           H        CYS   2  -9.381   7.351  -0.511
    8    HA   CYS   2           HA       CYS   2  -9.265   4.458  -0.249
    9    HB2  CYS   2           HB3      CYS   2  -6.964   4.878  -1.189
   10    HB3  CYS   2           HB2      CYS   2  -8.320   4.875  -2.304
   11    H    LEU   3           H        LEU   3  -6.902   3.900   0.561
   12    HA   LEU   3           HA       LEU   3  -6.797   4.940   3.242
   13    HB2  LEU   3           HB3      LEU   3  -5.078   2.866   1.961
   14    HB3  LEU   3           HB2      LEU   3  -5.507   3.062   3.644
   15    HG   LEU   3           HG       LEU   3  -7.416   2.300   1.488
   16   HD11  LEU   3          HD11      LEU   3  -5.962   0.575   3.537
   17   HD12  LEU   3          HD12      LEU   3  -5.711   0.559   1.791
   18   HD13  LEU   3          HD13      LEU   3  -7.237  -0.005   2.463
   19   HD21  LEU   3          HD21      LEU   3  -7.667   2.224   4.502
   20   HD22  LEU   3          HD22      LEU   3  -8.865   1.597   3.369
   21   HD23  LEU   3          HD23      LEU   3  -8.496   3.323   3.398
   22    H    GLY   4           H        GLY   4  -4.800   5.649   4.163
   23    HA2  GLY   4          2HA       GLY   4  -2.845   6.747   2.319
   24    HA3  GLY   4          1HA       GLY   4  -2.911   7.001   4.074
   25    H    TRP   5           H        TRP   5  -0.380   6.216   3.565
   26    HA   TRP   5           HA       TRP   5  -0.483   3.476   3.201
   27    HB2  TRP   5           HB3      TRP   5   1.645   3.587   2.634
   28    HB3  TRP   5           HB2      TRP   5   1.139   5.169   2.202
   29    HD1  TRP   5           HD       TRP   5   3.562   3.326   4.369
   30    HE1  TRP   5          1HE       TRP   5   5.251   4.923   5.334
   31    HE3  TRP   5          3HE       TRP   5   1.224   7.680   3.169
   32    HZ2  TRP   5          2HZ       TRP   5   5.549   7.760   5.628
   33    HZ3  TRP   5          3HZ       TRP   5   2.269   9.796   3.838
   34    HH2  TRP   5           HH       TRP   5   4.387   9.829   5.045
   35    H    PHE   6           H        PHE   6   1.295   2.370   4.684
   36    HA   PHE   6           HA       PHE   6   1.586   1.242   6.545
   37    HB2  PHE   6           HB3      PHE   6   0.561   3.715   7.934
   38    HB3  PHE   6           HB2      PHE   6   0.915   2.225   8.798
   39    HD1  PHE   6          1HD       PHE   6   3.289   1.220   8.345
   40    HD2  PHE   6          2HD       PHE   6   2.245   5.302   7.742
   41    HE1  PHE   6          1HE       PHE   6   5.647   1.851   8.566
   42    HE2  PHE   6          2HE       PHE   6   4.603   5.935   7.951
   43    HZ   PHE   6           HZ       PHE   6   6.313   4.206   8.366
   44    H    LYS   7           H        LYS   7  -1.471   2.181   5.519
   45    HA   LYS   7           HA       LYS   7  -2.937   0.533   7.258
   46    HB2  LYS   7           HB3      LYS   7  -3.612   1.767   4.597
   47    HB3  LYS   7           HB2      LYS   7  -4.747   1.031   5.709
   48    HG2  LYS   7          2HG       LYS   7  -3.065   3.405   6.396
   49    HG3  LYS   7          1HG       LYS   7  -4.718   3.504   5.796
   50    HD2  LYS   7          2HD       LYS   7  -5.457   2.146   7.732
   51    HD3  LYS   7          1HD       LYS   7  -3.798   2.099   8.312
   52    HE2  LYS   7          2HE       LYS   7  -5.436   4.577   7.912
   53    HE3  LYS   7          1HE       LYS   7  -5.164   3.781   9.462
   54    HZ1  LYS   7          1HZ       LYS   7  -2.785   4.216   9.210
   55    HZ2  LYS   7          2HZ       LYS   7  -3.656   5.646   9.152
   56    HZ3  LYS   7          3HZ       LYS   7  -3.064   4.989   7.735
   57    H    SER   8           H        SER   8  -3.968  -1.237   6.599
   58    HA   SER   8           HA       SER   8  -2.301  -3.148   5.371
   59    HB2  SER   8           HB3      SER   8  -5.121  -3.364   6.399
   60    HB3  SER   8           HB2      SER   8  -3.953  -4.667   6.156
   61    HG   SER   8           HG       SER   8  -4.270  -3.560   8.346
   62    H    CYS   9           H        CYS   9  -2.710  -4.314   3.454
   63    HA   CYS   9           HA       CYS   9  -4.858  -3.439   1.776
   64    HB2  CYS   9           HB3      CYS   9  -3.163  -3.219  -0.057
   65    HB3  CYS   9           HB2      CYS   9  -3.160  -1.933   1.141
   66    H    ASP  10           H        ASP  10  -4.424  -4.675  -0.386
   67    HA   ASP  10           HA       ASP  10  -3.599  -7.445   0.145
   68    HB2  ASP  10           HB3      ASP  10  -6.080  -7.202  -0.205
   69    HB3  ASP  10           HB2      ASP  10  -5.749  -6.467  -1.769
   70    HA   PRO  11           HA       PRO  11  -0.611  -6.217  -2.856
   71    HB2  PRO  11           HB3      PRO  11   0.216  -8.655  -3.759
   72    HB3  PRO  11           HB2      PRO  11   0.715  -7.956  -2.212
   73    HG2  PRO  11          2HG       PRO  11  -1.408  -9.984  -2.781
   74    HG3  PRO  11          1HG       PRO  11  -0.223  -9.950  -1.465
   75    HD2  PRO  11          2HD       PRO  11  -2.788  -9.195  -1.096
   76    HD3  PRO  11          1HD       PRO  11  -1.436  -8.422  -0.240
   77    H    LYS  12           H        LYS  12  -3.292  -8.300  -3.864
   78    HA   LYS  12           HA       LYS  12  -2.693  -7.763  -6.620
   79    HB2  LYS  12           HB3      LYS  12  -4.461  -9.605  -5.115
   80    HB3  LYS  12           HB2      LYS  12  -4.580  -9.361  -6.845
   81    HG2  LYS  12          2HG       LYS  12  -2.289 -10.165  -7.132
   82    HG3  LYS  12          1HG       LYS  12  -2.090 -10.264  -5.382
   83    HD2  LYS  12          2HD       LYS  12  -2.479 -12.467  -6.261
   84    HD3  LYS  12          1HD       LYS  12  -3.865 -11.946  -5.308
   85    HE2  LYS  12          2HE       LYS  12  -4.623 -13.059  -7.332
   86    HE3  LYS  12          1HE       LYS  12  -5.063 -11.359  -7.375
   87    HZ1  LYS  12          1HZ       LYS  12  -2.720 -12.547  -8.772
   88    HZ2  LYS  12          2HZ       LYS  12  -3.220 -10.934  -8.884
   89    HZ3  LYS  12          3HZ       LYS  12  -4.186 -12.154  -9.484
   90    H    ASN  13           H        ASN  13  -4.482  -6.527  -4.095
   91    HA   ASN  13           HA       ASN  13  -6.070  -4.978  -5.946
   92    HB2  ASN  13           HB3      ASN  13  -7.444  -7.000  -5.320
   93    HB3  ASN  13           HB2      ASN  13  -7.446  -6.412  -3.665
   94   HD21  ASN  13          HD21      ASN  13  -9.714  -6.240  -3.727
   95   HD22  ASN  13          HD22      ASN  13 -10.520  -4.959  -4.553
   96    H    ASP  14           H        ASP  14  -4.745  -3.385  -5.337
   97    HA   ASP  14           HA       ASP  14  -4.211  -2.534  -2.679
   98    HB2  ASP  14           HB3      ASP  14  -2.748  -2.069  -4.607
   99    HB3  ASP  14           HB2      ASP  14  -4.018  -1.022  -5.260
  100    H    LYS  15           H        LYS  15  -5.070  -0.897  -1.554
  101    HA   LYS  15           HA       LYS  15  -7.696   0.142  -2.423
  102    HB2  LYS  15           HB3      LYS  15  -6.793  -0.609   0.348
  103    HB3  LYS  15           HB2      LYS  15  -8.377  -0.028  -0.116
  104    HG2  LYS  15          2HG       LYS  15  -7.155  -2.647  -0.980
  105    HG3  LYS  15          1HG       LYS  15  -8.296  -2.450   0.348
  106    HD2  LYS  15          2HD       LYS  15  -9.982  -1.638  -1.228
  107    HD3  LYS  15          1HD       LYS  15  -8.832  -1.821  -2.553
  108    HE2  LYS  15          2HE       LYS  15 -10.366  -3.722  -2.444
  109    HE3  LYS  15          1HE       LYS  15  -8.703  -4.213  -2.142
  110    HZ1  LYS  15          1HZ       LYS  15 -10.218  -5.278  -0.621
  111    HZ2  LYS  15          2HZ       LYS  15 -10.802  -3.800  -0.082
  112    HZ3  LYS  15          3HZ       LYS  15  -9.209  -4.243   0.245
  113    H    CYS  16           H        CYS  16  -4.672   1.171  -2.172
  114    HA   CYS  16           HA       CYS  16  -5.186   3.291  -0.265
  115    HB2  CYS  16           HB3      CYS  16  -2.599   2.180  -1.355
  116    HB3  CYS  16           HB2      CYS  16  -2.721   3.533  -0.225
  117    H    CYS  17           H        CYS  17  -4.288   5.457  -0.807
  118    HA   CYS  17           HA       CYS  17  -5.278   6.262  -3.247
  119    HB2  CYS  17           HB3      CYS  17  -3.616   7.686  -1.172
  120    HB3  CYS  17           HB2      CYS  17  -4.459   8.453  -2.511
  121    H    LYS  18           H        LYS  18  -3.915   7.682  -4.650
  122    HA   LYS  18           HA       LYS  18  -1.988   6.143  -5.900
  123    HB2  LYS  18           HB3      LYS  18  -3.480   7.893  -6.946
  124    HB3  LYS  18           HB2      LYS  18  -2.426   9.110  -6.254
  125    HG2  LYS  18          2HG       LYS  18  -1.916   8.732  -8.608
  126    HG3  LYS  18          1HG       LYS  18  -0.556   8.281  -7.579
  127    HD2  LYS  18          2HD       LYS  18  -0.898   6.634  -9.342
  128    HD3  LYS  18          1HD       LYS  18  -1.202   5.910  -7.768
  129    HE2  LYS  18          2HE       LYS  18  -3.650   6.276  -8.165
  130    HE3  LYS  18          1HE       LYS  18  -3.249   6.851  -9.781
  131    HZ1  LYS  18          1HZ       LYS  18  -3.885   4.553  -9.853
  132    HZ2  LYS  18          2HZ       LYS  18  -2.761   4.141  -8.685
  133    HZ3  LYS  18          3HZ       LYS  18  -2.237   4.631 -10.205
  134    H    ASN  19           H        ASN  19   0.083   6.478  -6.155
  135    HA   ASN  19           HA       ASN  19   2.268   6.913  -5.747
  136    HB2  ASN  19           HB3      ASN  19   1.314   9.090  -3.878
  137    HB3  ASN  19           HB2      ASN  19   3.005   8.732  -4.197
  138   HD21  ASN  19          HD21      ASN  19   2.612   8.249  -7.078
  139   HD22  ASN  19          HD22      ASN  19   2.313   9.801  -7.755
  140    H    TYR  20           H        TYR  20   0.113   6.365  -3.206
  141    HA   TYR  20           HA       TYR  20   2.170   4.951  -1.739
  142    HB2  TYR  20           HB3      TYR  20  -0.773   4.944  -1.160
  143    HB3  TYR  20           HB2      TYR  20   0.573   4.653  -0.084
  144    HD1  TYR  20          1HD       TYR  20  -1.713   7.083  -1.211
  145    HD2  TYR  20          2HD       TYR  20   2.160   6.645   0.444
  146    HE1  TYR  20          1HE       TYR  20  -1.761   9.438  -0.518
  147    HE2  TYR  20          2HE       TYR  20   2.140   8.996   1.143
  148    HH   TYR  20           HH       TYR  20   1.052  11.061   0.586
  149    H    THR  21           H        THR  21   2.153   2.740  -1.751
  150    HA   THR  21           HA       THR  21   0.116   1.385  -3.342
  151    HB   THR  21           HB       THR  21   3.014   0.846  -3.888
  152    HG1  THR  21          1HG       THR  21   1.356   2.892  -4.826
  153   HG21  THR  21          1HG2      THR  21   0.502   0.356  -5.508
  154   HG22  THR  21          2HG2      THR  21   1.380  -0.851  -4.573
  155   HG23  THR  21          3HG2      THR  21   2.135  -0.117  -5.985
  156    H    CYS  22           H        CYS  22  -0.156  -0.651  -2.718
  157    HA   CYS  22           HA       CYS  22   0.611  -1.552  -0.216
  158    HB2  CYS  22           HB3      CYS  22  -1.320  -2.283  -1.477
  159    HB3  CYS  22           HB2      CYS  22  -0.268  -3.233  -2.553
  160    H    SER  23           H        SER  23   2.217  -2.597   0.490
  161    HA   SER  23           HA       SER  23   4.441  -3.221  -1.292
  162    HB2  SER  23           HB3      SER  23   5.007  -1.845   0.640
  163    HB3  SER  23           HB2      SER  23   4.277  -3.017   1.731
  164    HG   SER  23           HG       SER  23   6.619  -3.284   0.164
  165    H    ARG  24           H        ARG  24   5.066  -5.261  -1.658
  166    HA   ARG  24           HA       ARG  24   3.428  -7.391  -0.571
  167    HB2  ARG  24           HB3      ARG  24   4.054  -7.343  -2.985
  168    HB3  ARG  24           HB2      ARG  24   5.739  -7.493  -2.530
  169    HG2  ARG  24          2HG       ARG  24   4.769  -9.611  -3.337
  170    HG3  ARG  24          1HG       ARG  24   5.352  -9.727  -1.677
  171    HD2  ARG  24          2HD       ARG  24   3.134  -9.657  -0.802
  172    HD3  ARG  24          1HD       ARG  24   2.476  -9.150  -2.347
  173    HE   ARG  24           HE       ARG  24   3.413 -11.442  -3.094
  174   HH11  ARG  24          1HH1      ARG  24   2.027 -10.932   0.112
  175   HH12  ARG  24          2HH1      ARG  24   1.135 -12.376   0.119
  176   HH21  ARG  24          1HH2      ARG  24   2.246 -13.466  -3.074
  177   HH22  ARG  24          2HH2      ARG  24   1.275 -13.868  -1.738
  178    H    ARG  25           H        ARG  25   6.286  -5.763   0.094
  179    HA   ARG  25           HA       ARG  25   7.734  -7.856   1.327
  180    HB2  ARG  25           HB3      ARG  25   8.703  -5.807   0.277
  181    HB3  ARG  25           HB2      ARG  25   8.000  -4.865   1.583
  182    HG2  ARG  25          2HG       ARG  25  10.249  -5.197   2.107
  183    HG3  ARG  25          1HG       ARG  25   9.289  -6.265   3.152
  184    HD2  ARG  25          2HD       ARG  25  11.260  -7.448   2.259
  185    HD3  ARG  25          1HD       ARG  25   9.756  -8.159   1.674
  186    HE   ARG  25           HE       ARG  25  10.827  -6.151  -0.048
  187   HH11  ARG  25          1HH1      ARG  25  10.998  -9.617   0.722
  188   HH12  ARG  25          2HH1      ARG  25  11.580 -10.070  -0.811
  189   HH21  ARG  25          1HH2      ARG  25  11.599  -6.788  -2.162
  190   HH22  ARG  25          2HH2      ARG  25  11.951  -8.433  -2.477
  191    H    ASP  26           H        ASP  26   6.026  -4.941   2.482
  192    HA   ASP  26           HA       ASP  26   6.071  -6.036   5.198
  193    HB2  ASP  26           HB3      ASP  26   5.307  -3.289   4.216
  194    HB3  ASP  26           HB2      ASP  26   5.325  -3.787   5.903
  195    H    ARG  27           H        ARG  27   3.978  -5.899   2.612
  196    HA   ARG  27           HA       ARG  27   1.929  -6.428   2.209
  197    HB2  ARG  27           HB3      ARG  27   1.723  -7.351   5.071
  198    HB3  ARG  27           HB2      ARG  27   0.597  -7.674   3.742
  199    HG2  ARG  27          2HG       ARG  27   2.357  -8.886   2.563
  200    HG3  ARG  27          1HG       ARG  27   3.432  -8.632   3.939
  201    HD2  ARG  27          2HD       ARG  27   1.789  -9.812   5.374
  202    HD3  ARG  27          1HD       ARG  27   0.825 -10.151   3.939
  203    HE   ARG  27           HE       ARG  27   3.605 -10.995   4.033
  204   HH11  ARG  27          1HH1      ARG  27   0.187 -11.970   3.933
  205   HH12  ARG  27          2HH1      ARG  27   0.560 -13.621   3.654
  206   HH21  ARG  27          1HH2      ARG  27   4.043 -13.216   3.664
  207   HH22  ARG  27          2HH2      ARG  27   2.768 -14.337   3.486
  208    H    TRP  28           H        TRP  28   2.660  -3.820   3.731
  209    HA   TRP  28           HA       TRP  28  -0.111  -2.926   3.652
  210    HB2  TRP  28           HB3      TRP  28   0.252  -1.313   5.452
  211    HB3  TRP  28           HB2      TRP  28   0.564  -2.926   6.049
  212    HD1  TRP  28           HD       TRP  28   2.683   0.073   4.719
  213    HE1  TRP  28          1HE       TRP  28   4.781   0.260   6.196
  214    HE3  TRP  28          3HE       TRP  28   1.902  -3.949   7.762
  215    HZ2  TRP  28          2HZ       TRP  28   5.947  -1.103   8.351
  216    HZ3  TRP  28          3HZ       TRP  28   3.561  -4.428   9.518
  217    HH2  TRP  28           HH       TRP  28   5.532  -3.036   9.800
  218    H    CYS  29           H        CYS  29  -0.256  -0.565   3.177
  219    HA   CYS  29           HA       CYS  29   1.237  -0.120   0.861
  220    HB2  CYS  29           HB3      CYS  29  -0.733   1.415   2.459
  221    HB3  CYS  29           HB2      CYS  29  -0.036   2.037   0.961
  222    H    LYS  30           H        LYS  30   2.856   1.214   0.478
  223    HA   LYS  30           HA       LYS  30   3.648   3.135   2.497
  224    HB2  LYS  30           HB3      LYS  30   5.498   1.197   1.123
  225    HB3  LYS  30           HB2      LYS  30   6.035   2.696   1.829
  226    HG2  LYS  30          2HG       LYS  30   5.319   1.922   4.023
  227    HG3  LYS  30          1HG       LYS  30   4.719   0.423   3.299
  228    HD2  LYS  30          2HD       LYS  30   6.913  -0.222   2.632
  229    HD3  LYS  30          1HD       LYS  30   7.574   1.354   3.076
  230    HE2  LYS  30          2HE       LYS  30   7.074   0.919   5.404
  231    HE3  LYS  30          1HE       LYS  30   6.348  -0.629   4.980
  232    HZ1  LYS  30          1HZ       LYS  30   8.692  -0.713   5.814
  233    HZ2  LYS  30          2HZ       LYS  30   9.182  -0.018   4.343
  234    HZ3  LYS  30          3HZ       LYS  30   8.377  -1.504   4.377
  235    H    TYR  31           H        TYR  31   5.217   4.708   1.507
  236    HA   TYR  31           HA       TYR  31   3.975   5.692  -0.885
  237    HB2  TYR  31           HB3      TYR  31   4.620   7.158   1.009
  238    HB3  TYR  31           HB2      TYR  31   6.299   6.726   0.750
  239    HD1  TYR  31          1HD       TYR  31   7.616   8.183  -0.469
  240    HD2  TYR  31          2HD       TYR  31   3.409   8.209  -1.096
  241    HE1  TYR  31          1HE       TYR  31   7.854  10.124  -1.933
  242    HE2  TYR  31          2HE       TYR  31   3.635  10.147  -2.567
  243    HH   TYR  31           HH       TYR  31   6.675  11.289  -3.682
  244    H    ASP  32           H        ASP  32   4.546   4.892  -2.746
  245    HA   ASP  32           HA       ASP  32   7.323   3.992  -3.189
  246    HB2  ASP  32           HB3      ASP  32   5.651   2.189  -3.327
  247    HB3  ASP  32           HB2      ASP  32   4.756   3.094  -4.535
  248    H    LEU  33           H        LEU  33   4.891   6.149  -4.044
  249    HA   LEU  33           HA       LEU  33   4.707   7.903  -5.333
  250    HB2  LEU  33           HB3      LEU  33   6.977   8.492  -4.724
  251    HB3  LEU  33           HB2      LEU  33   7.624   7.470  -5.987
  252    HG   LEU  33           HG       LEU  33   6.610   8.964  -7.689
  253   HD11  LEU  33          HD11      LEU  33   5.870  10.676  -5.325
  254   HD12  LEU  33          HD12      LEU  33   4.754   9.850  -6.413
  255   HD13  LEU  33          HD13      LEU  33   5.767  11.159  -7.017
  256   HD21  LEU  33          HD21      LEU  33   8.152  10.832  -7.378
  257   HD22  LEU  33          HD22      LEU  33   8.918   9.287  -7.000
  258   HD23  LEU  33          HD23      LEU  33   8.386  10.353  -5.697
  259    HN1  NH2  34           HN1      NH2  34   6.964   6.417  -7.544
  260    HN2  NH2  34           HN2      NH2  34   5.792   6.062  -8.761
  Start of MODEL    3
    1    H1   ASP   1          1HT       ASP   1 -13.466   5.115  -0.324
    2    H2   ASP   1          2HT       ASP   1 -13.171   5.881  -1.784
    3    H3   ASP   1          3HT       ASP   1 -14.122   6.646  -0.616
    4    HA   ASP   1           HA       ASP   1 -11.892   7.592  -0.689
    5    HB2  ASP   1           HB3      ASP   1 -12.316   5.864   1.761
    6    HB3  ASP   1           HB2      ASP   1 -11.265   7.264   1.659
    7    H    CYS   2           H        CYS   2  -9.594   7.053   0.155
    8    HA   CYS   2           HA       CYS   2  -8.974   4.267  -0.344
    9    HB2  CYS   2           HB3      CYS   2  -6.799   4.994  -1.189
   10    HB3  CYS   2           HB2      CYS   2  -8.128   5.231  -2.305
   11    H    LEU   3           H        LEU   3  -6.689   3.808   0.416
   12    HA   LEU   3           HA       LEU   3  -6.708   4.454   3.234
   13    HB2  LEU   3           HB3      LEU   3  -4.964   2.543   1.748
   14    HB3  LEU   3           HB2      LEU   3  -5.449   2.528   3.429
   15    HG   LEU   3           HG       LEU   3  -7.294   2.092   1.129
   16   HD11  LEU   3          HD11      LEU   3  -5.989   0.082   3.013
   17   HD12  LEU   3          HD12      LEU   3  -5.651   0.256   1.289
   18   HD13  LEU   3          HD13      LEU   3  -7.229  -0.321   1.826
   19   HD21  LEU   3          HD21      LEU   3  -8.819   1.193   2.867
   20   HD22  LEU   3          HD22      LEU   3  -8.438   2.900   3.090
   21   HD23  LEU   3          HD23      LEU   3  -7.656   1.682   4.098
   22    H    GLY   4           H        GLY   4  -4.921   5.326   4.266
   23    HA2  GLY   4          2HA       GLY   4  -2.843   6.526   2.667
   24    HA3  GLY   4          1HA       GLY   4  -3.051   6.662   4.422
   25    H    TRP   5           H        TRP   5  -0.470   6.023   3.884
   26    HA   TRP   5           HA       TRP   5  -0.392   3.297   3.448
   27    HB2  TRP   5           HB3      TRP   5   1.738   3.588   2.954
   28    HB3  TRP   5           HB2      TRP   5   1.128   5.154   2.589
   29    HD1  TRP   5           HD       TRP   5   3.803   3.448   4.381
   30    HE1  TRP   5          1HE       TRP   5   5.279   5.032   5.590
   31    HE3  TRP   5          3HE       TRP   5   0.732   7.547   4.238
   32    HZ2  TRP   5          2HZ       TRP   5   5.170   7.765   6.503
   33    HZ3  TRP   5          3HZ       TRP   5   1.502   9.600   5.333
   34    HH2  TRP   5           HH       TRP   5   3.675   9.703   6.441
   35    H    PHE   6           H        PHE   6   1.282   2.161   4.865
   36    HA   PHE   6           HA       PHE   6   1.674   1.011   6.684
   37    HB2  PHE   6           HB3      PHE   6   0.554   3.374   8.169
   38    HB3  PHE   6           HB2      PHE   6   0.886   1.848   8.978
   39    HD1  PHE   6          1HD       PHE   6   3.286   0.883   8.582
   40    HD2  PHE   6          2HD       PHE   6   2.222   4.972   8.099
   41    HE1  PHE   6          1HE       PHE   6   5.627   1.519   8.924
   42    HE2  PHE   6          2HE       PHE   6   4.575   5.620   8.429
   43    HZ   PHE   6           HZ       PHE   6   6.282   3.891   8.844
   44    H    LYS   7           H        LYS   7  -1.392   1.681   5.563
   45    HA   LYS   7           HA       LYS   7  -2.707  -0.166   7.277
   46    HB2  LYS   7           HB3      LYS   7  -3.566   1.056   4.684
   47    HB3  LYS   7           HB2      LYS   7  -4.583   0.243   5.844
   48    HG2  LYS   7          2HG       LYS   7  -3.073   2.749   6.480
   49    HG3  LYS   7          1HG       LYS   7  -4.747   2.733   5.943
   50    HD2  LYS   7          2HD       LYS   7  -5.328   1.340   7.909
   51    HD3  LYS   7          1HD       LYS   7  -3.640   1.375   8.417
   52    HE2  LYS   7          2HE       LYS   7  -3.760   3.790   8.682
   53    HE3  LYS   7          1HE       LYS   7  -5.439   3.771   8.135
   54    HZ1  LYS   7          1HZ       LYS   7  -6.002   2.429  10.058
   55    HZ2  LYS   7          2HZ       LYS   7  -5.270   3.855  10.559
   56    HZ3  LYS   7          3HZ       LYS   7  -4.409   2.416  10.563
   57    H    SER   8           H        SER   8  -3.364  -2.046   6.645
   58    HA   SER   8           HA       SER   8  -1.564  -3.624   5.161
   59    HB2  SER   8           HB3      SER   8  -4.233  -4.299   6.366
   60    HB3  SER   8           HB2      SER   8  -2.921  -5.405   5.952
   61    HG   SER   8           HG       SER   8  -1.611  -4.138   7.443
   62    H    CYS   9           H        CYS   9  -2.057  -4.896   3.244
   63    HA   CYS   9           HA       CYS   9  -4.437  -4.248   1.811
   64    HB2  CYS   9           HB3      CYS   9  -3.050  -3.459  -0.076
   65    HB3  CYS   9           HB2      CYS   9  -3.162  -2.340   1.285
   66    H    ASP  10           H        ASP  10  -4.051  -5.071  -0.489
   67    HA   ASP  10           HA       ASP  10  -2.470  -7.549  -0.645
   68    HB2  ASP  10           HB3      ASP  10  -4.899  -8.051  -0.436
   69    HB3  ASP  10           HB2      ASP  10  -5.224  -6.991  -1.799
   70    HA   PRO  11           HA       PRO  11  -0.728  -5.189  -3.976
   71    HB2  PRO  11           HB3      PRO  11   0.349  -7.180  -5.490
   72    HB3  PRO  11           HB2      PRO  11   1.077  -6.611  -3.982
   73    HG2  PRO  11          2HG       PRO  11  -0.671  -8.991  -4.465
   74    HG3  PRO  11          1HG       PRO  11   0.805  -8.871  -3.491
   75    HD2  PRO  11          2HD       PRO  11  -1.636  -8.830  -2.354
   76    HD3  PRO  11          1HD       PRO  11  -0.296  -7.850  -1.724
   77    H    LYS  12           H        LYS  12  -3.040  -7.772  -4.696
   78    HA   LYS  12           HA       LYS  12  -3.258  -6.950  -7.416
   79    HB2  LYS  12           HB3      LYS  12  -4.579  -9.030  -5.728
   80    HB3  LYS  12           HB2      LYS  12  -4.800  -8.816  -7.454
   81    HG2  LYS  12          2HG       LYS  12  -2.392  -9.274  -7.790
   82    HG3  LYS  12          1HG       LYS  12  -2.222  -9.492  -6.054
   83    HD2  LYS  12          2HD       LYS  12  -3.781 -11.346  -6.131
   84    HD3  LYS  12          1HD       LYS  12  -3.940 -11.141  -7.883
   85    HE2  LYS  12          2HE       LYS  12  -1.552 -11.576  -8.143
   86    HE3  LYS  12          1HE       LYS  12  -1.407 -11.764  -6.393
   87    HZ1  LYS  12          1HZ       LYS  12  -3.021 -13.475  -8.187
   88    HZ2  LYS  12          2HZ       LYS  12  -2.844 -13.689  -6.515
   89    HZ3  LYS  12          3HZ       LYS  12  -1.522 -13.871  -7.549
   90    H    ASN  13           H        ASN  13  -4.617  -6.392  -4.366
   91    HA   ASN  13           HA       ASN  13  -6.754  -4.821  -5.621
   92    HB2  ASN  13           HB3      ASN  13  -7.812  -6.775  -4.533
   93    HB3  ASN  13           HB2      ASN  13  -7.037  -6.353  -3.013
   94   HD21  ASN  13          HD21      ASN  13  -8.973  -6.092  -1.915
   95   HD22  ASN  13          HD22      ASN  13 -10.065  -4.795  -2.217
   96    H    ASP  14           H        ASP  14  -5.065  -3.256  -5.536
   97    HA   ASP  14           HA       ASP  14  -4.301  -2.275  -2.930
   98    HB2  ASP  14           HB3      ASP  14  -2.835  -2.175  -4.955
   99    HB3  ASP  14           HB2      ASP  14  -3.913  -0.916  -5.587
  100    H    LYS  15           H        LYS  15  -5.161  -0.663  -1.968
  101    HA   LYS  15           HA       LYS  15  -7.385   0.792  -3.194
  102    HB2  LYS  15           HB3      LYS  15  -7.360  -0.705  -0.596
  103    HB3  LYS  15           HB2      LYS  15  -8.469   0.619  -0.887
  104    HG2  LYS  15          2HG       LYS  15  -8.284  -1.901  -2.548
  105    HG3  LYS  15          1HG       LYS  15  -9.479  -1.613  -1.283
  106    HD2  LYS  15          2HD       LYS  15 -10.333   0.322  -2.537
  107    HD3  LYS  15          1HD       LYS  15  -9.140   0.034  -3.800
  108    HE2  LYS  15          2HE       LYS  15 -10.131  -2.147  -4.247
  109    HE3  LYS  15          1HE       LYS  15 -11.314  -1.873  -2.971
  110    HZ1  LYS  15          1HZ       LYS  15 -11.028  -0.200  -5.409
  111    HZ2  LYS  15          2HZ       LYS  15 -12.203  -0.017  -4.221
  112    HZ3  LYS  15          3HZ       LYS  15 -12.191  -1.395  -5.191
  113    H    CYS  16           H        CYS  16  -4.497   1.252  -2.362
  114    HA   CYS  16           HA       CYS  16  -4.919   3.255  -0.332
  115    HB2  CYS  16           HB3      CYS  16  -2.395   2.100  -1.529
  116    HB3  CYS  16           HB2      CYS  16  -2.444   3.318  -0.252
  117    H    CYS  17           H        CYS  17  -4.120   5.403  -0.644
  118    HA   CYS  17           HA       CYS  17  -4.979   6.489  -3.007
  119    HB2  CYS  17           HB3      CYS  17  -3.268   7.651  -0.823
  120    HB3  CYS  17           HB2      CYS  17  -4.194   8.552  -2.012
  121    H    LYS  18           H        LYS  18  -3.671   7.911  -4.289
  122    HA   LYS  18           HA       LYS  18  -1.763   6.553  -5.737
  123    HB2  LYS  18           HB3      LYS  18  -3.301   8.388  -6.525
  124    HB3  LYS  18           HB2      LYS  18  -2.247   9.525  -5.713
  125    HG2  LYS  18          2HG       LYS  18  -1.790   9.499  -8.082
  126    HG3  LYS  18          1HG       LYS  18  -0.403   8.879  -7.187
  127    HD2  LYS  18          2HD       LYS  18  -0.848   7.558  -9.212
  128    HD3  LYS  18          1HD       LYS  18  -1.054   6.585  -7.760
  129    HE2  LYS  18          2HE       LYS  18  -3.456   6.798  -7.911
  130    HE3  LYS  18          1HE       LYS  18  -3.311   7.909  -9.272
  131    HZ1  LYS  18          1HZ       LYS  18  -2.365   6.111 -10.573
  132    HZ2  LYS  18          2HZ       LYS  18  -3.865   5.666 -10.000
  133    HZ3  LYS  18          3HZ       LYS  18  -2.475   5.054  -9.271
  134    H    ASN  19           H        ASN  19   0.294   6.961  -6.042
  135    HA   ASN  19           HA       ASN  19   2.451   7.361  -5.694
  136    HB2  ASN  19           HB3      ASN  19   1.611   9.291  -3.523
  137    HB3  ASN  19           HB2      ASN  19   3.291   8.933  -3.899
  138   HD21  ASN  19          HD21      ASN  19   3.758  11.025  -4.494
  139   HD22  ASN  19          HD22      ASN  19   3.161  11.736  -5.945
  140    H    TYR  20           H        TYR  20   0.495   6.561  -3.061
  141    HA   TYR  20           HA       TYR  20   2.571   5.004  -1.824
  142    HB2  TYR  20           HB3      TYR  20  -0.398   5.036  -1.251
  143    HB3  TYR  20           HB2      TYR  20   0.884   4.353  -0.273
  144    HD1  TYR  20          1HD       TYR  20   2.574   5.865   0.794
  145    HD2  TYR  20          2HD       TYR  20  -0.991   7.339  -0.975
  146    HE1  TYR  20          1HE       TYR  20   2.823   7.940   2.054
  147    HE2  TYR  20          2HE       TYR  20  -0.752   9.434   0.281
  148    HH   TYR  20           HH       TYR  20   2.096  10.300   1.877
  149    H    THR  21           H        THR  21   2.437   2.739  -1.750
  150    HA   THR  21           HA       THR  21   0.626   1.428  -3.618
  151    HB   THR  21           HB       THR  21   3.585   0.940  -3.747
  152    HG1  THR  21          1HG       THR  21   2.085   2.965  -4.788
  153   HG21  THR  21          1HG2      THR  21   3.036  -0.094  -5.926
  154   HG22  THR  21          2HG2      THR  21   1.330   0.266  -5.649
  155   HG23  THR  21          3HG2      THR  21   2.179  -0.863  -4.592
  156    H    CYS  22           H        CYS  22   0.301  -0.646  -3.072
  157    HA   CYS  22           HA       CYS  22   0.805  -1.486  -0.429
  158    HB2  CYS  22           HB3      CYS  22  -1.162  -2.159  -1.650
  159    HB3  CYS  22           HB2      CYS  22  -0.156  -3.102  -2.770
  160    H    SER  23           H        SER  23   2.259  -2.722   0.378
  161    HA   SER  23           HA       SER  23   4.359  -3.780  -1.363
  162    HB2  SER  23           HB3      SER  23   5.179  -2.311   0.401
  163    HB3  SER  23           HB2      SER  23   4.279  -3.208   1.617
  164    HG   SER  23           HG       SER  23   6.592  -3.672   1.442
  165    H    ARG  24           H        ARG  24   4.623  -5.959  -1.481
  166    HA   ARG  24           HA       ARG  24   2.690  -7.549  -0.015
  167    HB2  ARG  24           HB3      ARG  24   2.987  -7.963  -2.471
  168    HB3  ARG  24           HB2      ARG  24   4.638  -8.471  -2.155
  169    HG2  ARG  24          2HG       ARG  24   3.073 -10.371  -2.454
  170    HG3  ARG  24          1HG       ARG  24   3.862 -10.372  -0.872
  171    HD2  ARG  24          2HD       ARG  24   1.890  -9.405   0.149
  172    HD3  ARG  24          1HD       ARG  24   1.107  -9.273  -1.423
  173    HE   ARG  24           HE       ARG  24   1.777 -11.925  -1.004
  174   HH11  ARG  24          1HH1      ARG  24  -0.322  -9.508   0.492
  175   HH12  ARG  24          2HH1      ARG  24  -1.551 -10.618   0.910
  176   HH21  ARG  24          1HH2      ARG  24   0.114 -13.459  -0.427
  177   HH22  ARG  24          2HH2      ARG  24  -1.274 -12.952   0.408
  178    H    ARG  25           H        ARG  25   5.923  -6.655  -0.027
  179    HA   ARG  25           HA       ARG  25   7.082  -8.723   1.504
  180    HB2  ARG  25           HB3      ARG  25   8.310  -7.099   0.131
  181    HB3  ARG  25           HB2      ARG  25   7.761  -5.806   1.183
  182    HG2  ARG  25          2HG       ARG  25   8.930  -6.969   3.043
  183    HG3  ARG  25          1HG       ARG  25   9.642  -8.035   1.819
  184    HD2  ARG  25          2HD       ARG  25   9.878  -5.039   1.954
  185    HD3  ARG  25          1HD       ARG  25  11.162  -6.191   2.317
  186    HE   ARG  25           HE       ARG  25  10.826  -6.895  -0.094
  187   HH11  ARG  25          1HH1      ARG  25  10.461  -3.568   1.054
  188   HH12  ARG  25          2HH1      ARG  25  10.812  -2.844  -0.441
  189   HH21  ARG  25          1HH2      ARG  25  11.353  -5.894  -2.167
  190   HH22  ARG  25          2HH2      ARG  25  11.343  -4.199  -2.300
  191    H    ASP  26           H        ASP  26   5.925  -5.458   2.235
  192    HA   ASP  26           HA       ASP  26   6.110  -5.879   5.106
  193    HB2  ASP  26           HB3      ASP  26   5.095  -3.476   3.567
  194    HB3  ASP  26           HB2      ASP  26   5.401  -3.535   5.295
  195    H    ARG  27           H        ARG  27   3.788  -6.081   2.622
  196    HA   ARG  27           HA       ARG  27   1.705  -6.663   2.485
  197    HB2  ARG  27           HB3      ARG  27   1.902  -7.284   5.435
  198    HB3  ARG  27           HB2      ARG  27   0.555  -7.681   4.363
  199    HG2  ARG  27          2HG       ARG  27   1.863  -9.183   3.093
  200    HG3  ARG  27          1HG       ARG  27   3.354  -8.628   3.851
  201    HD2  ARG  27          2HD       ARG  27   1.110 -10.080   5.246
  202    HD3  ARG  27          1HD       ARG  27   2.625 -10.806   4.709
  203    HE   ARG  27           HE       ARG  27   2.570  -8.607   6.669
  204   HH11  ARG  27          1HH1      ARG  27   3.637 -11.882   5.765
  205   HH12  ARG  27          2HH1      ARG  27   4.621 -12.058   7.140
  206   HH21  ARG  27          1HH2      ARG  27   3.910  -8.912   8.549
  207   HH22  ARG  27          2HH2      ARG  27   4.784 -10.357   8.745
  208    H    TRP  28           H        TRP  28   2.651  -3.955   3.562
  209    HA   TRP  28           HA       TRP  28  -0.039  -2.900   3.687
  210    HB2  TRP  28           HB3      TRP  28   0.511  -1.269   5.424
  211    HB3  TRP  28           HB2      TRP  28   0.741  -2.884   6.043
  212    HD1  TRP  28           HD       TRP  28   2.980  -0.048   4.578
  213    HE1  TRP  28          1HE       TRP  28   5.160   0.029   5.956
  214    HE3  TRP  28          3HE       TRP  28   2.098  -3.973   7.718
  215    HZ2  TRP  28          2HZ       TRP  28   6.329  -1.370   8.097
  216    HZ3  TRP  28          3HZ       TRP  28   3.797  -4.525   9.417
  217    HH2  TRP  28           HH       TRP  28   5.861  -3.250   9.594
  218    H    CYS  29           H        CYS  29  -0.124  -0.601   3.065
  219    HA   CYS  29           HA       CYS  29   1.462  -0.193   0.791
  220    HB2  CYS  29           HB3      CYS  29  -0.648   1.341   2.227
  221    HB3  CYS  29           HB2      CYS  29   0.112   1.909   0.745
  222    H    LYS  30           H        LYS  30   3.059   1.256   0.489
  223    HA   LYS  30           HA       LYS  30   3.686   3.134   2.621
  224    HB2  LYS  30           HB3      LYS  30   5.834   1.696   1.083
  225    HB3  LYS  30           HB2      LYS  30   5.969   2.733   2.455
  226    HG2  LYS  30          2HG       LYS  30   5.024   1.109   3.938
  227    HG3  LYS  30          1HG       LYS  30   4.678   0.029   2.589
  228    HD2  LYS  30          2HD       LYS  30   7.410   0.884   3.544
  229    HD3  LYS  30          1HD       LYS  30   6.672  -0.697   3.782
  230    HE2  LYS  30          2HE       LYS  30   6.578  -0.957   1.305
  231    HE3  LYS  30          1HE       LYS  30   7.471   0.553   1.154
  232    HZ1  LYS  30          1HZ       LYS  30   9.300  -0.468   2.391
  233    HZ2  LYS  30          2HZ       LYS  30   8.909  -1.318   0.988
  234    HZ3  LYS  30          3HZ       LYS  30   8.397  -1.915   2.478
  235    H    TYR  31           H        TYR  31   5.461   4.667   1.602
  236    HA   TYR  31           HA       TYR  31   4.200   5.721  -0.767
  237    HB2  TYR  31           HB3      TYR  31   4.983   7.140   1.187
  238    HB3  TYR  31           HB2      TYR  31   6.634   6.751   0.715
  239    HD1  TYR  31          1HD       TYR  31   3.545   8.441  -0.337
  240    HD2  TYR  31          2HD       TYR  31   7.687   7.900  -1.098
  241    HE1  TYR  31          1HE       TYR  31   3.482  10.310  -1.897
  242    HE2  TYR  31          2HE       TYR  31   7.645   9.778  -2.669
  243    HH   TYR  31           HH       TYR  31   6.025  10.932  -4.053
  244    H    ASP  32           H        ASP  32   4.854   5.163  -2.727
  245    HA   ASP  32           HA       ASP  32   7.545   3.977  -2.984
  246    HB2  ASP  32           HB3      ASP  32   5.722   2.340  -3.373
  247    HB3  ASP  32           HB2      ASP  32   5.120   3.349  -4.680
  248    H    LEU  33           H        LEU  33   5.150   5.840  -4.639
  249    HA   LEU  33           HA       LEU  33   7.004   6.541  -6.769
  250    HB2  LEU  33           HB3      LEU  33   4.225   7.594  -6.308
  251    HB3  LEU  33           HB2      LEU  33   5.168   7.756  -7.760
  252    HG   LEU  33           HG       LEU  33   4.059   5.150  -6.706
  253   HD11  LEU  33          HD11      LEU  33   3.253   6.833  -9.065
  254   HD12  LEU  33          HD12      LEU  33   2.329   6.638  -7.576
  255   HD13  LEU  33          HD13      LEU  33   2.585   5.260  -8.641
  256   HD21  LEU  33          HD21      LEU  33   5.555   5.773  -9.256
  257   HD22  LEU  33          HD22      LEU  33   4.782   4.237  -8.870
  258   HD23  LEU  33          HD23      LEU  33   6.146   4.798  -7.907
  259    HN1  NH2  34           HN1      NH2  34   8.550   7.711  -5.652
  260    HN2  NH2  34           HN2      NH2  34   8.264   9.314  -5.070
  Start of MODEL    4
    1    H1   ASP   1          1HT       ASP   1 -13.339   8.393  -1.658
    2    H2   ASP   1          2HT       ASP   1 -13.316   6.700  -1.514
    3    H3   ASP   1          3HT       ASP   1 -12.290   7.451  -2.581
    4    HA   ASP   1           HA       ASP   1 -11.060   8.445  -0.868
    5    HB2  ASP   1           HB3      ASP   1 -13.132   7.212   0.920
    6    HB3  ASP   1           HB2      ASP   1 -11.512   7.521   1.517
    7    H    CYS   2           H        CYS   2  -9.555   7.201   0.655
    8    HA   CYS   2           HA       CYS   2  -9.248   4.415  -0.173
    9    HB2  CYS   2           HB3      CYS   2  -6.971   4.846  -0.823
   10    HB3  CYS   2           HB2      CYS   2  -8.044   5.776  -1.861
   11    H    LEU   3           H        LEU   3  -6.869   4.004   0.795
   12    HA   LEU   3           HA       LEU   3  -7.048   4.497   3.650
   13    HB2  LEU   3           HB3      LEU   3  -5.189   2.823   2.053
   14    HB3  LEU   3           HB2      LEU   3  -5.536   2.704   3.767
   15    HG   LEU   3           HG       LEU   3  -7.378   2.056   1.512
   16   HD11  LEU   3          HD11      LEU   3  -7.072  -0.307   2.323
   17   HD12  LEU   3          HD12      LEU   3  -5.854   0.282   3.460
   18   HD13  LEU   3          HD13      LEU   3  -5.593   0.426   1.720
   19   HD21  LEU   3          HD21      LEU   3  -8.850   1.074   3.254
   20   HD22  LEU   3          HD22      LEU   3  -8.649   2.817   3.420
   21   HD23  LEU   3          HD23      LEU   3  -7.771   1.722   4.494
   22    H    GLY   4           H        GLY   4  -5.091   5.207   4.726
   23    HA2  GLY   4          2HA       GLY   4  -3.224   6.735   3.124
   24    HA3  GLY   4          1HA       GLY   4  -3.231   6.571   4.890
   25    H    TRP   5           H        TRP   5  -0.717   6.091   3.954
   26    HA   TRP   5           HA       TRP   5  -0.754   3.413   3.257
   27    HB2  TRP   5           HB3      TRP   5   1.348   3.665   2.591
   28    HB3  TRP   5           HB2      TRP   5   0.774   5.275   2.391
   29    HD1  TRP   5           HD       TRP   5   3.301   3.240   4.336
   30    HE1  TRP   5          1HE       TRP   5   4.989   4.772   5.384
   31    HE3  TRP   5          3HE       TRP   5   0.928   7.632   3.459
   32    HZ2  TRP   5          2HZ       TRP   5   5.290   7.589   5.859
   33    HZ3  TRP   5          3HZ       TRP   5   1.957   9.720   4.247
   34    HH2  TRP   5           HH       TRP   5   4.103   9.699   5.427
   35    H    PHE   6           H        PHE   6   1.099   2.190   4.430
   36    HA   PHE   6           HA       PHE   6   1.693   0.894   6.158
   37    HB2  PHE   6           HB3      PHE   6   1.903   3.265   7.364
   38    HB3  PHE   6           HB2      PHE   6   0.475   2.726   8.230
   39    HD1  PHE   6          1HD       PHE   6   4.023   2.529   7.934
   40    HD2  PHE   6          2HD       PHE   6   0.643   0.582   9.607
   41    HE1  PHE   6          1HE       PHE   6   5.499   1.296   9.476
   42    HE2  PHE   6          2HE       PHE   6   2.108  -0.651  11.154
   43    HZ   PHE   6           HZ       PHE   6   4.546  -0.289  11.080
   44    H    LYS   7           H        LYS   7  -1.325   1.452   5.134
   45    HA   LYS   7           HA       LYS   7  -2.663  -0.234   7.030
   46    HB2  LYS   7           HB3      LYS   7  -3.717   1.041   4.536
   47    HB3  LYS   7           HB2      LYS   7  -4.614   0.433   5.906
   48    HG2  LYS   7          2HG       LYS   7  -2.756   2.760   6.080
   49    HG3  LYS   7          1HG       LYS   7  -4.477   2.919   5.786
   50    HD2  LYS   7          2HD       LYS   7  -4.897   1.775   7.945
   51    HD3  LYS   7          1HD       LYS   7  -3.149   1.668   8.190
   52    HE2  LYS   7          2HE       LYS   7  -4.663   4.221   7.802
   53    HE3  LYS   7          1HE       LYS   7  -4.237   3.564   9.383
   54    HZ1  LYS   7          1HZ       LYS   7  -2.188   4.254   7.305
   55    HZ2  LYS   7          2HZ       LYS   7  -1.930   3.906   8.932
   56    HZ3  LYS   7          3HZ       LYS   7  -2.722   5.311   8.485
   57    H    SER   8           H        SER   8  -3.501  -2.101   6.375
   58    HA   SER   8           HA       SER   8  -2.078  -3.752   4.671
   59    HB2  SER   8           HB3      SER   8  -4.809  -4.071   5.899
   60    HB3  SER   8           HB2      SER   8  -3.784  -5.357   5.266
   61    HG   SER   8           HG       SER   8  -2.781  -5.386   7.031
   62    H    CYS   9           H        CYS   9  -2.665  -4.676   2.678
   63    HA   CYS   9           HA       CYS   9  -4.974  -3.682   1.325
   64    HB2  CYS   9           HB3      CYS   9  -3.470  -3.143  -0.617
   65    HB3  CYS   9           HB2      CYS   9  -3.460  -1.994   0.711
   66    H    ASP  10           H        ASP  10  -4.690  -4.619  -1.049
   67    HA   ASP  10           HA       ASP  10  -3.722  -7.386  -0.843
   68    HB2  ASP  10           HB3      ASP  10  -6.223  -7.210  -1.128
   69    HB3  ASP  10           HB2      ASP  10  -5.951  -6.322  -2.623
   70    HA   PRO  11           HA       PRO  11  -0.823  -5.784  -3.708
   71    HB2  PRO  11           HB3      PRO  11  -0.057  -8.117  -4.938
   72    HB3  PRO  11           HB2      PRO  11   0.548  -7.579  -3.366
   73    HG2  PRO  11          2HG       PRO  11  -1.613  -9.538  -4.006
   74    HG3  PRO  11          1HG       PRO  11  -0.357  -9.628  -2.759
   75    HD2  PRO  11          2HD       PRO  11  -2.885  -8.941  -2.179
   76    HD3  PRO  11          1HD       PRO  11  -1.504  -8.210  -1.330
   77    H    LYS  12           H        LYS  12  -3.448  -7.823  -4.936
   78    HA   LYS  12           HA       LYS  12  -2.927  -7.012  -7.621
   79    HB2  LYS  12           HB3      LYS  12  -3.671  -9.291  -6.803
   80    HB3  LYS  12           HB2      LYS  12  -5.239  -8.562  -6.517
   81    HG2  LYS  12          2HG       LYS  12  -5.262  -9.677  -8.621
   82    HG3  LYS  12          1HG       LYS  12  -5.338  -7.928  -8.899
   83    HD2  LYS  12          2HD       LYS  12  -2.925  -7.933  -9.245
   84    HD3  LYS  12          1HD       LYS  12  -2.914  -9.673  -9.035
   85    HE2  LYS  12          2HE       LYS  12  -4.381  -8.153 -11.210
   86    HE3  LYS  12          1HE       LYS  12  -2.917  -9.101 -11.427
   87    HZ1  LYS  12          1HZ       LYS  12  -5.568 -10.181 -10.609
   88    HZ2  LYS  12          2HZ       LYS  12  -4.160 -11.094 -10.819
   89    HZ3  LYS  12          3HZ       LYS  12  -4.858 -10.330 -12.127
   90    H    ASN  13           H        ASN  13  -4.718  -6.019  -4.915
   91    HA   ASN  13           HA       ASN  13  -6.226  -4.123  -6.517
   92    HB2  ASN  13           HB3      ASN  13  -7.762  -5.983  -6.046
   93    HB3  ASN  13           HB2      ASN  13  -7.442  -5.806  -4.329
   94   HD21  ASN  13          HD21      ASN  13  -8.283  -4.038  -3.229
   95   HD22  ASN  13          HD22      ASN  13  -9.570  -3.069  -3.852
   96    H    ASP  14           H        ASP  14  -4.780  -2.727  -5.865
   97    HA   ASP  14           HA       ASP  14  -4.067  -2.082  -3.208
   98    HB2  ASP  14           HB3      ASP  14  -2.949  -1.357  -5.331
   99    HB3  ASP  14           HB2      ASP  14  -4.274  -0.179  -5.496
  100    H    LYS  15           H        LYS  15  -4.977  -0.763  -1.840
  101    HA   LYS  15           HA       LYS  15  -7.756   0.089  -2.359
  102    HB2  LYS  15           HB3      LYS  15  -6.462  -0.924   0.159
  103    HB3  LYS  15           HB2      LYS  15  -8.086  -0.270   0.062
  104    HG2  LYS  15          2HG       LYS  15  -8.797  -2.112  -1.319
  105    HG3  LYS  15          1HG       LYS  15  -7.140  -2.700  -1.452
  106    HD2  LYS  15          2HD       LYS  15  -8.421  -4.021   0.168
  107    HD3  LYS  15          1HD       LYS  15  -7.100  -3.162   0.949
  108    HE2  LYS  15          2HE       LYS  15  -9.085  -3.029   2.331
  109    HE3  LYS  15          1HE       LYS  15  -8.702  -1.435   1.708
  110    HZ1  LYS  15          1HZ       LYS  15 -11.054  -1.889   1.592
  111    HZ2  LYS  15          2HZ       LYS  15 -10.824  -3.246   0.672
  112    HZ3  LYS  15          3HZ       LYS  15 -10.463  -1.725   0.033
  113    H    CYS  16           H        CYS  16  -4.778   1.294  -2.111
  114    HA   CYS  16           HA       CYS  16  -5.439   3.433  -0.267
  115    HB2  CYS  16           HB3      CYS  16  -2.781   2.454  -1.340
  116    HB3  CYS  16           HB2      CYS  16  -3.012   3.710  -0.123
  117    H    CYS  17           H        CYS  17  -4.410   5.579  -1.052
  118    HA   CYS  17           HA       CYS  17  -5.248   5.991  -3.660
  119    HB2  CYS  17           HB3      CYS  17  -4.076   7.693  -1.519
  120    HB3  CYS  17           HB2      CYS  17  -4.177   8.326  -3.148
  121    H    LYS  18           H        LYS  18  -3.521   7.527  -4.958
  122    HA   LYS  18           HA       LYS  18  -1.366   5.701  -5.540
  123    HB2  LYS  18           HB3      LYS  18  -2.904   6.832  -7.272
  124    HB3  LYS  18           HB2      LYS  18  -1.995   8.292  -6.955
  125    HG2  LYS  18          2HG       LYS  18  -1.232   7.139  -8.979
  126    HG3  LYS  18          1HG       LYS  18   0.048   7.253  -7.781
  127    HD2  LYS  18          2HD       LYS  18   0.037   5.048  -8.844
  128    HD3  LYS  18          1HD       LYS  18  -0.368   4.892  -7.141
  129    HE2  LYS  18          2HE       LYS  18  -2.754   4.739  -7.744
  130    HE3  LYS  18          1HE       LYS  18  -2.332   4.898  -9.443
  131    HZ1  LYS  18          1HZ       LYS  18  -1.118   2.813  -9.310
  132    HZ2  LYS  18          2HZ       LYS  18  -2.713   2.606  -8.794
  133    HZ3  LYS  18          3HZ       LYS  18  -1.471   2.679  -7.661
  134    H    ASN  19           H        ASN  19   0.661   6.921  -6.201
  135    HA   ASN  19           HA       ASN  19   2.642   7.786  -5.517
  136    HB2  ASN  19           HB3      ASN  19   1.049   9.289  -3.401
  137    HB3  ASN  19           HB2      ASN  19   2.800   9.393  -3.576
  138   HD21  ASN  19          HD21      ASN  19  -0.268  10.257  -4.944
  139   HD22  ASN  19          HD22      ASN  19   0.330  11.444  -6.046
  140    H    TYR  20           H        TYR  20   0.481   6.704  -3.151
  141    HA   TYR  20           HA       TYR  20   2.474   5.168  -1.727
  142    HB2  TYR  20           HB3      TYR  20  -0.514   5.019  -1.409
  143    HB3  TYR  20           HB2      TYR  20   0.745   4.698  -0.233
  144    HD1  TYR  20          1HD       TYR  20  -1.514   7.129  -1.535
  145    HD2  TYR  20          2HD       TYR  20   2.062   6.691   0.711
  146    HE1  TYR  20          1HE       TYR  20  -1.791   9.397  -0.690
  147    HE2  TYR  20          2HE       TYR  20   1.799   8.972   1.573
  148    HH   TYR  20           HH       TYR  20   0.699  11.020   1.040
  149    H    THR  21           H        THR  21   2.419   2.889  -1.929
  150    HA   THR  21           HA       THR  21   0.463   1.770  -3.712
  151    HB   THR  21           HB       THR  21   2.254   2.364  -5.105
  152    HG1  THR  21          1HG       THR  21   2.551   0.395  -6.114
  153   HG21  THR  21          1HG2      THR  21   4.042   0.625  -3.401
  154   HG22  THR  21          2HG2      THR  21   4.146   2.374  -3.598
  155   HG23  THR  21          3HG2      THR  21   4.516   1.311  -4.956
  156    H    CYS  22           H        CYS  22   0.117  -0.243  -3.442
  157    HA   CYS  22           HA       CYS  22   0.528  -1.331  -0.854
  158    HB2  CYS  22           HB3      CYS  22  -1.494  -1.789  -2.108
  159    HB3  CYS  22           HB2      CYS  22  -0.551  -2.710  -3.302
  160    H    SER  23           H        SER  23   1.906  -2.687  -0.151
  161    HA   SER  23           HA       SER  23   3.811  -3.904  -2.006
  162    HB2  SER  23           HB3      SER  23   4.832  -2.188  -0.563
  163    HB3  SER  23           HB2      SER  23   4.205  -2.996   0.861
  164    HG   SER  23           HG       SER  23   6.394  -3.540   0.470
  165    H    ARG  24           H        ARG  24   4.029  -6.090  -1.839
  166    HA   ARG  24           HA       ARG  24   2.271  -7.488   0.013
  167    HB2  ARG  24           HB3      ARG  24   2.737  -8.083  -2.512
  168    HB3  ARG  24           HB2      ARG  24   4.224  -8.771  -1.899
  169    HG2  ARG  24          2HG       ARG  24   1.431  -9.654  -1.144
  170    HG3  ARG  24          1HG       ARG  24   2.491 -10.463  -2.283
  171    HD2  ARG  24          2HD       ARG  24   2.941 -10.132   0.686
  172    HD3  ARG  24          1HD       ARG  24   2.469 -11.616  -0.131
  173    HE   ARG  24           HE       ARG  24   4.806 -10.931  -1.323
  174   HH11  ARG  24          1HH1      ARG  24   3.831 -11.475   2.069
  175   HH12  ARG  24          2HH1      ARG  24   5.350 -11.980   2.594
  176   HH21  ARG  24          1HH2      ARG  24   6.984 -11.639  -0.541
  177   HH22  ARG  24          2HH2      ARG  24   7.168 -12.075   1.093
  178    H    ARG  25           H        ARG  25   5.536  -6.801  -0.683
  179    HA   ARG  25           HA       ARG  25   6.992  -8.504   0.968
  180    HB2  ARG  25           HB3      ARG  25   7.917  -7.077  -0.809
  181    HB3  ARG  25           HB2      ARG  25   7.540  -5.658   0.146
  182    HG2  ARG  25          2HG       ARG  25   9.019  -6.508   1.909
  183    HG3  ARG  25          1HG       ARG  25   9.499  -7.810   0.813
  184    HD2  ARG  25          2HD       ARG  25  10.311  -6.150  -0.799
  185    HD3  ARG  25          1HD       ARG  25   9.819  -4.852   0.288
  186    HE   ARG  25           HE       ARG  25  11.737  -6.849   1.212
  187   HH11  ARG  25          1HH1      ARG  25  11.128  -3.476   0.320
  188   HH12  ARG  25          2HH1      ARG  25  12.569  -2.892   0.977
  189   HH21  ARG  25          1HH2      ARG  25  13.703  -6.049   2.105
  190   HH22  ARG  25          2HH2      ARG  25  14.079  -4.387   2.006
  191    H    ASP  26           H        ASP  26   5.828  -5.237   1.490
  192    HA   ASP  26           HA       ASP  26   6.590  -5.286   4.287
  193    HB2  ASP  26           HB3      ASP  26   5.171  -3.130   2.712
  194    HB3  ASP  26           HB2      ASP  26   5.783  -2.970   4.350
  195    H    ARG  27           H        ARG  27   3.883  -6.018   2.371
  196    HA   ARG  27           HA       ARG  27   1.905  -6.883   2.785
  197    HB2  ARG  27           HB3      ARG  27   2.546  -6.527   5.700
  198    HB3  ARG  27           HB2      ARG  27   1.167  -7.377   5.002
  199    HG2  ARG  27          2HG       ARG  27   2.525  -9.094   4.138
  200    HG3  ARG  27          1HG       ARG  27   4.002  -8.166   4.428
  201    HD2  ARG  27          2HD       ARG  27   3.721  -9.906   6.126
  202    HD3  ARG  27          1HD       ARG  27   3.628  -8.288   6.808
  203    HE   ARG  27           HE       ARG  27   1.091  -9.392   6.106
  204   HH11  ARG  27          1HH1      ARG  27   3.539  -9.161   8.645
  205   HH12  ARG  27          2HH1      ARG  27   2.449  -9.459   9.932
  206   HH21  ARG  27          1HH2      ARG  27  -0.408  -9.772   7.842
  207   HH22  ARG  27          2HH2      ARG  27   0.134  -9.808   9.456
  208    H    TRP  28           H        TRP  28   2.639  -3.846   3.040
  209    HA   TRP  28           HA       TRP  28  -0.111  -3.024   3.175
  210    HB2  TRP  28           HB3      TRP  28   0.348  -1.211   4.832
  211    HB3  TRP  28           HB2      TRP  28   0.347  -2.824   5.509
  212    HD1  TRP  28           HD       TRP  28   2.928  -0.153   4.385
  213    HE1  TRP  28          1HE       TRP  28   4.964  -0.322   6.006
  214    HE3  TRP  28          3HE       TRP  28   1.468  -4.172   7.117
  215    HZ2  TRP  28          2HZ       TRP  28   5.799  -1.959   8.130
  216    HZ3  TRP  28          3HZ       TRP  28   2.914  -4.987   8.920
  217    HH2  TRP  28           HH       TRP  28   5.046  -3.902   9.413
  218    H    CYS  29           H        CYS  29  -0.285  -0.620   2.776
  219    HA   CYS  29           HA       CYS  29   1.137  -0.023   0.433
  220    HB2  CYS  29           HB3      CYS  29  -0.782   1.386   2.202
  221    HB3  CYS  29           HB2      CYS  29  -0.182   2.097   0.702
  222    H    LYS  30           H        LYS  30   2.824   1.362   0.208
  223    HA   LYS  30           HA       LYS  30   3.533   3.150   2.406
  224    HB2  LYS  30           HB3      LYS  30   5.462   1.332   0.975
  225    HB3  LYS  30           HB2      LYS  30   5.896   2.665   2.008
  226    HG2  LYS  30          2HG       LYS  30   5.031   1.578   3.935
  227    HG3  LYS  30          1HG       LYS  30   4.248   0.351   2.937
  228    HD2  LYS  30          2HD       LYS  30   6.225  -0.568   3.935
  229    HD3  LYS  30          1HD       LYS  30   6.439  -0.432   2.198
  230    HE2  LYS  30          2HE       LYS  30   7.666   1.733   2.649
  231    HE3  LYS  30          1HE       LYS  30   7.615   1.299   4.358
  232    HZ1  LYS  30          1HZ       LYS  30   9.672   0.511   3.508
  233    HZ2  LYS  30          2HZ       LYS  30   8.917  -0.106   2.152
  234    HZ3  LYS  30          3HZ       LYS  30   8.679  -0.881   3.619
  235    H    TYR  31           H        TYR  31   5.210   4.751   1.613
  236    HA   TYR  31           HA       TYR  31   4.260   5.752  -0.933
  237    HB2  TYR  31           HB3      TYR  31   4.498   7.237   1.068
  238    HB3  TYR  31           HB2      TYR  31   6.229   6.938   1.043
  239    HD1  TYR  31          1HD       TYR  31   7.632   7.927  -0.739
  240    HD2  TYR  31          2HD       TYR  31   3.461   8.737  -0.496
  241    HE1  TYR  31          1HE       TYR  31   7.923   9.843  -2.237
  242    HE2  TYR  31          2HE       TYR  31   3.742  10.649  -1.996
  243    HH   TYR  31           HH       TYR  31   6.478  11.173  -3.836
  244    H    ASP  32           H        ASP  32   5.245   5.020  -2.661
  245    HA   ASP  32           HA       ASP  32   8.175   4.820  -2.637
  246    HB2  ASP  32           HB3      ASP  32   7.328   2.555  -2.317
  247    HB3  ASP  32           HB2      ASP  32   6.344   2.705  -3.761
  248    H    LEU  33           H        LEU  33   5.292   5.533  -4.290
  249    HA   LEU  33           HA       LEU  33   6.659   5.781  -6.818
  250    HB2  LEU  33           HB3      LEU  33   3.781   6.280  -6.078
  251    HB3  LEU  33           HB2      LEU  33   4.433   6.274  -7.707
  252    HG   LEU  33           HG       LEU  33   4.296   3.887  -5.865
  253   HD11  LEU  33          HD11      LEU  33   2.559   3.091  -7.384
  254   HD12  LEU  33          HD12      LEU  33   2.630   4.622  -8.260
  255   HD13  LEU  33          HD13      LEU  33   2.095   4.590  -6.581
  256   HD21  LEU  33          HD21      LEU  33   5.106   4.106  -8.768
  257   HD22  LEU  33          HD22      LEU  33   4.890   2.601  -7.877
  258   HD23  LEU  33          HD23      LEU  33   6.171   3.720  -7.415
  259    HN1  NH2  34           HN1      NH2  34   8.027   7.451  -6.204
  260    HN2  NH2  34           HN2      NH2  34   7.493   9.085  -6.007
  Start of MODEL    5
    1    H1   ASP   1          1HT       ASP   1 -14.368   5.698   0.687
    2    H2   ASP   1          2HT       ASP   1 -13.259   4.578   1.368
    3    H3   ASP   1          3HT       ASP   1 -13.699   4.443  -0.215
    4    HA   ASP   1           HA       ASP   1 -12.551   6.376  -0.867
    5    HB2  ASP   1           HB3      ASP   1 -11.847   6.586   2.081
    6    HB3  ASP   1           HB2      ASP   1 -11.131   7.559   0.805
    7    H    CYS   2           H        CYS   2  -9.923   6.522  -0.455
    8    HA   CYS   2           HA       CYS   2  -9.183   3.747  -0.163
    9    HB2  CYS   2           HB3      CYS   2  -7.079   4.423  -1.237
   10    HB3  CYS   2           HB2      CYS   2  -8.486   4.377  -2.280
   11    H    LEU   3           H        LEU   3  -6.945   3.464   0.598
   12    HA   LEU   3           HA       LEU   3  -6.884   4.526   3.277
   13    HB2  LEU   3           HB3      LEU   3  -5.051   2.548   2.019
   14    HB3  LEU   3           HB2      LEU   3  -5.517   2.721   3.696
   15    HG   LEU   3           HG       LEU   3  -7.370   1.897   1.517
   16   HD11  LEU   3          HD11      LEU   3  -7.110  -0.413   2.459
   17   HD12  LEU   3          HD12      LEU   3  -5.833   0.195   3.520
   18   HD13  LEU   3          HD13      LEU   3  -5.619   0.216   1.770
   19   HD21  LEU   3          HD21      LEU   3  -7.628   1.782   4.530
   20   HD22  LEU   3          HD22      LEU   3  -8.795   1.110   3.395
   21   HD23  LEU   3          HD23      LEU   3  -8.511   2.848   3.436
   22    H    GLY   4           H        GLY   4  -5.002   5.395   4.195
   23    HA2  GLY   4          2HA       GLY   4  -3.059   6.617   2.451
   24    HA3  GLY   4          1HA       GLY   4  -3.147   6.747   4.222
   25    H    TRP   5           H        TRP   5  -0.624   6.100   3.315
   26    HA   TRP   5           HA       TRP   5  -0.680   3.352   3.045
   27    HB2  TRP   5           HB3      TRP   5   1.358   3.501   2.195
   28    HB3  TRP   5           HB2      TRP   5   0.716   5.038   1.763
   29    HD1  TRP   5           HD       TRP   5   3.441   3.420   3.818
   30    HE1  TRP   5          1HE       TRP   5   5.188   5.091   4.388
   31    HE3  TRP   5          3HE       TRP   5   0.895   7.585   2.386
   32    HZ2  TRP   5          2HZ       TRP   5   5.460   7.984   4.336
   33    HZ3  TRP   5          3HZ       TRP   5   1.963   9.789   2.699
   34    HH2  TRP   5           HH       TRP   5   4.199   9.975   3.655
   35    H    PHE   6           H        PHE   6   1.362   2.384   4.194
   36    HA   PHE   6           HA       PHE   6   2.175   1.368   5.957
   37    HB2  PHE   6           HB3      PHE   6   2.551   3.779   6.823
   38    HB3  PHE   6           HB2      PHE   6   1.140   3.503   7.840
   39    HD1  PHE   6          1HD       PHE   6   1.457   2.552   9.967
   40    HD2  PHE   6          2HD       PHE   6   4.375   1.971   6.943
   41    HE1  PHE   6          1HE       PHE   6   2.892   1.364  11.579
   42    HE2  PHE   6          2HE       PHE   6   5.808   0.795   8.529
   43    HZ   PHE   6           HZ       PHE   6   5.099   0.471  10.823
   44    H    LYS   7           H        LYS   7  -0.963   1.721   5.338
   45    HA   LYS   7           HA       LYS   7  -1.984   0.187   7.544
   46    HB2  LYS   7           HB3      LYS   7  -3.344   0.975   4.987
   47    HB3  LYS   7           HB2      LYS   7  -4.066   0.516   6.511
   48    HG2  LYS   7          2HG       LYS   7  -2.436   2.989   6.195
   49    HG3  LYS   7          1HG       LYS   7  -4.180   2.949   5.982
   50    HD2  LYS   7          2HD       LYS   7  -4.451   2.187   8.276
   51    HD3  LYS   7          1HD       LYS   7  -2.698   2.109   8.473
   52    HE2  LYS   7          2HE       LYS   7  -4.234   4.586   7.791
   53    HE3  LYS   7          1HE       LYS   7  -3.729   4.156   9.426
   54    HZ1  LYS   7          1HZ       LYS   7  -1.438   4.239   8.712
   55    HZ2  LYS   7          2HZ       LYS   7  -2.181   5.697   8.389
   56    HZ3  LYS   7          3HZ       LYS   7  -1.866   4.632   7.128
   57    H    SER   8           H        SER   8  -2.644  -1.825   7.220
   58    HA   SER   8           HA       SER   8  -1.255  -3.502   5.466
   59    HB2  SER   8           HB3      SER   8  -3.698  -4.006   7.162
   60    HB3  SER   8           HB2      SER   8  -2.615  -5.217   6.484
   61    HG   SER   8           HG       SER   8  -2.163  -3.381   8.559
   62    H    CYS   9           H        CYS   9  -1.895  -4.319   3.487
   63    HA   CYS   9           HA       CYS   9  -4.599  -4.023   2.687
   64    HB2  CYS   9           HB3      CYS   9  -3.763  -3.053   0.499
   65    HB3  CYS   9           HB2      CYS   9  -3.833  -1.948   1.867
   66    H    ASP  10           H        ASP  10  -4.564  -4.792   0.285
   67    HA   ASP  10           HA       ASP  10  -2.916  -7.195   0.026
   68    HB2  ASP  10           HB3      ASP  10  -5.283  -7.736   0.586
   69    HB3  ASP  10           HB2      ASP  10  -5.805  -6.766  -0.781
   70    HA   PRO  11           HA       PRO  11  -1.913  -4.517  -3.390
   71    HB2  PRO  11           HB3      PRO  11   0.013  -6.103  -4.499
   72    HB3  PRO  11           HB2      PRO  11   0.297  -5.047  -3.111
   73    HG2  PRO  11          2HG       PRO  11  -0.203  -7.980  -3.192
   74    HG3  PRO  11          1HG       PRO  11   0.903  -7.041  -2.168
   75    HD2  PRO  11          2HD       PRO  11  -1.487  -7.984  -1.302
   76    HD3  PRO  11          1HD       PRO  11  -0.735  -6.503  -0.669
   77    H    LYS  12           H        LYS  12  -2.943  -7.812  -3.630
   78    HA   LYS  12           HA       LYS  12  -3.114  -7.794  -6.421
   79    HB2  LYS  12           HB3      LYS  12  -2.851  -9.811  -4.884
   80    HB3  LYS  12           HB2      LYS  12  -4.567  -9.652  -4.545
   81    HG2  LYS  12          2HG       LYS  12  -4.129 -11.338  -6.253
   82    HG3  LYS  12          1HG       LYS  12  -5.067  -9.985  -6.905
   83    HD2  LYS  12          2HD       LYS  12  -3.061  -8.996  -7.808
   84    HD3  LYS  12          1HD       LYS  12  -2.092 -10.292  -7.123
   85    HE2  LYS  12          2HE       LYS  12  -3.214 -11.893  -8.574
   86    HE3  LYS  12          1HE       LYS  12  -4.264 -10.617  -9.194
   87    HZ1  LYS  12          1HZ       LYS  12  -2.421 -11.067 -10.705
   88    HZ2  LYS  12          2HZ       LYS  12  -1.311 -10.682  -9.487
   89    HZ3  LYS  12          3HZ       LYS  12  -2.317  -9.504 -10.092
   90    H    ASN  13           H        ASN  13  -5.187  -6.904  -3.795
   91    HA   ASN  13           HA       ASN  13  -6.987  -5.680  -5.743
   92    HB2  ASN  13           HB3      ASN  13  -8.149  -7.683  -4.796
   93    HB3  ASN  13           HB2      ASN  13  -7.936  -7.005  -3.187
   94   HD21  ASN  13          HD21      ASN  13 -10.112  -6.820  -2.766
   95   HD22  ASN  13          HD22      ASN  13 -11.146  -5.692  -3.568
   96    H    ASP  14           H        ASP  14  -5.644  -3.982  -5.373
   97    HA   ASP  14           HA       ASP  14  -4.931  -2.863  -2.943
   98    HB2  ASP  14           HB3      ASP  14  -3.639  -2.262  -4.731
   99    HB3  ASP  14           HB2      ASP  14  -5.047  -1.851  -5.722
  100    H    LYS  15           H        LYS  15  -5.617  -1.312  -1.740
  101    HA   LYS  15           HA       LYS  15  -8.189  -0.062  -2.283
  102    HB2  LYS  15           HB3      LYS  15  -7.261  -1.349   0.263
  103    HB3  LYS  15           HB2      LYS  15  -8.608  -0.237   0.171
  104    HG2  LYS  15          2HG       LYS  15  -8.438  -2.840  -1.344
  105    HG3  LYS  15          1HG       LYS  15  -9.250  -2.654   0.210
  106    HD2  LYS  15          2HD       LYS  15 -10.752  -0.984  -0.822
  107    HD3  LYS  15          1HD       LYS  15  -9.955  -1.252  -2.375
  108    HE2  LYS  15          2HE       LYS  15 -10.634  -3.590  -2.331
  109    HE3  LYS  15          1HE       LYS  15 -11.392  -3.349  -0.759
  110    HZ1  LYS  15          1HZ       LYS  15 -13.000  -3.302  -2.548
  111    HZ2  LYS  15          2HZ       LYS  15 -12.210  -2.015  -3.284
  112    HZ3  LYS  15          3HZ       LYS  15 -12.944  -1.799  -1.789
  113    H    CYS  16           H        CYS  16  -4.927   0.560  -1.883
  114    HA   CYS  16           HA       CYS  16  -5.531   2.836  -0.205
  115    HB2  CYS  16           HB3      CYS  16  -3.091   3.159   0.116
  116    HB3  CYS  16           HB2      CYS  16  -3.605   1.572   0.647
  117    H    CYS  17           H        CYS  17  -4.440   4.961  -0.918
  118    HA   CYS  17           HA       CYS  17  -5.513   5.469  -3.421
  119    HB2  CYS  17           HB3      CYS  17  -3.707   7.153  -1.697
  120    HB3  CYS  17           HB2      CYS  17  -4.762   7.705  -2.990
  121    H    LYS  18           H        LYS  18  -4.249   6.627  -5.064
  122    HA   LYS  18           HA       LYS  18  -2.139   4.989  -5.984
  123    HB2  LYS  18           HB3      LYS  18  -3.895   6.001  -7.415
  124    HB3  LYS  18           HB2      LYS  18  -3.199   7.578  -7.098
  125    HG2  LYS  18          2HG       LYS  18  -1.294   7.131  -8.368
  126    HG3  LYS  18          1HG       LYS  18  -1.543   5.384  -8.295
  127    HD2  LYS  18          2HD       LYS  18  -2.108   6.195 -10.490
  128    HD3  LYS  18          1HD       LYS  18  -3.525   5.612  -9.606
  129    HE2  LYS  18          2HE       LYS  18  -4.064   7.968  -9.013
  130    HE3  LYS  18          1HE       LYS  18  -2.727   8.497 -10.034
  131    HZ1  LYS  18          1HZ       LYS  18  -4.818   8.631 -11.219
  132    HZ2  LYS  18          2HZ       LYS  18  -5.132   7.007 -10.934
  133    HZ3  LYS  18          3HZ       LYS  18  -3.859   7.444 -11.923
  134    H    ASN  19           H        ASN  19  -0.206   6.075  -6.805
  135    HA   ASN  19           HA       ASN  19   1.810   7.127  -6.519
  136    HB2  ASN  19           HB3      ASN  19   0.770   9.317  -6.276
  137    HB3  ASN  19           HB2      ASN  19   0.257   8.947  -4.641
  138   HD21  ASN  19          HD21      ASN  19   1.653   9.285  -2.987
  139   HD22  ASN  19          HD22      ASN  19   3.198  10.033  -3.180
  140    H    TYR  20           H        TYR  20   0.019   5.977  -3.932
  141    HA   TYR  20           HA       TYR  20   2.391   4.994  -2.578
  142    HB2  TYR  20           HB3      TYR  20  -0.498   4.568  -1.837
  143    HB3  TYR  20           HB2      TYR  20   0.928   4.448  -0.831
  144    HD1  TYR  20          1HD       TYR  20   2.290   6.952  -1.014
  145    HD2  TYR  20          2HD       TYR  20  -1.881   6.209  -1.116
  146    HE1  TYR  20          1HE       TYR  20   1.873   9.225  -0.203
  147    HE2  TYR  20          2HE       TYR  20  -2.313   8.492  -0.307
  148    HH   TYR  20           HH       TYR  20  -1.026  10.233   1.029
  149    H    THR  21           H        THR  21   2.554   2.671  -2.489
  150    HA   THR  21           HA       THR  21   0.648   1.262  -4.149
  151    HB   THR  21           HB       THR  21   2.572   1.649  -5.501
  152    HG1  THR  21          1HG       THR  21   1.911  -0.201  -6.209
  153   HG21  THR  21          1HG2      THR  21   4.784   0.613  -5.000
  154   HG22  THR  21          2HG2      THR  21   4.172   0.162  -3.410
  155   HG23  THR  21          3HG2      THR  21   4.337   1.864  -3.839
  156    H    CYS  22           H        CYS  22   0.470  -0.860  -3.674
  157    HA   CYS  22           HA       CYS  22   0.866  -1.291  -0.829
  158    HB2  CYS  22           HB3      CYS  22  -1.396  -1.571  -1.660
  159    HB3  CYS  22           HB2      CYS  22  -0.848  -2.893  -2.711
  160    H    SER  23           H        SER  23   2.049  -2.762   0.031
  161    HA   SER  23           HA       SER  23   3.891  -4.126  -1.769
  162    HB2  SER  23           HB3      SER  23   4.933  -2.617  -0.185
  163    HB3  SER  23           HB2      SER  23   4.097  -3.372   1.160
  164    HG   SER  23           HG       SER  23   6.398  -3.965   0.642
  165    H    ARG  24           H        ARG  24   4.248  -6.275  -1.639
  166    HA   ARG  24           HA       ARG  24   2.372  -7.856  -0.026
  167    HB2  ARG  24           HB3      ARG  24   2.530  -8.175  -2.580
  168    HB3  ARG  24           HB2      ARG  24   4.121  -8.833  -2.287
  169    HG2  ARG  24          2HG       ARG  24   2.437 -10.595  -2.605
  170    HG3  ARG  24          1HG       ARG  24   3.176 -10.666  -1.003
  171    HD2  ARG  24          2HD       ARG  24   1.260  -9.869   0.055
  172    HD3  ARG  24          1HD       ARG  24   0.627  -9.148  -1.419
  173    HE   ARG  24           HE       ARG  24   0.812 -11.998  -1.555
  174   HH11  ARG  24          1HH1      ARG  24  -1.186  -9.466  -0.120
  175   HH12  ARG  24          2HH1      ARG  24  -2.684 -10.152  -0.540
  176   HH21  ARG  24          1HH2      ARG  24  -1.261 -13.064  -2.025
  177   HH22  ARG  24          2HH2      ARG  24  -2.724 -12.288  -1.606
  178    H    ARG  25           H        ARG  25   5.581  -6.887  -0.430
  179    HA   ARG  25           HA       ARG  25   6.873  -9.048   0.931
  180    HB2  ARG  25           HB3      ARG  25   7.966  -7.584  -0.760
  181    HB3  ARG  25           HB2      ARG  25   7.809  -6.239   0.361
  182    HG2  ARG  25          2HG       ARG  25   9.067  -7.678   1.997
  183    HG3  ARG  25          1HG       ARG  25   9.482  -8.687   0.603
  184    HD2  ARG  25          2HD       ARG  25  11.269  -7.111   0.945
  185    HD3  ARG  25          1HD       ARG  25  10.380  -6.640  -0.508
  186    HE   ARG  25           HE       ARG  25   9.224  -5.248   1.577
  187   HH11  ARG  25          1HH1      ARG  25  12.393  -5.344   0.026
  188   HH12  ARG  25          2HH1      ARG  25  12.810  -3.751   0.490
  189   HH21  ARG  25          1HH2      ARG  25   9.782  -3.163   2.255
  190   HH22  ARG  25          2HH2      ARG  25  11.283  -2.473   1.802
  191    H    ASP  26           H        ASP  26   6.009  -5.704   1.584
  192    HA   ASP  26           HA       ASP  26   6.692  -5.908   4.409
  193    HB2  ASP  26           HB3      ASP  26   5.476  -3.587   2.869
  194    HB3  ASP  26           HB2      ASP  26   6.132  -3.519   4.499
  195    H    ARG  27           H        ARG  27   4.048  -6.096   2.266
  196    HA   ARG  27           HA       ARG  27   1.991  -6.732   2.396
  197    HB2  ARG  27           HB3      ARG  27   2.435  -7.193   5.332
  198    HB3  ARG  27           HB2      ARG  27   1.057  -7.722   4.357
  199    HG2  ARG  27          2HG       ARG  27   2.561  -9.097   2.996
  200    HG3  ARG  27          1HG       ARG  27   3.908  -8.618   4.031
  201    HD2  ARG  27          2HD       ARG  27   1.450 -10.142   4.865
  202    HD3  ARG  27          1HD       ARG  27   3.078 -10.794   4.699
  203    HE   ARG  27           HE       ARG  27   3.273  -8.721   6.475
  204   HH11  ARG  27          1HH1      ARG  27   1.512 -11.792   6.340
  205   HH12  ARG  27          2HH1      ARG  27   1.441 -11.971   8.032
  206   HH21  ARG  27          1HH2      ARG  27   3.162  -8.982   8.799
  207   HH22  ARG  27          2HH2      ARG  27   2.380 -10.352   9.446
  208    H    TRP  28           H        TRP  28   2.992  -3.952   3.422
  209    HA   TRP  28           HA       TRP  28   0.263  -3.062   3.687
  210    HB2  TRP  28           HB3      TRP  28   0.922  -1.239   5.253
  211    HB3  TRP  28           HB2      TRP  28   1.091  -2.836   5.942
  212    HD1  TRP  28           HD       TRP  28   3.324  -0.039   4.450
  213    HE1  TRP  28          1HE       TRP  28   5.585  -0.081   5.735
  214    HE3  TRP  28          3HE       TRP  28   2.559  -4.170   7.337
  215    HZ2  TRP  28          2HZ       TRP  28   6.859  -1.679   7.663
  216    HZ3  TRP  28          3HZ       TRP  28   4.346  -4.890   8.869
  217    HH2  TRP  28           HH       TRP  28   6.447  -3.668   9.018
  218    H    CYS  29           H        CYS  29   0.093  -0.666   3.209
  219    HA   CYS  29           HA       CYS  29   1.281  -0.365   0.648
  220    HB2  CYS  29           HB3      CYS  29  -1.125   0.110   1.075
  221    HB3  CYS  29           HB2      CYS  29  -0.642   1.445   2.114
  222    H    LYS  30           H        LYS  30   2.682   1.203   0.016
  223    HA   LYS  30           HA       LYS  30   3.724   3.043   2.016
  224    HB2  LYS  30           HB3      LYS  30   5.379   1.076   0.465
  225    HB3  LYS  30           HB2      LYS  30   6.025   2.502   1.234
  226    HG2  LYS  30          2HG       LYS  30   5.488   1.689   3.406
  227    HG3  LYS  30          1HG       LYS  30   4.495   0.398   2.733
  228    HD2  LYS  30          2HD       LYS  30   6.625  -0.432   3.559
  229    HD3  LYS  30          1HD       LYS  30   6.475  -0.679   1.818
  230    HE2  LYS  30          2HE       LYS  30   8.712   0.056   2.325
  231    HE3  LYS  30          1HE       LYS  30   7.865   1.350   1.485
  232    HZ1  LYS  30          1HZ       LYS  30   8.279   1.186   4.414
  233    HZ2  LYS  30          2HZ       LYS  30   7.539   2.465   3.624
  234    HZ3  LYS  30          3HZ       LYS  30   9.179   2.145   3.377
  235    H    TYR  31           H        TYR  31   5.120   4.674   1.095
  236    HA   TYR  31           HA       TYR  31   3.941   5.885  -1.188
  237    HB2  TYR  31           HB3      TYR  31   5.090   6.929   0.922
  238    HB3  TYR  31           HB2      TYR  31   6.588   6.626   0.061
  239    HD1  TYR  31          1HD       TYR  31   3.923   8.889   0.602
  240    HD2  TYR  31          2HD       TYR  31   6.798   7.734  -2.306
  241    HE1  TYR  31          1HE       TYR  31   3.648  11.047  -0.511
  242    HE2  TYR  31          2HE       TYR  31   6.523   9.900  -3.434
  243    HH   TYR  31           HH       TYR  31   4.959  12.506  -2.011
  244    H    ASP  32           H        ASP  32   4.501   5.505  -3.234
  245    HA   ASP  32           HA       ASP  32   6.239   3.440  -3.958
  246    HB2  ASP  32           HB3      ASP  32   4.407   4.112  -5.427
  247    HB3  ASP  32           HB2      ASP  32   5.204   5.649  -5.740
  248    H    LEU  33           H        LEU  33   6.799   6.839  -4.186
  249    HA   LEU  33           HA       LEU  33   9.547   6.405  -4.968
  250    HB2  LEU  33           HB3      LEU  33   8.199   8.407  -5.732
  251    HB3  LEU  33           HB2      LEU  33   8.257   9.012  -4.093
  252    HG   LEU  33           HG       LEU  33   9.815  10.140  -5.700
  253   HD11  LEU  33          HD11      LEU  33  11.191   8.762  -3.407
  254   HD12  LEU  33          HD12      LEU  33  10.303  10.284  -3.333
  255   HD13  LEU  33          HD13      LEU  33  11.791  10.177  -4.273
  256   HD21  LEU  33          HD21      LEU  33  11.230   7.482  -5.684
  257   HD22  LEU  33          HD22      LEU  33  11.869   8.975  -6.359
  258   HD23  LEU  33          HD23      LEU  33  10.427   8.238  -7.061
  259    HN1  NH2  34           HN1      NH2  34  10.789   5.535  -3.516
  260    HN2  NH2  34           HN2      NH2  34  10.887   5.945  -1.842
  Start of MODEL    6
    1    H1   ASP   1          1HT       ASP   1 -13.278   7.425  -0.741
    2    H2   ASP   1          2HT       ASP   1 -13.695   8.972  -0.160
    3    H3   ASP   1          3HT       ASP   1 -13.187   7.751   0.902
    4    HA   ASP   1           HA       ASP   1 -11.510   8.842  -1.251
    5    HB2  ASP   1           HB3      ASP   1 -11.484   9.430   1.722
    6    HB3  ASP   1           HB2      ASP   1 -10.188   9.857   0.617
    7    H    CYS   2           H        CYS   2  -9.343   8.099  -1.098
    8    HA   CYS   2           HA       CYS   2  -9.463   5.363  -0.252
    9    HB2  CYS   2           HB3      CYS   2  -7.242   5.210  -1.358
   10    HB3  CYS   2           HB2      CYS   2  -8.620   5.482  -2.409
   11    H    LEU   3           H        LEU   3  -7.213   4.484   0.487
   12    HA   LEU   3           HA       LEU   3  -7.096   5.500   3.152
   13    HB2  LEU   3           HB3      LEU   3  -5.615   3.217   1.933
   14    HB3  LEU   3           HB2      LEU   3  -5.988   3.513   3.614
   15    HG   LEU   3           HG       LEU   3  -7.956   2.898   1.465
   16   HD11  LEU   3          HD11      LEU   3  -6.610   0.940   2.058
   17   HD12  LEU   3          HD12      LEU   3  -8.223   0.745   2.758
   18   HD13  LEU   3          HD13      LEU   3  -6.874   1.243   3.773
   19   HD21  LEU   3          HD21      LEU   3  -9.576   2.666   3.317
   20   HD22  LEU   3          HD22      LEU   3  -8.956   4.308   3.153
   21   HD23  LEU   3          HD23      LEU   3  -8.349   3.258   4.437
   22    H    GLY   4           H        GLY   4  -5.221   5.993   4.251
   23    HA2  GLY   4          2HA       GLY   4  -3.035   7.054   2.727
   24    HA3  GLY   4          1HA       GLY   4  -3.252   7.097   4.484
   25    H    TRP   5           H        TRP   5  -0.762   6.200   3.487
   26    HA   TRP   5           HA       TRP   5  -1.050   3.460   3.233
   27    HB2  TRP   5           HB3      TRP   5   1.124   3.452   2.593
   28    HB3  TRP   5           HB2      TRP   5   0.441   4.878   1.884
   29    HD1  TRP   5           HD       TRP   5   3.132   3.672   4.162
   30    HE1  TRP   5          1HE       TRP   5   4.783   5.540   4.636
   31    HE3  TRP   5          3HE       TRP   5   0.419   7.497   2.296
   32    HZ2  TRP   5          2HZ       TRP   5   4.883   8.384   4.317
   33    HZ3  TRP   5          3HZ       TRP   5   1.333   9.796   2.420
   34    HH2  TRP   5           HH       TRP   5   3.528  10.219   3.416
   35    H    PHE   6           H        PHE   6   1.033   2.399   4.398
   36    HA   PHE   6           HA       PHE   6   1.656   1.253   6.124
   37    HB2  PHE   6           HB3      PHE   6   0.809   3.650   7.700
   38    HB3  PHE   6           HB2      PHE   6   1.191   2.138   8.520
   39    HD1  PHE   6          1HD       PHE   6   3.443   1.052   7.976
   40    HD2  PHE   6          2HD       PHE   6   2.523   5.113   7.139
   41    HE1  PHE   6          1HE       PHE   6   5.839   1.558   7.876
   42    HE2  PHE   6          2HE       PHE   6   4.910   5.631   7.031
   43    HZ   PHE   6           HZ       PHE   6   6.585   3.854   7.398
   44    H    LYS   7           H        LYS   7  -1.416   1.580   5.293
   45    HA   LYS   7           HA       LYS   7  -2.526  -0.135   7.295
   46    HB2  LYS   7           HB3      LYS   7  -3.620   0.682   4.629
   47    HB3  LYS   7           HB2      LYS   7  -4.511   0.061   5.993
   48    HG2  LYS   7          2HG       LYS   7  -3.083   2.704   5.984
   49    HG3  LYS   7          1HG       LYS   7  -4.794   2.512   5.651
   50    HD2  LYS   7          2HD       LYS   7  -3.379   1.759   8.221
   51    HD3  LYS   7          1HD       LYS   7  -4.340   3.213   7.980
   52    HE2  LYS   7          2HE       LYS   7  -6.318   1.787   7.535
   53    HE3  LYS   7          1HE       LYS   7  -5.337   0.361   7.868
   54    HZ1  LYS   7          1HZ       LYS   7  -5.961   2.543   9.764
   55    HZ2  LYS   7          2HZ       LYS   7  -4.932   1.245  10.088
   56    HZ3  LYS   7          3HZ       LYS   7  -6.567   0.960   9.816
   57    H    SER   8           H        SER   8  -3.043  -2.173   6.822
   58    HA   SER   8           HA       SER   8  -1.377  -3.809   5.278
   59    HB2  SER   8           HB3      SER   8  -4.151  -4.494   6.222
   60    HB3  SER   8           HB2      SER   8  -2.716  -5.518   6.119
   61    HG   SER   8           HG       SER   8  -1.980  -4.781   7.907
   62    H    CYS   9           H        CYS   9  -1.693  -4.604   3.115
   63    HA   CYS   9           HA       CYS   9  -4.173  -3.861   1.881
   64    HB2  CYS   9           HB3      CYS   9  -2.892  -2.974  -0.024
   65    HB3  CYS   9           HB2      CYS   9  -2.904  -1.972   1.419
   66    H    ASP  10           H        ASP  10  -4.246  -4.574  -0.316
   67    HA   ASP  10           HA       ASP  10  -2.748  -7.067  -0.893
   68    HB2  ASP  10           HB3      ASP  10  -5.169  -7.485  -0.695
   69    HB3  ASP  10           HB2      ASP  10  -5.473  -6.229  -1.898
   70    HA   PRO  11           HA       PRO  11  -0.994  -4.418  -3.894
   71    HB2  PRO  11           HB3      PRO  11   0.523  -6.317  -5.135
   72    HB3  PRO  11           HB2      PRO  11   1.038  -5.404  -3.702
   73    HG2  PRO  11          2HG       PRO  11   0.200  -8.208  -3.967
   74    HG3  PRO  11          1HG       PRO  11   1.096  -7.420  -2.661
   75    HD2  PRO  11          2HD       PRO  11  -1.615  -8.204  -2.631
   76    HD3  PRO  11          1HD       PRO  11  -0.774  -7.208  -1.431
   77    H    LYS  12           H        LYS  12  -2.952  -7.095  -4.699
   78    HA   LYS  12           HA       LYS  12  -2.741  -6.546  -7.466
   79    HB2  LYS  12           HB3      LYS  12  -4.231  -8.515  -5.782
   80    HB3  LYS  12           HB2      LYS  12  -4.578  -8.310  -7.477
   81    HG2  LYS  12          2HG       LYS  12  -3.124 -10.213  -7.250
   82    HG3  LYS  12          1HG       LYS  12  -2.160  -8.915  -7.939
   83    HD2  LYS  12          2HD       LYS  12  -1.211  -8.447  -5.728
   84    HD3  LYS  12          1HD       LYS  12  -2.187  -9.726  -5.018
   85    HE2  LYS  12          2HE       LYS  12  -0.021 -10.052  -7.098
   86    HE3  LYS  12          1HE       LYS  12   0.093 -10.483  -5.401
   87    HZ1  LYS  12          1HZ       LYS  12  -1.782 -11.741  -7.348
   88    HZ2  LYS  12          2HZ       LYS  12  -1.632 -12.170  -5.736
   89    HZ3  LYS  12          3HZ       LYS  12  -0.365 -12.440  -6.789
   90    H    ASN  13           H        ASN  13  -4.774  -5.858  -4.720
   91    HA   ASN  13           HA       ASN  13  -6.254  -3.896  -6.174
   92    HB2  ASN  13           HB3      ASN  13  -7.273  -5.998  -6.894
   93    HB3  ASN  13           HB2      ASN  13  -7.675  -6.357  -5.233
   94   HD21  ASN  13          HD21      ASN  13  -7.901  -3.158  -6.787
   95   HD22  ASN  13          HD22      ASN  13  -9.604  -3.013  -6.578
   96    H    ASP  14           H        ASP  14  -5.688  -2.554  -4.472
   97    HA   ASP  14           HA       ASP  14  -7.228  -3.106  -2.032
   98    HB2  ASP  14           HB3      ASP  14  -4.674  -3.273  -1.906
   99    HB3  ASP  14           HB2      ASP  14  -4.703  -1.518  -2.029
  100    H    LYS  15           H        LYS  15  -6.938  -0.741  -0.758
  101    HA   LYS  15           HA       LYS  15  -8.572   1.041  -2.420
  102    HB2  LYS  15           HB3      LYS  15  -8.562   0.750   0.596
  103    HB3  LYS  15           HB2      LYS  15  -9.611   1.756  -0.356
  104    HG2  LYS  15          2HG       LYS  15 -10.918  -0.090   0.379
  105    HG3  LYS  15          1HG       LYS  15 -10.604  -0.344  -1.333
  106    HD2  LYS  15          2HD       LYS  15 -10.360  -2.439  -0.111
  107    HD3  LYS  15          1HD       LYS  15  -8.799  -1.929  -0.747
  108    HE2  LYS  15          2HE       LYS  15  -8.269  -0.982   1.511
  109    HE3  LYS  15          1HE       LYS  15  -9.779  -1.674   2.104
  110    HZ1  LYS  15          1HZ       LYS  15  -8.885  -3.875   1.400
  111    HZ2  LYS  15          2HZ       LYS  15  -7.985  -3.133   2.613
  112    HZ3  LYS  15          3HZ       LYS  15  -7.408  -3.129   1.053
  113    H    CYS  16           H        CYS  16  -5.510   0.714  -1.380
  114    HA   CYS  16           HA       CYS  16  -5.064   3.171  -0.052
  115    HB2  CYS  16           HB3      CYS  16  -3.529   1.093  -0.011
  116    HB3  CYS  16           HB2      CYS  16  -3.016   1.582  -1.623
  117    H    CYS  17           H        CYS  17  -4.234   5.095  -0.929
  118    HA   CYS  17           HA       CYS  17  -5.308   5.846  -3.348
  119    HB2  CYS  17           HB3      CYS  17  -3.304   7.146  -1.537
  120    HB3  CYS  17           HB2      CYS  17  -4.014   7.919  -2.942
  121    H    LYS  18           H        LYS  18  -4.026   6.993  -4.948
  122    HA   LYS  18           HA       LYS  18  -2.194   5.207  -6.166
  123    HB2  LYS  18           HB3      LYS  18  -3.986   6.585  -7.328
  124    HB3  LYS  18           HB2      LYS  18  -3.010   8.000  -7.006
  125    HG2  LYS  18          2HG       LYS  18  -2.709   7.255  -9.289
  126    HG3  LYS  18          1HG       LYS  18  -1.209   7.059  -8.385
  127    HD2  LYS  18          2HD       LYS  18  -1.625   5.117  -9.811
  128    HD3  LYS  18          1HD       LYS  18  -1.693   4.668  -8.110
  129    HE2  LYS  18          2HE       LYS  18  -4.138   4.712  -8.190
  130    HE3  LYS  18          1HE       LYS  18  -4.083   5.188  -9.886
  131    HZ1  LYS  18          1HZ       LYS  18  -3.007   3.083 -10.395
  132    HZ2  LYS  18          2HZ       LYS  18  -4.468   2.815  -9.598
  133    HZ3  LYS  18          3HZ       LYS  18  -3.023   2.656  -8.764
  134    H    ASN  19           H        ASN  19  -0.159   5.940  -6.831
  135    HA   ASN  19           HA       ASN  19   1.954   6.735  -6.594
  136    HB2  ASN  19           HB3      ASN  19   0.766   8.873  -4.813
  137    HB3  ASN  19           HB2      ASN  19   2.469   8.771  -5.240
  138   HD21  ASN  19          HD21      ASN  19   1.978   8.024  -8.043
  139   HD22  ASN  19          HD22      ASN  19   1.386   9.467  -8.782
  140    H    TYR  20           H        TYR  20   0.058   6.120  -3.856
  141    HA   TYR  20           HA       TYR  20   2.295   5.176  -2.320
  142    HB2  TYR  20           HB3      TYR  20  -0.647   4.530  -1.932
  143    HB3  TYR  20           HB2      TYR  20   0.664   4.382  -0.794
  144    HD1  TYR  20          1HD       TYR  20  -1.840   5.534  -0.048
  145    HD2  TYR  20          2HD       TYR  20   1.531   7.450  -1.764
  146    HE1  TYR  20          1HE       TYR  20  -2.534   7.638   0.967
  147    HE2  TYR  20          2HE       TYR  20   0.847   9.576  -0.730
  148    HH   TYR  20           HH       TYR  20  -1.470   9.724   1.701
  149    H    THR  21           H        THR  21   2.526   2.841  -2.050
  150    HA   THR  21           HA       THR  21   1.104   1.283  -4.026
  151    HB   THR  21           HB       THR  21   4.089   1.195  -3.716
  152    HG1  THR  21          1HG       THR  21   2.345   2.659  -5.308
  153   HG21  THR  21          1HG2      THR  21   3.994  -0.151  -5.790
  154   HG22  THR  21          2HG2      THR  21   2.232  -0.051  -5.754
  155   HG23  THR  21          3HG2      THR  21   3.093  -0.905  -4.475
  156    H    CYS  22           H        CYS  22   0.979  -0.805  -3.494
  157    HA   CYS  22           HA       CYS  22   1.144  -1.328  -0.674
  158    HB2  CYS  22           HB3      CYS  22  -0.841  -1.940  -1.881
  159    HB3  CYS  22           HB2      CYS  22   0.108  -3.036  -2.909
  160    H    SER  23           H        SER  23   2.496  -2.619   0.242
  161    HA   SER  23           HA       SER  23   4.636  -3.671  -1.418
  162    HB2  SER  23           HB3      SER  23   5.295  -2.145   0.364
  163    HB3  SER  23           HB2      SER  23   4.447  -3.128   1.552
  164    HG   SER  23           HG       SER  23   6.788  -3.442   1.410
  165    H    ARG  24           H        ARG  24   4.856  -5.828  -1.622
  166    HA   ARG  24           HA       ARG  24   2.988  -7.558  -0.187
  167    HB2  ARG  24           HB3      ARG  24   3.863  -7.620  -2.758
  168    HB3  ARG  24           HB2      ARG  24   5.066  -8.667  -2.030
  169    HG2  ARG  24          2HG       ARG  24   2.070  -9.100  -2.006
  170    HG3  ARG  24          1HG       ARG  24   3.225  -9.928  -3.036
  171    HD2  ARG  24          2HD       ARG  24   4.234 -10.953  -1.042
  172    HD3  ARG  24          1HD       ARG  24   3.071 -10.099  -0.024
  173    HE   ARG  24           HE       ARG  24   1.757 -11.577  -2.042
  174   HH11  ARG  24          1HH1      ARG  24   3.378 -12.085   1.046
  175   HH12  ARG  24          2HH1      ARG  24   2.519 -13.494   1.443
  176   HH21  ARG  24          1HH2      ARG  24   0.550 -13.485  -1.505
  177   HH22  ARG  24          2HH2      ARG  24   0.842 -14.315  -0.048
  178    H    ARG  25           H        ARG  25   6.133  -6.351  -0.175
  179    HA   ARG  25           HA       ARG  25   7.503  -8.401   1.206
  180    HB2  ARG  25           HB3      ARG  25   8.454  -6.617  -0.285
  181    HB3  ARG  25           HB2      ARG  25   8.080  -5.451   0.966
  182    HG2  ARG  25          2HG       ARG  25  10.346  -5.910   1.147
  183    HG3  ARG  25          1HG       ARG  25   9.554  -6.782   2.469
  184    HD2  ARG  25          2HD       ARG  25  10.311  -8.062  -0.168
  185    HD3  ARG  25          1HD       ARG  25  11.362  -8.077   1.241
  186    HE   ARG  25           HE       ARG  25   9.668  -9.366   2.387
  187   HH11  ARG  25          1HH1      ARG  25   9.242  -9.246  -1.193
  188   HH12  ARG  25          2HH1      ARG  25   8.507 -10.768  -1.236
  189   HH21  ARG  25          1HH2      ARG  25   8.659 -11.429   2.219
  190   HH22  ARG  25          2HH2      ARG  25   8.154 -12.042   0.705
  191    H    ASP  26           H        ASP  26   6.204  -5.223   2.070
  192    HA   ASP  26           HA       ASP  26   6.558  -5.664   4.934
  193    HB2  ASP  26           HB3      ASP  26   5.284  -3.348   3.453
  194    HB3  ASP  26           HB2      ASP  26   5.592  -3.399   5.177
  195    H    ARG  27           H        ARG  27   4.085  -5.838   2.533
  196    HA   ARG  27           HA       ARG  27   2.092  -6.539   2.420
  197    HB2  ARG  27           HB3      ARG  27   2.280  -7.217   5.345
  198    HB3  ARG  27           HB2      ARG  27   0.917  -7.573   4.272
  199    HG2  ARG  27          2HG       ARG  27   2.258  -9.018   2.937
  200    HG3  ARG  27          1HG       ARG  27   3.715  -8.559   3.823
  201    HD2  ARG  27          2HD       ARG  27   2.810  -9.517   5.841
  202    HD3  ARG  27          1HD       ARG  27   1.322  -9.959   5.001
  203    HE   ARG  27           HE       ARG  27   3.348 -11.085   3.577
  204   HH11  ARG  27          1HH1      ARG  27   2.187 -11.342   6.926
  205   HH12  ARG  27          2HH1      ARG  27   2.735 -12.943   7.119
  206   HH21  ARG  27          1HH2      ARG  27   4.092 -13.275   3.863
  207   HH22  ARG  27          2HH2      ARG  27   3.812 -14.076   5.333
  208    H    TRP  28           H        TRP  28   2.973  -3.875   3.861
  209    HA   TRP  28           HA       TRP  28   0.220  -2.956   3.919
  210    HB2  TRP  28           HB3      TRP  28   0.882  -1.113   5.461
  211    HB3  TRP  28           HB2      TRP  28   1.060  -2.698   6.180
  212    HD1  TRP  28           HD       TRP  28   3.374  -0.104   4.422
  213    HE1  TRP  28          1HE       TRP  28   5.637  -0.101   5.692
  214    HE3  TRP  28          3HE       TRP  28   2.398  -3.730   7.859
  215    HZ2  TRP  28          2HZ       TRP  28   6.813  -1.436   7.852
  216    HZ3  TRP  28          3HZ       TRP  28   4.144  -4.302   9.505
  217    HH2  TRP  28           HH       TRP  28   6.295  -3.174   9.492
  218    H    CYS  29           H        CYS  29  -0.004  -0.649   3.321
  219    HA   CYS  29           HA       CYS  29   1.319  -0.311   0.838
  220    HB2  CYS  29           HB3      CYS  29  -1.124   0.085   1.147
  221    HB3  CYS  29           HB2      CYS  29  -0.727   1.441   2.199
  222    H    LYS  30           H        LYS  30   2.721   1.331   0.317
  223    HA   LYS  30           HA       LYS  30   3.540   3.138   2.457
  224    HB2  LYS  30           HB3      LYS  30   5.462   1.677   0.674
  225    HB3  LYS  30           HB2      LYS  30   5.831   2.835   1.924
  226    HG2  LYS  30          2HG       LYS  30   4.950   1.290   3.619
  227    HG3  LYS  30          1HG       LYS  30   4.649   0.104   2.350
  228    HD2  LYS  30          2HD       LYS  30   7.328   1.221   3.174
  229    HD3  LYS  30          1HD       LYS  30   6.710  -0.396   3.510
  230    HE2  LYS  30          2HE       LYS  30   6.632  -0.799   1.059
  231    HE3  LYS  30          1HE       LYS  30   7.404   0.770   0.822
  232    HZ1  LYS  30          1HZ       LYS  30   8.506  -1.534   2.301
  233    HZ2  LYS  30          2HZ       LYS  30   9.281  -0.031   2.165
  234    HZ3  LYS  30          3HZ       LYS  30   9.040  -0.979   0.804
  235    H    TYR  31           H        TYR  31   4.613   5.017   1.675
  236    HA   TYR  31           HA       TYR  31   3.705   5.809  -0.918
  237    HB2  TYR  31           HB3      TYR  31   3.863   7.366   1.067
  238    HB3  TYR  31           HB2      TYR  31   5.609   7.216   0.983
  239    HD1  TYR  31          1HD       TYR  31   5.951   9.577   0.733
  240    HD2  TYR  31          2HD       TYR  31   3.536   7.479  -2.074
  241    HE1  TYR  31          1HE       TYR  31   6.018  11.504  -0.768
  242    HE2  TYR  31          2HE       TYR  31   3.602   9.402  -3.572
  243    HH   TYR  31           HH       TYR  31   5.723  12.042  -3.068
  244    H    ASP  32           H        ASP  32   4.757   5.158  -2.670
  245    HA   ASP  32           HA       ASP  32   7.224   3.744  -2.450
  246    HB2  ASP  32           HB3      ASP  32   5.400   3.114  -4.024
  247    HB3  ASP  32           HB2      ASP  32   5.763   4.565  -4.950
  248    H    LEU  33           H        LEU  33   6.432   6.939  -3.170
  249    HA   LEU  33           HA       LEU  33   8.939   7.536  -4.486
  250    HB2  LEU  33           HB3      LEU  33   6.647   9.335  -3.682
  251    HB3  LEU  33           HB2      LEU  33   8.114   9.923  -4.422
  252    HG   LEU  33           HG       LEU  33   6.436   9.858  -6.081
  253   HD11  LEU  33          HD11      LEU  33   8.608   9.227  -6.854
  254   HD12  LEU  33          HD12      LEU  33   7.359   8.377  -7.760
  255   HD13  LEU  33          HD13      LEU  33   8.273   7.527  -6.516
  256   HD21  LEU  33          HD21      LEU  33   5.966   6.956  -5.396
  257   HD22  LEU  33          HD22      LEU  33   5.214   7.820  -6.735
  258   HD23  LEU  33          HD23      LEU  33   4.864   8.293  -5.075
  259    HN1  NH2  34           HN1      NH2  34   7.395   9.200  -1.786
  260    HN2  NH2  34           HN2      NH2  34   8.814   9.305  -0.815
  Start of MODEL    7
    1    H1   ASP   1          1HT       ASP   1 -13.439   5.682   1.390
    2    H2   ASP   1          2HT       ASP   1 -13.425   5.928  -0.259
    3    H3   ASP   1          3HT       ASP   1 -14.165   7.072   0.746
    4    HA   ASP   1           HA       ASP   1 -11.996   7.836  -0.028
    5    HB2  ASP   1           HB3      ASP   1 -11.958   7.002   2.887
    6    HB3  ASP   1           HB2      ASP   1 -10.909   8.211   2.161
    7    H    CYS   2           H        CYS   2  -9.678   7.429  -0.079
    8    HA   CYS   2           HA       CYS   2  -9.203   4.585   0.001
    9    HB2  CYS   2           HB3      CYS   2  -7.043   5.134  -1.005
   10    HB3  CYS   2           HB2      CYS   2  -8.433   5.407  -2.039
   11    H    LEU   3           H        LEU   3  -6.928   4.014   0.666
   12    HA   LEU   3           HA       LEU   3  -6.814   4.785   3.446
   13    HB2  LEU   3           HB3      LEU   3  -5.341   2.618   2.023
   14    HB3  LEU   3           HB2      LEU   3  -5.779   2.744   3.711
   15    HG   LEU   3           HG       LEU   3  -7.712   2.398   1.472
   16   HD11  LEU   3          HD11      LEU   3  -6.311   0.396   1.731
   17   HD12  LEU   3          HD12      LEU   3  -7.931   0.048   2.345
   18   HD13  LEU   3          HD13      LEU   3  -6.612   0.382   3.468
   19   HD21  LEU   3          HD21      LEU   3  -8.081   2.261   4.470
   20   HD22  LEU   3          HD22      LEU   3  -9.310   1.798   3.295
   21   HD23  LEU   3          HD23      LEU   3  -8.746   3.468   3.367
   22    H    GLY   4           H        GLY   4  -4.923   5.525   4.375
   23    HA2  GLY   4          2HA       GLY   4  -2.823   6.502   2.676
   24    HA3  GLY   4          1HA       GLY   4  -2.909   6.627   4.441
   25    H    TRP   5           H        TRP   5  -0.452   5.836   3.841
   26    HA   TRP   5           HA       TRP   5  -0.541   3.122   3.343
   27    HB2  TRP   5           HB3      TRP   5   1.597   3.312   2.810
   28    HB3  TRP   5           HB2      TRP   5   1.044   4.907   2.475
   29    HD1  TRP   5           HD       TRP   5   3.653   3.057   4.166
   30    HE1  TRP   5          1HE       TRP   5   5.247   4.547   5.337
   31    HE3  TRP   5          3HE       TRP   5   0.771   7.276   4.170
   32    HZ2  TRP   5          2HZ       TRP   5   5.266   7.290   6.322
   33    HZ3  TRP   5          3HZ       TRP   5   1.641   9.270   5.276
   34    HH2  TRP   5           HH       TRP   5   3.842   9.283   6.330
   35    H    PHE   6           H        PHE   6   1.197   1.908   4.760
   36    HA   PHE   6           HA       PHE   6   1.534   0.711   6.587
   37    HB2  PHE   6           HB3      PHE   6   0.612   3.180   8.002
   38    HB3  PHE   6           HB2      PHE   6   0.745   1.659   8.874
   39    HD1  PHE   6          1HD       PHE   6   2.470   4.536   7.666
   40    HD2  PHE   6          2HD       PHE   6   2.998   0.496   8.872
   41    HE1  PHE   6          1HE       PHE   6   4.847   4.971   8.070
   42    HE2  PHE   6          2HE       PHE   6   5.377   0.911   9.273
   43    HZ   PHE   6           HZ       PHE   6   6.317   3.162   8.877
   44    H    LYS   7           H        LYS   7  -1.485   1.404   5.434
   45    HA   LYS   7           HA       LYS   7  -2.882  -0.290   7.253
   46    HB2  LYS   7           HB3      LYS   7  -3.725   0.663   4.534
   47    HB3  LYS   7           HB2      LYS   7  -4.737   0.133   5.853
   48    HG2  LYS   7          2HG       LYS   7  -3.112   2.653   5.878
   49    HG3  LYS   7          1HG       LYS   7  -4.811   2.580   5.467
   50    HD2  LYS   7          2HD       LYS   7  -5.226   1.652   7.761
   51    HD3  LYS   7          1HD       LYS   7  -3.519   1.934   8.120
   52    HE2  LYS   7          2HE       LYS   7  -3.868   4.340   7.507
   53    HE3  LYS   7          1HE       LYS   7  -5.584   3.992   7.359
   54    HZ1  LYS   7          1HZ       LYS   7  -5.084   4.936   9.507
   55    HZ2  LYS   7          2HZ       LYS   7  -3.943   3.757   9.803
   56    HZ3  LYS   7          3HZ       LYS   7  -5.570   3.332   9.732
   57    H    SER   8           H        SER   8  -3.520  -2.289   6.628
   58    HA   SER   8           HA       SER   8  -1.776  -3.822   5.077
   59    HB2  SER   8           HB3      SER   8  -4.482  -4.431   6.245
   60    HB3  SER   8           HB2      SER   8  -3.316  -5.609   5.643
   61    HG   SER   8           HG       SER   8  -2.023  -5.249   7.282
   62    H    CYS   9           H        CYS   9  -2.160  -4.845   3.074
   63    HA   CYS   9           HA       CYS   9  -4.445  -4.015   1.573
   64    HB2  CYS   9           HB3      CYS   9  -2.911  -3.283  -0.227
   65    HB3  CYS   9           HB2      CYS   9  -2.953  -2.214   1.172
   66    H    ASP  10           H        ASP  10  -3.930  -4.813  -0.742
   67    HA   ASP  10           HA       ASP  10  -2.502  -7.358  -0.801
   68    HB2  ASP  10           HB3      ASP  10  -5.004  -7.720  -0.564
   69    HB3  ASP  10           HB2      ASP  10  -5.189  -6.792  -2.051
   70    HA   PRO  11           HA       PRO  11  -0.909  -5.021  -4.222
   71    HB2  PRO  11           HB3      PRO  11   0.128  -7.013  -5.758
   72    HB3  PRO  11           HB2      PRO  11   0.920  -6.406  -4.293
   73    HG2  PRO  11          2HG       PRO  11  -0.793  -8.834  -4.656
   74    HG3  PRO  11          1HG       PRO  11   0.719  -8.660  -3.745
   75    HD2  PRO  11          2HD       PRO  11  -1.686  -8.651  -2.535
   76    HD3  PRO  11          1HD       PRO  11  -0.339  -7.653  -1.941
   77    H    LYS  12           H        LYS  12  -3.215  -7.676  -4.818
   78    HA   LYS  12           HA       LYS  12  -3.753  -6.623  -7.422
   79    HB2  LYS  12           HB3      LYS  12  -4.479  -9.057  -5.878
   80    HB3  LYS  12           HB2      LYS  12  -5.191  -8.660  -7.430
   81    HG2  LYS  12          2HG       LYS  12  -2.949  -8.729  -8.447
   82    HG3  LYS  12          1HG       LYS  12  -2.248  -9.064  -6.865
   83    HD2  LYS  12          2HD       LYS  12  -3.499 -11.140  -6.759
   84    HD3  LYS  12          1HD       LYS  12  -4.181 -10.830  -8.361
   85    HE2  LYS  12          2HE       LYS  12  -1.885 -10.795  -9.287
   86    HE3  LYS  12          1HE       LYS  12  -1.256 -11.201  -7.691
   87    HZ1  LYS  12          1HZ       LYS  12  -2.538 -13.280  -7.809
   88    HZ2  LYS  12          2HZ       LYS  12  -1.415 -13.158  -9.044
   89    HZ3  LYS  12          3HZ       LYS  12  -3.046 -12.867  -9.362
   90    H    ASN  13           H        ASN  13  -4.759  -6.352  -4.256
   91    HA   ASN  13           HA       ASN  13  -7.243  -5.037  -5.070
   92    HB2  ASN  13           HB3      ASN  13  -7.865  -7.243  -4.094
   93    HB3  ASN  13           HB2      ASN  13  -7.016  -6.850  -2.620
   94   HD21  ASN  13          HD21      ASN  13  -9.780  -7.567  -2.981
   95   HD22  ASN  13          HD22      ASN  13 -10.708  -6.271  -2.325
   96    H    ASP  14           H        ASP  14  -5.965  -3.269  -5.030
   97    HA   ASP  14           HA       ASP  14  -4.871  -2.313  -2.466
   98    HB2  ASP  14           HB3      ASP  14  -3.431  -2.295  -4.388
   99    HB3  ASP  14           HB2      ASP  14  -4.591  -1.271  -5.264
  100    H    LYS  15           H        LYS  15  -5.825  -0.819  -1.464
  101    HA   LYS  15           HA       LYS  15  -7.918   0.791  -2.756
  102    HB2  LYS  15           HB3      LYS  15  -7.920  -0.304   0.045
  103    HB3  LYS  15           HB2      LYS  15  -9.096   0.804  -0.622
  104    HG2  LYS  15          2HG       LYS  15  -8.617  -2.064  -1.431
  105    HG3  LYS  15          1HG       LYS  15 -10.027  -1.407  -0.598
  106    HD2  LYS  15          2HD       LYS  15 -10.499  -0.030  -2.629
  107    HD3  LYS  15          1HD       LYS  15  -9.151  -0.844  -3.421
  108    HE2  LYS  15          2HE       LYS  15 -11.171  -1.925  -4.101
  109    HE3  LYS  15          1HE       LYS  15 -10.286  -3.008  -3.032
  110    HZ1  LYS  15          1HZ       LYS  15 -11.769  -2.344  -1.215
  111    HZ2  LYS  15          2HZ       LYS  15 -12.631  -2.970  -2.518
  112    HZ3  LYS  15          3HZ       LYS  15 -12.577  -1.302  -2.269
  113    H    CYS  16           H        CYS  16  -4.988   1.181  -2.027
  114    HA   CYS  16           HA       CYS  16  -5.181   3.245  -0.019
  115    HB2  CYS  16           HB3      CYS  16  -2.803   2.017  -1.438
  116    HB3  CYS  16           HB2      CYS  16  -2.700   3.239  -0.173
  117    H    CYS  17           H        CYS  17  -4.217   5.375  -0.478
  118    HA   CYS  17           HA       CYS  17  -5.253   6.417  -2.816
  119    HB2  CYS  17           HB3      CYS  17  -3.398   7.576  -0.744
  120    HB3  CYS  17           HB2      CYS  17  -4.257   8.489  -1.981
  121    H    LYS  18           H        LYS  18  -3.925   7.841  -4.177
  122    HA   LYS  18           HA       LYS  18  -2.172   6.228  -5.599
  123    HB2  LYS  18           HB3      LYS  18  -3.799   7.891  -6.498
  124    HB3  LYS  18           HB2      LYS  18  -2.703   9.165  -5.997
  125    HG2  LYS  18          2HG       LYS  18  -1.524   7.097  -7.732
  126    HG3  LYS  18          1HG       LYS  18  -2.824   8.027  -8.464
  127    HD2  LYS  18          2HD       LYS  18  -0.362   9.191  -7.169
  128    HD3  LYS  18          1HD       LYS  18  -0.580   8.972  -8.904
  129    HE2  LYS  18          2HE       LYS  18  -2.231  10.764  -7.096
  130    HE3  LYS  18          1HE       LYS  18  -1.034  11.269  -8.278
  131    HZ1  LYS  18          1HZ       LYS  18  -2.450  10.389 -10.045
  132    HZ2  LYS  18          2HZ       LYS  18  -3.269  11.524  -9.133
  133    HZ3  LYS  18          3HZ       LYS  18  -3.605   9.903  -8.918
  134    H    ASN  19           H        ASN  19  -0.147   6.712  -6.203
  135    HA   ASN  19           HA       ASN  19   2.060   7.078  -6.015
  136    HB2  ASN  19           HB3      ASN  19   1.459   9.043  -3.798
  137    HB3  ASN  19           HB2      ASN  19   3.062   8.727  -4.459
  138   HD21  ASN  19          HD21      ASN  19   3.437   9.338  -6.664
  139   HD22  ASN  19          HD22      ASN  19   2.536  10.624  -7.372
  140    H    TYR  20           H        TYR  20   0.249   6.438  -3.231
  141    HA   TYR  20           HA       TYR  20   2.353   4.903  -2.048
  142    HB2  TYR  20           HB3      TYR  20  -0.613   4.863  -1.405
  143    HB3  TYR  20           HB2      TYR  20   0.716   4.222  -0.458
  144    HD1  TYR  20          1HD       TYR  20   2.303   5.744   0.678
  145    HD2  TYR  20          2HD       TYR  20  -1.215   7.174  -1.211
  146    HE1  TYR  20          1HE       TYR  20   2.477   7.828   1.954
  147    HE2  TYR  20          2HE       TYR  20  -1.051   9.266   0.055
  148    HH   TYR  20           HH       TYR  20  -0.051  10.021   2.189
  149    H    THR  21           H        THR  21   2.250   2.647  -1.966
  150    HA   THR  21           HA       THR  21   0.482   1.319  -3.854
  151    HB   THR  21           HB       THR  21   3.476   0.977  -3.893
  152    HG1  THR  21          1HG       THR  21   1.832   2.799  -5.100
  153   HG21  THR  21          1HG2      THR  21   1.346   0.034  -5.831
  154   HG22  THR  21          2HG2      THR  21   2.195  -0.974  -4.663
  155   HG23  THR  21          3HG2      THR  21   3.082  -0.242  -5.999
  156    H    CYS  22           H        CYS  22   0.336  -0.874  -3.354
  157    HA   CYS  22           HA       CYS  22   0.829  -1.527  -0.641
  158    HB2  CYS  22           HB3      CYS  22  -1.135  -2.342  -1.803
  159    HB3  CYS  22           HB2      CYS  22  -0.098  -3.291  -2.895
  160    H    SER  23           H        SER  23   2.388  -2.611   0.148
  161    HA   SER  23           HA       SER  23   4.433  -3.639  -1.669
  162    HB2  SER  23           HB3      SER  23   5.193  -1.858  -0.055
  163    HB3  SER  23           HB2      SER  23   4.681  -2.898   1.272
  164    HG   SER  23           HG       SER  23   6.791  -3.331   1.073
  165    H    ARG  24           H        ARG  24   4.053  -5.737  -1.952
  166    HA   ARG  24           HA       ARG  24   2.480  -7.255  -0.144
  167    HB2  ARG  24           HB3      ARG  24   2.807  -7.580  -2.709
  168    HB3  ARG  24           HB2      ARG  24   4.284  -8.415  -2.288
  169    HG2  ARG  24          2HG       ARG  24   1.542  -9.275  -1.338
  170    HG3  ARG  24          1HG       ARG  24   2.307  -9.882  -2.797
  171    HD2  ARG  24          2HD       ARG  24   4.134 -10.785  -1.455
  172    HD3  ARG  24          1HD       ARG  24   3.370 -10.142   0.006
  173    HE   ARG  24           HE       ARG  24   1.427 -11.650  -0.868
  174   HH11  ARG  24          1HH1      ARG  24   4.891 -12.459  -0.870
  175   HH12  ARG  24          2HH1      ARG  24   4.629 -14.122  -0.619
  176   HH21  ARG  24          1HH2      ARG  24   1.102 -13.958  -0.511
  177   HH22  ARG  24          2HH2      ARG  24   2.449 -14.982  -0.421
  178    H    ARG  25           H        ARG  25   5.766  -6.504  -0.456
  179    HA   ARG  25           HA       ARG  25   7.055  -8.523   0.985
  180    HB2  ARG  25           HB3      ARG  25   8.130  -6.685  -0.344
  181    HB3  ARG  25           HB2      ARG  25   7.713  -5.581   0.957
  182    HG2  ARG  25          2HG       ARG  25   8.969  -7.116   2.486
  183    HG3  ARG  25          1HG       ARG  25   9.579  -7.901   1.023
  184    HD2  ARG  25          2HD       ARG  25  11.212  -6.285   1.707
  185    HD3  ARG  25          1HD       ARG  25  10.400  -5.659   0.271
  186    HE   ARG  25           HE       ARG  25   8.970  -4.564   2.296
  187   HH11  ARG  25          1HH1      ARG  25  12.374  -4.497   1.415
  188   HH12  ARG  25          2HH1      ARG  25  12.743  -3.112   2.328
  189   HH21  ARG  25          1HH2      ARG  25   9.396  -2.754   3.558
  190   HH22  ARG  25          2HH2      ARG  25  10.976  -2.060   3.603
  191    H    ASP  26           H        ASP  26   5.907  -5.330   1.979
  192    HA   ASP  26           HA       ASP  26   6.313  -5.863   4.784
  193    HB2  ASP  26           HB3      ASP  26   5.077  -3.489   3.373
  194    HB3  ASP  26           HB2      ASP  26   5.493  -3.555   5.080
  195    H    ARG  27           H        ARG  27   3.814  -6.065   2.487
  196    HA   ARG  27           HA       ARG  27   1.801  -6.814   2.419
  197    HB2  ARG  27           HB3      ARG  27   2.062  -7.408   5.368
  198    HB3  ARG  27           HB2      ARG  27   0.772  -7.931   4.270
  199    HG2  ARG  27          2HG       ARG  27   2.230  -9.345   3.066
  200    HG3  ARG  27          1HG       ARG  27   3.652  -8.668   3.866
  201    HD2  ARG  27          2HD       ARG  27   1.456 -10.247   5.192
  202    HD3  ARG  27          1HD       ARG  27   3.071 -10.847   4.795
  203    HE   ARG  27           HE       ARG  27   3.762  -8.835   6.259
  204   HH11  ARG  27          1HH1      ARG  27   1.178 -11.174   6.905
  205   HH12  ARG  27          2HH1      ARG  27   1.155 -10.889   8.589
  206   HH21  ARG  27          1HH2      ARG  27   3.722  -8.467   8.585
  207   HH22  ARG  27          2HH2      ARG  27   2.630  -9.348   9.546
  208    H    TRP  28           H        TRP  28   2.667  -4.090   3.387
  209    HA   TRP  28           HA       TRP  28  -0.031  -3.099   3.678
  210    HB2  TRP  28           HB3      TRP  28   0.563  -1.452   5.394
  211    HB3  TRP  28           HB2      TRP  28   0.862  -3.064   6.000
  212    HD1  TRP  28           HD       TRP  28   2.955  -0.169   4.433
  213    HE1  TRP  28          1HE       TRP  28   5.207  -0.053   5.671
  214    HE3  TRP  28          3HE       TRP  28   2.353  -4.134   7.594
  215    HZ2  TRP  28          2HZ       TRP  28   6.544  -1.442   7.722
  216    HZ3  TRP  28          3HZ       TRP  28   4.165  -4.663   9.171
  217    HH2  TRP  28           HH       TRP  28   6.211  -3.345   9.229
  218    H    CYS  29           H        CYS  29  -0.193  -0.787   3.082
  219    HA   CYS  29           HA       CYS  29   1.253  -0.329   0.733
  220    HB2  CYS  29           HB3      CYS  29  -0.784   1.145   2.321
  221    HB3  CYS  29           HB2      CYS  29  -0.065   1.832   0.871
  222    H    LYS  30           H        LYS  30   2.774   1.151   0.317
  223    HA   LYS  30           HA       LYS  30   3.667   2.966   2.422
  224    HB2  LYS  30           HB3      LYS  30   5.501   1.334   0.673
  225    HB3  LYS  30           HB2      LYS  30   5.946   2.590   1.776
  226    HG2  LYS  30          2HG       LYS  30   5.361   1.272   3.672
  227    HG3  LYS  30          1HG       LYS  30   4.645   0.030   2.644
  228    HD2  LYS  30          2HD       LYS  30   6.905  -0.588   3.464
  229    HD3  LYS  30          1HD       LYS  30   6.802  -0.520   1.706
  230    HE2  LYS  30          2HE       LYS  30   8.870   0.492   2.479
  231    HE3  LYS  30          1HE       LYS  30   7.843   1.712   1.744
  232    HZ1  LYS  30          1HZ       LYS  30   8.812   2.550   3.751
  233    HZ2  LYS  30          2HZ       LYS  30   8.257   1.258   4.650
  234    HZ3  LYS  30          3HZ       LYS  30   7.163   2.378   4.019
  235    H    TYR  31           H        TYR  31   5.074   4.665   1.474
  236    HA   TYR  31           HA       TYR  31   3.821   5.624  -0.922
  237    HB2  TYR  31           HB3      TYR  31   4.531   7.182   0.913
  238    HB3  TYR  31           HB2      TYR  31   6.205   6.733   0.605
  239    HD1  TYR  31          1HD       TYR  31   3.282   8.529  -0.730
  240    HD2  TYR  31          2HD       TYR  31   7.399   7.628  -1.296
  241    HE1  TYR  31          1HE       TYR  31   3.424  10.285  -2.429
  242    HE2  TYR  31          2HE       TYR  31   7.558   9.378  -2.994
  243    HH   TYR  31           HH       TYR  31   5.068  11.700  -3.521
  244    H    ASP  32           H        ASP  32   4.548   5.151  -2.889
  245    HA   ASP  32           HA       ASP  32   7.267   4.095  -3.026
  246    HB2  ASP  32           HB3      ASP  32   5.701   2.221  -3.159
  247    HB3  ASP  32           HB2      ASP  32   4.887   2.985  -4.516
  248    H    LEU  33           H        LEU  33   4.994   4.571  -5.563
  249    HA   LEU  33           HA       LEU  33   6.609   6.787  -6.588
  250    HB2  LEU  33           HB3      LEU  33   5.854   4.358  -8.243
  251    HB3  LEU  33           HB2      LEU  33   6.581   5.817  -8.871
  252    HG   LEU  33           HG       LEU  33   7.913   3.931  -6.919
  253   HD11  LEU  33          HD11      LEU  33   9.295   3.268  -8.816
  254   HD12  LEU  33          HD12      LEU  33   8.327   4.290  -9.878
  255   HD13  LEU  33          HD13      LEU  33   7.593   2.892  -9.091
  256   HD21  LEU  33          HD21      LEU  33   8.730   6.222  -6.714
  257   HD22  LEU  33          HD22      LEU  33   8.993   6.297  -8.455
  258   HD23  LEU  33          HD23      LEU  33   9.944   5.189  -7.467
  259    HN1  NH2  34           HN1      NH2  34   4.062   4.851  -8.043
  260    HN2  NH2  34           HN2      NH2  34   2.888   6.115  -8.102
  Start of MODEL    8
    1    H1   ASP   1          1HT       ASP   1 -13.659   5.899   0.721
    2    H2   ASP   1          2HT       ASP   1 -13.510   5.912  -0.936
    3    H3   ASP   1          3HT       ASP   1 -14.185   7.247  -0.162
    4    HA   ASP   1           HA       ASP   1 -11.944   7.699  -0.839
    5    HB2  ASP   1           HB3      ASP   1 -12.226   7.276   2.143
    6    HB3  ASP   1           HB2      ASP   1 -10.885   8.141   1.413
    7    H    CYS   2           H        CYS   2  -9.640   7.198  -0.483
    8    HA   CYS   2           HA       CYS   2  -9.225   4.333  -0.348
    9    HB2  CYS   2           HB3      CYS   2  -6.912   4.980  -0.984
   10    HB3  CYS   2           HB2      CYS   2  -8.142   5.211  -2.219
   11    H    LEU   3           H        LEU   3  -6.890   3.874   0.611
   12    HA   LEU   3           HA       LEU   3  -7.218   4.458   3.406
   13    HB2  LEU   3           HB3      LEU   3  -5.213   2.721   2.037
   14    HB3  LEU   3           HB2      LEU   3  -5.776   2.654   3.691
   15    HG   LEU   3           HG       LEU   3  -7.445   2.075   1.290
   16   HD11  LEU   3          HD11      LEU   3  -6.085   0.183   3.257
   17   HD12  LEU   3          HD12      LEU   3  -5.686   0.380   1.548
   18   HD13  LEU   3          HD13      LEU   3  -7.230  -0.324   2.014
   19   HD21  LEU   3          HD21      LEU   3  -8.773   2.803   3.190
   20   HD22  LEU   3          HD22      LEU   3  -7.980   1.624   4.236
   21   HD23  LEU   3          HD23      LEU   3  -9.026   1.076   2.928
   22    H    GLY   4           H        GLY   4  -5.732   5.559   4.607
   23    HA2  GLY   4          2HA       GLY   4  -3.624   7.020   3.382
   24    HA3  GLY   4          1HA       GLY   4  -3.946   6.858   5.118
   25    H    TRP   5           H        TRP   5  -1.353   6.350   3.598
   26    HA   TRP   5           HA       TRP   5  -1.226   3.632   3.551
   27    HB2  TRP   5           HB3      TRP   5   0.787   3.899   2.623
   28    HB3  TRP   5           HB2      TRP   5   0.072   5.430   2.264
   29    HD1  TRP   5           HD       TRP   5   2.915   3.850   4.109
   30    HE1  TRP   5          1HE       TRP   5   4.527   5.585   4.866
   31    HE3  TRP   5          3HE       TRP   5   0.013   7.937   3.214
   32    HZ2  TRP   5          2HZ       TRP   5   4.576   8.458   5.148
   33    HZ3  TRP   5          3HZ       TRP   5   0.904  10.148   3.778
   34    HH2  TRP   5           HH       TRP   5   3.142  10.402   4.729
   35    H    PHE   6           H        PHE   6   0.733   2.657   4.610
   36    HA   PHE   6           HA       PHE   6   1.610   1.634   6.358
   37    HB2  PHE   6           HB3      PHE   6   2.115   3.982   7.246
   38    HB3  PHE   6           HB2      PHE   6   0.641   3.857   8.191
   39    HD1  PHE   6          1HD       PHE   6   3.878   2.161   7.591
   40    HD2  PHE   6          2HD       PHE   6   0.734   2.933  10.340
   41    HE1  PHE   6          1HE       PHE   6   5.165   1.050   9.369
   42    HE2  PHE   6          2HE       PHE   6   2.017   1.824  12.120
   43    HZ   PHE   6           HZ       PHE   6   4.234   0.882  11.629
   44    H    LYS   7           H        LYS   7  -1.567   2.185   5.842
   45    HA   LYS   7           HA       LYS   7  -2.562   0.456   7.878
   46    HB2  LYS   7           HB3      LYS   7  -3.850   1.675   5.423
   47    HB3  LYS   7           HB2      LYS   7  -4.669   0.814   6.722
   48    HG2  LYS   7          2HG       LYS   7  -3.099   3.280   7.197
   49    HG3  LYS   7          1HG       LYS   7  -4.788   3.319   6.716
   50    HD2  LYS   7          2HD       LYS   7  -5.329   1.933   8.691
   51    HD3  LYS   7          1HD       LYS   7  -3.624   1.966   9.152
   52    HE2  LYS   7          2HE       LYS   7  -4.859   3.626  10.395
   53    HE3  LYS   7          1HE       LYS   7  -3.705   4.366   9.269
   54    HZ1  LYS   7          1HZ       LYS   7  -6.607   4.080   8.751
   55    HZ2  LYS   7          2HZ       LYS   7  -5.498   4.896   7.775
   56    HZ3  LYS   7          3HZ       LYS   7  -5.872   5.490   9.288
   57    H    SER   8           H        SER   8  -3.605  -1.420   7.224
   58    HA   SER   8           HA       SER   8  -2.043  -3.034   5.503
   59    HB2  SER   8           HB3      SER   8  -4.473  -3.550   7.182
   60    HB3  SER   8           HB2      SER   8  -3.440  -4.780   6.460
   61    HG   SER   8           HG       SER   8  -2.066  -2.898   7.909
   62    H    CYS   9           H        CYS   9  -2.853  -4.173   3.650
   63    HA   CYS   9           HA       CYS   9  -5.469  -3.683   2.684
   64    HB2  CYS   9           HB3      CYS   9  -4.535  -2.918   0.522
   65    HB3  CYS   9           HB2      CYS   9  -4.474  -1.711   1.796
   66    H    ASP  10           H        ASP  10  -5.330  -4.629   0.274
   67    HA   ASP  10           HA       ASP  10  -4.077  -7.275   0.536
   68    HB2  ASP  10           HB3      ASP  10  -6.521  -7.194  -0.032
   69    HB3  ASP  10           HB2      ASP  10  -6.116  -6.315  -1.503
   70    HA   PRO  11           HA       PRO  11  -0.958  -5.579  -2.038
   71    HB2  PRO  11           HB3      PRO  11   0.318  -7.858  -2.790
   72    HB3  PRO  11           HB2      PRO  11   0.528  -7.095  -1.203
   73    HG2  PRO  11          2HG       PRO  11  -1.109  -9.457  -1.992
   74    HG3  PRO  11          1HG       PRO  11  -0.211  -9.156  -0.496
   75    HD2  PRO  11          2HD       PRO  11  -2.931  -8.883  -0.724
   76    HD3  PRO  11          1HD       PRO  11  -1.948  -7.999   0.452
   77    H    LYS  12           H        LYS  12  -3.190  -7.884  -3.366
   78    HA   LYS  12           HA       LYS  12  -2.262  -7.174  -5.963
   79    HB2  LYS  12           HB3      LYS  12  -2.827  -9.544  -5.244
   80    HB3  LYS  12           HB2      LYS  12  -4.508  -9.047  -5.272
   81    HG2  LYS  12          2HG       LYS  12  -3.857 -10.176  -7.335
   82    HG3  LYS  12          1HG       LYS  12  -4.338  -8.495  -7.632
   83    HD2  LYS  12          2HD       LYS  12  -2.052  -7.813  -7.640
   84    HD3  LYS  12          1HD       LYS  12  -1.525  -9.442  -7.244
   85    HE2  LYS  12          2HE       LYS  12  -2.964  -8.571  -9.763
   86    HE3  LYS  12          1HE       LYS  12  -1.242  -8.930  -9.656
   87    HZ1  LYS  12          1HZ       LYS  12  -3.469 -10.864  -9.266
   88    HZ2  LYS  12          2HZ       LYS  12  -1.845 -11.207  -9.025
   89    HZ3  LYS  12          3HZ       LYS  12  -2.382 -10.796 -10.560
   90    H    ASN  13           H        ASN  13  -4.650  -6.454  -3.668
   91    HA   ASN  13           HA       ASN  13  -6.095  -4.919  -5.706
   92    HB2  ASN  13           HB3      ASN  13  -7.496  -6.817  -4.826
   93    HB3  ASN  13           HB2      ASN  13  -7.414  -6.080  -3.231
   94   HD21  ASN  13          HD21      ASN  13  -9.619  -5.802  -3.150
   95   HD22  ASN  13          HD22      ASN  13 -10.481  -4.643  -4.086
   96    H    ASP  14           H        ASP  14  -4.531  -3.466  -5.245
   97    HA   ASP  14           HA       ASP  14  -4.062  -2.163  -2.821
   98    HB2  ASP  14           HB3      ASP  14  -2.508  -1.912  -4.561
   99    HB3  ASP  14           HB2      ASP  14  -3.749  -1.255  -5.648
  100    H    LYS  15           H        LYS  15  -4.934  -0.645  -1.820
  101    HA   LYS  15           HA       LYS  15  -7.193   0.854  -2.906
  102    HB2  LYS  15           HB3      LYS  15  -7.062  -0.663  -0.335
  103    HB3  LYS  15           HB2      LYS  15  -8.171   0.672  -0.574
  104    HG2  LYS  15          2HG       LYS  15  -9.162  -0.539  -2.478
  105    HG3  LYS  15          1HG       LYS  15  -8.063  -1.887  -2.164
  106    HD2  LYS  15          2HD       LYS  15  -9.052  -2.227   0.015
  107    HD3  LYS  15          1HD       LYS  15 -10.072  -0.801  -0.192
  108    HE2  LYS  15          2HE       LYS  15 -10.170  -3.310  -1.868
  109    HE3  LYS  15          1HE       LYS  15 -11.321  -2.860  -0.609
  110    HZ1  LYS  15          1HZ       LYS  15 -10.846  -1.399  -3.162
  111    HZ2  LYS  15          2HZ       LYS  15 -11.856  -0.872  -1.930
  112    HZ3  LYS  15          3HZ       LYS  15 -12.218  -2.278  -2.747
  113    H    CYS  16           H        CYS  16  -4.221   1.237  -2.085
  114    HA   CYS  16           HA       CYS  16  -4.423   3.174   0.026
  115    HB2  CYS  16           HB3      CYS  16  -2.067   2.627  -1.768
  116    HB3  CYS  16           HB2      CYS  16  -2.063   3.204  -0.105
  117    H    CYS  17           H        CYS  17  -4.048   5.458  -0.395
  118    HA   CYS  17           HA       CYS  17  -5.002   6.365  -2.830
  119    HB2  CYS  17           HB3      CYS  17  -3.379   7.830  -0.780
  120    HB3  CYS  17           HB2      CYS  17  -4.446   8.510  -1.986
  121    H    LYS  18           H        LYS  18  -3.820   7.583  -4.302
  122    HA   LYS  18           HA       LYS  18  -1.817   6.053  -5.396
  123    HB2  LYS  18           HB3      LYS  18  -3.519   7.482  -6.616
  124    HB3  LYS  18           HB2      LYS  18  -2.497   8.858  -6.255
  125    HG2  LYS  18          2HG       LYS  18  -2.174   7.973  -8.544
  126    HG3  LYS  18          1HG       LYS  18  -0.698   7.956  -7.580
  127    HD2  LYS  18          2HD       LYS  18  -0.958   5.876  -8.878
  128    HD3  LYS  18          1HD       LYS  18  -0.980   5.554  -7.155
  129    HE2  LYS  18          2HE       LYS  18  -3.462   5.470  -7.252
  130    HE3  LYS  18          1HE       LYS  18  -3.374   5.692  -8.997
  131    HZ1  LYS  18          1HZ       LYS  18  -2.188   3.431  -7.481
  132    HZ2  LYS  18          2HZ       LYS  18  -2.150   3.600  -9.153
  133    HZ3  LYS  18          3HZ       LYS  18  -3.617   3.365  -8.353
  134    H    ASN  19           H        ASN  19   0.169   6.737  -6.121
  135    HA   ASN  19           HA       ASN  19   2.354   7.285  -5.875
  136    HB2  ASN  19           HB3      ASN  19   1.461   9.131  -3.633
  137    HB3  ASN  19           HB2      ASN  19   3.144   8.882  -4.091
  138   HD21  ASN  19          HD21      ASN  19   0.110  10.296  -4.977
  139   HD22  ASN  19          HD22      ASN  19   0.709  11.304  -6.237
  140    H    TYR  20           H        TYR  20   0.438   6.603  -3.188
  141    HA   TYR  20           HA       TYR  20   2.462   4.867  -2.070
  142    HB2  TYR  20           HB3      TYR  20  -0.303   5.497  -1.041
  143    HB3  TYR  20           HB2      TYR  20   1.049   4.800  -0.170
  144    HD1  TYR  20          1HD       TYR  20  -0.478   7.878  -1.306
  145    HD2  TYR  20          2HD       TYR  20   2.993   6.238   0.495
  146    HE1  TYR  20          1HE       TYR  20   0.210  10.120  -0.618
  147    HE2  TYR  20          2HE       TYR  20   3.693   8.483   1.199
  148    HH   TYR  20           HH       TYR  20   1.600  11.105   1.136
  149    H    THR  21           H        THR  21   1.912   2.668  -1.813
  150    HA   THR  21           HA       THR  21  -0.457   1.551  -3.037
  151    HB   THR  21           HB       THR  21   2.292   0.841  -4.124
  152    HG1  THR  21          1HG       THR  21   0.608   2.849  -4.793
  153   HG21  THR  21          1HG2      THR  21   0.662  -0.984  -4.303
  154   HG22  THR  21          2HG2      THR  21   1.052  -0.353  -5.904
  155   HG23  THR  21          3HG2      THR  21  -0.467   0.093  -5.127
  156    H    CYS  22           H        CYS  22  -0.560  -0.749  -2.449
  157    HA   CYS  22           HA       CYS  22   0.528  -1.473  -0.005
  158    HB2  CYS  22           HB3      CYS  22  -0.362  -3.240  -2.233
  159    HB3  CYS  22           HB2      CYS  22  -0.189  -3.690  -0.557
  160    H    SER  23           H        SER  23   2.441  -2.049   0.458
  161    HA   SER  23           HA       SER  23   4.550  -2.467  -1.408
  162    HB2  SER  23           HB3      SER  23   5.000  -1.404   0.735
  163    HB3  SER  23           HB2      SER  23   4.371  -2.798   1.600
  164    HG   SER  23           HG       SER  23   6.816  -2.301   0.616
  165    H    ARG  24           H        ARG  24   5.622  -4.442  -1.823
  166    HA   ARG  24           HA       ARG  24   4.035  -6.803  -1.183
  167    HB2  ARG  24           HB3      ARG  24   4.826  -6.450  -3.544
  168    HB3  ARG  24           HB2      ARG  24   6.478  -6.609  -2.971
  169    HG2  ARG  24          2HG       ARG  24   5.682  -8.675  -4.023
  170    HG3  ARG  24          1HG       ARG  24   6.049  -8.923  -2.314
  171    HD2  ARG  24          2HD       ARG  24   3.678  -8.726  -1.767
  172    HD3  ARG  24          1HD       ARG  24   3.298  -8.440  -3.463
  173    HE   ARG  24           HE       ARG  24   4.478 -10.806  -3.609
  174   HH11  ARG  24          1HH1      ARG  24   2.116  -9.674  -1.262
  175   HH12  ARG  24          2HH1      ARG  24   1.337 -11.174  -1.089
  176   HH21  ARG  24          1HH2      ARG  24   3.407 -12.888  -3.391
  177   HH22  ARG  24          2HH2      ARG  24   2.054 -13.029  -2.370
  178    H    ARG  25           H        ARG  25   6.735  -5.078  -0.184
  179    HA   ARG  25           HA       ARG  25   8.173  -7.277   0.959
  180    HB2  ARG  25           HB3      ARG  25   9.294  -5.319  -0.019
  181    HB3  ARG  25           HB2      ARG  25   8.506  -4.287   1.154
  182    HG2  ARG  25          2HG       ARG  25  10.774  -4.691   1.789
  183    HG3  ARG  25          1HG       ARG  25   9.638  -5.423   2.938
  184    HD2  ARG  25          2HD       ARG  25   9.990  -7.608   1.953
  185    HD3  ARG  25          1HD       ARG  25  11.025  -6.914   0.707
  186    HE   ARG  25           HE       ARG  25  11.890  -6.473   3.417
  187   HH11  ARG  25          1HH1      ARG  25  11.990  -8.707   0.702
  188   HH12  ARG  25          2HH1      ARG  25  13.554  -9.300   1.044
  189   HH21  ARG  25          1HH2      ARG  25  13.986  -7.300   3.937
  190   HH22  ARG  25          2HH2      ARG  25  14.707  -8.492   2.948
  191    H    ASP  26           H        ASP  26   6.577  -4.336   2.127
  192    HA   ASP  26           HA       ASP  26   6.457  -5.370   4.845
  193    HB2  ASP  26           HB3      ASP  26   5.539  -2.758   3.642
  194    HB3  ASP  26           HB2      ASP  26   5.298  -3.183   5.331
  195    H    ARG  27           H        ARG  27   4.504  -5.231   2.089
  196    HA   ARG  27           HA       ARG  27   2.573  -5.972   1.536
  197    HB2  ARG  27           HB3      ARG  27   2.519  -7.286   4.238
  198    HB3  ARG  27           HB2      ARG  27   1.318  -7.489   2.960
  199    HG2  ARG  27          2HG       ARG  27   3.014  -8.345   1.457
  200    HG3  ARG  27          1HG       ARG  27   4.230  -8.153   2.723
  201    HD2  ARG  27          2HD       ARG  27   3.085  -9.756   4.112
  202    HD3  ARG  27          1HD       ARG  27   1.777  -9.877   2.934
  203    HE   ARG  27           HE       ARG  27   4.319 -10.462   1.809
  204   HH11  ARG  27          1HH1      ARG  27   1.717 -11.877   3.720
  205   HH12  ARG  27          2HH1      ARG  27   2.026 -13.474   3.216
  206   HH21  ARG  27          1HH2      ARG  27   4.708 -12.559   1.077
  207   HH22  ARG  27          2HH2      ARG  27   3.802 -13.898   1.631
  208    H    TRP  28           H        TRP  28   2.831  -3.487   3.438
  209    HA   TRP  28           HA       TRP  28  -0.062  -2.983   3.230
  210    HB2  TRP  28           HB3      TRP  28   0.044  -1.518   5.203
  211    HB3  TRP  28           HB2      TRP  28   0.386  -3.185   5.611
  212    HD1  TRP  28           HD       TRP  28   2.468   0.038   4.868
  213    HE1  TRP  28          1HE       TRP  28   4.399   0.106   6.609
  214    HE3  TRP  28          3HE       TRP  28   1.567  -4.358   7.317
  215    HZ2  TRP  28          2HZ       TRP  28   5.380  -1.463   8.696
  216    HZ3  TRP  28          3HZ       TRP  28   3.038  -4.987   9.182
  217    HH2  TRP  28           HH       TRP  28   4.903  -3.566   9.851
  218    H    CYS  29           H        CYS  29  -0.537  -0.588   3.297
  219    HA   CYS  29           HA       CYS  29   0.359   0.488   0.941
  220    HB2  CYS  29           HB3      CYS  29  -0.892   1.547   3.402
  221    HB3  CYS  29           HB2      CYS  29  -0.713   2.523   1.929
  222    H    LYS  30           H        LYS  30   2.328   1.458   0.520
  223    HA   LYS  30           HA       LYS  30   3.319   3.454   2.368
  224    HB2  LYS  30           HB3      LYS  30   4.940   1.141   1.399
  225    HB3  LYS  30           HB2      LYS  30   5.675   2.674   1.771
  226    HG2  LYS  30          2HG       LYS  30   4.841   2.419   4.104
  227    HG3  LYS  30          1HG       LYS  30   4.229   0.818   3.656
  228    HD2  LYS  30          2HD       LYS  30   6.446   0.071   3.086
  229    HD3  LYS  30          1HD       LYS  30   7.062   1.708   3.321
  230    HE2  LYS  30          2HE       LYS  30   6.532   1.570   5.694
  231    HE3  LYS  30          1HE       LYS  30   5.904  -0.061   5.458
  232    HZ1  LYS  30          1HZ       LYS  30   8.725   0.771   4.982
  233    HZ2  LYS  30          2HZ       LYS  30   8.097  -0.792   4.790
  234    HZ3  LYS  30          3HZ       LYS  30   8.145  -0.088   6.314
  235    H    TYR  31           H        TYR  31   5.138   4.690   1.296
  236    HA   TYR  31           HA       TYR  31   4.195   5.665  -1.189
  237    HB2  TYR  31           HB3      TYR  31   5.453   7.049   0.483
  238    HB3  TYR  31           HB2      TYR  31   6.897   6.116   0.124
  239    HD1  TYR  31          1HD       TYR  31   8.192   6.564  -1.856
  240    HD2  TYR  31          2HD       TYR  31   4.500   8.579  -1.221
  241    HE1  TYR  31          1HE       TYR  31   8.730   8.107  -3.676
  242    HE2  TYR  31          2HE       TYR  31   5.031  10.132  -3.043
  243    HH   TYR  31           HH       TYR  31   7.102  10.978  -4.219
  244    H    ASP  32           H        ASP  32   4.452   4.747  -3.055
  245    HA   ASP  32           HA       ASP  32   6.673   2.852  -3.383
  246    HB2  ASP  32           HB3      ASP  32   4.415   1.807  -3.390
  247    HB3  ASP  32           HB2      ASP  32   4.004   2.789  -4.792
  248    H    LEU  33           H        LEU  33   4.508   4.619  -5.423
  249    HA   LEU  33           HA       LEU  33   6.824   5.722  -6.873
  250    HB2  LEU  33           HB3      LEU  33   4.328   4.599  -8.153
  251    HB3  LEU  33           HB2      LEU  33   5.594   5.450  -9.003
  252    HG   LEU  33           HG       LEU  33   5.901   2.788  -7.620
  253   HD11  LEU  33          HD11      LEU  33   5.723   3.479 -10.548
  254   HD12  LEU  33          HD12      LEU  33   4.493   2.654  -9.596
  255   HD13  LEU  33          HD13      LEU  33   6.049   1.878  -9.882
  256   HD21  LEU  33          HD21      LEU  33   7.815   4.364  -9.341
  257   HD22  LEU  33          HD22      LEU  33   8.080   2.720  -8.762
  258   HD23  LEU  33          HD23      LEU  33   7.982   4.051  -7.614
  259    HN1  NH2  34           HN1      NH2  34   6.083   7.376  -5.254
  260    HN2  NH2  34           HN2      NH2  34   4.917   8.529  -5.804
  Start of MODEL    9
    1    H1   ASP   1          1HT       ASP   1 -13.605   5.391   0.800
    2    H2   ASP   1          2HT       ASP   1 -13.345   5.272  -0.827
    3    H3   ASP   1          3HT       ASP   1 -14.166   6.626  -0.239
    4    HA   ASP   1           HA       ASP   1 -11.929   7.200  -0.834
    5    HB2  ASP   1           HB3      ASP   1 -12.204   6.913   2.165
    6    HB3  ASP   1           HB2      ASP   1 -10.948   7.835   1.368
    7    H    CYS   2           H        CYS   2  -9.701   6.806  -0.665
    8    HA   CYS   2           HA       CYS   2  -9.151   4.004  -0.298
    9    HB2  CYS   2           HB3      CYS   2  -6.904   4.651  -1.133
   10    HB3  CYS   2           HB2      CYS   2  -8.229   4.768  -2.282
   11    H    LEU   3           H        LEU   3  -6.755   3.669   0.541
   12    HA   LEU   3           HA       LEU   3  -6.911   4.411   3.329
   13    HB2  LEU   3           HB3      LEU   3  -5.007   2.575   1.954
   14    HB3  LEU   3           HB2      LEU   3  -5.504   2.600   3.629
   15    HG   LEU   3           HG       LEU   3  -7.257   1.892   1.328
   16   HD11  LEU   3          HD11      LEU   3  -5.821   0.138   3.355
   17   HD12  LEU   3          HD12      LEU   3  -5.513   0.204   1.617
   18   HD13  LEU   3          HD13      LEU   3  -7.032  -0.450   2.220
   19   HD21  LEU   3          HD21      LEU   3  -8.529   2.744   3.197
   20   HD22  LEU   3          HD22      LEU   3  -7.685   1.665   4.308
   21   HD23  LEU   3          HD23      LEU   3  -8.765   0.999   3.080
   22    H    GLY   4           H        GLY   4  -5.203   5.423   4.392
   23    HA2  GLY   4          2HA       GLY   4  -3.128   6.676   2.877
   24    HA3  GLY   4          1HA       GLY   4  -3.337   6.691   4.641
   25    H    TRP   5           H        TRP   5  -0.767   6.100   3.613
   26    HA   TRP   5           HA       TRP   5  -0.724   3.353   3.289
   27    HB2  TRP   5           HB3      TRP   5   1.317   3.641   2.463
   28    HB3  TRP   5           HB2      TRP   5   0.651   5.202   2.165
   29    HD1  TRP   5           HD       TRP   5   3.467   3.483   3.856
   30    HE1  TRP   5          1HE       TRP   5   5.094   5.130   4.782
   31    HE3  TRP   5          3HE       TRP   5   0.547   7.651   3.472
   32    HZ2  TRP   5          2HZ       TRP   5   5.136   7.948   5.391
   33    HZ3  TRP   5          3HZ       TRP   5   1.454   9.780   4.279
   34    HH2  TRP   5           HH       TRP   5   3.697   9.921   5.214
   35    H    PHE   6           H        PHE   6   1.244   2.352   4.431
   36    HA   PHE   6           HA       PHE   6   2.062   1.289   6.176
   37    HB2  PHE   6           HB3      PHE   6   2.444   3.577   7.248
   38    HB3  PHE   6           HB2      PHE   6   0.905   3.369   8.072
   39    HD1  PHE   6          1HD       PHE   6   4.359   2.158   7.800
   40    HD2  PHE   6          2HD       PHE   6   0.712   1.887   9.973
   41    HE1  PHE   6          1HE       PHE   6   5.516   0.930   9.585
   42    HE2  PHE   6          2HE       PHE   6   1.867   0.658  11.761
   43    HZ   PHE   6           HZ       PHE   6   4.281   0.178  11.562
   44    H    LYS   7           H        LYS   7  -1.224   1.947   5.799
   45    HA   LYS   7           HA       LYS   7  -2.138   0.034   7.680
   46    HB2  LYS   7           HB3      LYS   7  -3.517   1.164   5.277
   47    HB3  LYS   7           HB2      LYS   7  -4.265   0.395   6.650
   48    HG2  LYS   7          2HG       LYS   7  -2.730   2.975   6.846
   49    HG3  LYS   7          1HG       LYS   7  -4.474   2.889   6.671
   50    HD2  LYS   7          2HD       LYS   7  -2.893   1.659   8.947
   51    HD3  LYS   7          1HD       LYS   7  -3.708   3.214   9.034
   52    HE2  LYS   7          2HE       LYS   7  -5.022   0.527   8.598
   53    HE3  LYS   7          1HE       LYS   7  -5.059   1.486  10.071
   54    HZ1  LYS   7          1HZ       LYS   7  -7.085   1.776   8.840
   55    HZ2  LYS   7          2HZ       LYS   7  -6.261   2.212   7.463
   56    HZ3  LYS   7          3HZ       LYS   7  -6.245   3.239   8.790
   57    H    SER   8           H        SER   8  -2.765  -1.867   7.202
   58    HA   SER   8           HA       SER   8  -1.249  -3.403   5.338
   59    HB2  SER   8           HB3      SER   8  -2.020  -4.232   7.595
   60    HB3  SER   8           HB2      SER   8  -3.649  -4.337   6.923
   61    HG   SER   8           HG       SER   8  -1.498  -5.994   6.643
   62    H    CYS   9           H        CYS   9  -1.878  -4.500   3.520
   63    HA   CYS   9           HA       CYS   9  -4.431  -4.176   2.355
   64    HB2  CYS   9           HB3      CYS   9  -3.665  -1.903   2.109
   65    HB3  CYS   9           HB2      CYS   9  -2.144  -2.453   1.377
   66    H    ASP  10           H        ASP  10  -3.964  -4.526  -0.064
   67    HA   ASP  10           HA       ASP  10  -2.003  -6.706  -0.446
   68    HB2  ASP  10           HB3      ASP  10  -4.238  -7.707  -0.100
   69    HB3  ASP  10           HB2      ASP  10  -4.859  -6.736  -1.426
   70    HA   PRO  11           HA       PRO  11  -0.900  -4.095  -3.838
   71    HB2  PRO  11           HB3      PRO  11   0.454  -5.973  -5.324
   72    HB3  PRO  11           HB2      PRO  11   1.132  -5.102  -3.944
   73    HG2  PRO  11          2HG       PRO  11  -0.057  -7.847  -4.040
   74    HG3  PRO  11          1HG       PRO  11   1.396  -7.283  -3.200
   75    HD2  PRO  11          2HD       PRO  11  -0.891  -7.684  -1.905
   76    HD3  PRO  11          1HD       PRO  11   0.184  -6.337  -1.472
   77    H    LYS  12           H        LYS  12  -2.561  -7.208  -4.539
   78    HA   LYS  12           HA       LYS  12  -3.057  -6.394  -7.227
   79    HB2  LYS  12           HB3      LYS  12  -3.576  -8.818  -5.562
   80    HB3  LYS  12           HB2      LYS  12  -4.320  -8.614  -7.124
   81    HG2  LYS  12          2HG       LYS  12  -2.397 -10.031  -7.393
   82    HG3  LYS  12          1HG       LYS  12  -1.992  -8.468  -8.088
   83    HD2  LYS  12          2HD       LYS  12  -0.748  -7.873  -6.099
   84    HD3  LYS  12          1HD       LYS  12  -1.201  -9.390  -5.327
   85    HE2  LYS  12          2HE       LYS  12   0.435  -9.100  -7.841
   86    HE3  LYS  12          1HE       LYS  12   1.079  -9.454  -6.241
   87    HZ1  LYS  12          1HZ       LYS  12  -0.209 -11.530  -6.255
   88    HZ2  LYS  12          2HZ       LYS  12   0.872 -11.466  -7.537
   89    HZ3  LYS  12          3HZ       LYS  12  -0.752 -11.194  -7.816
   90    H    ASN  13           H        ASN  13  -4.408  -6.198  -4.159
   91    HA   ASN  13           HA       ASN  13  -7.050  -5.463  -5.274
   92    HB2  ASN  13           HB3      ASN  13  -7.001  -7.647  -3.939
   93    HB3  ASN  13           HB2      ASN  13  -6.525  -6.696  -2.541
   94   HD21  ASN  13          HD21      ASN  13  -8.323  -7.221  -1.372
   95   HD22  ASN  13          HD22      ASN  13  -9.906  -6.642  -1.736
   96    H    ASP  14           H        ASP  14  -5.028  -3.797  -5.179
   97    HA   ASP  14           HA       ASP  14  -4.352  -2.418  -2.850
   98    HB2  ASP  14           HB3      ASP  14  -3.186  -2.353  -4.966
   99    HB3  ASP  14           HB2      ASP  14  -4.486  -1.332  -5.628
  100    H    LYS  15           H        LYS  15  -5.285  -1.039  -1.755
  101    HA   LYS  15           HA       LYS  15  -7.697   0.342  -2.714
  102    HB2  LYS  15           HB3      LYS  15  -7.135  -0.645   0.073
  103    HB3  LYS  15           HB2      LYS  15  -8.562   0.213  -0.463
  104    HG2  LYS  15          2HG       LYS  15  -7.711  -2.561  -1.273
  105    HG3  LYS  15          1HG       LYS  15  -9.017  -2.161  -0.163
  106    HD2  LYS  15          2HD       LYS  15 -10.212  -1.056  -2.010
  107    HD3  LYS  15          1HD       LYS  15  -8.896  -1.491  -3.104
  108    HE2  LYS  15          2HE       LYS  15  -9.293  -3.880  -2.528
  109    HE3  LYS  15          1HE       LYS  15 -10.706  -3.374  -1.606
  110    HZ1  LYS  15          1HZ       LYS  15 -11.628  -2.450  -3.659
  111    HZ2  LYS  15          2HZ       LYS  15 -11.353  -4.092  -3.798
  112    HZ3  LYS  15          3HZ       LYS  15 -10.294  -3.000  -4.519
  113    H    CYS  16           H        CYS  16  -4.661   0.973  -2.357
  114    HA   CYS  16           HA       CYS  16  -4.793   2.934  -0.223
  115    HB2  CYS  16           HB3      CYS  16  -2.845   1.303  -0.508
  116    HB3  CYS  16           HB2      CYS  16  -2.416   2.226  -1.943
  117    H    CYS  17           H        CYS  17  -3.981   5.132  -0.699
  118    HA   CYS  17           HA       CYS  17  -5.280   6.154  -2.935
  119    HB2  CYS  17           HB3      CYS  17  -3.525   7.351  -0.813
  120    HB3  CYS  17           HB2      CYS  17  -4.359   8.289  -2.047
  121    H    LYS  18           H        LYS  18  -4.029   7.973  -4.096
  122    HA   LYS  18           HA       LYS  18  -2.297   6.826  -5.932
  123    HB2  LYS  18           HB3      LYS  18  -3.895   8.679  -6.290
  124    HB3  LYS  18           HB2      LYS  18  -2.809   9.716  -5.372
  125    HG2  LYS  18          2HG       LYS  18  -1.081   9.468  -6.989
  126    HG3  LYS  18          1HG       LYS  18  -1.996   8.230  -7.850
  127    HD2  LYS  18          2HD       LYS  18  -2.208  10.277  -9.026
  128    HD3  LYS  18          1HD       LYS  18  -3.729   9.819  -8.224
  129    HE2  LYS  18          2HE       LYS  18  -3.356  11.426  -6.463
  130    HE3  LYS  18          1HE       LYS  18  -1.758  11.808  -7.095
  131    HZ1  LYS  18          1HZ       LYS  18  -4.338  12.365  -8.445
  132    HZ2  LYS  18          2HZ       LYS  18  -2.811  12.765  -9.048
  133    HZ3  LYS  18          3HZ       LYS  18  -3.382  13.485  -7.637
  134    H    ASN  19           H        ASN  19  -0.219   7.411  -6.305
  135    HA   ASN  19           HA       ASN  19   1.983   7.942  -5.983
  136    HB2  ASN  19           HB3      ASN  19   1.432  10.155  -5.164
  137    HB3  ASN  19           HB2      ASN  19   0.975   9.513  -3.597
  138   HD21  ASN  19          HD21      ASN  19   2.531   9.235  -2.049
  139   HD22  ASN  19          HD22      ASN  19   4.170   9.695  -2.265
  140    H    TYR  20           H        TYR  20   0.247   6.600  -3.432
  141    HA   TYR  20           HA       TYR  20   2.567   5.149  -2.482
  142    HB2  TYR  20           HB3      TYR  20  -0.240   5.424  -1.414
  143    HB3  TYR  20           HB2      TYR  20   1.072   4.550  -0.644
  144    HD1  TYR  20          1HD       TYR  20  -0.496   7.748  -1.070
  145    HD2  TYR  20          2HD       TYR  20   3.139   5.864   0.066
  146    HE1  TYR  20          1HE       TYR  20   0.231   9.816  -0.004
  147    HE2  TYR  20          2HE       TYR  20   3.880   7.929   1.146
  148    HH   TYR  20           HH       TYR  20   1.772  10.557   1.700
  149    H    THR  21           H        THR  21   1.956   2.761  -1.982
  150    HA   THR  21           HA       THR  21  -0.025   1.600  -3.751
  151    HB   THR  21           HB       THR  21   2.822   0.700  -3.948
  152    HG1  THR  21          1HG       THR  21   1.513   2.803  -5.206
  153   HG21  THR  21          1HG2      THR  21   0.446   0.320  -5.769
  154   HG22  THR  21          2HG2      THR  21   1.092  -0.868  -4.639
  155   HG23  THR  21          3HG2      THR  21   2.052  -0.366  -6.030
  156    H    CYS  22           H        CYS  22  -0.561  -0.477  -2.983
  157    HA   CYS  22           HA       CYS  22   0.295  -1.152  -0.376
  158    HB2  CYS  22           HB3      CYS  22  -1.223  -2.737  -2.381
  159    HB3  CYS  22           HB2      CYS  22  -1.142  -3.049  -0.665
  160    H    SER  23           H        SER  23   1.981  -2.271   0.121
  161    HA   SER  23           HA       SER  23   3.669  -3.311  -1.980
  162    HB2  SER  23           HB3      SER  23   4.699  -1.826  -0.299
  163    HB3  SER  23           HB2      SER  23   4.210  -2.921   0.984
  164    HG   SER  23           HG       SER  23   6.369  -2.981  -0.621
  165    H    ARG  24           H        ARG  24   4.497  -5.409  -1.955
  166    HA   ARG  24           HA       ARG  24   2.720  -7.316  -0.680
  167    HB2  ARG  24           HB3      ARG  24   3.281  -7.627  -3.107
  168    HB3  ARG  24           HB2      ARG  24   4.954  -7.817  -2.656
  169    HG2  ARG  24          2HG       ARG  24   3.898  -9.969  -3.107
  170    HG3  ARG  24          1HG       ARG  24   4.471  -9.846  -1.445
  171    HD2  ARG  24          2HD       ARG  24   2.182  -9.339  -0.698
  172    HD3  ARG  24          1HD       ARG  24   1.613  -9.470  -2.362
  173    HE   ARG  24           HE       ARG  24   2.910 -11.822  -1.794
  174   HH11  ARG  24          1HH1      ARG  24   0.060 -10.126  -0.484
  175   HH12  ARG  24          2HH1      ARG  24  -0.712 -11.543   0.013
  176   HH21  ARG  24          1HH2      ARG  24   1.825 -13.740  -1.151
  177   HH22  ARG  24          2HH2      ARG  24   0.304 -13.680  -0.392
  178    H    ARG  25           H        ARG  25   5.895  -6.088  -0.462
  179    HA   ARG  25           HA       ARG  25   7.067  -8.213   1.008
  180    HB2  ARG  25           HB3      ARG  25   8.305  -6.451  -0.288
  181    HB3  ARG  25           HB2      ARG  25   7.884  -5.315   0.990
  182    HG2  ARG  25          2HG       ARG  25   8.948  -6.950   2.571
  183    HG3  ARG  25          1HG       ARG  25   9.607  -7.734   1.130
  184    HD2  ARG  25          2HD       ARG  25  11.287  -6.231   1.926
  185    HD3  ARG  25          1HD       ARG  25  10.572  -5.499   0.491
  186    HE   ARG  25           HE       ARG  25   9.103  -4.349   2.383
  187   HH11  ARG  25          1HH1      ARG  25  12.604  -4.656   2.093
  188   HH12  ARG  25          2HH1      ARG  25  12.951  -3.408   3.195
  189   HH21  ARG  25          1HH2      ARG  25   9.541  -2.732   3.943
  190   HH22  ARG  25          2HH2      ARG  25  11.159  -2.300   4.314
  191    H    ASP  26           H        ASP  26   6.103  -4.948   1.935
  192    HA   ASP  26           HA       ASP  26   6.356  -5.485   4.736
  193    HB2  ASP  26           HB3      ASP  26   5.179  -3.113   3.270
  194    HB3  ASP  26           HB2      ASP  26   5.531  -3.168   4.992
  195    H    ARG  27           H        ARG  27   3.935  -5.830   2.398
  196    HA   ARG  27           HA       ARG  27   1.874  -6.537   2.333
  197    HB2  ARG  27           HB3      ARG  27   2.144  -7.066   5.294
  198    HB3  ARG  27           HB2      ARG  27   0.876  -7.649   4.210
  199    HG2  ARG  27          2HG       ARG  27   2.432  -9.003   2.992
  200    HG3  ARG  27          1HG       ARG  27   3.789  -8.335   3.902
  201    HD2  ARG  27          2HD       ARG  27   3.217 -10.533   4.750
  202    HD3  ARG  27          1HD       ARG  27   2.856  -9.300   5.958
  203    HE   ARG  27           HE       ARG  27   0.743 -10.272   4.205
  204   HH11  ARG  27          1HH1      ARG  27   2.110 -10.087   7.463
  205   HH12  ARG  27          2HH1      ARG  27   0.692 -10.637   8.224
  206   HH21  ARG  27          1HH2      ARG  27  -1.160 -11.003   5.234
  207   HH22  ARG  27          2HH2      ARG  27  -1.225 -11.168   6.934
  208    H    TRP  28           H        TRP  28   2.750  -3.784   3.431
  209    HA   TRP  28           HA       TRP  28   0.034  -2.931   3.573
  210    HB2  TRP  28           HB3      TRP  28   0.629  -1.137   5.248
  211    HB3  TRP  28           HB2      TRP  28   0.512  -2.760   5.866
  212    HD1  TRP  28           HD       TRP  28   3.375  -0.310   4.820
  213    HE1  TRP  28          1HE       TRP  28   5.268  -0.630   6.637
  214    HE3  TRP  28          3HE       TRP  28   1.336  -4.086   7.563
  215    HZ2  TRP  28          2HZ       TRP  28   5.772  -2.234   8.835
  216    HZ3  TRP  28          3HZ       TRP  28   2.559  -4.945   9.493
  217    HH2  TRP  28           HH       TRP  28   4.742  -4.041  10.116
  218    H    CYS  29           H        CYS  29  -0.130  -0.539   3.232
  219    HA   CYS  29           HA       CYS  29   1.190  -0.104   0.767
  220    HB2  CYS  29           HB3      CYS  29  -1.127   0.524   0.968
  221    HB3  CYS  29           HB2      CYS  29  -0.757   1.602   2.311
  222    H    LYS  30           H        LYS  30   2.673   1.272   0.213
  223    HA   LYS  30           HA       LYS  30   3.680   3.247   2.036
  224    HB2  LYS  30           HB3      LYS  30   5.311   0.941   1.040
  225    HB3  LYS  30           HB2      LYS  30   6.035   2.475   1.445
  226    HG2  LYS  30          2HG       LYS  30   5.149   2.193   3.754
  227    HG3  LYS  30          1HG       LYS  30   4.544   0.603   3.265
  228    HD2  LYS  30          2HD       LYS  30   6.714  -0.211   2.882
  229    HD3  LYS  30          1HD       LYS  30   7.420   1.402   2.985
  230    HE2  LYS  30          2HE       LYS  30   6.736   1.509   5.352
  231    HE3  LYS  30          1HE       LYS  30   6.106  -0.130   5.204
  232    HZ1  LYS  30          1HZ       LYS  30   8.368   0.048   6.180
  233    HZ2  LYS  30          2HZ       LYS  30   8.934   0.538   4.660
  234    HZ3  LYS  30          3HZ       LYS  30   8.224  -0.982   4.865
  235    H    TYR  31           H        TYR  31   5.573   4.351   0.856
  236    HA   TYR  31           HA       TYR  31   4.529   5.353  -1.572
  237    HB2  TYR  31           HB3      TYR  31   5.798   6.780  -0.056
  238    HB3  TYR  31           HB2      TYR  31   7.197   5.728  -0.206
  239    HD1  TYR  31          1HD       TYR  31   4.944   7.815  -2.283
  240    HD2  TYR  31          2HD       TYR  31   8.858   6.279  -1.745
  241    HE1  TYR  31          1HE       TYR  31   5.716   9.152  -4.155
  242    HE2  TYR  31          2HE       TYR  31   9.656   7.618  -3.631
  243    HH   TYR  31           HH       TYR  31   8.651   8.645  -5.672
  244    H    ASP  32           H        ASP  32   4.653   4.329  -3.433
  245    HA   ASP  32           HA       ASP  32   7.169   3.032  -4.148
  246    HB2  ASP  32           HB3      ASP  32   5.541   1.235  -3.525
  247    HB3  ASP  32           HB2      ASP  32   4.458   1.832  -4.774
  248    H    LEU  33           H        LEU  33   4.152   3.338  -5.825
  249    HA   LEU  33           HA       LEU  33   5.094   5.582  -7.351
  250    HB2  LEU  33           HB3      LEU  33   6.243   3.763  -8.519
  251    HB3  LEU  33           HB2      LEU  33   4.730   2.928  -8.770
  252    HG   LEU  33           HG       LEU  33   3.975   4.778 -10.229
  253   HD11  LEU  33          HD11      LEU  33   5.275   6.593  -9.281
  254   HD12  LEU  33          HD12      LEU  33   5.603   6.431 -11.005
  255   HD13  LEU  33          HD13      LEU  33   6.768   5.830  -9.827
  256   HD21  LEU  33          HD21      LEU  33   5.443   4.253 -12.108
  257   HD22  LEU  33          HD22      LEU  33   5.033   2.803 -11.190
  258   HD23  LEU  33          HD23      LEU  33   6.619   3.550 -10.999
  259    HN1  NH2  34           HN1      NH2  34   2.829   3.107  -8.413
  260    HN2  NH2  34           HN2      NH2  34   1.412   4.079  -8.272
  Start of MODEL   10
    1    H1   ASP   1          1HT       ASP   1 -14.094   7.058  -0.531
    2    H2   ASP   1          2HT       ASP   1 -13.356   5.720   0.242
    3    H3   ASP   1          3HT       ASP   1 -13.138   5.957  -1.401
    4    HA   ASP   1           HA       ASP   1 -11.851   7.917  -1.035
    5    HB2  ASP   1           HB3      ASP   1 -12.259   7.301   1.908
    6    HB3  ASP   1           HB2      ASP   1 -11.219   8.556   1.251
    7    H    CYS   2           H        CYS   2  -9.602   7.666  -0.730
    8    HA   CYS   2           HA       CYS   2  -8.951   4.860  -0.542
    9    HB2  CYS   2           HB3      CYS   2  -6.755   5.581  -1.199
   10    HB3  CYS   2           HB2      CYS   2  -7.996   5.832  -2.422
   11    H    LEU   3           H        LEU   3  -6.700   4.465   0.391
   12    HA   LEU   3           HA       LEU   3  -6.798   5.325   3.165
   13    HB2  LEU   3           HB3      LEU   3  -5.248   3.107   1.926
   14    HB3  LEU   3           HB2      LEU   3  -5.785   3.310   3.577
   15    HG   LEU   3           HG       LEU   3  -7.590   2.857   1.263
   16   HD11  LEU   3          HD11      LEU   3  -6.145   0.882   1.617
   17   HD12  LEU   3          HD12      LEU   3  -7.774   0.498   2.158
   18   HD13  LEU   3          HD13      LEU   3  -6.523   0.882   3.338
   19   HD21  LEU   3          HD21      LEU   3  -8.077   2.730   4.246
   20   HD22  LEU   3          HD22      LEU   3  -9.249   2.248   3.020
   21   HD23  LEU   3          HD23      LEU   3  -8.714   3.928   3.115
   22    H    GLY   4           H        GLY   4  -4.869   6.040   4.142
   23    HA2  GLY   4          2HA       GLY   4  -2.656   6.788   2.478
   24    HA3  GLY   4          1HA       GLY   4  -2.799   6.997   4.234
   25    H    TRP   5           H        TRP   5  -0.381   5.908   3.604
   26    HA   TRP   5           HA       TRP   5  -0.787   3.194   3.278
   27    HB2  TRP   5           HB3      TRP   5   1.336   3.105   2.664
   28    HB3  TRP   5           HB2      TRP   5   0.948   4.729   2.244
   29    HD1  TRP   5           HD       TRP   5   3.315   2.685   4.158
   30    HE1  TRP   5          1HE       TRP   5   5.154   4.102   5.130
   31    HE3  TRP   5          3HE       TRP   5   1.141   7.249   3.488
   32    HZ2  TRP   5          2HZ       TRP   5   5.618   6.897   5.645
   33    HZ3  TRP   5          3HZ       TRP   5   2.336   9.239   4.269
   34    HH2  TRP   5           HH       TRP   5   4.529   9.062   5.324
   35    H    PHE   6           H        PHE   6   1.012   1.946   4.694
   36    HA   PHE   6           HA       PHE   6   1.378   0.830   6.557
   37    HB2  PHE   6           HB3      PHE   6   0.156   3.193   7.985
   38    HB3  PHE   6           HB2      PHE   6   0.533   1.685   8.805
   39    HD1  PHE   6          1HD       PHE   6   1.850   4.775   7.478
   40    HD2  PHE   6          2HD       PHE   6   2.882   0.925   8.961
   41    HE1  PHE   6          1HE       PHE   6   4.153   5.544   7.873
   42    HE2  PHE   6          2HE       PHE   6   5.175   1.676   9.355
   43    HZ   PHE   6           HZ       PHE   6   5.822   4.002   8.813
   44    H    LYS   7           H        LYS   7  -1.677   1.618   5.403
   45    HA   LYS   7           HA       LYS   7  -3.168  -0.035   7.096
   46    HB2  LYS   7           HB3      LYS   7  -3.735   1.077   4.362
   47    HB3  LYS   7           HB2      LYS   7  -4.908   0.322   5.425
   48    HG2  LYS   7          2HG       LYS   7  -3.364   2.812   6.074
   49    HG3  LYS   7          1HG       LYS   7  -5.005   2.792   5.449
   50    HD2  LYS   7          2HD       LYS   7  -5.689   1.480   7.454
   51    HD3  LYS   7          1HD       LYS   7  -4.039   1.616   8.065
   52    HE2  LYS   7          2HE       LYS   7  -4.269   4.066   8.053
   53    HE3  LYS   7          1HE       LYS   7  -5.935   3.886   7.508
   54    HZ1  LYS   7          1HZ       LYS   7  -6.391   2.633   9.557
   55    HZ2  LYS   7          2HZ       LYS   7  -5.908   4.204   9.849
   56    HZ3  LYS   7          3HZ       LYS   7  -4.818   2.944  10.095
   57    H    SER   8           H        SER   8  -4.170  -1.837   6.430
   58    HA   SER   8           HA       SER   8  -2.481  -3.764   5.207
   59    HB2  SER   8           HB3      SER   8  -5.211  -3.966   6.428
   60    HB3  SER   8           HB2      SER   8  -4.062  -5.276   6.142
   61    HG   SER   8           HG       SER   8  -4.279  -3.735   8.253
   62    H    CYS   9           H        CYS   9  -2.682  -4.446   3.114
   63    HA   CYS   9           HA       CYS   9  -5.150  -4.752   1.874
   64    HB2  CYS   9           HB3      CYS   9  -4.436  -3.405  -0.070
   65    HB3  CYS   9           HB2      CYS   9  -4.977  -2.446   1.301
   66    H    ASP  10           H        ASP  10  -4.386  -5.219  -0.578
   67    HA   ASP  10           HA       ASP  10  -2.033  -6.999  -0.407
   68    HB2  ASP  10           HB3      ASP  10  -4.213  -8.277  -0.452
   69    HB3  ASP  10           HB2      ASP  10  -4.583  -7.503  -1.984
   70    HA   PRO  11           HA       PRO  11  -0.626  -4.520  -3.872
   71    HB2  PRO  11           HB3      PRO  11   0.764  -6.537  -5.224
   72    HB3  PRO  11           HB2      PRO  11   1.420  -5.540  -3.920
   73    HG2  PRO  11          2HG       PRO  11   0.233  -8.264  -3.787
   74    HG3  PRO  11          1HG       PRO  11   1.668  -7.619  -2.966
   75    HD2  PRO  11          2HD       PRO  11  -0.614  -7.917  -1.664
   76    HD3  PRO  11          1HD       PRO  11   0.383  -6.471  -1.391
   77    H    LYS  12           H        LYS  12  -2.469  -7.535  -4.442
   78    HA   LYS  12           HA       LYS  12  -3.020  -6.796  -7.138
   79    HB2  LYS  12           HB3      LYS  12  -2.920  -9.174  -6.185
   80    HB3  LYS  12           HB2      LYS  12  -4.478  -8.830  -5.457
   81    HG2  LYS  12          2HG       LYS  12  -4.857 -10.003  -7.495
   82    HG3  LYS  12          1HG       LYS  12  -5.345  -8.317  -7.729
   83    HD2  LYS  12          2HD       LYS  12  -3.077  -7.880  -8.631
   84    HD3  LYS  12          1HD       LYS  12  -2.776  -9.598  -8.568
   85    HE2  LYS  12          2HE       LYS  12  -4.948  -8.248 -10.185
   86    HE3  LYS  12          1HE       LYS  12  -3.448  -8.906 -10.825
   87    HZ1  LYS  12          1HZ       LYS  12  -5.632 -10.463  -9.540
   88    HZ2  LYS  12          2HZ       LYS  12  -4.182 -11.114 -10.117
   89    HZ3  LYS  12          3HZ       LYS  12  -5.268 -10.395 -11.180
   90    H    ASN  13           H        ASN  13  -4.299  -6.231  -4.019
   91    HA   ASN  13           HA       ASN  13  -6.693  -5.033  -5.175
   92    HB2  ASN  13           HB3      ASN  13  -7.239  -7.257  -4.130
   93    HB3  ASN  13           HB2      ASN  13  -6.697  -6.604  -2.589
   94   HD21  ASN  13          HD21      ASN  13  -9.114  -6.444  -5.065
   95   HD22  ASN  13          HD22      ASN  13 -10.297  -5.615  -4.134
   96    H    ASP  14           H        ASP  14  -5.431  -3.221  -5.081
   97    HA   ASP  14           HA       ASP  14  -4.529  -2.142  -2.529
   98    HB2  ASP  14           HB3      ASP  14  -3.166  -2.006  -4.586
   99    HB3  ASP  14           HB2      ASP  14  -4.417  -0.975  -5.297
  100    H    LYS  15           H        LYS  15  -5.394  -0.382  -1.622
  101    HA   LYS  15           HA       LYS  15  -7.797   0.812  -2.791
  102    HB2  LYS  15           HB3      LYS  15  -7.443  -0.241   0.003
  103    HB3  LYS  15           HB2      LYS  15  -8.770   0.780  -0.515
  104    HG2  LYS  15          2HG       LYS  15  -9.501  -0.963  -2.071
  105    HG3  LYS  15          1HG       LYS  15  -8.129  -1.963  -1.594
  106    HD2  LYS  15          2HD       LYS  15  -9.000  -2.013   0.709
  107    HD3  LYS  15          1HD       LYS  15 -10.393  -1.066   0.182
  108    HE2  LYS  15          2HE       LYS  15 -11.019  -2.833  -1.376
  109    HE3  LYS  15          1HE       LYS  15  -9.615  -3.772  -0.892
  110    HZ1  LYS  15          1HZ       LYS  15 -10.554  -3.899   1.351
  111    HZ2  LYS  15          2HZ       LYS  15 -11.584  -4.569   0.209
  112    HZ3  LYS  15          3HZ       LYS  15 -11.920  -3.055   0.844
  113    H    CYS  16           H        CYS  16  -4.838   1.498  -2.217
  114    HA   CYS  16           HA       CYS  16  -5.074   3.579  -0.231
  115    HB2  CYS  16           HB3      CYS  16  -2.739   2.603  -1.869
  116    HB3  CYS  16           HB2      CYS  16  -2.666   3.824  -0.598
  117    H    CYS  17           H        CYS  17  -3.987   5.709  -0.842
  118    HA   CYS  17           HA       CYS  17  -5.210   6.740  -3.140
  119    HB2  CYS  17           HB3      CYS  17  -3.183   7.903  -1.219
  120    HB3  CYS  17           HB2      CYS  17  -4.138   8.801  -2.388
  121    H    LYS  18           H        LYS  18  -3.493   8.318  -4.372
  122    HA   LYS  18           HA       LYS  18  -2.079   6.545  -6.000
  123    HB2  LYS  18           HB3      LYS  18  -3.185   8.635  -6.738
  124    HB3  LYS  18           HB2      LYS  18  -1.953   9.560  -5.897
  125    HG2  LYS  18          2HG       LYS  18  -1.487   9.508  -8.268
  126    HG3  LYS  18          1HG       LYS  18  -0.249   8.608  -7.396
  127    HD2  LYS  18          2HD       LYS  18  -0.897   7.420  -9.413
  128    HD3  LYS  18          1HD       LYS  18  -1.377   6.498  -7.997
  129    HE2  LYS  18          2HE       LYS  18  -3.115   6.481  -9.730
  130    HE3  LYS  18          1HE       LYS  18  -3.691   7.275  -8.268
  131    HZ1  LYS  18          1HZ       LYS  18  -4.287   8.452 -10.334
  132    HZ2  LYS  18          2HZ       LYS  18  -2.664   8.716 -10.669
  133    HZ3  LYS  18          3HZ       LYS  18  -3.375   9.409  -9.321
  134    H    ASN  19           H        ASN  19   0.001   6.418  -6.313
  135    HA   ASN  19           HA       ASN  19   2.237   6.336  -6.055
  136    HB2  ASN  19           HB3      ASN  19   1.924   8.518  -3.994
  137    HB3  ASN  19           HB2      ASN  19   3.470   7.816  -4.462
  138   HD21  ASN  19          HD21      ASN  19   0.919   9.936  -5.340
  139   HD22  ASN  19          HD22      ASN  19   1.627  10.559  -6.770
  140    H    TYR  20           H        TYR  20   0.251   6.044  -3.346
  141    HA   TYR  20           HA       TYR  20   2.099   4.316  -1.997
  142    HB2  TYR  20           HB3      TYR  20  -0.860   4.563  -1.483
  143    HB3  TYR  20           HB2      TYR  20   0.411   3.983  -0.423
  144    HD1  TYR  20          1HD       TYR  20   2.190   5.655   0.338
  145    HD2  TYR  20          2HD       TYR  20  -1.528   6.779  -1.326
  146    HE1  TYR  20          1HE       TYR  20   2.414   7.868   1.367
  147    HE2  TYR  20          2HE       TYR  20  -1.325   9.018  -0.305
  148    HH   TYR  20           HH       TYR  20   1.572  10.145   1.016
  149    H    THR  21           H        THR  21   1.868   2.133  -1.898
  150    HA   THR  21           HA       THR  21  -0.201   0.742  -3.357
  151    HB   THR  21           HB       THR  21   2.677   0.188  -4.005
  152    HG1  THR  21          1HG       THR  21   0.928   2.052  -5.042
  153   HG21  THR  21          1HG2      THR  21   1.731  -1.076  -5.912
  154   HG22  THR  21          2HG2      THR  21   0.108  -0.668  -5.360
  155   HG23  THR  21          3HG2      THR  21   1.151  -1.675  -4.360
  156    H    CYS  22           H        CYS  22  -0.391  -1.280  -2.568
  157    HA   CYS  22           HA       CYS  22   0.678  -1.969  -0.059
  158    HB2  CYS  22           HB3      CYS  22  -0.510  -3.834  -2.038
  159    HB3  CYS  22           HB2      CYS  22  -0.565  -3.893  -0.286
  160    H    SER  23           H        SER  23   2.436  -2.821   0.477
  161    HA   SER  23           HA       SER  23   4.417  -3.665  -1.445
  162    HB2  SER  23           HB3      SER  23   5.010  -2.152   0.427
  163    HB3  SER  23           HB2      SER  23   4.424  -3.332   1.581
  164    HG   SER  23           HG       SER  23   6.706  -3.409   1.401
  165    H    ARG  24           H        ARG  24   4.850  -5.844  -1.797
  166    HA   ARG  24           HA       ARG  24   3.330  -7.762  -0.320
  167    HB2  ARG  24           HB3      ARG  24   3.669  -8.278  -2.663
  168    HB3  ARG  24           HB2      ARG  24   5.409  -8.113  -2.502
  169    HG2  ARG  24          2HG       ARG  24   4.689 -10.472  -2.709
  170    HG3  ARG  24          1HG       ARG  24   5.533 -10.149  -1.198
  171    HD2  ARG  24          2HD       ARG  24   3.631 -11.579  -0.755
  172    HD3  ARG  24          1HD       ARG  24   3.335  -9.993  -0.052
  173    HE   ARG  24           HE       ARG  24   2.270 -10.496  -2.694
  174   HH11  ARG  24          1HH1      ARG  24   1.570 -10.225   0.796
  175   HH12  ARG  24          2HH1      ARG  24  -0.115 -10.215   0.589
  176   HH21  ARG  24          1HH2      ARG  24  -0.048 -10.533  -2.933
  177   HH22  ARG  24          2HH2      ARG  24  -1.070 -10.380  -1.593
  178    H    ARG  25           H        ARG  25   6.430  -6.413  -0.353
  179    HA   ARG  25           HA       ARG  25   7.970  -8.242   1.103
  180    HB2  ARG  25           HB3      ARG  25   8.860  -6.398  -0.219
  181    HB3  ARG  25           HB2      ARG  25   8.109  -5.248   0.863
  182    HG2  ARG  25          2HG       ARG  25   9.501  -6.028   2.675
  183    HG3  ARG  25          1HG       ARG  25  10.283  -7.170   1.572
  184    HD2  ARG  25          2HD       ARG  25  11.073  -5.335   0.195
  185    HD3  ARG  25          1HD       ARG  25  10.239  -4.175   1.227
  186    HE   ARG  25           HE       ARG  25  12.071  -5.829   2.639
  187   HH11  ARG  25          1HH1      ARG  25  11.838  -2.913   0.653
  188   HH12  ARG  25          2HH1      ARG  25  13.177  -2.128   1.322
  189   HH21  ARG  25          1HH2      ARG  25  13.973  -4.777   3.561
  190   HH22  ARG  25          2HH2      ARG  25  14.431  -3.221   3.054
  191    H    ASP  26           H        ASP  26   6.317  -5.315   2.098
  192    HA   ASP  26           HA       ASP  26   6.709  -5.926   4.932
  193    HB2  ASP  26           HB3      ASP  26   5.379  -3.529   3.665
  194    HB3  ASP  26           HB2      ASP  26   5.871  -3.688   5.346
  195    H    ARG  27           H        ARG  27   4.347  -6.213   2.513
  196    HA   ARG  27           HA       ARG  27   2.376  -7.050   2.368
  197    HB2  ARG  27           HB3      ARG  27   2.575  -7.715   5.297
  198    HB3  ARG  27           HB2      ARG  27   1.329  -8.255   4.168
  199    HG2  ARG  27          2HG       ARG  27   2.976  -9.449   2.858
  200    HG3  ARG  27          1HG       ARG  27   4.262  -8.872   3.914
  201    HD2  ARG  27          2HD       ARG  27   1.969 -10.661   4.710
  202    HD3  ARG  27          1HD       ARG  27   3.641 -11.160   4.457
  203    HE   ARG  27           HE       ARG  27   3.622  -9.138   6.357
  204   HH11  ARG  27          1HH1      ARG  27   2.649 -12.518   6.026
  205   HH12  ARG  27          2HH1      ARG  27   2.633 -12.845   7.687
  206   HH21  ARG  27          1HH2      ARG  27   3.558  -9.540   8.655
  207   HH22  ARG  27          2HH2      ARG  27   3.165 -11.086   9.244
  208    H    TRP  28           H        TRP  28   2.936  -4.252   3.782
  209    HA   TRP  28           HA       TRP  28   0.073  -3.719   3.841
  210    HB2  TRP  28           HB3      TRP  28   0.361  -1.972   5.555
  211    HB3  TRP  28           HB2      TRP  28   0.878  -3.532   6.158
  212    HD1  TRP  28           HD       TRP  28   2.489  -0.299   4.732
  213    HE1  TRP  28          1HE       TRP  28   4.719   0.088   5.944
  214    HE3  TRP  28          3HE       TRP  28   2.576  -4.504   7.615
  215    HZ2  TRP  28          2HZ       TRP  28   6.298  -1.204   7.871
  216    HZ3  TRP  28          3HZ       TRP  28   4.481  -4.851   9.125
  217    HH2  TRP  28           HH       TRP  28   6.304  -3.234   9.247
  218    H    CYS  29           H        CYS  29  -0.337  -1.290   3.533
  219    HA   CYS  29           HA       CYS  29   0.620  -0.551   0.993
  220    HB2  CYS  29           HB3      CYS  29  -1.613  -0.102   1.953
  221    HB3  CYS  29           HB2      CYS  29  -0.829   1.053   3.039
  222    H    LYS  30           H        LYS  30   2.185   0.752   0.430
  223    HA   LYS  30           HA       LYS  30   3.403   2.552   2.363
  224    HB2  LYS  30           HB3      LYS  30   4.903   0.458   0.853
  225    HB3  LYS  30           HB2      LYS  30   5.636   1.894   1.514
  226    HG2  LYS  30          2HG       LYS  30   5.028   1.187   3.751
  227    HG3  LYS  30          1HG       LYS  30   4.188  -0.217   3.094
  228    HD2  LYS  30          2HD       LYS  30   6.374  -0.859   3.917
  229    HD3  LYS  30          1HD       LYS  30   6.301  -1.038   2.170
  230    HE2  LYS  30          2HE       LYS  30   8.420  -0.077   2.815
  231    HE3  LYS  30          1HE       LYS  30   7.493   1.118   1.923
  232    HZ1  LYS  30          1HZ       LYS  30   8.547   2.091   3.831
  233    HZ2  LYS  30          2HZ       LYS  30   7.824   0.969   4.863
  234    HZ3  LYS  30          3HZ       LYS  30   6.877   2.114   4.067
  235    H    TYR  31           H        TYR  31   4.787   4.092   1.478
  236    HA   TYR  31           HA       TYR  31   3.946   4.988  -1.144
  237    HB2  TYR  31           HB3      TYR  31   4.153   6.608   0.744
  238    HB3  TYR  31           HB2      TYR  31   5.853   6.197   0.887
  239    HD1  TYR  31          1HD       TYR  31   7.488   7.221  -0.538
  240    HD2  TYR  31          2HD       TYR  31   3.342   7.803  -1.295
  241    HE1  TYR  31          1HE       TYR  31   8.033   8.996  -2.140
  242    HE2  TYR  31          2HE       TYR  31   3.878   9.567  -2.896
  243    HH   TYR  31           HH       TYR  31   5.703  11.151  -3.361
  244    H    ASP  32           H        ASP  32   5.016   4.168  -2.833
  245    HA   ASP  32           HA       ASP  32   7.866   4.051  -2.792
  246    HB2  ASP  32           HB3      ASP  32   7.145   1.911  -1.784
  247    HB3  ASP  32           HB2      ASP  32   6.245   1.556  -3.246
  248    H    LEU  33           H        LEU  33   7.794   5.450  -4.392
  249    HA   LEU  33           HA       LEU  33   7.094   4.463  -7.018
  250    HB2  LEU  33           HB3      LEU  33   5.086   5.737  -5.991
  251    HB3  LEU  33           HB2      LEU  33   6.081   7.165  -6.080
  252    HG   LEU  33           HG       LEU  33   4.425   7.064  -7.886
  253   HD11  LEU  33          HD11      LEU  33   6.447   8.280  -8.370
  254   HD12  LEU  33          HD12      LEU  33   5.849   7.472  -9.819
  255   HD13  LEU  33          HD13      LEU  33   7.225   6.804  -8.941
  256   HD21  LEU  33          HD21      LEU  33   5.859   4.571  -8.779
  257   HD22  LEU  33          HD22      LEU  33   4.586   5.406  -9.669
  258   HD23  LEU  33          HD23      LEU  33   4.229   4.662  -8.112
  259    HN1  NH2  34           HN1      NH2  34   9.249   4.500  -7.462
  260    HN2  NH2  34           HN2      NH2  34  10.248   5.910  -7.435
  Start of MODEL   11
    1    H1   ASP   1          1HT       ASP   1 -13.066   6.815  -1.093
    2    H2   ASP   1          2HT       ASP   1 -13.792   7.849   0.061
    3    H3   ASP   1          3HT       ASP   1 -13.447   6.244   0.431
    4    HA   ASP   1           HA       ASP   1 -11.362   8.212  -0.196
    5    HB2  ASP   1           HB3      ASP   1 -12.224   7.041   2.462
    6    HB3  ASP   1           HB2      ASP   1 -10.797   8.035   2.203
    7    H    CYS   2           H        CYS   2  -9.283   7.326   0.343
    8    HA   CYS   2           HA       CYS   2  -9.282   4.429   0.061
    9    HB2  CYS   2           HB3      CYS   2  -6.918   4.900  -0.713
   10    HB3  CYS   2           HB2      CYS   2  -8.243   5.165  -1.837
   11    H    LEU   3           H        LEU   3  -6.999   3.609   0.858
   12    HA   LEU   3           HA       LEU   3  -6.948   4.187   3.672
   13    HB2  LEU   3           HB3      LEU   3  -5.097   2.412   2.137
   14    HB3  LEU   3           HB2      LEU   3  -5.644   2.296   3.791
   15    HG   LEU   3           HG       LEU   3  -7.395   1.880   1.427
   16   HD11  LEU   3          HD11      LEU   3  -7.158  -0.571   1.978
   17   HD12  LEU   3          HD12      LEU   3  -5.887  -0.147   3.132
   18   HD13  LEU   3          HD13      LEU   3  -5.673   0.176   1.409
   19   HD21  LEU   3          HD21      LEU   3  -8.889   0.761   3.060
   20   HD22  LEU   3          HD22      LEU   3  -8.618   2.461   3.442
   21   HD23  LEU   3          HD23      LEU   3  -7.775   1.207   4.354
   22    H    GLY   4           H        GLY   4  -5.103   5.071   4.707
   23    HA2  GLY   4          2HA       GLY   4  -3.204   6.476   3.086
   24    HA3  GLY   4          1HA       GLY   4  -3.212   6.349   4.855
   25    H    TRP   5           H        TRP   5  -0.705   5.902   4.013
   26    HA   TRP   5           HA       TRP   5  -0.584   3.237   3.265
   27    HB2  TRP   5           HB3      TRP   5   1.526   3.647   2.731
   28    HB3  TRP   5           HB2      TRP   5   0.893   5.244   2.600
   29    HD1  TRP   5           HD       TRP   5   3.537   3.300   4.262
   30    HE1  TRP   5          1HE       TRP   5   4.971   4.744   5.684
   31    HE3  TRP   5          3HE       TRP   5   0.551   7.406   4.330
   32    HZ2  TRP   5          2HZ       TRP   5   4.855   7.388   6.810
   33    HZ3  TRP   5          3HZ       TRP   5   1.273   9.365   5.633
   34    HH2  TRP   5           HH       TRP   5   3.387   9.347   6.849
   35    H    PHE   6           H        PHE   6   1.063   1.954   4.548
   36    HA   PHE   6           HA       PHE   6   1.436   0.622   6.251
   37    HB2  PHE   6           HB3      PHE   6   0.511   2.919   7.966
   38    HB3  PHE   6           HB2      PHE   6   0.825   1.318   8.631
   39    HD1  PHE   6          1HD       PHE   6   3.145   0.327   7.634
   40    HD2  PHE   6          2HD       PHE   6   2.233   4.424   8.297
   41    HE1  PHE   6          1HE       PHE   6   5.529   0.812   7.847
   42    HE2  PHE   6          2HE       PHE   6   4.630   4.918   8.503
   43    HZ   PHE   6           HZ       PHE   6   6.287   3.089   8.275
   44    H    LYS   7           H        LYS   7  -1.580   1.621   5.320
   45    HA   LYS   7           HA       LYS   7  -2.985  -0.241   6.915
   46    HB2  LYS   7           HB3      LYS   7  -3.839   1.237   4.454
   47    HB3  LYS   7           HB2      LYS   7  -4.875   0.480   5.649
   48    HG2  LYS   7          2HG       LYS   7  -3.091   2.845   6.129
   49    HG3  LYS   7          1HG       LYS   7  -4.832   2.905   5.926
   50    HD2  LYS   7          2HD       LYS   7  -5.044   1.463   7.949
   51    HD3  LYS   7          1HD       LYS   7  -3.295   1.530   8.138
   52    HE2  LYS   7          2HE       LYS   7  -3.455   4.003   8.312
   53    HE3  LYS   7          1HE       LYS   7  -5.209   3.852   8.261
   54    HZ1  LYS   7          1HZ       LYS   7  -4.433   4.021  10.536
   55    HZ2  LYS   7          2HZ       LYS   7  -3.423   2.715  10.327
   56    HZ3  LYS   7          3HZ       LYS   7  -5.086   2.485  10.284
   57    H    SER   8           H        SER   8  -3.880  -1.974   6.123
   58    HA   SER   8           HA       SER   8  -2.166  -3.552   4.543
   59    HB2  SER   8           HB3      SER   8  -4.793  -4.165   5.840
   60    HB3  SER   8           HB2      SER   8  -3.525  -5.296   5.362
   61    HG   SER   8           HG       SER   8  -2.167  -4.386   6.876
   62    H    CYS   9           H        CYS   9  -2.360  -3.842   2.392
   63    HA   CYS   9           HA       CYS   9  -4.907  -4.290   1.273
   64    HB2  CYS   9           HB3      CYS   9  -4.257  -2.902  -0.705
   65    HB3  CYS   9           HB2      CYS   9  -4.812  -1.997   0.693
   66    H    ASP  10           H        ASP  10  -4.453  -4.895  -1.055
   67    HA   ASP  10           HA       ASP  10  -2.256  -6.855  -0.961
   68    HB2  ASP  10           HB3      ASP  10  -4.599  -7.691  -1.165
   69    HB3  ASP  10           HB2      ASP  10  -4.727  -6.840  -2.700
   70    HA   PRO  11           HA       PRO  11  -0.199  -4.535  -4.152
   71    HB2  PRO  11           HB3      PRO  11   1.024  -6.633  -5.491
   72    HB3  PRO  11           HB2      PRO  11   1.641  -5.895  -4.006
   73    HG2  PRO  11          2HG       PRO  11  -0.016  -8.362  -4.329
   74    HG3  PRO  11          1HG       PRO  11   1.411  -8.098  -3.312
   75    HD2  PRO  11          2HD       PRO  11  -1.024  -8.039  -2.272
   76    HD3  PRO  11          1HD       PRO  11   0.202  -6.863  -1.732
   77    H    LYS  12           H        LYS  12  -2.322  -7.290  -5.050
   78    HA   LYS  12           HA       LYS  12  -2.472  -6.377  -7.762
   79    HB2  LYS  12           HB3      LYS  12  -3.394  -8.710  -6.186
   80    HB3  LYS  12           HB2      LYS  12  -4.134  -8.370  -7.729
   81    HG2  LYS  12          2HG       LYS  12  -2.438 -10.043  -8.036
   82    HG3  LYS  12          1HG       LYS  12  -1.841  -8.549  -8.743
   83    HD2  LYS  12          2HD       LYS  12  -0.512  -8.148  -6.704
   84    HD3  LYS  12          1HD       LYS  12  -1.096  -9.675  -6.047
   85    HE2  LYS  12          2HE       LYS  12   1.120  -9.957  -7.021
   86    HE3  LYS  12          1HE       LYS  12  -0.093 -10.869  -7.917
   87    HZ1  LYS  12          1HZ       LYS  12   1.048  -8.261  -8.707
   88    HZ2  LYS  12          2HZ       LYS  12  -0.108  -9.069  -9.598
   89    HZ3  LYS  12          3HZ       LYS  12   1.433  -9.721  -9.409
   90    H    ASN  13           H        ASN  13  -4.008  -5.800  -4.810
   91    HA   ASN  13           HA       ASN  13  -6.359  -4.767  -6.173
   92    HB2  ASN  13           HB3      ASN  13  -7.000  -6.963  -5.189
   93    HB3  ASN  13           HB2      ASN  13  -6.497  -6.387  -3.611
   94   HD21  ASN  13          HD21      ASN  13  -8.892  -6.104  -6.101
   95   HD22  ASN  13          HD22      ASN  13 -10.096  -5.328  -5.153
   96    H    ASP  14           H        ASP  14  -5.334  -2.891  -6.005
   97    HA   ASP  14           HA       ASP  14  -4.362  -1.764  -3.606
   98    HB2  ASP  14           HB3      ASP  14  -3.484  -0.919  -5.603
   99    HB3  ASP  14           HB2      ASP  14  -5.092  -0.554  -6.250
  100    H    LYS  15           H        LYS  15  -5.188  -0.355  -2.293
  101    HA   LYS  15           HA       LYS  15  -7.880   0.611  -2.662
  102    HB2  LYS  15           HB3      LYS  15  -8.059  -1.608  -1.509
  103    HB3  LYS  15           HB2      LYS  15  -7.128  -0.952  -0.175
  104    HG2  LYS  15          2HG       LYS  15  -9.504  -0.965   0.349
  105    HG3  LYS  15          1HG       LYS  15  -8.907   0.692   0.240
  106    HD2  LYS  15          2HD       LYS  15  -9.784   0.846  -2.045
  107    HD3  LYS  15          1HD       LYS  15 -10.380  -0.810  -1.915
  108    HE2  LYS  15          2HE       LYS  15 -11.857  -0.156  -0.121
  109    HE3  LYS  15          1HE       LYS  15 -11.206   1.483  -0.154
  110    HZ1  LYS  15          1HZ       LYS  15 -12.669   0.162  -2.372
  111    HZ2  LYS  15          2HZ       LYS  15 -12.021   1.732  -2.382
  112    HZ3  LYS  15          3HZ       LYS  15 -13.283   1.360  -1.340
  113    H    CYS  16           H        CYS  16  -4.735   1.221  -1.964
  114    HA   CYS  16           HA       CYS  16  -5.349   3.072   0.177
  115    HB2  CYS  16           HB3      CYS  16  -2.935   3.292   0.522
  116    HB3  CYS  16           HB2      CYS  16  -3.401   1.603   0.595
  117    H    CYS  17           H        CYS  17  -4.136   5.242  -0.083
  118    HA   CYS  17           HA       CYS  17  -5.192   6.345  -2.367
  119    HB2  CYS  17           HB3      CYS  17  -3.359   7.444  -0.268
  120    HB3  CYS  17           HB2      CYS  17  -4.170   8.394  -1.500
  121    H    LYS  18           H        LYS  18  -3.969   7.766  -3.725
  122    HA   LYS  18           HA       LYS  18  -2.256   6.145  -5.247
  123    HB2  LYS  18           HB3      LYS  18  -4.079   7.802  -6.014
  124    HB3  LYS  18           HB2      LYS  18  -2.891   9.046  -5.694
  125    HG2  LYS  18          2HG       LYS  18  -2.991   8.479  -8.056
  126    HG3  LYS  18          1HG       LYS  18  -1.410   8.116  -7.370
  127    HD2  LYS  18          2HD       LYS  18  -2.120   6.330  -8.846
  128    HD3  LYS  18          1HD       LYS  18  -2.045   5.736  -7.199
  129    HE2  LYS  18          2HE       LYS  18  -4.008   4.846  -8.216
  130    HE3  LYS  18          1HE       LYS  18  -4.539   6.056  -7.059
  131    HZ1  LYS  18          1HZ       LYS  18  -4.309   6.437  -9.994
  132    HZ2  LYS  18          2HZ       LYS  18  -4.871   7.602  -8.908
  133    HZ3  LYS  18          3HZ       LYS  18  -5.737   6.193  -9.161
  134    H    ASN  19           H        ASN  19  -0.271   6.999  -6.064
  135    HA   ASN  19           HA       ASN  19   1.891   7.682  -5.923
  136    HB2  ASN  19           HB3      ASN  19   1.030   9.960  -5.368
  137    HB3  ASN  19           HB2      ASN  19   0.985   9.525  -3.673
  138   HD21  ASN  19          HD21      ASN  19   3.694   8.599  -5.756
  139   HD22  ASN  19          HD22      ASN  19   4.811   9.683  -5.030
  140    H    TYR  20           H        TYR  20   0.281   6.515  -3.222
  141    HA   TYR  20           HA       TYR  20   2.650   5.280  -2.097
  142    HB2  TYR  20           HB3      TYR  20  -0.291   4.984  -1.473
  143    HB3  TYR  20           HB2      TYR  20   1.026   4.281  -0.561
  144    HD1  TYR  20          1HD       TYR  20  -1.136   7.055  -0.942
  145    HD2  TYR  20          2HD       TYR  20   2.665   5.930   0.566
  146    HE1  TYR  20          1HE       TYR  20  -1.132   9.040   0.497
  147    HE2  TYR  20          2HE       TYR  20   2.695   7.900   2.005
  148    HH   TYR  20           HH       TYR  20   1.653  10.112   2.140
  149    H    THR  21           H        THR  21   2.342   2.730  -1.813
  150    HA   THR  21           HA       THR  21   0.747   1.521  -3.899
  151    HB   THR  21           HB       THR  21   3.650   0.825  -3.768
  152    HG1  THR  21          1HG       THR  21   2.351   2.958  -4.929
  153   HG21  THR  21          1HG2      THR  21   2.179  -0.794  -4.847
  154   HG22  THR  21          2HG2      THR  21   3.242  -0.060  -6.048
  155   HG23  THR  21          3HG2      THR  21   1.560   0.458  -5.926
  156    H    CYS  22           H        CYS  22   0.251  -0.623  -3.394
  157    HA   CYS  22           HA       CYS  22   0.704  -1.540  -0.734
  158    HB2  CYS  22           HB3      CYS  22  -0.598  -2.827  -3.077
  159    HB3  CYS  22           HB2      CYS  22  -0.697  -3.375  -1.423
  160    H    SER  23           H        SER  23   2.213  -2.775  -0.141
  161    HA   SER  23           HA       SER  23   4.008  -4.053  -2.080
  162    HB2  SER  23           HB3      SER  23   5.076  -2.326  -0.801
  163    HB3  SER  23           HB2      SER  23   4.411  -2.937   0.702
  164    HG   SER  23           HG       SER  23   6.598  -3.445   0.391
  165    H    ARG  24           H        ARG  24   4.455  -6.241  -1.864
  166    HA   ARG  24           HA       ARG  24   2.829  -7.730  -0.004
  167    HB2  ARG  24           HB3      ARG  24   3.047  -8.624  -2.279
  168    HB3  ARG  24           HB2      ARG  24   4.793  -8.665  -2.117
  169    HG2  ARG  24          2HG       ARG  24   3.884 -10.902  -1.906
  170    HG3  ARG  24          1HG       ARG  24   4.587 -10.383  -0.376
  171    HD2  ARG  24          2HD       ARG  24   2.306  -9.778   0.403
  172    HD3  ARG  24          1HD       ARG  24   1.659 -10.448  -1.096
  173    HE   ARG  24           HE       ARG  24   3.334 -12.226   0.442
  174   HH11  ARG  24          1HH1      ARG  24   0.028 -11.200  -0.262
  175   HH12  ARG  24          2HH1      ARG  24  -0.695 -12.576   0.411
  176   HH21  ARG  24          1HH2      ARG  24   2.321 -14.128   1.393
  177   HH22  ARG  24          2HH2      ARG  24   0.623 -14.251   1.409
  178    H    ARG  25           H        ARG  25   6.021  -6.676  -0.458
  179    HA   ARG  25           HA       ARG  25   7.414  -8.404   1.291
  180    HB2  ARG  25           HB3      ARG  25   8.423  -7.057  -0.513
  181    HB3  ARG  25           HB2      ARG  25   8.038  -5.605   0.381
  182    HG2  ARG  25          2HG       ARG  25   9.484  -6.284   2.174
  183    HG3  ARG  25          1HG       ARG  25   9.843  -7.785   1.302
  184    HD2  ARG  25          2HD       ARG  25  10.864  -6.574  -0.490
  185    HD3  ARG  25          1HD       ARG  25  10.406  -5.031   0.209
  186    HE   ARG  25           HE       ARG  25  12.148  -6.803   1.746
  187   HH11  ARG  25          1HH1      ARG  25  11.779  -3.778  -0.077
  188   HH12  ARG  25          2HH1      ARG  25  13.312  -3.176   0.332
  189   HH21  ARG  25          1HH2      ARG  25  14.226  -5.980   2.313
  190   HH22  ARG  25          2HH2      ARG  25  14.764  -4.467   1.735
  191    H    ASP  26           H        ASP  26   6.104  -5.181   1.557
  192    HA   ASP  26           HA       ASP  26   6.663  -5.026   4.398
  193    HB2  ASP  26           HB3      ASP  26   5.104  -3.124   2.639
  194    HB3  ASP  26           HB2      ASP  26   5.531  -2.831   4.317
  195    H    ARG  27           H        ARG  27   4.089  -6.064   2.388
  196    HA   ARG  27           HA       ARG  27   2.204  -7.106   2.743
  197    HB2  ARG  27           HB3      ARG  27   2.768  -6.749   5.675
  198    HB3  ARG  27           HB2      ARG  27   1.366  -7.546   4.972
  199    HG2  ARG  27          2HG       ARG  27   2.716  -9.275   4.039
  200    HG3  ARG  27          1HG       ARG  27   4.199  -8.429   4.506
  201    HD2  ARG  27          2HD       ARG  27   3.581 -10.283   6.041
  202    HD3  ARG  27          1HD       ARG  27   3.701  -8.709   6.831
  203    HE   ARG  27           HE       ARG  27   1.105  -9.776   5.966
  204   HH11  ARG  27          1HH1      ARG  27   3.203  -8.602   8.588
  205   HH12  ARG  27          2HH1      ARG  27   1.972  -8.599   9.753
  206   HH21  ARG  27          1HH2      ARG  27  -0.597  -9.718   7.578
  207   HH22  ARG  27          2HH2      ARG  27  -0.234  -9.248   9.169
  208    H    TRP  28           H        TRP  28   2.619  -4.020   2.965
  209    HA   TRP  28           HA       TRP  28  -0.173  -3.483   2.943
  210    HB2  TRP  28           HB3      TRP  28   0.014  -1.630   4.659
  211    HB3  TRP  28           HB2      TRP  28   0.059  -3.261   5.307
  212    HD1  TRP  28           HD       TRP  28   2.632  -0.570   4.258
  213    HE1  TRP  28          1HE       TRP  28   4.578  -0.657   5.954
  214    HE3  TRP  28          3HE       TRP  28   0.997  -4.416   7.139
  215    HZ2  TRP  28          2HZ       TRP  28   5.284  -2.151   8.214
  216    HZ3  TRP  28          3HZ       TRP  28   2.351  -5.130   9.059
  217    HH2  TRP  28           HH       TRP  28   4.447  -4.025   9.585
  218    H    CYS  29           H        CYS  29  -0.270  -0.861   2.853
  219    HA   CYS  29           HA       CYS  29   1.230  -0.280   0.493
  220    HB2  CYS  29           HB3      CYS  29  -1.187   0.191   0.701
  221    HB3  CYS  29           HB2      CYS  29  -0.803   1.352   1.976
  222    H    LYS  30           H        LYS  30   2.824   1.155   0.328
  223    HA   LYS  30           HA       LYS  30   3.361   3.052   2.439
  224    HB2  LYS  30           HB3      LYS  30   5.400   1.042   1.472
  225    HB3  LYS  30           HB2      LYS  30   5.824   2.561   2.213
  226    HG2  LYS  30          2HG       LYS  30   4.811   1.873   4.307
  227    HG3  LYS  30          1HG       LYS  30   4.137   0.444   3.512
  228    HD2  LYS  30          2HD       LYS  30   6.078  -0.060   4.920
  229    HD3  LYS  30          1HD       LYS  30   6.324  -0.483   3.234
  230    HE2  LYS  30          2HE       LYS  30   7.693   1.508   2.924
  231    HE3  LYS  30          1HE       LYS  30   7.381   2.000   4.591
  232    HZ1  LYS  30          1HZ       LYS  30   9.557   0.830   4.297
  233    HZ2  LYS  30          2HZ       LYS  30   8.689  -0.585   3.893
  234    HZ3  LYS  30          3HZ       LYS  30   8.520   0.112   5.393
  235    H    TYR  31           H        TYR  31   5.300   4.478   1.624
  236    HA   TYR  31           HA       TYR  31   4.349   5.529  -0.846
  237    HB2  TYR  31           HB3      TYR  31   5.194   6.923   1.053
  238    HB3  TYR  31           HB2      TYR  31   6.807   6.300   0.738
  239    HD1  TYR  31          1HD       TYR  31   8.168   7.261  -0.941
  240    HD2  TYR  31          2HD       TYR  31   4.052   8.264  -0.702
  241    HE1  TYR  31          1HE       TYR  31   8.504   9.044  -2.586
  242    HE2  TYR  31          2HE       TYR  31   4.382  10.031  -2.337
  243    HH   TYR  31           HH       TYR  31   6.245  11.436  -3.127
  244    H    ASP  32           H        ASP  32   4.853   4.652  -2.728
  245    HA   ASP  32           HA       ASP  32   7.599   3.853  -3.250
  246    HB2  ASP  32           HB3      ASP  32   6.447   1.806  -2.640
  247    HB3  ASP  32           HB2      ASP  32   5.175   2.153  -3.791
  248    H    LEU  33           H        LEU  33   4.841   3.317  -5.260
  249    HA   LEU  33           HA       LEU  33   6.020   5.190  -7.198
  250    HB2  LEU  33           HB3      LEU  33   5.698   2.671  -7.697
  251    HB3  LEU  33           HB2      LEU  33   3.995   3.015  -7.784
  252    HG   LEU  33           HG       LEU  33   4.962   2.825 -10.002
  253   HD11  LEU  33          HD11      LEU  33   4.253   4.908 -11.037
  254   HD12  LEU  33          HD12      LEU  33   4.202   5.676  -9.449
  255   HD13  LEU  33          HD13      LEU  33   3.106   4.347  -9.820
  256   HD21  LEU  33          HD21      LEU  33   6.747   5.120  -9.235
  257   HD22  LEU  33          HD22      LEU  33   6.613   4.412 -10.843
  258   HD23  LEU  33          HD23      LEU  33   7.241   3.451  -9.506
  259    HN1  NH2  34           HN1      NH2  34   2.791   3.879  -6.740
  260    HN2  NH2  34           HN2      NH2  34   1.957   5.393  -6.729
  Start of MODEL   12
    1    H1   ASP   1          1HT       ASP   1 -13.145   6.085   0.978
    2    H2   ASP   1          2HT       ASP   1 -13.018   6.269  -0.673
    3    H3   ASP   1          3HT       ASP   1 -13.687   7.519   0.271
    4    HA   ASP   1           HA       ASP   1 -11.401   8.009  -0.411
    5    HB2  ASP   1           HB3      ASP   1 -11.639   7.326   2.525
    6    HB3  ASP   1           HB2      ASP   1 -10.453   8.402   1.821
    7    H    CYS   2           H        CYS   2  -9.272   7.324  -0.459
    8    HA   CYS   2           HA       CYS   2  -9.043   4.468  -0.273
    9    HB2  CYS   2           HB3      CYS   2  -6.722   4.869  -1.102
   10    HB3  CYS   2           HB2      CYS   2  -8.024   5.226  -2.221
   11    H    LEU   3           H        LEU   3  -6.714   3.763   0.538
   12    HA   LEU   3           HA       LEU   3  -7.036   4.099   3.346
   13    HB2  LEU   3           HB3      LEU   3  -4.959   2.554   1.850
   14    HB3  LEU   3           HB2      LEU   3  -5.524   2.319   3.488
   15    HG   LEU   3           HG       LEU   3  -7.132   1.877   1.006
   16   HD11  LEU   3          HD11      LEU   3  -6.943  -0.531   1.619
   17   HD12  LEU   3          HD12      LEU   3  -5.855  -0.083   2.932
   18   HD13  LEU   3          HD13      LEU   3  -5.382   0.201   1.256
   19   HD21  LEU   3          HD21      LEU   3  -7.802   1.278   3.893
   20   HD22  LEU   3          HD22      LEU   3  -8.773   0.798   2.502
   21   HD23  LEU   3          HD23      LEU   3  -8.552   2.509   2.873
   22    H    GLY   4           H        GLY   4  -5.578   4.998   4.750
   23    HA2  GLY   4          2HA       GLY   4  -3.495   6.664   3.710
   24    HA3  GLY   4          1HA       GLY   4  -3.899   6.399   5.418
   25    H    TRP   5           H        TRP   5  -1.242   6.149   4.041
   26    HA   TRP   5           HA       TRP   5  -0.940   3.439   3.796
   27    HB2  TRP   5           HB3      TRP   5   1.075   3.904   2.962
   28    HB3  TRP   5           HB2      TRP   5   0.239   5.381   2.633
   29    HD1  TRP   5           HD       TRP   5   3.186   4.014   4.472
   30    HE1  TRP   5          1HE       TRP   5   4.579   5.868   5.369
   31    HE3  TRP   5          3HE       TRP   5  -0.114   7.781   3.704
   32    HZ2  TRP   5          2HZ       TRP   5   4.320   8.727   5.771
   33    HZ3  TRP   5          3HZ       TRP   5   0.516  10.075   4.384
   34    HH2  TRP   5           HH       TRP   5   2.689  10.525   5.394
   35    H    PHE   6           H        PHE   6   0.876   2.448   4.884
   36    HA   PHE   6           HA       PHE   6   1.582   1.314   6.529
   37    HB2  PHE   6           HB3      PHE   6   0.852   3.659   8.210
   38    HB3  PHE   6           HB2      PHE   6   1.111   2.102   9.001
   39    HD1  PHE   6          1HD       PHE   6   2.691   4.985   7.606
   40    HD2  PHE   6          2HD       PHE   6   3.272   0.887   8.552
   41    HE1  PHE   6          1HE       PHE   6   5.128   5.308   7.517
   42    HE2  PHE   6          2HE       PHE   6   5.705   1.198   8.468
   43    HZ   PHE   6           HZ       PHE   6   6.640   3.406   7.947
   44    H    LYS   7           H        LYS   7  -1.671   2.028   6.092
   45    HA   LYS   7           HA       LYS   7  -2.705   0.065   7.826
   46    HB2  LYS   7           HB3      LYS   7  -3.859   1.399   5.375
   47    HB3  LYS   7           HB2      LYS   7  -4.722   0.355   6.479
   48    HG2  LYS   7          2HG       LYS   7  -3.415   2.807   7.495
   49    HG3  LYS   7          1HG       LYS   7  -5.000   2.889   6.738
   50    HD2  LYS   7          2HD       LYS   7  -5.724   1.080   8.345
   51    HD3  LYS   7          1HD       LYS   7  -4.169   1.279   9.153
   52    HE2  LYS   7          2HE       LYS   7  -5.832   2.533  10.324
   53    HE3  LYS   7          1HE       LYS   7  -4.700   3.627   9.512
   54    HZ1  LYS   7          1HZ       LYS   7  -6.354   4.033   7.805
   55    HZ2  LYS   7          2HZ       LYS   7  -7.041   4.341   9.314
   56    HZ3  LYS   7          3HZ       LYS   7  -7.403   2.922   8.498
   57    H    SER   8           H        SER   8  -3.545  -1.800   7.111
   58    HA   SER   8           HA       SER   8  -1.823  -3.311   5.448
   59    HB2  SER   8           HB3      SER   8  -4.305  -4.067   6.965
   60    HB3  SER   8           HB2      SER   8  -3.061  -5.147   6.334
   61    HG   SER   8           HG       SER   8  -2.659  -4.752   8.511
   62    H    CYS   9           H        CYS   9  -2.155  -3.677   3.293
   63    HA   CYS   9           HA       CYS   9  -4.768  -4.249   2.408
   64    HB2  CYS   9           HB3      CYS   9  -4.356  -2.902   0.348
   65    HB3  CYS   9           HB2      CYS   9  -4.833  -1.987   1.767
   66    H    ASP  10           H        ASP  10  -4.508  -4.889   0.026
   67    HA   ASP  10           HA       ASP  10  -2.141  -6.631  -0.060
   68    HB2  ASP  10           HB3      ASP  10  -4.359  -7.776   0.196
   69    HB3  ASP  10           HB2      ASP  10  -4.854  -7.078  -1.339
   70    HA   PRO  11           HA       PRO  11  -1.121  -4.262  -3.682
   71    HB2  PRO  11           HB3      PRO  11   0.510  -6.077  -4.936
   72    HB3  PRO  11           HB2      PRO  11   1.022  -5.024  -3.614
   73    HG2  PRO  11          2HG       PRO  11   0.253  -7.902  -3.551
   74    HG3  PRO  11          1HG       PRO  11   1.492  -7.017  -2.635
   75    HD2  PRO  11          2HD       PRO  11  -0.901  -7.751  -1.580
   76    HD3  PRO  11          1HD       PRO  11   0.017  -6.330  -1.041
   77    H    LYS  12           H        LYS  12  -2.481  -7.554  -4.018
   78    HA   LYS  12           HA       LYS  12  -2.893  -7.223  -6.807
   79    HB2  LYS  12           HB3      LYS  12  -3.803  -9.250  -4.801
   80    HB3  LYS  12           HB2      LYS  12  -3.930  -9.393  -6.541
   81    HG2  LYS  12          2HG       LYS  12  -1.363  -9.232  -4.961
   82    HG3  LYS  12          1HG       LYS  12  -2.044 -10.703  -5.646
   83    HD2  LYS  12          2HD       LYS  12  -1.144  -8.293  -7.236
   84    HD3  LYS  12          1HD       LYS  12  -0.209  -9.765  -6.996
   85    HE2  LYS  12          2HE       LYS  12  -1.944 -11.061  -8.119
   86    HE3  LYS  12          1HE       LYS  12  -2.903  -9.603  -8.336
   87    HZ1  LYS  12          1HZ       LYS  12  -1.231  -8.694  -9.748
   88    HZ2  LYS  12          2HZ       LYS  12  -1.616 -10.247 -10.312
   89    HZ3  LYS  12          3HZ       LYS  12  -0.196  -9.993  -9.460
   90    H    ASN  13           H        ASN  13  -4.421  -6.625  -3.833
   91    HA   ASN  13           HA       ASN  13  -6.801  -5.729  -5.270
   92    HB2  ASN  13           HB3      ASN  13  -7.407  -7.652  -3.838
   93    HB3  ASN  13           HB2      ASN  13  -6.710  -6.845  -2.443
   94   HD21  ASN  13          HD21      ASN  13  -8.697  -5.204  -4.894
   95   HD22  ASN  13          HD22      ASN  13 -10.013  -4.888  -3.834
   96    H    ASP  14           H        ASP  14  -5.209  -3.947  -5.465
   97    HA   ASP  14           HA       ASP  14  -4.558  -2.376  -3.242
   98    HB2  ASP  14           HB3      ASP  14  -3.214  -2.039  -5.139
   99    HB3  ASP  14           HB2      ASP  14  -4.636  -1.734  -6.156
  100    H    LYS  15           H        LYS  15  -5.484  -1.015  -2.251
  101    HA   LYS  15           HA       LYS  15  -8.029   0.179  -3.061
  102    HB2  LYS  15           HB3      LYS  15  -7.333  -1.179  -0.462
  103    HB3  LYS  15           HB2      LYS  15  -8.775  -0.216  -0.735
  104    HG2  LYS  15          2HG       LYS  15  -9.658  -1.807  -2.260
  105    HG3  LYS  15          1HG       LYS  15  -8.108  -2.630  -2.400
  106    HD2  LYS  15          2HD       LYS  15  -9.622  -3.942  -1.046
  107    HD3  LYS  15          1HD       LYS  15  -8.298  -3.341  -0.057
  108    HE2  LYS  15          2HE       LYS  15  -9.738  -1.575   0.807
  109    HE3  LYS  15          1HE       LYS  15 -11.062  -2.145  -0.211
  110    HZ1  LYS  15          1HZ       LYS  15 -11.252  -2.973   2.052
  111    HZ2  LYS  15          2HZ       LYS  15  -9.735  -3.703   1.929
  112    HZ3  LYS  15          3HZ       LYS  15 -10.999  -4.252   0.979
  113    H    CYS  16           H        CYS  16  -4.915   0.723  -2.464
  114    HA   CYS  16           HA       CYS  16  -5.215   2.705  -0.371
  115    HB2  CYS  16           HB3      CYS  16  -3.220   1.048  -0.454
  116    HB3  CYS  16           HB2      CYS  16  -2.670   1.975  -1.850
  117    H    CYS  17           H        CYS  17  -3.766   4.731  -0.992
  118    HA   CYS  17           HA       CYS  17  -5.108   5.941  -3.140
  119    HB2  CYS  17           HB3      CYS  17  -2.927   6.811  -1.279
  120    HB3  CYS  17           HB2      CYS  17  -3.773   7.882  -2.391
  121    H    LYS  18           H        LYS  18  -3.683   7.344  -4.556
  122    HA   LYS  18           HA       LYS  18  -1.867   5.695  -6.030
  123    HB2  LYS  18           HB3      LYS  18  -3.636   7.096  -7.076
  124    HB3  LYS  18           HB2      LYS  18  -2.863   8.540  -6.459
  125    HG2  LYS  18          2HG       LYS  18  -1.439   6.685  -8.360
  126    HG3  LYS  18          1HG       LYS  18  -2.598   7.860  -8.947
  127    HD2  LYS  18          2HD       LYS  18  -0.108   8.504  -7.355
  128    HD3  LYS  18          1HD       LYS  18  -0.280   8.677  -9.103
  129    HE2  LYS  18          2HE       LYS  18  -2.211  10.241  -8.641
  130    HE3  LYS  18          1HE       LYS  18  -1.749  10.185  -6.947
  131    HZ1  LYS  18          1HZ       LYS  18  -0.054  11.147  -9.176
  132    HZ2  LYS  18          2HZ       LYS  18   0.449  11.058  -7.580
  133    HZ3  LYS  18          3HZ       LYS  18  -0.795  12.100  -8.013
  134    H    ASN  19           H        ASN  19   0.188   6.447  -6.458
  135    HA   ASN  19           HA       ASN  19   2.318   7.251  -6.016
  136    HB2  ASN  19           HB3      ASN  19   1.519   9.546  -5.588
  137    HB3  ASN  19           HB2      ASN  19   0.964   9.069  -3.996
  138   HD21  ASN  19          HD21      ASN  19   3.724   9.869  -5.926
  139   HD22  ASN  19          HD22      ASN  19   4.833  10.051  -4.625
  140    H    TYR  20           H        TYR  20   0.318   6.485  -3.399
  141    HA   TYR  20           HA       TYR  20   2.412   5.128  -1.970
  142    HB2  TYR  20           HB3      TYR  20  -0.577   5.261  -1.495
  143    HB3  TYR  20           HB2      TYR  20   0.625   4.608  -0.406
  144    HD1  TYR  20          1HD       TYR  20   2.406   6.156   0.526
  145    HD2  TYR  20          2HD       TYR  20  -1.078   7.596  -1.430
  146    HE1  TYR  20          1HE       TYR  20   2.757   8.351   1.534
  147    HE2  TYR  20          2HE       TYR  20  -0.749   9.796  -0.423
  148    HH   TYR  20           HH       TYR  20   0.421  10.768   1.593
  149    H    THR  21           H        THR  21   2.103   2.790  -1.595
  150    HA   THR  21           HA       THR  21   0.393   1.416  -3.526
  151    HB   THR  21           HB       THR  21   3.262   0.640  -3.339
  152    HG1  THR  21          1HG       THR  21   2.099   2.764  -4.670
  153   HG21  THR  21          1HG2      THR  21   1.712  -0.952  -4.341
  154   HG22  THR  21          2HG2      THR  21   2.813  -0.340  -5.574
  155   HG23  THR  21          3HG2      THR  21   1.162   0.272  -5.484
  156    H    CYS  22           H        CYS  22  -0.184  -0.592  -2.764
  157    HA   CYS  22           HA       CYS  22   0.497  -1.322  -0.104
  158    HB2  CYS  22           HB3      CYS  22  -0.807  -2.783  -2.282
  159    HB3  CYS  22           HB2      CYS  22  -0.830  -3.276  -0.607
  160    H    SER  23           H        SER  23   2.434  -1.941   0.184
  161    HA   SER  23           HA       SER  23   4.174  -2.966  -1.681
  162    HB2  SER  23           HB3      SER  23   4.142  -2.698   1.303
  163    HB3  SER  23           HB2      SER  23   5.551  -2.882   0.255
  164    HG   SER  23           HG       SER  23   4.245  -0.910  -0.760
  165    H    ARG  24           H        ARG  24   4.522  -5.094  -2.112
  166    HA   ARG  24           HA       ARG  24   2.831  -7.120  -0.951
  167    HB2  ARG  24           HB3      ARG  24   4.005  -6.875  -3.370
  168    HB3  ARG  24           HB2      ARG  24   5.245  -7.805  -2.560
  169    HG2  ARG  24          2HG       ARG  24   2.383  -8.672  -3.041
  170    HG3  ARG  24          1HG       ARG  24   3.824  -9.251  -3.844
  171    HD2  ARG  24          2HD       ARG  24   4.603 -10.241  -1.761
  172    HD3  ARG  24          1HD       ARG  24   3.195  -9.587  -0.919
  173    HE   ARG  24           HE       ARG  24   2.348 -11.074  -3.126
  174   HH11  ARG  24          1HH1      ARG  24   3.866 -11.628   0.009
  175   HH12  ARG  24          2HH1      ARG  24   3.123 -13.133   0.261
  176   HH21  ARG  24          1HH2      ARG  24   1.328 -13.138  -2.790
  177   HH22  ARG  24          2HH2      ARG  24   1.634 -14.025  -1.379
  178    H    ARG  25           H        ARG  25   6.049  -6.024  -0.715
  179    HA   ARG  25           HA       ARG  25   7.288  -8.056   0.747
  180    HB2  ARG  25           HB3      ARG  25   8.513  -6.342  -0.424
  181    HB3  ARG  25           HB2      ARG  25   7.793  -5.103   0.568
  182    HG2  ARG  25          2HG       ARG  25   8.919  -5.867   2.501
  183    HG3  ARG  25          1HG       ARG  25   9.571  -7.257   1.627
  184    HD2  ARG  25          2HD       ARG  25  11.209  -5.383   1.936
  185    HD3  ARG  25          1HD       ARG  25  10.937  -5.832   0.258
  186    HE   ARG  25           HE       ARG  25   9.792  -3.844  -0.086
  187   HH11  ARG  25          1HH1      ARG  25  10.876  -4.007   3.289
  188   HH12  ARG  25          2HH1      ARG  25  10.911  -2.313   3.482
  189   HH21  ARG  25          1HH2      ARG  25   9.915  -1.527   0.204
  190   HH22  ARG  25          2HH2      ARG  25  10.385  -0.886   1.709
  191    H    ASP  26           H        ASP  26   5.893  -5.048   1.778
  192    HA   ASP  26           HA       ASP  26   6.189  -5.715   4.597
  193    HB2  ASP  26           HB3      ASP  26   4.889  -3.299   3.348
  194    HB3  ASP  26           HB2      ASP  26   5.343  -3.485   5.039
  195    H    ARG  27           H        ARG  27   3.724  -5.801   2.205
  196    HA   ARG  27           HA       ARG  27   1.676  -6.446   2.073
  197    HB2  ARG  27           HB3      ARG  27   1.917  -7.482   4.897
  198    HB3  ARG  27           HB2      ARG  27   0.690  -7.893   3.683
  199    HG2  ARG  27          2HG       ARG  27   2.416  -8.933   2.308
  200    HG3  ARG  27          1HG       ARG  27   3.611  -8.576   3.560
  201    HD2  ARG  27          2HD       ARG  27   2.900 -10.853   3.839
  202    HD3  ARG  27          1HD       ARG  27   2.225  -9.892   5.157
  203    HE   ARG  27           HE       ARG  27   0.608 -10.383   2.791
  204   HH11  ARG  27          1HH1      ARG  27   1.129 -10.987   6.254
  205   HH12  ARG  27          2HH1      ARG  27  -0.354 -11.761   6.498
  206   HH21  ARG  27          1HH2      ARG  27  -1.473 -11.482   3.139
  207   HH22  ARG  27          2HH2      ARG  27  -1.863 -12.036   4.700
  208    H    TRP  28           H        TRP  28   2.432  -3.839   3.171
  209    HA   TRP  28           HA       TRP  28  -0.263  -3.033   3.725
  210    HB2  TRP  28           HB3      TRP  28   0.313  -1.511   5.562
  211    HB3  TRP  28           HB2      TRP  28   0.762  -3.141   6.004
  212    HD1  TRP  28           HD       TRP  28   2.509   0.043   4.626
  213    HE1  TRP  28          1HE       TRP  28   4.824   0.222   5.728
  214    HE3  TRP  28          3HE       TRP  28   2.463  -4.263   7.329
  215    HZ2  TRP  28          2HZ       TRP  28   6.416  -1.245   7.503
  216    HZ3  TRP  28          3HZ       TRP  28   4.423  -4.807   8.725
  217    HH2  TRP  28           HH       TRP  28   6.362  -3.313   8.799
  218    H    CYS  29           H        CYS  29  -0.281  -0.468   3.544
  219    HA   CYS  29           HA       CYS  29   1.041   0.003   1.044
  220    HB2  CYS  29           HB3      CYS  29  -1.353   0.462   1.277
  221    HB3  CYS  29           HB2      CYS  29  -0.980   1.658   2.525
  222    H    LYS  30           H        LYS  30   2.580   1.493   0.679
  223    HA   LYS  30           HA       LYS  30   3.241   3.437   2.743
  224    HB2  LYS  30           HB3      LYS  30   5.502   2.135   1.311
  225    HB3  LYS  30           HB2      LYS  30   5.430   3.022   2.792
  226    HG2  LYS  30          2HG       LYS  30   4.399   1.098   3.928
  227    HG3  LYS  30          1HG       LYS  30   4.588   0.162   2.442
  228    HD2  LYS  30          2HD       LYS  30   6.797   1.369   4.121
  229    HD3  LYS  30          1HD       LYS  30   6.420  -0.340   3.951
  230    HE2  LYS  30          2HE       LYS  30   7.392   1.469   1.720
  231    HE3  LYS  30          1HE       LYS  30   8.385   0.343   2.630
  232    HZ1  LYS  30          1HZ       LYS  30   7.673  -0.529   0.471
  233    HZ2  LYS  30          2HZ       LYS  30   6.059  -0.500   0.958
  234    HZ3  LYS  30          3HZ       LYS  30   7.167  -1.473   1.764
  235    H    TYR  31           H        TYR  31   4.919   4.985   1.766
  236    HA   TYR  31           HA       TYR  31   4.177   5.875  -0.835
  237    HB2  TYR  31           HB3      TYR  31   5.025   7.489   0.790
  238    HB3  TYR  31           HB2      TYR  31   6.475   6.534   1.044
  239    HD1  TYR  31          1HD       TYR  31   4.790   8.884  -1.236
  240    HD2  TYR  31          2HD       TYR  31   8.342   6.676  -0.480
  241    HE1  TYR  31          1HE       TYR  31   5.981  10.227  -2.896
  242    HE2  TYR  31          2HE       TYR  31   9.537   8.000  -2.135
  243    HH   TYR  31           HH       TYR  31   9.021   9.354  -4.118
  244    H    ASP  32           H        ASP  32   4.810   4.834  -2.636
  245    HA   ASP  32           HA       ASP  32   7.508   3.731  -2.709
  246    HB2  ASP  32           HB3      ASP  32   6.016   1.910  -1.915
  247    HB3  ASP  32           HB2      ASP  32   5.143   2.019  -3.435
  248    H    LEU  33           H        LEU  33   4.702   3.363  -4.713
  249    HA   LEU  33           HA       LEU  33   6.099   4.839  -6.817
  250    HB2  LEU  33           HB3      LEU  33   6.514   2.429  -7.165
  251    HB3  LEU  33           HB2      LEU  33   4.791   2.146  -7.222
  252    HG   LEU  33           HG       LEU  33   4.631   3.466  -9.288
  253   HD11  LEU  33          HD11      LEU  33   6.464   5.013  -8.910
  254   HD12  LEU  33          HD12      LEU  33   6.668   4.168 -10.444
  255   HD13  LEU  33          HD13      LEU  33   7.626   3.693  -9.042
  256   HD21  LEU  33          HD21      LEU  33   6.750   1.322  -9.381
  257   HD22  LEU  33          HD22      LEU  33   5.816   1.906 -10.755
  258   HD23  LEU  33          HD23      LEU  33   5.010   1.057  -9.440
  259    HN1  NH2  34           HN1      NH2  34   3.091   3.016  -6.592
  260    HN2  NH2  34           HN2      NH2  34   2.056   4.316  -7.069
  Start of MODEL   13
    1    H1   ASP   1          1HT       ASP   1 -13.587   5.410  -0.276
    2    H2   ASP   1          2HT       ASP   1 -14.249   6.581   0.741
    3    H3   ASP   1          3HT       ASP   1 -13.387   5.270   1.368
    4    HA   ASP   1           HA       ASP   1 -12.154   7.273  -0.418
    5    HB2  ASP   1           HB3      ASP   1 -11.935   6.972   2.597
    6    HB3  ASP   1           HB2      ASP   1 -10.915   8.018   1.618
    7    H    CYS   2           H        CYS   2  -9.624   7.059   0.244
    8    HA   CYS   2           HA       CYS   2  -9.119   4.202  -0.109
    9    HB2  CYS   2           HB3      CYS   2  -6.953   4.782  -0.763
   10    HB3  CYS   2           HB2      CYS   2  -8.077   5.695  -1.773
   11    H    LEU   3           H        LEU   3  -6.751   3.809   0.736
   12    HA   LEU   3           HA       LEU   3  -6.927   4.110   3.609
   13    HB2  LEU   3           HB3      LEU   3  -5.158   2.475   1.868
   14    HB3  LEU   3           HB2      LEU   3  -5.432   2.278   3.591
   15    HG   LEU   3           HG       LEU   3  -7.417   1.840   1.405
   16   HD11  LEU   3          HD11      LEU   3  -7.197  -0.581   2.068
   17   HD12  LEU   3          HD12      LEU   3  -5.910  -0.119   3.181
   18   HD13  LEU   3          HD13      LEU   3  -5.693   0.097   1.444
   19   HD21  LEU   3          HD21      LEU   3  -7.665   1.339   4.381
   20   HD22  LEU   3          HD22      LEU   3  -8.846   0.830   3.175
   21   HD23  LEU   3          HD23      LEU   3  -8.539   2.545   3.435
   22    H    GLY   4           H        GLY   4  -5.171   5.047   4.713
   23    HA2  GLY   4          2HA       GLY   4  -3.210   6.470   3.189
   24    HA3  GLY   4          1HA       GLY   4  -3.317   6.352   4.954
   25    H    TRP   5           H        TRP   5  -0.812   5.877   3.741
   26    HA   TRP   5           HA       TRP   5  -0.755   3.141   3.351
   27    HB2  TRP   5           HB3      TRP   5   1.253   3.494   2.459
   28    HB3  TRP   5           HB2      TRP   5   0.554   5.052   2.220
   29    HD1  TRP   5           HD       TRP   5   3.466   3.380   3.616
   30    HE1  TRP   5          1HE       TRP   5   5.060   4.968   4.633
   31    HE3  TRP   5          3HE       TRP   5   0.370   7.426   3.819
   32    HZ2  TRP   5          2HZ       TRP   5   5.030   7.713   5.552
   33    HZ3  TRP   5          3HZ       TRP   5   1.232   9.488   4.811
   34    HH2  TRP   5           HH       TRP   5   3.514   9.628   5.655
   35    H    PHE   6           H        PHE   6   1.044   2.012   4.525
   36    HA   PHE   6           HA       PHE   6   1.686   0.926   6.295
   37    HB2  PHE   6           HB3      PHE   6   1.048   3.441   7.799
   38    HB3  PHE   6           HB2      PHE   6   1.321   1.932   8.661
   39    HD1  PHE   6          1HD       PHE   6   2.863   4.736   7.066
   40    HD2  PHE   6          2HD       PHE   6   3.503   0.727   8.295
   41    HE1  PHE   6          1HE       PHE   6   5.298   5.103   6.995
   42    HE2  PHE   6          2HE       PHE   6   5.934   1.080   8.225
   43    HZ   PHE   6           HZ       PHE   6   6.836   3.277   7.573
   44    H    LYS   7           H        LYS   7  -1.484   1.702   5.660
   45    HA   LYS   7           HA       LYS   7  -2.552  -0.042   7.656
   46    HB2  LYS   7           HB3      LYS   7  -3.884   1.127   5.238
   47    HB3  LYS   7           HB2      LYS   7  -4.638   0.516   6.690
   48    HG2  LYS   7          2HG       LYS   7  -2.903   2.961   6.604
   49    HG3  LYS   7          1HG       LYS   7  -4.654   2.995   6.533
   50    HD2  LYS   7          2HD       LYS   7  -4.709   1.905   8.766
   51    HD3  LYS   7          1HD       LYS   7  -2.941   1.953   8.805
   52    HE2  LYS   7          2HE       LYS   7  -3.015   4.396   8.629
   53    HE3  LYS   7          1HE       LYS   7  -4.769   4.348   8.611
   54    HZ1  LYS   7          1HZ       LYS   7  -2.993   3.548  10.830
   55    HZ2  LYS   7          2HZ       LYS   7  -4.666   3.335  10.846
   56    HZ3  LYS   7          3HZ       LYS   7  -4.008   4.883  10.775
   57    H    SER   8           H        SER   8  -3.392  -1.962   7.096
   58    HA   SER   8           HA       SER   8  -1.964  -3.451   5.170
   59    HB2  SER   8           HB3      SER   8  -4.257  -4.194   6.963
   60    HB3  SER   8           HB2      SER   8  -3.197  -5.291   6.080
   61    HG   SER   8           HG       SER   8  -1.636  -3.670   7.427
   62    H    CYS   9           H        CYS   9  -2.654  -4.317   3.235
   63    HA   CYS   9           HA       CYS   9  -5.328  -4.593   2.558
   64    HB2  CYS   9           HB3      CYS   9  -4.953  -3.334   0.417
   65    HB3  CYS   9           HB2      CYS   9  -5.342  -2.360   1.832
   66    H    ASP  10           H        ASP  10  -5.241  -5.293   0.150
   67    HA   ASP  10           HA       ASP  10  -3.157  -7.363   0.087
   68    HB2  ASP  10           HB3      ASP  10  -5.533  -8.087   0.102
   69    HB3  ASP  10           HB2      ASP  10  -5.786  -7.213  -1.401
   70    HA   PRO  11           HA       PRO  11  -1.228  -5.202  -3.269
   71    HB2  PRO  11           HB3      PRO  11  -0.095  -7.339  -4.577
   72    HB3  PRO  11           HB2      PRO  11   0.585  -6.575  -3.136
   73    HG2  PRO  11          2HG       PRO  11  -1.105  -9.030  -3.351
   74    HG3  PRO  11          1HG       PRO  11   0.350  -8.760  -2.374
   75    HD2  PRO  11          2HD       PRO  11  -2.079  -8.656  -1.283
   76    HD3  PRO  11          1HD       PRO  11  -0.808  -7.516  -0.783
   77    H    LYS  12           H        LYS  12  -3.416  -7.964  -4.016
   78    HA   LYS  12           HA       LYS  12  -3.593  -7.045  -6.720
   79    HB2  LYS  12           HB3      LYS  12  -4.411  -9.460  -5.209
   80    HB3  LYS  12           HB2      LYS  12  -5.238  -9.052  -6.692
   81    HG2  LYS  12          2HG       LYS  12  -3.474 -10.681  -7.117
   82    HG3  LYS  12          1HG       LYS  12  -3.069  -9.159  -7.896
   83    HD2  LYS  12          2HD       LYS  12  -1.548  -8.616  -6.068
   84    HD3  LYS  12          1HD       LYS  12  -1.981 -10.106  -5.242
   85    HE2  LYS  12          2HE       LYS  12   0.130 -10.358  -6.379
   86    HE3  LYS  12          1HE       LYS  12  -1.082 -11.397  -7.120
   87    HZ1  LYS  12          1HZ       LYS  12  -0.184  -8.768  -8.176
   88    HZ2  LYS  12          2HZ       LYS  12  -1.314  -9.774  -8.912
   89    HZ3  LYS  12          3HZ       LYS  12   0.286 -10.275  -8.747
   90    H    ASN  13           H        ASN  13  -5.038  -6.508  -3.774
   91    HA   ASN  13           HA       ASN  13  -7.365  -5.352  -5.123
   92    HB2  ASN  13           HB3      ASN  13  -8.024  -7.382  -3.748
   93    HB3  ASN  13           HB2      ASN  13  -7.410  -6.546  -2.333
   94   HD21  ASN  13          HD21      ASN  13 -10.051  -7.546  -2.921
   95   HD22  ASN  13          HD22      ASN  13 -11.134  -6.224  -2.747
   96    H    ASP  14           H        ASP  14  -5.860  -3.649  -5.266
   97    HA   ASP  14           HA       ASP  14  -4.875  -2.437  -2.860
   98    HB2  ASP  14           HB3      ASP  14  -3.638  -2.440  -4.990
   99    HB3  ASP  14           HB2      ASP  14  -4.850  -1.325  -5.654
  100    H    LYS  15           H        LYS  15  -5.685  -0.909  -1.842
  101    HA   LYS  15           HA       LYS  15  -8.075   0.534  -2.790
  102    HB2  LYS  15           HB3      LYS  15  -7.525  -0.592  -0.060
  103    HB3  LYS  15           HB2      LYS  15  -8.861   0.462  -0.464
  104    HG2  LYS  15          2HG       LYS  15  -9.723  -1.283  -1.986
  105    HG3  LYS  15          1HG       LYS  15  -8.384  -2.330  -1.501
  106    HD2  LYS  15          2HD       LYS  15  -9.151  -2.213   0.828
  107    HD3  LYS  15          1HD       LYS  15 -10.495  -1.191   0.328
  108    HE2  LYS  15          2HE       LYS  15  -9.996  -4.042  -0.514
  109    HE3  LYS  15          1HE       LYS  15 -11.226  -3.488   0.617
  110    HZ1  LYS  15          1HZ       LYS  15 -11.088  -2.918  -2.293
  111    HZ2  LYS  15          2HZ       LYS  15 -12.198  -2.189  -1.268
  112    HZ3  LYS  15          3HZ       LYS  15 -12.230  -3.858  -1.488
  113    H    CYS  16           H        CYS  16  -5.068   1.084  -2.503
  114    HA   CYS  16           HA       CYS  16  -5.156   3.142  -0.445
  115    HB2  CYS  16           HB3      CYS  16  -3.335   1.294  -0.614
  116    HB3  CYS  16           HB2      CYS  16  -2.739   2.208  -1.993
  117    H    CYS  17           H        CYS  17  -4.247   5.302  -1.131
  118    HA   CYS  17           HA       CYS  17  -5.355   5.992  -3.587
  119    HB2  CYS  17           HB3      CYS  17  -4.070   7.430  -1.375
  120    HB3  CYS  17           HB2      CYS  17  -4.083   8.238  -2.931
  121    H    LYS  18           H        LYS  18  -3.943   7.732  -4.840
  122    HA   LYS  18           HA       LYS  18  -2.429   6.107  -6.509
  123    HB2  LYS  18           HB3      LYS  18  -3.836   8.081  -7.127
  124    HB3  LYS  18           HB2      LYS  18  -2.531   9.115  -6.566
  125    HG2  LYS  18          2HG       LYS  18  -2.192   7.082  -8.784
  126    HG3  LYS  18          1HG       LYS  18  -2.740   8.715  -9.095
  127    HD2  LYS  18          2HD       LYS  18  -0.109   7.973  -7.826
  128    HD3  LYS  18          1HD       LYS  18  -0.325   8.372  -9.526
  129    HE2  LYS  18          2HE       LYS  18  -0.845  10.212  -7.181
  130    HE3  LYS  18          1HE       LYS  18   0.531  10.282  -8.271
  131    HZ1  LYS  18          1HZ       LYS  18  -2.306  10.741  -9.018
  132    HZ2  LYS  18          2HZ       LYS  18  -1.012  10.732 -10.103
  133    HZ3  LYS  18          3HZ       LYS  18  -1.092  11.902  -8.902
  134    H    ASN  19           H        ASN  19  -0.492   6.008  -6.912
  135    HA   ASN  19           HA       ASN  19   1.785   6.031  -6.907
  136    HB2  ASN  19           HB3      ASN  19   1.568   8.566  -6.817
  137    HB3  ASN  19           HB2      ASN  19   1.756   8.444  -5.079
  138   HD21  ASN  19          HD21      ASN  19   3.553   6.418  -7.358
  139   HD22  ASN  19          HD22      ASN  19   5.071   7.169  -7.051
  140    H    TYR  20           H        TYR  20   0.105   6.061  -3.990
  141    HA   TYR  20           HA       TYR  20   2.120   4.490  -2.650
  142    HB2  TYR  20           HB3      TYR  20  -0.753   5.150  -1.929
  143    HB3  TYR  20           HB2      TYR  20   0.374   4.250  -0.947
  144    HD1  TYR  20          1HD       TYR  20   2.173   5.327   0.228
  145    HD2  TYR  20          2HD       TYR  20  -0.585   7.605  -2.062
  146    HE1  TYR  20          1HE       TYR  20   2.917   7.350   1.373
  147    HE2  TYR  20          2HE       TYR  20   0.159   9.652  -0.918
  148    HH   TYR  20           HH       TYR  20   1.256  10.247   1.252
  149    H    THR  21           H        THR  21   1.498   2.247  -2.097
  150    HA   THR  21           HA       THR  21  -0.768   1.136  -3.376
  151    HB   THR  21           HB       THR  21   0.787   1.396  -5.163
  152    HG1  THR  21          1HG       THR  21  -0.756  -0.497  -4.795
  153   HG21  THR  21          1HG2      THR  21   2.758  -0.150  -5.402
  154   HG22  THR  21          2HG2      THR  21   2.503  -0.632  -3.726
  155   HG23  THR  21          3HG2      THR  21   2.931   1.035  -4.107
  156    H    CYS  22           H        CYS  22  -1.048  -0.990  -2.929
  157    HA   CYS  22           HA       CYS  22  -0.218  -1.773  -0.346
  158    HB2  CYS  22           HB3      CYS  22  -1.656  -3.209  -2.476
  159    HB3  CYS  22           HB2      CYS  22  -1.549  -3.735  -0.812
  160    H    SER  23           H        SER  23   1.553  -2.508   0.002
  161    HA   SER  23           HA       SER  23   3.265  -3.752  -1.944
  162    HB2  SER  23           HB3      SER  23   4.203  -2.028  -0.494
  163    HB3  SER  23           HB2      SER  23   3.650  -2.884   0.935
  164    HG   SER  23           HG       SER  23   5.876  -3.126   0.482
  165    H    ARG  24           H        ARG  24   3.658  -5.878  -1.993
  166    HA   ARG  24           HA       ARG  24   2.244  -7.609  -0.139
  167    HB2  ARG  24           HB3      ARG  24   2.558  -8.017  -2.698
  168    HB3  ARG  24           HB2      ARG  24   4.201  -8.469  -2.297
  169    HG2  ARG  24          2HG       ARG  24   1.737  -9.878  -1.234
  170    HG3  ARG  24          1HG       ARG  24   2.659 -10.393  -2.641
  171    HD2  ARG  24          2HD       ARG  24   3.663 -10.193   0.189
  172    HD3  ARG  24          1HD       ARG  24   3.240 -11.686  -0.654
  173    HE   ARG  24           HE       ARG  24   5.056 -10.810  -2.281
  174   HH11  ARG  24          1HH1      ARG  24   5.185 -10.659   1.258
  175   HH12  ARG  24          2HH1      ARG  24   6.884 -10.769   1.328
  176   HH21  ARG  24          1HH2      ARG  24   7.327 -10.918  -2.173
  177   HH22  ARG  24          2HH2      ARG  24   8.149 -10.913  -0.686
  178    H    ARG  25           H        ARG  25   5.321  -6.359  -0.840
  179    HA   ARG  25           HA       ARG  25   7.089  -7.966   0.589
  180    HB2  ARG  25           HB3      ARG  25   7.719  -6.284  -1.043
  181    HB3  ARG  25           HB2      ARG  25   7.070  -5.024  -0.021
  182    HG2  ARG  25          2HG       ARG  25   8.750  -5.631   1.677
  183    HG3  ARG  25          1HG       ARG  25   9.481  -6.716   0.481
  184    HD2  ARG  25          2HD       ARG  25  10.612  -4.536   0.458
  185    HD3  ARG  25          1HD       ARG  25   9.749  -4.818  -1.058
  186    HE   ARG  25           HE       ARG  25   8.403  -3.287   1.052
  187   HH11  ARG  25          1HH1      ARG  25   9.850  -3.254  -2.201
  188   HH12  ARG  25          2HH1      ARG  25   9.243  -1.691  -2.526
  189   HH21  ARG  25          1HH2      ARG  25   7.592  -1.290   0.530
  190   HH22  ARG  25          2HH2      ARG  25   7.946  -0.537  -0.986
  191    H    ASP  26           H        ASP  26   5.515  -4.938   1.459
  192    HA   ASP  26           HA       ASP  26   6.316  -5.181   4.255
  193    HB2  ASP  26           HB3      ASP  26   4.655  -3.050   2.888
  194    HB3  ASP  26           HB2      ASP  26   5.268  -2.976   4.533
  195    H    ARG  27           H        ARG  27   3.761  -6.008   2.273
  196    HA   ARG  27           HA       ARG  27   1.830  -6.901   2.433
  197    HB2  ARG  27           HB3      ARG  27   2.293  -7.164   5.388
  198    HB3  ARG  27           HB2      ARG  27   1.008  -7.919   4.438
  199    HG2  ARG  27          2HG       ARG  27   2.862  -9.019   3.099
  200    HG3  ARG  27          1HG       ARG  27   3.946  -8.513   4.399
  201    HD2  ARG  27          2HD       ARG  27   3.213 -10.761   4.843
  202    HD3  ARG  27          1HD       ARG  27   2.445  -9.684   6.012
  203    HE   ARG  27           HE       ARG  27   0.970 -10.241   3.596
  204   HH11  ARG  27          1HH1      ARG  27   1.421 -11.097   7.013
  205   HH12  ARG  27          2HH1      ARG  27  -0.110 -11.855   7.133
  206   HH21  ARG  27          1HH2      ARG  27  -1.140 -11.253   3.826
  207   HH22  ARG  27          2HH2      ARG  27  -1.576 -11.925   5.325
  208    H    TRP  28           H        TRP  28   2.391  -3.969   3.353
  209    HA   TRP  28           HA       TRP  28  -0.424  -3.407   3.504
  210    HB2  TRP  28           HB3      TRP  28  -0.036  -1.609   5.212
  211    HB3  TRP  28           HB2      TRP  28   0.179  -3.231   5.831
  212    HD1  TRP  28           HD       TRP  28   2.515  -0.436   4.437
  213    HE1  TRP  28          1HE       TRP  28   4.602  -0.364   5.950
  214    HE3  TRP  28          3HE       TRP  28   1.367  -4.250   7.631
  215    HZ2  TRP  28          2HZ       TRP  28   5.630  -1.731   8.185
  216    HZ3  TRP  28          3HZ       TRP  28   2.946  -4.796   9.434
  217    HH2  TRP  28           HH       TRP  28   5.035  -3.556   9.700
  218    H    CYS  29           H        CYS  29  -0.648  -0.862   3.195
  219    HA   CYS  29           HA       CYS  29   0.619  -0.412   0.716
  220    HB2  CYS  29           HB3      CYS  29  -1.644   0.347   0.965
  221    HB3  CYS  29           HB2      CYS  29  -1.208   1.362   2.342
  222    H    LYS  30           H        LYS  30   2.197   0.875   0.173
  223    HA   LYS  30           HA       LYS  30   3.156   2.885   1.968
  224    HB2  LYS  30           HB3      LYS  30   4.903   0.660   0.988
  225    HB3  LYS  30           HB2      LYS  30   5.543   2.252   1.269
  226    HG2  LYS  30          2HG       LYS  30   4.809   2.009   3.669
  227    HG3  LYS  30          1HG       LYS  30   4.356   0.340   3.272
  228    HD2  LYS  30          2HD       LYS  30   6.606  -0.178   2.650
  229    HD3  LYS  30          1HD       LYS  30   7.087   1.507   2.812
  230    HE2  LYS  30          2HE       LYS  30   6.683   1.401   5.210
  231    HE3  LYS  30          1HE       LYS  30   6.138  -0.270   5.047
  232    HZ1  LYS  30          1HZ       LYS  30   8.442  -0.158   5.768
  233    HZ2  LYS  30          2HZ       LYS  30   8.858   0.693   4.355
  234    HZ3  LYS  30          3HZ       LYS  30   8.267  -0.896   4.270
  235    H    TYR  31           H        TYR  31   5.070   4.037   0.808
  236    HA   TYR  31           HA       TYR  31   3.881   5.085  -1.580
  237    HB2  TYR  31           HB3      TYR  31   4.947   6.404   0.337
  238    HB3  TYR  31           HB2      TYR  31   6.488   5.791  -0.234
  239    HD1  TYR  31          1HD       TYR  31   3.521   7.714  -1.356
  240    HD2  TYR  31          2HD       TYR  31   7.684   7.030  -1.817
  241    HE1  TYR  31          1HE       TYR  31   3.669   9.663  -2.818
  242    HE2  TYR  31          2HE       TYR  31   7.848   8.978  -3.289
  243    HH   TYR  31           HH       TYR  31   6.281  10.269  -4.786
  244    H    ASP  32           H        ASP  32   4.607   4.608  -3.570
  245    HA   ASP  32           HA       ASP  32   6.093   2.290  -4.006
  246    HB2  ASP  32           HB3      ASP  32   4.541   3.116  -5.690
  247    HB3  ASP  32           HB2      ASP  32   5.582   4.503  -5.995
  248    H    LEU  33           H        LEU  33   7.134   5.566  -4.196
  249    HA   LEU  33           HA       LEU  33   9.865   4.658  -4.696
  250    HB2  LEU  33           HB3      LEU  33   8.799   7.490  -4.618
  251    HB3  LEU  33           HB2      LEU  33  10.468   7.080  -4.915
  252    HG   LEU  33           HG       LEU  33   9.582   5.802  -6.972
  253   HD11  LEU  33          HD11      LEU  33   7.195   7.549  -6.428
  254   HD12  LEU  33          HD12      LEU  33   7.238   5.785  -6.443
  255   HD13  LEU  33          HD13      LEU  33   7.514   6.687  -7.933
  256   HD21  LEU  33          HD21      LEU  33  10.894   7.832  -7.125
  257   HD22  LEU  33          HD22      LEU  33   9.453   8.810  -6.858
  258   HD23  LEU  33          HD23      LEU  33   9.603   7.846  -8.326
  259    HN1  NH2  34           HN1      NH2  34  10.030   3.690  -2.660
  260    HN2  NH2  34           HN2      NH2  34  10.439   4.608  -1.255
  Start of MODEL   14
    1    H1   ASP   1          1HT       ASP   1 -13.601   4.537  -0.527
    2    H2   ASP   1          2HT       ASP   1 -13.112   5.049  -2.027
    3    H3   ASP   1          3HT       ASP   1 -14.262   5.954  -1.192
    4    HA   ASP   1           HA       ASP   1 -12.106   7.028  -1.093
    5    HB2  ASP   1           HB3      ASP   1 -12.704   5.619   1.524
    6    HB3  ASP   1           HB2      ASP   1 -11.716   7.060   1.336
    7    H    CYS   2           H        CYS   2  -9.871   6.802  -0.097
    8    HA   CYS   2           HA       CYS   2  -9.014   4.044  -0.298
    9    HB2  CYS   2           HB3      CYS   2  -6.865   4.896  -1.093
   10    HB3  CYS   2           HB2      CYS   2  -8.164   4.938  -2.265
   11    H    LEU   3           H        LEU   3  -6.787   3.777   0.590
   12    HA   LEU   3           HA       LEU   3  -6.906   4.595   3.351
   13    HB2  LEU   3           HB3      LEU   3  -5.006   2.707   2.050
   14    HB3  LEU   3           HB2      LEU   3  -5.582   2.748   3.702
   15    HG   LEU   3           HG       LEU   3  -7.265   2.079   1.331
   16   HD11  LEU   3          HD11      LEU   3  -5.932   0.266   3.374
   17   HD12  LEU   3          HD12      LEU   3  -5.545   0.371   1.654
   18   HD13  LEU   3          HD13      LEU   3  -7.102  -0.272   2.173
   19   HD21  LEU   3          HD21      LEU   3  -7.790   1.783   4.292
   20   HD22  LEU   3          HD22      LEU   3  -8.849   1.184   3.016
   21   HD23  LEU   3          HD23      LEU   3  -8.574   2.918   3.193
   22    H    GLY   4           H        GLY   4  -5.115   5.575   4.382
   23    HA2  GLY   4          2HA       GLY   4  -3.165   6.931   2.783
   24    HA3  GLY   4          1HA       GLY   4  -3.263   6.899   4.553
   25    H    TRP   5           H        TRP   5  -0.701   6.469   3.724
   26    HA   TRP   5           HA       TRP   5  -0.537   3.765   3.122
   27    HB2  TRP   5           HB3      TRP   5   1.528   4.156   2.448
   28    HB3  TRP   5           HB2      TRP   5   0.858   5.724   2.226
   29    HD1  TRP   5           HD       TRP   5   3.556   3.890   4.080
   30    HE1  TRP   5          1HE       TRP   5   5.140   5.508   5.148
   31    HE3  TRP   5          3HE       TRP   5   0.762   8.113   3.500
   32    HZ2  TRP   5          2HZ       TRP   5   5.189   8.319   5.779
   33    HZ3  TRP   5          3HZ       TRP   5   1.647  10.237   4.382
   34    HH2  TRP   5           HH       TRP   5   3.811  10.332   5.492
   35    H    PHE   6           H        PHE   6   1.284   2.666   4.262
   36    HA   PHE   6           HA       PHE   6   2.026   1.471   5.959
   37    HB2  PHE   6           HB3      PHE   6   2.404   3.842   6.977
   38    HB3  PHE   6           HB2      PHE   6   1.002   3.477   7.968
   39    HD1  PHE   6          1HD       PHE   6   1.225   2.130   9.910
   40    HD2  PHE   6          2HD       PHE   6   4.418   2.403   7.116
   41    HE1  PHE   6          1HE       PHE   6   2.718   1.020  11.511
   42    HE2  PHE   6          2HE       PHE   6   5.911   1.290   8.705
   43    HZ   PHE   6           HZ       PHE   6   5.082   0.597  10.893
   44    H    LYS   7           H        LYS   7  -1.100   2.016   5.234
   45    HA   LYS   7           HA       LYS   7  -2.221   0.308   7.209
   46    HB2  LYS   7           HB3      LYS   7  -3.370   1.431   4.681
   47    HB3  LYS   7           HB2      LYS   7  -4.258   0.698   5.994
   48    HG2  LYS   7          2HG       LYS   7  -2.647   3.214   6.234
   49    HG3  LYS   7          1HG       LYS   7  -4.381   3.179   5.989
   50    HD2  LYS   7          2HD       LYS   7  -2.874   2.009   8.351
   51    HD3  LYS   7          1HD       LYS   7  -3.745   3.536   8.361
   52    HE2  LYS   7          2HE       LYS   7  -5.002   0.822   7.895
   53    HE3  LYS   7          1HE       LYS   7  -5.004   1.699   9.417
   54    HZ1  LYS   7          1HZ       LYS   7  -6.260   2.662   6.902
   55    HZ2  LYS   7          2HZ       LYS   7  -6.271   3.446   8.394
   56    HZ3  LYS   7          3HZ       LYS   7  -7.055   1.979   8.219
   57    H    SER   8           H        SER   8  -3.042  -1.579   6.690
   58    HA   SER   8           HA       SER   8  -1.487  -3.390   5.297
   59    HB2  SER   8           HB3      SER   8  -4.315  -3.703   6.226
   60    HB3  SER   8           HB2      SER   8  -3.062  -4.939   6.074
   61    HG   SER   8           HG       SER   8  -2.168  -4.296   7.895
   62    H    CYS   9           H        CYS   9  -1.714  -4.362   3.281
   63    HA   CYS   9           HA       CYS   9  -4.083  -3.937   1.762
   64    HB2  CYS   9           HB3      CYS   9  -2.721  -3.104  -0.106
   65    HB3  CYS   9           HB2      CYS   9  -2.887  -1.959   1.225
   66    H    ASP  10           H        ASP  10  -3.520  -4.805  -0.493
   67    HA   ASP  10           HA       ASP  10  -1.666  -7.063  -0.516
   68    HB2  ASP  10           HB3      ASP  10  -3.975  -7.947  -0.200
   69    HB3  ASP  10           HB2      ASP  10  -4.493  -7.051  -1.623
   70    HA   PRO  11           HA       PRO  11  -0.286  -4.628  -3.934
   71    HB2  PRO  11           HB3      PRO  11   1.069  -6.539  -5.343
   72    HB3  PRO  11           HB2      PRO  11   1.699  -5.754  -3.889
   73    HG2  PRO  11          2HG       PRO  11   0.263  -8.361  -4.152
   74    HG3  PRO  11          1HG       PRO  11   1.758  -8.013  -3.257
   75    HD2  PRO  11          2HD       PRO  11  -0.561  -8.197  -1.985
   76    HD3  PRO  11          1HD       PRO  11   0.588  -6.912  -1.544
   77    H    LYS  12           H        LYS  12  -2.206  -7.558  -4.590
   78    HA   LYS  12           HA       LYS  12  -2.567  -6.767  -7.301
   79    HB2  LYS  12           HB3      LYS  12  -2.371  -9.139  -6.430
   80    HB3  LYS  12           HB2      LYS  12  -3.981  -8.933  -5.770
   81    HG2  LYS  12          2HG       LYS  12  -4.093 -10.087  -7.890
   82    HG3  LYS  12          1HG       LYS  12  -4.840  -8.487  -8.028
   83    HD2  LYS  12          2HD       LYS  12  -2.796  -7.599  -8.936
   84    HD3  LYS  12          1HD       LYS  12  -2.028  -9.166  -8.768
   85    HE2  LYS  12          2HE       LYS  12  -3.684 -10.114 -10.367
   86    HE3  LYS  12          1HE       LYS  12  -4.402  -8.516 -10.532
   87    HZ1  LYS  12          1HZ       LYS  12  -2.877  -8.989 -12.359
   88    HZ2  LYS  12          2HZ       LYS  12  -1.614  -9.221 -11.286
   89    HZ3  LYS  12          3HZ       LYS  12  -2.313  -7.704 -11.435
   90    H    ASN  13           H        ASN  13  -3.976  -6.291  -4.256
   91    HA   ASN  13           HA       ASN  13  -6.331  -5.073  -5.521
   92    HB2  ASN  13           HB3      ASN  13  -7.011  -7.185  -4.415
   93    HB3  ASN  13           HB2      ASN  13  -6.362  -6.583  -2.893
   94   HD21  ASN  13          HD21      ASN  13  -8.262  -6.582  -1.807
   95   HD22  ASN  13          HD22      ASN  13  -9.612  -5.586  -2.191
   96    H    ASP  14           H        ASP  14  -4.905  -3.255  -5.421
   97    HA   ASP  14           HA       ASP  14  -4.162  -2.230  -2.840
   98    HB2  ASP  14           HB3      ASP  14  -2.830  -1.898  -4.891
   99    HB3  ASP  14           HB2      ASP  14  -4.124  -0.852  -5.509
  100    H    LYS  15           H        LYS  15  -5.147  -0.759  -1.761
  101    HA   LYS  15           HA       LYS  15  -7.650   0.392  -2.757
  102    HB2  LYS  15           HB3      LYS  15  -7.117  -0.958  -0.123
  103    HB3  LYS  15           HB2      LYS  15  -8.488   0.100  -0.407
  104    HG2  LYS  15          2HG       LYS  15  -9.332  -1.420  -2.123
  105    HG3  LYS  15          1HG       LYS  15  -7.904  -2.437  -1.947
  106    HD2  LYS  15          2HD       LYS  15  -9.842  -3.396  -0.784
  107    HD3  LYS  15          1HD       LYS  15  -8.558  -2.978   0.346
  108    HE2  LYS  15          2HE       LYS  15 -10.752  -2.350   1.220
  109    HE3  LYS  15          1HE       LYS  15  -9.752  -0.930   0.955
  110    HZ1  LYS  15          1HZ       LYS  15 -11.973  -0.546   0.194
  111    HZ2  LYS  15          2HZ       LYS  15 -11.957  -1.880  -0.816
  112    HZ3  LYS  15          3HZ       LYS  15 -10.973  -0.555  -1.142
  113    H    CYS  16           H        CYS  16  -4.719   1.206  -2.174
  114    HA   CYS  16           HA       CYS  16  -5.156   3.196  -0.119
  115    HB2  CYS  16           HB3      CYS  16  -2.646   2.247  -1.517
  116    HB3  CYS  16           HB2      CYS  16  -2.697   3.473  -0.256
  117    H    CYS  17           H        CYS  17  -4.119   5.398  -0.650
  118    HA   CYS  17           HA       CYS  17  -5.234   6.303  -3.045
  119    HB2  CYS  17           HB3      CYS  17  -3.536   7.625  -0.937
  120    HB3  CYS  17           HB2      CYS  17  -4.444   8.453  -2.192
  121    H    LYS  18           H        LYS  18  -3.683   7.901  -4.356
  122    HA   LYS  18           HA       LYS  18  -1.814   6.281  -5.545
  123    HB2  LYS  18           HB3      LYS  18  -2.767   9.075  -5.759
  124    HB3  LYS  18           HB2      LYS  18  -1.608   8.335  -6.819
  125    HG2  LYS  18          2HG       LYS  18  -4.494   7.508  -6.454
  126    HG3  LYS  18          1HG       LYS  18  -3.841   8.384  -7.833
  127    HD2  LYS  18          2HD       LYS  18  -3.918   6.239  -8.701
  128    HD3  LYS  18          1HD       LYS  18  -2.294   6.250  -8.034
  129    HE2  LYS  18          2HE       LYS  18  -3.160   5.072  -5.991
  130    HE3  LYS  18          1HE       LYS  18  -4.752   5.093  -6.724
  131    HZ1  LYS  18          1HZ       LYS  18  -4.003   3.724  -8.473
  132    HZ2  LYS  18          2HZ       LYS  18  -3.562   2.985  -7.009
  133    HZ3  LYS  18          3HZ       LYS  18  -2.404   3.792  -7.946
  134    H    ASN  19           H        ASN  19   0.236   7.192  -6.077
  135    HA   ASN  19           HA       ASN  19   2.320   7.794  -5.606
  136    HB2  ASN  19           HB3      ASN  19   1.171   9.370  -3.276
  137    HB3  ASN  19           HB2      ASN  19   2.881   9.349  -3.699
  138   HD21  ASN  19          HD21      ASN  19   0.927  11.549  -3.648
  139   HD22  ASN  19          HD22      ASN  19   0.970  12.237  -5.229
  140    H    TYR  20           H        TYR  20   0.416   6.597  -3.088
  141    HA   TYR  20           HA       TYR  20   2.582   5.159  -1.870
  142    HB2  TYR  20           HB3      TYR  20  -0.359   4.766  -1.384
  143    HB3  TYR  20           HB2      TYR  20   0.996   4.467  -0.309
  144    HD1  TYR  20          1HD       TYR  20   2.464   6.763   0.101
  145    HD2  TYR  20          2HD       TYR  20  -1.674   6.521  -0.804
  146    HE1  TYR  20          1HE       TYR  20   2.125   8.977   1.092
  147    HE2  TYR  20          2HE       TYR  20  -2.034   8.732   0.181
  148    HH   TYR  20           HH       TYR  20   0.564  10.808   0.971
  149    H    THR  21           H        THR  21   2.740   2.945  -2.035
  150    HA   THR  21           HA       THR  21   0.976   1.560  -3.888
  151    HB   THR  21           HB       THR  21   3.982   1.326  -3.968
  152    HG1  THR  21          1HG       THR  21   2.267   3.150  -5.037
  153   HG21  THR  21          1HG2      THR  21   1.839   0.415  -5.902
  154   HG22  THR  21          2HG2      THR  21   2.751  -0.626  -4.809
  155   HG23  THR  21          3HG2      THR  21   3.575   0.199  -6.133
  156    H    CYS  22           H        CYS  22   0.913  -0.635  -3.416
  157    HA   CYS  22           HA       CYS  22   1.292  -1.178  -0.633
  158    HB2  CYS  22           HB3      CYS  22  -0.730  -1.842  -1.752
  159    HB3  CYS  22           HB2      CYS  22   0.206  -2.917  -2.811
  160    H    SER  23           H        SER  23   2.680  -2.424   0.277
  161    HA   SER  23           HA       SER  23   4.730  -3.676  -1.388
  162    HB2  SER  23           HB3      SER  23   5.529  -2.099   0.349
  163    HB3  SER  23           HB2      SER  23   4.693  -3.041   1.575
  164    HG   SER  23           HG       SER  23   6.803  -3.927  -0.088
  165    H    ARG  24           H        ARG  24   4.875  -5.880  -1.363
  166    HA   ARG  24           HA       ARG  24   2.874  -7.294   0.199
  167    HB2  ARG  24           HB3      ARG  24   3.619  -7.711  -2.324
  168    HB3  ARG  24           HB2      ARG  24   4.851  -8.699  -1.564
  169    HG2  ARG  24          2HG       ARG  24   1.889  -9.069  -1.125
  170    HG3  ARG  24          1HG       ARG  24   2.813  -9.939  -2.336
  171    HD2  ARG  24          2HD       ARG  24   4.132 -10.988  -0.617
  172    HD3  ARG  24          1HD       ARG  24   3.343 -10.007   0.626
  173    HE   ARG  24           HE       ARG  24   1.279 -11.218  -0.532
  174   HH11  ARG  24          1HH1      ARG  24   4.317 -12.568   0.602
  175   HH12  ARG  24          2HH1      ARG  24   3.662 -14.047   1.107
  176   HH21  ARG  24          1HH2      ARG  24   0.342 -13.228   0.160
  177   HH22  ARG  24          2HH2      ARG  24   1.334 -14.416   0.889
  178    H    ARG  25           H        ARG  25   6.160  -6.475   0.204
  179    HA   ARG  25           HA       ARG  25   7.112  -8.541   1.903
  180    HB2  ARG  25           HB3      ARG  25   8.584  -7.267   0.435
  181    HB3  ARG  25           HB2      ARG  25   8.148  -5.790   1.258
  182    HG2  ARG  25          2HG       ARG  25  10.302  -6.446   2.001
  183    HG3  ARG  25          1HG       ARG  25   9.120  -6.652   3.300
  184    HD2  ARG  25          2HD       ARG  25  10.046  -8.913   1.534
  185    HD3  ARG  25          1HD       ARG  25  10.848  -8.527   3.054
  186    HE   ARG  25           HE       ARG  25   8.515  -8.928   4.028
  187   HH11  ARG  25          1HH1      ARG  25   9.843 -10.717   1.270
  188   HH12  ARG  25          2HH1      ARG  25   8.890 -12.103   1.525
  189   HH21  ARG  25          1HH2      ARG  25   7.254 -10.861   4.409
  190   HH22  ARG  25          2HH2      ARG  25   7.391 -12.197   3.364
  191    H    ASP  26           H        ASP  26   6.383  -5.115   2.330
  192    HA   ASP  26           HA       ASP  26   6.375  -5.384   5.195
  193    HB2  ASP  26           HB3      ASP  26   5.726  -3.040   3.396
  194    HB3  ASP  26           HB2      ASP  26   5.609  -2.964   5.147
  195    H    ARG  27           H        ARG  27   4.069  -5.656   2.668
  196    HA   ARG  27           HA       ARG  27   1.978  -6.171   2.545
  197    HB2  ARG  27           HB3      ARG  27   2.208  -6.763   5.482
  198    HB3  ARG  27           HB2      ARG  27   0.774  -7.030   4.490
  199    HG2  ARG  27          2HG       ARG  27   2.023  -8.555   3.063
  200    HG3  ARG  27          1HG       ARG  27   3.455  -8.304   4.062
  201    HD2  ARG  27          2HD       ARG  27   2.259 -10.363   4.655
  202    HD3  ARG  27          1HD       ARG  27   2.319  -9.198   5.981
  203    HE   ARG  27           HE       ARG  27  -0.027  -9.066   4.327
  204   HH11  ARG  27          1HH1      ARG  27   1.422 -10.565   7.184
  205   HH12  ARG  27          2HH1      ARG  27  -0.044 -10.768   8.019
  206   HH21  ARG  27          1HH2      ARG  27  -2.079  -9.361   5.483
  207   HH22  ARG  27          2HH2      ARG  27  -2.066 -10.062   7.038
  208    H    TRP  28           H        TRP  28   2.915  -3.471   3.494
  209    HA   TRP  28           HA       TRP  28   0.242  -2.407   3.625
  210    HB2  TRP  28           HB3      TRP  28   0.943  -0.642   5.245
  211    HB3  TRP  28           HB2      TRP  28   0.915  -2.246   5.941
  212    HD1  TRP  28           HD       TRP  28   3.594   0.149   4.436
  213    HE1  TRP  28          1HE       TRP  28   5.733  -0.070   5.887
  214    HE3  TRP  28          3HE       TRP  28   2.007  -3.422   7.714
  215    HZ2  TRP  28          2HZ       TRP  28   6.609  -1.556   8.111
  216    HZ3  TRP  28          3HZ       TRP  28   3.547  -4.181   9.478
  217    HH2  TRP  28           HH       TRP  28   5.801  -3.261   9.665
  218    H    CYS  29           H        CYS  29   0.094  -0.192   2.887
  219    HA   CYS  29           HA       CYS  29   1.643   0.184   0.582
  220    HB2  CYS  29           HB3      CYS  29  -0.473   1.749   1.994
  221    HB3  CYS  29           HB2      CYS  29   0.243   2.248   0.467
  222    H    LYS  30           H        LYS  30   3.301   1.550   0.250
  223    HA   LYS  30           HA       LYS  30   3.882   3.560   2.285
  224    HB2  LYS  30           HB3      LYS  30   6.006   1.980   0.855
  225    HB3  LYS  30           HB2      LYS  30   6.196   3.164   2.107
  226    HG2  LYS  30          2HG       LYS  30   5.215   1.721   3.759
  227    HG3  LYS  30          1HG       LYS  30   4.847   0.514   2.528
  228    HD2  LYS  30          2HD       LYS  30   7.601   1.417   3.367
  229    HD3  LYS  30          1HD       LYS  30   6.823  -0.104   3.810
  230    HE2  LYS  30          2HE       LYS  30   6.725  -0.702   1.408
  231    HE3  LYS  30          1HE       LYS  30   7.608   0.774   1.027
  232    HZ1  LYS  30          1HZ       LYS  30   8.561  -1.528   2.614
  233    HZ2  LYS  30          2HZ       LYS  30   9.374  -0.063   2.522
  234    HZ3  LYS  30          3HZ       LYS  30   9.166  -0.981   1.123
  235    H    TYR  31           H        TYR  31   5.614   5.093   1.218
  236    HA   TYR  31           HA       TYR  31   4.296   6.015  -1.161
  237    HB2  TYR  31           HB3      TYR  31   5.084   7.525   0.692
  238    HB3  TYR  31           HB2      TYR  31   6.735   7.131   0.246
  239    HD1  TYR  31          1HD       TYR  31   7.632   7.914  -1.965
  240    HD2  TYR  31          2HD       TYR  31   3.806   9.089  -0.532
  241    HE1  TYR  31          1HE       TYR  31   7.598   9.757  -3.576
  242    HE2  TYR  31          2HE       TYR  31   3.763  10.926  -2.136
  243    HH   TYR  31           HH       TYR  31   5.394  12.282  -3.367
  244    H    ASP  32           H        ASP  32   4.885   5.385  -3.106
  245    HA   ASP  32           HA       ASP  32   7.636   4.397  -3.474
  246    HB2  ASP  32           HB3      ASP  32   6.065   2.529  -3.623
  247    HB3  ASP  32           HB2      ASP  32   5.151   3.382  -4.860
  248    H    LEU  33           H        LEU  33   4.972   5.490  -5.404
  249    HA   LEU  33           HA       LEU  33   6.514   7.635  -6.519
  250    HB2  LEU  33           HB3      LEU  33   7.150   5.457  -7.823
  251    HB3  LEU  33           HB2      LEU  33   5.544   5.572  -8.494
  252    HG   LEU  33           HG       LEU  33   7.668   7.709  -8.820
  253   HD11  LEU  33          HD11      LEU  33   8.375   5.661  -9.893
  254   HD12  LEU  33          HD12      LEU  33   7.934   6.877 -11.092
  255   HD13  LEU  33          HD13      LEU  33   6.831   5.549 -10.739
  256   HD21  LEU  33          HD21      LEU  33   6.232   8.537 -10.637
  257   HD22  LEU  33          HD22      LEU  33   5.387   8.569  -9.090
  258   HD23  LEU  33          HD23      LEU  33   5.034   7.298 -10.257
  259    HN1  NH2  34           HN1      NH2  34   5.042   9.091  -6.254
  260    HN2  NH2  34           HN2      NH2  34   3.364   8.972  -6.644
  Start of MODEL   15
    1    H1   ASP   1          1HT       ASP   1 -13.417   5.458   0.267
    2    H2   ASP   1          2HT       ASP   1 -12.897   6.158  -1.142
    3    H3   ASP   1          3HT       ASP   1 -13.805   7.076  -0.055
    4    HA   ASP   1           HA       ASP   1 -11.447   7.648   0.054
    5    HB2  ASP   1           HB3      ASP   1 -12.381   6.016   2.423
    6    HB3  ASP   1           HB2      ASP   1 -10.978   7.064   2.443
    7    H    CYS   2           H        CYS   2  -9.280   6.861   0.674
    8    HA   CYS   2           HA       CYS   2  -8.960   4.055  -0.139
    9    HB2  CYS   2           HB3      CYS   2  -6.739   4.641  -0.769
   10    HB3  CYS   2           HB2      CYS   2  -7.879   5.616  -1.701
   11    H    LEU   3           H        LEU   3  -6.568   3.530   0.656
   12    HA   LEU   3           HA       LEU   3  -6.639   3.679   3.522
   13    HB2  LEU   3           HB3      LEU   3  -4.586   2.411   1.756
   14    HB3  LEU   3           HB2      LEU   3  -4.973   2.071   3.424
   15    HG   LEU   3           HG       LEU   3  -6.698   1.490   1.074
   16   HD11  LEU   3          HD11      LEU   3  -4.736   0.049   1.124
   17   HD12  LEU   3          HD12      LEU   3  -6.127  -0.909   1.648
   18   HD13  LEU   3          HD13      LEU   3  -4.985  -0.294   2.834
   19   HD21  LEU   3          HD21      LEU   3  -8.026   1.893   3.055
   20   HD22  LEU   3          HD22      LEU   3  -7.046   0.757   3.983
   21   HD23  LEU   3          HD23      LEU   3  -8.062   0.175   2.663
   22    H    GLY   4           H        GLY   4  -5.029   4.782   4.648
   23    HA2  GLY   4          2HA       GLY   4  -3.237   6.412   3.103
   24    HA3  GLY   4          1HA       GLY   4  -3.397   6.429   4.875
   25    H    TRP   5           H        TRP   5  -0.750   6.110   3.968
   26    HA   TRP   5           HA       TRP   5  -0.510   3.404   3.499
   27    HB2  TRP   5           HB3      TRP   5   1.549   3.839   2.845
   28    HB3  TRP   5           HB2      TRP   5   0.873   5.404   2.643
   29    HD1  TRP   5           HD       TRP   5   3.668   3.634   4.288
   30    HE1  TRP   5          1HE       TRP   5   5.145   5.199   5.510
   31    HE3  TRP   5          3HE       TRP   5   0.574   7.707   4.266
   32    HZ2  TRP   5          2HZ       TRP   5   5.035   7.914   6.473
   33    HZ3  TRP   5          3HZ       TRP   5   1.348   9.753   5.386
   34    HH2  TRP   5           HH       TRP   5   3.528   9.852   6.462
   35    H    PHE   6           H        PHE   6   1.147   2.254   4.720
   36    HA   PHE   6           HA       PHE   6   1.692   1.036   6.463
   37    HB2  PHE   6           HB3      PHE   6   0.801   3.387   8.125
   38    HB3  PHE   6           HB2      PHE   6   1.203   1.833   8.843
   39    HD1  PHE   6          1HD       PHE   6   3.520   0.869   7.796
   40    HD2  PHE   6          2HD       PHE   6   2.485   4.964   8.265
   41    HE1  PHE   6          1HE       PHE   6   5.902   1.454   7.878
   42    HE2  PHE   6          2HE       PHE   6   4.870   5.555   8.337
   43    HZ   PHE   6           HZ       PHE   6   6.588   3.775   8.143
   44    H    LYS   7           H        LYS   7  -1.363   1.664   5.477
   45    HA   LYS   7           HA       LYS   7  -2.574  -0.130   7.352
   46    HB2  LYS   7           HB3      LYS   7  -3.730   1.132   4.910
   47    HB3  LYS   7           HB2      LYS   7  -4.576   0.426   6.263
   48    HG2  LYS   7          2HG       LYS   7  -2.865   2.857   6.509
   49    HG3  LYS   7          1HG       LYS   7  -4.597   2.921   6.256
   50    HD2  LYS   7          2HD       LYS   7  -4.868   1.607   8.371
   51    HD3  LYS   7          1HD       LYS   7  -3.117   1.688   8.583
   52    HE2  LYS   7          2HE       LYS   7  -4.962   4.045   8.386
   53    HE3  LYS   7          1HE       LYS   7  -4.317   3.391   9.893
   54    HZ1  LYS   7          1HZ       LYS   7  -2.074   3.985   9.124
   55    HZ2  LYS   7          2HZ       LYS   7  -3.081   5.325   9.116
   56    HZ3  LYS   7          3HZ       LYS   7  -2.707   4.589   7.679
   57    H    SER   8           H        SER   8  -3.260  -2.026   6.731
   58    HA   SER   8           HA       SER   8  -1.661  -3.477   4.951
   59    HB2  SER   8           HB3      SER   8  -4.146  -4.299   6.429
   60    HB3  SER   8           HB2      SER   8  -2.855  -5.335   5.817
   61    HG   SER   8           HG       SER   8  -2.663  -4.872   8.064
   62    H    CYS   9           H        CYS   9  -2.241  -4.531   3.025
   63    HA   CYS   9           HA       CYS   9  -4.790  -3.932   1.918
   64    HB2  CYS   9           HB3      CYS   9  -3.591  -3.034  -0.123
   65    HB3  CYS   9           HB2      CYS   9  -3.745  -1.967   1.274
   66    H    ASP  10           H        ASP  10  -4.632  -4.638  -0.512
   67    HA   ASP  10           HA       ASP  10  -3.301  -7.256  -0.771
   68    HB2  ASP  10           HB3      ASP  10  -5.818  -7.288  -0.647
   69    HB3  ASP  10           HB2      ASP  10  -5.850  -6.232  -2.049
   70    HA   PRO  11           HA       PRO  11  -1.299  -4.894  -3.998
   71    HB2  PRO  11           HB3      PRO  11   0.211  -6.891  -5.020
   72    HB3  PRO  11           HB2      PRO  11   0.628  -6.047  -3.518
   73    HG2  PRO  11          2HG       PRO  11  -0.636  -8.722  -3.926
   74    HG3  PRO  11          1HG       PRO  11   0.530  -8.210  -2.696
   75    HD2  PRO  11          2HD       PRO  11  -2.168  -8.483  -2.259
   76    HD3  PRO  11          1HD       PRO  11  -1.108  -7.413  -1.320
   77    H    LYS  12           H        LYS  12  -3.191  -7.813  -4.600
   78    HA   LYS  12           HA       LYS  12  -2.994  -7.683  -7.413
   79    HB2  LYS  12           HB3      LYS  12  -4.806  -9.174  -5.531
   80    HB3  LYS  12           HB2      LYS  12  -4.625  -9.474  -7.247
   81    HG2  LYS  12          2HG       LYS  12  -2.305 -10.160  -6.888
   82    HG3  LYS  12          1HG       LYS  12  -2.470  -9.810  -5.166
   83    HD2  LYS  12          2HD       LYS  12  -4.249 -11.501  -5.012
   84    HD3  LYS  12          1HD       LYS  12  -4.032 -11.869  -6.724
   85    HE2  LYS  12          2HE       LYS  12  -2.871 -13.518  -5.393
   86    HE3  LYS  12          1HE       LYS  12  -1.702 -12.520  -6.253
   87    HZ1  LYS  12          1HZ       LYS  12  -1.084 -12.955  -3.955
   88    HZ2  LYS  12          2HZ       LYS  12  -2.455 -12.154  -3.394
   89    HZ3  LYS  12          3HZ       LYS  12  -1.247 -11.312  -4.225
   90    H    ASN  13           H        ASN  13  -4.972  -6.453  -4.854
   91    HA   ASN  13           HA       ASN  13  -6.206  -4.690  -6.754
   92    HB2  ASN  13           HB3      ASN  13  -7.787  -6.614  -6.506
   93    HB3  ASN  13           HB2      ASN  13  -7.941  -6.220  -4.806
   94   HD21  ASN  13          HD21      ASN  13  -9.883  -6.155  -7.092
   95   HD22  ASN  13          HD22      ASN  13 -10.583  -4.574  -7.033
   96    H    ASP  14           H        ASP  14  -4.945  -3.250  -5.943
   97    HA   ASP  14           HA       ASP  14  -4.459  -2.620  -3.255
   98    HB2  ASP  14           HB3      ASP  14  -2.999  -2.083  -5.177
   99    HB3  ASP  14           HB2      ASP  14  -4.188  -0.896  -5.703
  100    H    LYS  15           H        LYS  15  -5.244  -1.046  -2.012
  101    HA   LYS  15           HA       LYS  15  -7.746   0.296  -2.815
  102    HB2  LYS  15           HB3      LYS  15  -7.013  -0.943  -0.181
  103    HB3  LYS  15           HB2      LYS  15  -8.447   0.017  -0.476
  104    HG2  LYS  15          2HG       LYS  15  -7.779  -2.620  -1.767
  105    HG3  LYS  15          1HG       LYS  15  -8.901  -2.393  -0.427
  106    HD2  LYS  15          2HD       LYS  15 -10.238  -0.893  -1.909
  107    HD3  LYS  15          1HD       LYS  15  -9.161  -1.341  -3.237
  108    HE2  LYS  15          2HE       LYS  15 -10.867  -3.224  -1.622
  109    HE3  LYS  15          1HE       LYS  15 -11.205  -2.675  -3.259
  110    HZ1  LYS  15          1HZ       LYS  15 -10.211  -4.868  -3.244
  111    HZ2  LYS  15          2HZ       LYS  15  -8.856  -4.303  -2.429
  112    HZ3  LYS  15          3HZ       LYS  15  -9.183  -3.764  -4.000
  113    H    CYS  16           H        CYS  16  -4.697   0.991  -2.402
  114    HA   CYS  16           HA       CYS  16  -4.966   2.967  -0.263
  115    HB2  CYS  16           HB3      CYS  16  -3.066   1.168  -0.390
  116    HB3  CYS  16           HB2      CYS  16  -2.435   2.143  -1.706
  117    H    CYS  17           H        CYS  17  -3.969   5.177  -0.886
  118    HA   CYS  17           HA       CYS  17  -4.958   5.835  -3.410
  119    HB2  CYS  17           HB3      CYS  17  -3.770   7.331  -1.146
  120    HB3  CYS  17           HB2      CYS  17  -3.766   8.094  -2.723
  121    H    LYS  18           H        LYS  18  -3.449   7.490  -4.634
  122    HA   LYS  18           HA       LYS  18  -1.442   5.808  -5.744
  123    HB2  LYS  18           HB3      LYS  18  -3.093   7.083  -7.135
  124    HB3  LYS  18           HB2      LYS  18  -2.393   8.574  -6.550
  125    HG2  LYS  18          2HG       LYS  18  -0.564   6.677  -7.928
  126    HG3  LYS  18          1HG       LYS  18  -1.765   7.474  -8.927
  127    HD2  LYS  18          2HD       LYS  18   0.215   8.879  -7.132
  128    HD3  LYS  18          1HD       LYS  18   0.407   8.650  -8.869
  129    HE2  LYS  18          2HE       LYS  18  -1.818  10.208  -7.523
  130    HE3  LYS  18          1HE       LYS  18  -0.419  10.884  -8.337
  131    HZ1  LYS  18          1HZ       LYS  18  -1.186   9.888 -10.412
  132    HZ2  LYS  18          2HZ       LYS  18  -2.329  10.929  -9.769
  133    HZ3  LYS  18          3HZ       LYS  18  -2.560   9.273  -9.649
  134    H    ASN  19           H        ASN  19   0.607   6.813  -6.255
  135    HA   ASN  19           HA       ASN  19   2.633   7.669  -5.725
  136    HB2  ASN  19           HB3      ASN  19   1.297   9.184  -3.460
  137    HB3  ASN  19           HB2      ASN  19   3.000   9.309  -3.900
  138   HD21  ASN  19          HD21      ASN  19  -0.231  10.297  -4.603
  139   HD22  ASN  19          HD22      ASN  19   0.160  11.455  -5.815
  140    H    TYR  20           H        TYR  20   0.625   6.620  -3.222
  141    HA   TYR  20           HA       TYR  20   2.724   5.128  -1.933
  142    HB2  TYR  20           HB3      TYR  20  -0.247   5.329  -1.419
  143    HB3  TYR  20           HB2      TYR  20   0.915   4.488  -0.417
  144    HD1  TYR  20          1HD       TYR  20  -0.526   7.743  -1.184
  145    HD2  TYR  20          2HD       TYR  20   2.667   5.755   0.791
  146    HE1  TYR  20          1HE       TYR  20  -0.036   9.787   0.080
  147    HE2  TYR  20          2HE       TYR  20   3.158   7.780   2.062
  148    HH   TYR  20           HH       TYR  20   1.078  10.372   2.259
  149    H    THR  21           H        THR  21   2.425   2.823  -1.797
  150    HA   THR  21           HA       THR  21   0.634   1.600  -3.738
  151    HB   THR  21           HB       THR  21   3.577   1.028  -3.818
  152    HG1  THR  21          1HG       THR  21   2.087   3.042  -4.963
  153   HG21  THR  21          1HG2      THR  21   1.328   0.386  -5.727
  154   HG22  THR  21          2HG2      THR  21   2.136  -0.736  -4.637
  155   HG23  THR  21          3HG2      THR  21   3.026  -0.029  -5.985
  156    H    CYS  22           H        CYS  22   0.262  -0.529  -3.261
  157    HA   CYS  22           HA       CYS  22   0.694  -1.329  -0.580
  158    HB2  CYS  22           HB3      CYS  22  -1.291  -1.898  -1.923
  159    HB3  CYS  22           HB2      CYS  22  -0.317  -3.062  -2.838
  160    H    SER  23           H        SER  23   2.020  -2.781   0.220
  161    HA   SER  23           HA       SER  23   4.102  -3.802  -1.575
  162    HB2  SER  23           HB3      SER  23   4.861  -2.103   0.051
  163    HB3  SER  23           HB2      SER  23   4.218  -3.078   1.360
  164    HG   SER  23           HG       SER  23   6.398  -3.411   1.183
  165    H    ARG  24           H        ARG  24   4.095  -5.981  -1.723
  166    HA   ARG  24           HA       ARG  24   2.504  -7.568   0.070
  167    HB2  ARG  24           HB3      ARG  24   2.735  -8.224  -2.310
  168    HB3  ARG  24           HB2      ARG  24   4.461  -8.436  -2.082
  169    HG2  ARG  24          2HG       ARG  24   3.316 -10.595  -2.091
  170    HG3  ARG  24          1HG       ARG  24   4.042 -10.269  -0.522
  171    HD2  ARG  24          2HD       ARG  24   1.893  -9.553   0.350
  172    HD3  ARG  24          1HD       ARG  24   1.145  -9.832  -1.222
  173    HE   ARG  24           HE       ARG  24   2.401 -12.176  -0.377
  174   HH11  ARG  24          1HH1      ARG  24  -0.319 -10.135   0.589
  175   HH12  ARG  24          2HH1      ARG  24  -1.267 -11.426   1.166
  176   HH21  ARG  24          1HH2      ARG  24   1.107 -13.954   0.435
  177   HH22  ARG  24          2HH2      ARG  24  -0.416 -13.622   1.120
  178    H    ARG  25           H        ARG  25   5.697  -6.530  -0.251
  179    HA   ARG  25           HA       ARG  25   7.171  -8.275   1.347
  180    HB2  ARG  25           HB3      ARG  25   8.118  -6.570  -0.125
  181    HB3  ARG  25           HB2      ARG  25   7.412  -5.309   0.866
  182    HG2  ARG  25          2HG       ARG  25   8.776  -6.204   2.758
  183    HG3  ARG  25          1HG       ARG  25   9.625  -7.187   1.555
  184    HD2  ARG  25          2HD       ARG  25   9.394  -4.176   1.553
  185    HD3  ARG  25          1HD       ARG  25  10.830  -5.086   2.007
  186    HE   ARG  25           HE       ARG  25  10.139  -5.877  -0.560
  187   HH11  ARG  25          1HH1      ARG  25  11.105  -2.872   1.003
  188   HH12  ARG  25          2HH1      ARG  25  11.955  -2.257  -0.336
  189   HH21  ARG  25          1HH2      ARG  25  11.265  -5.050  -2.421
  190   HH22  ARG  25          2HH2      ARG  25  12.056  -3.543  -2.348
  191    H    ASP  26           H        ASP  26   5.639  -5.191   2.073
  192    HA   ASP  26           HA       ASP  26   6.077  -5.516   4.939
  193    HB2  ASP  26           HB3      ASP  26   4.757  -3.246   3.433
  194    HB3  ASP  26           HB2      ASP  26   5.190  -3.237   5.131
  195    H    ARG  27           H        ARG  27   3.565  -5.891   2.607
  196    HA   ARG  27           HA       ARG  27   1.578  -6.619   2.576
  197    HB2  ARG  27           HB3      ARG  27   1.862  -7.135   5.527
  198    HB3  ARG  27           HB2      ARG  27   0.446  -7.521   4.539
  199    HG2  ARG  27          2HG       ARG  27   1.746  -8.978   3.140
  200    HG3  ARG  27          1HG       ARG  27   3.211  -8.561   4.028
  201    HD2  ARG  27          2HD       ARG  27   2.302  -9.549   6.031
  202    HD3  ARG  27          1HD       ARG  27   0.790  -9.911   5.192
  203    HE   ARG  27           HE       ARG  27   2.585 -11.114   3.647
  204   HH11  ARG  27          1HH1      ARG  27   2.125 -11.248   7.146
  205   HH12  ARG  27          2HH1      ARG  27   2.692 -12.847   7.290
  206   HH21  ARG  27          1HH2      ARG  27   3.345 -13.268   3.832
  207   HH22  ARG  27          2HH2      ARG  27   3.413 -14.028   5.356
  208    H    TRP  28           H        TRP  28   2.405  -3.854   3.528
  209    HA   TRP  28           HA       TRP  28  -0.316  -2.939   3.493
  210    HB2  TRP  28           HB3      TRP  28   0.129  -1.206   5.206
  211    HB3  TRP  28           HB2      TRP  28   0.236  -2.824   5.859
  212    HD1  TRP  28           HD       TRP  28   2.696  -0.163   4.525
  213    HE1  TRP  28          1HE       TRP  28   4.744  -0.135   6.104
  214    HE3  TRP  28          3HE       TRP  28   1.332  -3.904   7.694
  215    HZ2  TRP  28          2HZ       TRP  28   5.628  -1.477   8.375
  216    HZ3  TRP  28          3HZ       TRP  28   2.827  -4.469   9.561
  217    HH2  TRP  28           HH       TRP  28   4.936  -3.276   9.890
  218    H    CYS  29           H        CYS  29  -0.335  -0.436   2.904
  219    HA   CYS  29           HA       CYS  29   1.516  -0.316   0.786
  220    HB2  CYS  29           HB3      CYS  29   0.176   1.550   0.064
  221    HB3  CYS  29           HB2      CYS  29  -0.801   0.100   0.273
  222    H    LYS  30           H        LYS  30   2.964   1.304   0.410
  223    HA   LYS  30           HA       LYS  30   3.417   3.274   2.499
  224    HB2  LYS  30           HB3      LYS  30   5.560   1.444   1.383
  225    HB3  LYS  30           HB2      LYS  30   5.803   2.827   2.411
  226    HG2  LYS  30          2HG       LYS  30   4.908   1.784   4.285
  227    HG3  LYS  30          1HG       LYS  30   4.041   0.608   3.298
  228    HD2  LYS  30          2HD       LYS  30   5.881  -0.427   4.447
  229    HD3  LYS  30          1HD       LYS  30   6.136  -0.459   2.706
  230    HE2  LYS  30          2HE       LYS  30   7.642   1.486   2.967
  231    HE3  LYS  30          1HE       LYS  30   7.426   1.377   4.714
  232    HZ1  LYS  30          1HZ       LYS  30   9.415   0.183   4.185
  233    HZ2  LYS  30          2HZ       LYS  30   8.682  -0.621   2.917
  234    HZ3  LYS  30          3HZ       LYS  30   8.249  -1.014   4.477
  235    H    TYR  31           H        TYR  31   5.306   4.742   1.635
  236    HA   TYR  31           HA       TYR  31   4.325   5.781  -0.832
  237    HB2  TYR  31           HB3      TYR  31   5.091   7.216   1.064
  238    HB3  TYR  31           HB2      TYR  31   6.729   6.641   0.791
  239    HD1  TYR  31          1HD       TYR  31   8.110   7.694  -0.815
  240    HD2  TYR  31          2HD       TYR  31   3.927   8.462  -0.807
  241    HE1  TYR  31          1HE       TYR  31   8.434   9.471  -2.465
  242    HE2  TYR  31          2HE       TYR  31   4.245  10.239  -2.453
  243    HH   TYR  31           HH       TYR  31   7.092  10.652  -4.197
  244    H    ASP  32           H        ASP  32   5.020   5.266  -2.741
  245    HA   ASP  32           HA       ASP  32   7.662   3.975  -3.007
  246    HB2  ASP  32           HB3      ASP  32   5.850   2.333  -3.319
  247    HB3  ASP  32           HB2      ASP  32   5.161   3.337  -4.584
  248    H    LEU  33           H        LEU  33   5.190   5.432  -4.929
  249    HA   LEU  33           HA       LEU  33   7.107   6.460  -6.844
  250    HB2  LEU  33           HB3      LEU  33   4.105   6.700  -6.672
  251    HB3  LEU  33           HB2      LEU  33   5.057   7.359  -7.985
  252    HG   LEU  33           HG       LEU  33   4.874   4.429  -7.293
  253   HD11  LEU  33          HD11      LEU  33   3.447   4.263  -9.274
  254   HD12  LEU  33          HD12      LEU  33   3.515   6.015  -9.468
  255   HD13  LEU  33          HD13      LEU  33   2.725   5.316  -8.057
  256   HD21  LEU  33          HD21      LEU  33   6.948   5.054  -8.441
  257   HD22  LEU  33          HD22      LEU  33   6.010   5.853  -9.700
  258   HD23  LEU  33          HD23      LEU  33   5.896   4.107  -9.492
  259    HN1  NH2  34           HN1      NH2  34   4.372   8.380  -5.935
  260    HN2  NH2  34           HN2      NH2  34   5.250   9.709  -5.267
  Start of MODEL   16
    1    H1   ASP   1          1HT       ASP   1 -13.763   8.138  -0.115
    2    H2   ASP   1          2HT       ASP   1 -13.443   6.630   0.603
    3    H3   ASP   1          3HT       ASP   1 -13.116   6.867  -1.012
    4    HA   ASP   1           HA       ASP   1 -11.383   8.376  -0.556
    5    HB2  ASP   1           HB3      ASP   1 -12.144   7.936   2.328
    6    HB3  ASP   1           HB2      ASP   1 -10.598   8.605   1.828
    7    H    CYS   2           H        CYS   2  -9.268   7.701  -0.114
    8    HA   CYS   2           HA       CYS   2  -9.147   4.805  -0.031
    9    HB2  CYS   2           HB3      CYS   2  -6.828   5.256  -0.850
   10    HB3  CYS   2           HB2      CYS   2  -8.155   5.468  -1.983
   11    H    LEU   3           H        LEU   3  -6.960   4.027   0.816
   12    HA   LEU   3           HA       LEU   3  -6.902   4.712   3.599
   13    HB2  LEU   3           HB3      LEU   3  -5.149   2.807   2.125
   14    HB3  LEU   3           HB2      LEU   3  -5.674   2.765   3.792
   15    HG   LEU   3           HG       LEU   3  -7.462   2.365   1.446
   16   HD11  LEU   3          HD11      LEU   3  -5.817   0.563   1.533
   17   HD12  LEU   3          HD12      LEU   3  -7.359  -0.072   2.100
   18   HD13  LEU   3          HD13      LEU   3  -6.093   0.336   3.260
   19   HD21  LEU   3          HD21      LEU   3  -9.013   1.404   3.126
   20   HD22  LEU   3          HD22      LEU   3  -8.648   3.102   3.431
   21   HD23  LEU   3          HD23      LEU   3  -7.877   1.844   4.401
   22    H    GLY   4           H        GLY   4  -5.002   5.414   4.661
   23    HA2  GLY   4          2HA       GLY   4  -2.968   6.668   3.072
   24    HA3  GLY   4          1HA       GLY   4  -3.088   6.632   4.842
   25    H    TRP   5           H        TRP   5  -0.568   5.987   3.968
   26    HA   TRP   5           HA       TRP   5  -0.642   3.279   3.424
   27    HB2  TRP   5           HB3      TRP   5   1.443   3.518   2.717
   28    HB3  TRP   5           HB2      TRP   5   0.864   5.121   2.478
   29    HD1  TRP   5           HD       TRP   5   3.568   3.198   4.013
   30    HE1  TRP   5          1HE       TRP   5   5.236   4.669   5.113
   31    HE3  TRP   5          3HE       TRP   5   0.780   7.490   4.126
   32    HZ2  TRP   5          2HZ       TRP   5   5.375   7.393   6.061
   33    HZ3  TRP   5          3HZ       TRP   5   1.756   9.474   5.181
   34    HH2  TRP   5           HH       TRP   5   4.006   9.426   6.130
   35    H    PHE   6           H        PHE   6   1.087   2.025   4.673
   36    HA   PHE   6           HA       PHE   6   1.531   0.796   6.416
   37    HB2  PHE   6           HB3      PHE   6   0.695   3.168   8.067
   38    HB3  PHE   6           HB2      PHE   6   1.042   1.600   8.787
   39    HD1  PHE   6          1HD       PHE   6   3.308   0.539   8.125
   40    HD2  PHE   6          2HD       PHE   6   2.412   4.670   7.805
   41    HE1  PHE   6          1HE       PHE   6   5.699   1.044   8.183
   42    HE2  PHE   6          2HE       PHE   6   4.824   5.192   7.850
   43    HZ   PHE   6           HZ       PHE   6   6.466   3.375   8.046
   44    H    LYS   7           H        LYS   7  -1.553   1.729   5.602
   45    HA   LYS   7           HA       LYS   7  -2.864  -0.055   7.359
   46    HB2  LYS   7           HB3      LYS   7  -3.795   1.271   4.824
   47    HB3  LYS   7           HB2      LYS   7  -4.782   0.417   5.994
   48    HG2  LYS   7          2HG       LYS   7  -3.180   2.790   6.762
   49    HG3  LYS   7          1HG       LYS   7  -4.827   2.914   6.150
   50    HD2  LYS   7          2HD       LYS   7  -5.578   1.402   7.943
   51    HD3  LYS   7          1HD       LYS   7  -3.926   1.295   8.535
   52    HE2  LYS   7          2HE       LYS   7  -5.205   2.848   9.853
   53    HE3  LYS   7          1HE       LYS   7  -3.904   3.641   8.953
   54    HZ1  LYS   7          1HZ       LYS   7  -5.465   4.491   7.393
   55    HZ2  LYS   7          2HZ       LYS   7  -6.025   4.885   8.921
   56    HZ3  LYS   7          3HZ       LYS   7  -6.744   3.630   8.076
   57    H    SER   8           H        SER   8  -3.777  -1.858   6.735
   58    HA   SER   8           HA       SER   8  -2.223  -3.513   5.050
   59    HB2  SER   8           HB3      SER   8  -4.685  -4.038   6.681
   60    HB3  SER   8           HB2      SER   8  -3.632  -5.244   5.952
   61    HG   SER   8           HG       SER   8  -3.274  -4.735   8.212
   62    H    CYS   9           H        CYS   9  -2.712  -4.160   3.050
   63    HA   CYS   9           HA       CYS   9  -5.313  -4.512   2.143
   64    HB2  CYS   9           HB3      CYS   9  -4.780  -3.141   0.090
   65    HB3  CYS   9           HB2      CYS   9  -5.364  -2.265   1.498
   66    H    ASP  10           H        ASP  10  -5.010  -5.168  -0.237
   67    HA   ASP  10           HA       ASP  10  -2.714  -6.985  -0.193
   68    HB2  ASP  10           HB3      ASP  10  -4.977  -8.027  -0.280
   69    HB3  ASP  10           HB2      ASP  10  -5.260  -7.201  -1.810
   70    HA   PRO  11           HA       PRO  11  -0.868  -4.553  -3.409
   71    HB2  PRO  11           HB3      PRO  11   0.494  -6.614  -4.664
   72    HB3  PRO  11           HB2      PRO  11   1.086  -5.679  -3.286
   73    HG2  PRO  11          2HG       PRO  11  -0.227  -8.359  -3.329
   74    HG3  PRO  11          1HG       PRO  11   1.114  -7.757  -2.332
   75    HD2  PRO  11          2HD       PRO  11  -1.339  -8.006  -1.342
   76    HD3  PRO  11          1HD       PRO  11  -0.289  -6.647  -0.878
   77    H    LYS  12           H        LYS  12  -2.690  -7.535  -4.255
   78    HA   LYS  12           HA       LYS  12  -2.743  -6.770  -6.989
   79    HB2  LYS  12           HB3      LYS  12  -3.702  -9.083  -5.367
   80    HB3  LYS  12           HB2      LYS  12  -4.276  -8.838  -6.996
   81    HG2  LYS  12          2HG       LYS  12  -2.441 -10.464  -6.973
   82    HG3  LYS  12          1HG       LYS  12  -1.932  -9.010  -7.819
   83    HD2  LYS  12          2HD       LYS  12  -0.732  -8.262  -5.827
   84    HD3  LYS  12          1HD       LYS  12  -1.279  -9.678  -4.943
   85    HE2  LYS  12          2HE       LYS  12   0.458  -9.722  -7.409
   86    HE3  LYS  12          1HE       LYS  12   1.038  -9.886  -5.753
   87    HZ1  LYS  12          1HZ       LYS  12  -0.325 -11.924  -5.567
   88    HZ2  LYS  12          2HZ       LYS  12   0.824 -12.039  -6.765
   89    HZ3  LYS  12          3HZ       LYS  12  -0.770 -11.774  -7.181
   90    H    ASN  13           H        ASN  13  -4.500  -6.173  -4.167
   91    HA   ASN  13           HA       ASN  13  -6.681  -5.030  -5.754
   92    HB2  ASN  13           HB3      ASN  13  -7.431  -7.145  -4.565
   93    HB3  ASN  13           HB2      ASN  13  -7.034  -6.367  -3.044
   94   HD21  ASN  13          HD21      ASN  13  -9.540  -7.406  -3.948
   95   HD22  ASN  13          HD22      ASN  13 -10.679  -6.101  -3.910
   96    H    ASP  14           H        ASP  14  -5.193  -3.250  -5.590
   97    HA   ASP  14           HA       ASP  14  -4.300  -2.244  -3.108
   98    HB2  ASP  14           HB3      ASP  14  -3.347  -1.856  -5.440
   99    HB3  ASP  14           HB2      ASP  14  -4.609  -0.624  -5.600
  100    H    LYS  15           H        LYS  15  -5.029  -0.543  -1.995
  101    HA   LYS  15           HA       LYS  15  -7.699   0.412  -2.660
  102    HB2  LYS  15           HB3      LYS  15  -7.677  -1.687  -1.189
  103    HB3  LYS  15           HB2      LYS  15  -7.037  -0.659   0.068
  104    HG2  LYS  15          2HG       LYS  15  -9.429  -0.963   0.324
  105    HG3  LYS  15          1HG       LYS  15  -9.036   0.725  -0.013
  106    HD2  LYS  15          2HD       LYS  15 -10.987   0.009  -1.314
  107    HD3  LYS  15          1HD       LYS  15  -9.612   0.400  -2.349
  108    HE2  LYS  15          2HE       LYS  15  -9.097  -1.967  -2.612
  109    HE3  LYS  15          1HE       LYS  15 -10.414  -2.393  -1.520
  110    HZ1  LYS  15          1HZ       LYS  15 -11.960  -1.432  -3.136
  111    HZ2  LYS  15          2HZ       LYS  15 -11.034  -2.658  -3.834
  112    HZ3  LYS  15          3HZ       LYS  15 -10.674  -1.062  -4.156
  113    H    CYS  16           H        CYS  16  -4.631   1.344  -1.975
  114    HA   CYS  16           HA       CYS  16  -5.534   3.397  -0.141
  115    HB2  CYS  16           HB3      CYS  16  -3.147   3.796   0.395
  116    HB3  CYS  16           HB2      CYS  16  -3.698   2.180   0.792
  117    H    CYS  17           H        CYS  17  -4.146   5.542  -0.443
  118    HA   CYS  17           HA       CYS  17  -5.169   6.599  -2.763
  119    HB2  CYS  17           HB3      CYS  17  -3.221   7.673  -0.757
  120    HB3  CYS  17           HB2      CYS  17  -4.057   8.625  -1.972
  121    H    LYS  18           H        LYS  18  -3.886   7.942  -4.189
  122    HA   LYS  18           HA       LYS  18  -2.181   6.344  -5.719
  123    HB2  LYS  18           HB3      LYS  18  -3.758   8.038  -6.637
  124    HB3  LYS  18           HB2      LYS  18  -2.759   9.303  -5.959
  125    HG2  LYS  18          2HG       LYS  18  -2.419   9.026  -8.379
  126    HG3  LYS  18          1HG       LYS  18  -0.947   8.746  -7.456
  127    HD2  LYS  18          2HD       LYS  18  -1.230   7.106  -9.270
  128    HD3  LYS  18          1HD       LYS  18  -1.217   6.344  -7.689
  129    HE2  LYS  18          2HE       LYS  18  -3.706   6.263  -7.771
  130    HE3  LYS  18          1HE       LYS  18  -3.646   6.937  -9.395
  131    HZ1  LYS  18          1HZ       LYS  18  -3.869   4.514  -9.417
  132    HZ2  LYS  18          2HZ       LYS  18  -2.439   4.354  -8.558
  133    HZ3  LYS  18          3HZ       LYS  18  -2.411   4.976 -10.115
  134    H    ASN  19           H        ASN  19  -0.144   6.689  -6.248
  135    HA   ASN  19           HA       ASN  19   2.078   6.948  -6.020
  136    HB2  ASN  19           HB3      ASN  19   1.432   9.212  -4.117
  137    HB3  ASN  19           HB2      ASN  19   3.069   8.677  -4.454
  138   HD21  ASN  19          HD21      ASN  19   3.679  10.627  -5.345
  139   HD22  ASN  19          HD22      ASN  19   3.077  11.188  -6.863
  140    H    TYR  20           H        TYR  20   0.127   6.463  -3.346
  141    HA   TYR  20           HA       TYR  20   2.168   4.871  -2.052
  142    HB2  TYR  20           HB3      TYR  20  -0.764   5.240  -1.393
  143    HB3  TYR  20           HB2      TYR  20   0.466   4.474  -0.407
  144    HD1  TYR  20          1HD       TYR  20   2.201   5.853   0.704
  145    HD2  TYR  20          2HD       TYR  20  -1.054   7.595  -1.382
  146    HE1  TYR  20          1HE       TYR  20   2.599   7.972   1.868
  147    HE2  TYR  20          2HE       TYR  20  -0.672   9.714  -0.241
  148    HH   TYR  20           HH       TYR  20   0.339  10.488   1.831
  149    H    THR  21           H        THR  21   1.686   2.562  -1.807
  150    HA   THR  21           HA       THR  21  -0.505   1.457  -3.226
  151    HB   THR  21           HB       THR  21   1.023   1.898  -4.939
  152    HG1  THR  21          1HG       THR  21  -0.249  -0.172  -4.756
  153   HG21  THR  21          1HG2      THR  21   3.198   0.710  -5.179
  154   HG22  THR  21          2HG2      THR  21   2.972   0.075  -3.547
  155   HG23  THR  21          3HG2      THR  21   3.125   1.816  -3.802
  156    H    CYS  22           H        CYS  22  -0.766  -0.643  -2.830
  157    HA   CYS  22           HA       CYS  22   0.084  -1.553  -0.273
  158    HB2  CYS  22           HB3      CYS  22  -1.412  -2.936  -2.432
  159    HB3  CYS  22           HB2      CYS  22  -1.338  -3.420  -0.750
  160    H    SER  23           H        SER  23   1.745  -2.649   0.115
  161    HA   SER  23           HA       SER  23   3.465  -3.671  -1.996
  162    HB2  SER  23           HB3      SER  23   4.500  -2.200  -0.390
  163    HB3  SER  23           HB2      SER  23   3.865  -3.135   0.952
  164    HG   SER  23           HG       SER  23   6.107  -3.494   0.440
  165    H    ARG  24           H        ARG  24   4.177  -5.805  -2.060
  166    HA   ARG  24           HA       ARG  24   2.512  -7.737  -0.641
  167    HB2  ARG  24           HB3      ARG  24   3.213  -7.726  -3.227
  168    HB3  ARG  24           HB2      ARG  24   4.658  -8.495  -2.611
  169    HG2  ARG  24          2HG       ARG  24   1.824  -9.579  -2.424
  170    HG3  ARG  24          1HG       ARG  24   3.104 -10.148  -3.474
  171    HD2  ARG  24          2HD       ARG  24   4.380 -10.833  -1.490
  172    HD3  ARG  24          1HD       ARG  24   3.063 -10.277  -0.464
  173    HE   ARG  24           HE       ARG  24   2.364 -12.207  -2.497
  174   HH11  ARG  24          1HH1      ARG  24   3.251 -11.665   0.893
  175   HH12  ARG  24          2HH1      ARG  24   2.708 -13.201   1.403
  176   HH21  ARG  24          1HH2      ARG  24   1.580 -14.329  -1.732
  177   HH22  ARG  24          2HH2      ARG  24   1.784 -14.713  -0.078
  178    H    ARG  25           H        ARG  25   5.669  -6.483  -0.922
  179    HA   ARG  25           HA       ARG  25   7.118  -8.459   0.528
  180    HB2  ARG  25           HB3      ARG  25   7.901  -6.507  -1.074
  181    HB3  ARG  25           HB2      ARG  25   7.910  -5.574   0.403
  182    HG2  ARG  25          2HG       ARG  25   9.477  -8.099  -0.012
  183    HG3  ARG  25          1HG       ARG  25  10.115  -6.483  -0.277
  184    HD2  ARG  25          2HD       ARG  25   9.843  -5.943   2.060
  185    HD3  ARG  25          1HD       ARG  25   9.028  -7.476   2.364
  186    HE   ARG  25           HE       ARG  25  11.615  -7.861   1.272
  187   HH11  ARG  25          1HH1      ARG  25  10.013  -7.006   4.321
  188   HH12  ARG  25          2HH1      ARG  25  11.215  -7.694   5.304
  189   HH21  ARG  25          1HH2      ARG  25  13.284  -8.787   2.655
  190   HH22  ARG  25          2HH2      ARG  25  13.118  -8.689   4.346
  191    H    ASP  26           H        ASP  26   5.637  -5.385   1.299
  192    HA   ASP  26           HA       ASP  26   6.319  -5.659   4.128
  193    HB2  ASP  26           HB3      ASP  26   4.918  -3.405   2.684
  194    HB3  ASP  26           HB2      ASP  26   5.446  -3.385   4.358
  195    H    ARG  27           H        ARG  27   3.651  -6.016   1.959
  196    HA   ARG  27           HA       ARG  27   1.629  -6.735   2.095
  197    HB2  ARG  27           HB3      ARG  27   2.204  -7.411   4.985
  198    HB3  ARG  27           HB2      ARG  27   0.817  -7.930   4.007
  199    HG2  ARG  27          2HG       ARG  27   2.232  -9.206   2.564
  200    HG3  ARG  27          1HG       ARG  27   3.669  -8.606   3.386
  201    HD2  ARG  27          2HD       ARG  27   1.507 -10.270   4.664
  202    HD3  ARG  27          1HD       ARG  27   3.047 -10.885   4.066
  203    HE   ARG  27           HE       ARG  27   3.507  -8.783   5.869
  204   HH11  ARG  27          1HH1      ARG  27   2.561 -12.185   5.836
  205   HH12  ARG  27          2HH1      ARG  27   3.036 -12.480   7.443
  206   HH21  ARG  27          1HH2      ARG  27   4.163  -9.174   8.048
  207   HH22  ARG  27          2HH2      ARG  27   3.982 -10.717   8.746
  208    H    TRP  28           H        TRP  28   2.522  -3.966   3.201
  209    HA   TRP  28           HA       TRP  28  -0.213  -3.182   3.658
  210    HB2  TRP  28           HB3      TRP  28   0.437  -1.518   5.378
  211    HB3  TRP  28           HB2      TRP  28   0.786  -3.146   5.916
  212    HD1  TRP  28           HD       TRP  28   2.700  -0.129   4.403
  213    HE1  TRP  28          1HE       TRP  28   5.069  -0.073   5.465
  214    HE3  TRP  28          3HE       TRP  28   2.452  -4.354   7.232
  215    HZ2  TRP  28          2HZ       TRP  28   6.590  -1.585   7.226
  216    HZ3  TRP  28          3HZ       TRP  28   4.414  -4.974   8.586
  217    HH2  TRP  28           HH       TRP  28   6.441  -3.608   8.571
  218    H    CYS  29           H        CYS  29  -0.357  -0.722   3.313
  219    HA   CYS  29           HA       CYS  29   0.859  -0.229   0.802
  220    HB2  CYS  29           HB3      CYS  29  -1.449   0.369   1.144
  221    HB3  CYS  29           HB2      CYS  29  -1.014   1.418   2.491
  222    H    LYS  30           H        LYS  30   2.358   1.216   0.280
  223    HA   LYS  30           HA       LYS  30   3.472   3.077   2.232
  224    HB2  LYS  30           HB3      LYS  30   5.068   0.994   0.775
  225    HB3  LYS  30           HB2      LYS  30   5.750   2.433   1.468
  226    HG2  LYS  30          2HG       LYS  30   5.352   1.687   3.654
  227    HG3  LYS  30          1HG       LYS  30   4.182   0.488   3.096
  228    HD2  LYS  30          2HD       LYS  30   6.330  -0.509   3.776
  229    HD3  LYS  30          1HD       LYS  30   5.891  -0.837   2.110
  230    HE2  LYS  30          2HE       LYS  30   7.449   0.904   1.360
  231    HE3  LYS  30          1HE       LYS  30   7.889   1.231   3.037
  232    HZ1  LYS  30          1HZ       LYS  30   8.793  -0.930   3.250
  233    HZ2  LYS  30          2HZ       LYS  30   9.444  -0.301   1.831
  234    HZ3  LYS  30          3HZ       LYS  30   8.170  -1.432   1.793
  235    H    TYR  31           H        TYR  31   5.091   4.524   1.158
  236    HA   TYR  31           HA       TYR  31   3.830   5.524  -1.208
  237    HB2  TYR  31           HB3      TYR  31   4.741   6.974   0.661
  238    HB3  TYR  31           HB2      TYR  31   6.355   6.531   0.123
  239    HD1  TYR  31          1HD       TYR  31   7.225   7.389  -2.026
  240    HD2  TYR  31          2HD       TYR  31   3.377   8.507  -0.605
  241    HE1  TYR  31          1HE       TYR  31   7.161   9.212  -3.646
  242    HE2  TYR  31          2HE       TYR  31   3.297  10.333  -2.216
  243    HH   TYR  31           HH       TYR  31   4.883  11.720  -3.497
  244    H    ASP  32           H        ASP  32   4.289   4.785  -3.126
  245    HA   ASP  32           HA       ASP  32   6.953   4.424  -4.055
  246    HB2  ASP  32           HB3      ASP  32   6.407   2.259  -2.967
  247    HB3  ASP  32           HB2      ASP  32   5.038   2.097  -4.040
  248    H    LEU  33           H        LEU  33   6.464   5.899  -5.517
  249    HA   LEU  33           HA       LEU  33   4.012   5.783  -6.957
  250    HB2  LEU  33           HB3      LEU  33   4.666   7.780  -8.163
  251    HB3  LEU  33           HB2      LEU  33   4.933   7.987  -6.460
  252    HG   LEU  33           HG       LEU  33   7.113   7.494  -8.505
  253   HD11  LEU  33          HD11      LEU  33   6.060   9.630  -8.868
  254   HD12  LEU  33          HD12      LEU  33   7.660   9.861  -8.157
  255   HD13  LEU  33          HD13      LEU  33   6.217  10.029  -7.157
  256   HD21  LEU  33          HD21      LEU  33   8.630   8.227  -6.705
  257   HD22  LEU  33          HD22      LEU  33   7.791   6.737  -6.297
  258   HD23  LEU  33          HD23      LEU  33   7.268   8.265  -5.585
  259    HN1  NH2  34           HN1      NH2  34   7.330   5.646  -8.178
  260    HN2  NH2  34           HN2      NH2  34   6.959   4.551  -9.460
  Start of MODEL   17
    1    H1   ASP   1          1HT       ASP   1 -13.387   8.941  -0.667
    2    H2   ASP   1          2HT       ASP   1 -13.085   7.929   0.668
    3    H3   ASP   1          3HT       ASP   1 -13.249   7.262  -0.860
    4    HA   ASP   1           HA       ASP   1 -11.289   8.245  -1.618
    5    HB2  ASP   1           HB3      ASP   1 -11.246   9.500   1.111
    6    HB3  ASP   1           HB2      ASP   1  -9.745   9.201   0.244
    7    H    CYS   2           H        CYS   2  -9.041   7.629  -0.707
    8    HA   CYS   2           HA       CYS   2  -9.269   4.811  -0.056
    9    HB2  CYS   2           HB3      CYS   2  -6.960   4.774  -0.588
   10    HB3  CYS   2           HB2      CYS   2  -7.844   5.566  -1.897
   11    H    LEU   3           H        LEU   3  -7.014   4.299   1.121
   12    HA   LEU   3           HA       LEU   3  -7.350   5.227   3.828
   13    HB2  LEU   3           HB3      LEU   3  -5.516   3.268   2.571
   14    HB3  LEU   3           HB2      LEU   3  -5.842   3.437   4.288
   15    HG   LEU   3           HG       LEU   3  -7.708   2.495   2.153
   16   HD11  LEU   3          HD11      LEU   3  -6.402   1.061   4.496
   17   HD12  LEU   3          HD12      LEU   3  -5.989   0.854   2.794
   18   HD13  LEU   3          HD13      LEU   3  -7.564   0.329   3.391
   19   HD21  LEU   3          HD21      LEU   3  -9.277   1.975   4.000
   20   HD22  LEU   3          HD22      LEU   3  -8.964   3.700   3.839
   21   HD23  LEU   3          HD23      LEU   3  -8.186   2.779   5.125
   22    H    GLY   4           H        GLY   4  -5.705   6.297   4.918
   23    HA2  GLY   4          2HA       GLY   4  -3.511   7.381   3.438
   24    HA3  GLY   4          1HA       GLY   4  -3.787   7.506   5.193
   25    H    TRP   5           H        TRP   5  -1.412   6.451   3.516
   26    HA   TRP   5           HA       TRP   5  -1.461   3.757   3.540
   27    HB2  TRP   5           HB3      TRP   5   0.679   3.905   2.767
   28    HB3  TRP   5           HB2      TRP   5  -0.079   5.369   2.220
   29    HD1  TRP   5           HD       TRP   5   2.816   4.128   4.237
   30    HE1  TRP   5          1HE       TRP   5   4.238   6.088   5.022
   31    HE3  TRP   5          3HE       TRP   5  -0.378   7.930   3.079
   32    HZ2  TRP   5          2HZ       TRP   5   4.027   8.911   5.177
   33    HZ3  TRP   5          3HZ       TRP   5   0.309  10.238   3.592
   34    HH2  TRP   5           HH       TRP   5   2.469  10.707   4.622
   35    H    PHE   6           H        PHE   6   0.466   2.651   4.501
   36    HA   PHE   6           HA       PHE   6   1.517   1.604   6.204
   37    HB2  PHE   6           HB3      PHE   6   1.823   3.916   7.253
   38    HB3  PHE   6           HB2      PHE   6   0.369   3.613   8.175
   39    HD1  PHE   6          1HD       PHE   6   0.452   2.356  10.195
   40    HD2  PHE   6          2HD       PHE   6   3.827   2.458   7.611
   41    HE1  PHE   6          1HE       PHE   6   1.821   1.309  11.946
   42    HE2  PHE   6          2HE       PHE   6   5.196   1.406   9.348
   43    HZ   PHE   6           HZ       PHE   6   4.205   0.831  11.519
   44    H    LYS   7           H        LYS   7  -1.526   1.767   5.476
   45    HA   LYS   7           HA       LYS   7  -2.633   0.117   7.551
   46    HB2  LYS   7           HB3      LYS   7  -3.751   1.129   4.953
   47    HB3  LYS   7           HB2      LYS   7  -4.642   0.292   6.202
   48    HG2  LYS   7          2HG       LYS   7  -3.207   2.831   6.794
   49    HG3  LYS   7          1HG       LYS   7  -4.798   2.864   6.064
   50    HD2  LYS   7          2HD       LYS   7  -4.146   1.422   8.635
   51    HD3  LYS   7          1HD       LYS   7  -4.727   3.086   8.586
   52    HE2  LYS   7          2HE       LYS   7  -6.750   2.272   7.364
   53    HE3  LYS   7          1HE       LYS   7  -6.175   0.625   7.589
   54    HZ1  LYS   7          1HZ       LYS   7  -6.327   0.968  10.005
   55    HZ2  LYS   7          2HZ       LYS   7  -7.801   1.198   9.251
   56    HZ3  LYS   7          3HZ       LYS   7  -6.911   2.528   9.756
   57    H    SER   8           H        SER   8  -3.470  -1.832   7.014
   58    HA   SER   8           HA       SER   8  -1.904  -3.525   5.368
   59    HB2  SER   8           HB3      SER   8  -4.514  -4.094   6.759
   60    HB3  SER   8           HB2      SER   8  -3.207  -5.212   6.361
   61    HG   SER   8           HG       SER   8  -1.948  -3.575   7.742
   62    H    CYS   9           H        CYS   9  -2.355  -3.970   3.247
   63    HA   CYS   9           HA       CYS   9  -4.978  -3.319   2.275
   64    HB2  CYS   9           HB3      CYS   9  -3.801  -2.665   0.174
   65    HB3  CYS   9           HB2      CYS   9  -3.603  -1.571   1.526
   66    H    ASP  10           H        ASP  10  -5.034  -4.221  -0.055
   67    HA   ASP  10           HA       ASP  10  -4.063  -7.000   0.011
   68    HB2  ASP  10           HB3      ASP  10  -6.571  -6.736  -0.148
   69    HB3  ASP  10           HB2      ASP  10  -6.339  -5.852  -1.649
   70    HA   PRO  11           HA       PRO  11  -1.282  -5.296  -2.938
   71    HB2  PRO  11           HB3      PRO  11  -0.277  -7.648  -3.919
   72    HB3  PRO  11           HB2      PRO  11   0.248  -6.923  -2.392
   73    HG2  PRO  11          2HG       PRO  11  -1.743  -9.101  -2.885
   74    HG3  PRO  11          1HG       PRO  11  -0.495  -8.990  -1.631
   75    HD2  PRO  11          2HD       PRO  11  -3.065  -8.463  -1.113
   76    HD3  PRO  11          1HD       PRO  11  -1.758  -7.542  -0.334
   77    H    LYS  12           H        LYS  12  -3.817  -7.496  -3.931
   78    HA   LYS  12           HA       LYS  12  -3.378  -6.626  -6.662
   79    HB2  LYS  12           HB3      LYS  12  -3.512  -9.092  -5.840
   80    HB3  LYS  12           HB2      LYS  12  -5.237  -8.808  -5.850
   81    HG2  LYS  12          2HG       LYS  12  -4.626  -9.812  -7.938
   82    HG3  LYS  12          1HG       LYS  12  -5.086  -8.127  -8.221
   83    HD2  LYS  12          2HD       LYS  12  -2.748  -7.477  -8.153
   84    HD3  LYS  12          1HD       LYS  12  -2.295  -9.144  -7.885
   85    HE2  LYS  12          2HE       LYS  12  -3.729  -8.099 -10.344
   86    HE3  LYS  12          1HE       LYS  12  -2.010  -8.469 -10.267
   87    HZ1  LYS  12          1HZ       LYS  12  -4.226 -10.428  -9.924
   88    HZ2  LYS  12          2HZ       LYS  12  -2.605 -10.777  -9.775
   89    HZ3  LYS  12          3HZ       LYS  12  -3.216 -10.294 -11.264
   90    H    ASN  13           H        ASN  13  -5.193  -6.043  -3.981
   91    HA   ASN  13           HA       ASN  13  -7.103  -4.493  -5.530
   92    HB2  ASN  13           HB3      ASN  13  -8.136  -6.751  -5.178
   93    HB3  ASN  13           HB2      ASN  13  -8.113  -6.443  -3.452
   94   HD21  ASN  13          HD21      ASN  13  -9.516  -5.510  -6.479
   95   HD22  ASN  13          HD22      ASN  13 -10.879  -4.681  -5.840
   96    H    ASP  14           H        ASP  14  -5.730  -2.958  -4.634
   97    HA   ASP  14           HA       ASP  14  -5.420  -2.693  -1.803
   98    HB2  ASP  14           HB3      ASP  14  -3.584  -2.300  -3.344
   99    HB3  ASP  14           HB2      ASP  14  -4.470  -0.972  -4.081
  100    H    LYS  15           H        LYS  15  -6.009  -0.999  -0.578
  101    HA   LYS  15           HA       LYS  15  -8.401   0.461  -1.437
  102    HB2  LYS  15           HB3      LYS  15  -7.492  -0.334   1.330
  103    HB3  LYS  15           HB2      LYS  15  -8.872   0.688   1.000
  104    HG2  LYS  15          2HG       LYS  15  -9.799  -1.410   1.427
  105    HG3  LYS  15          1HG       LYS  15  -9.769  -1.322  -0.331
  106    HD2  LYS  15          2HD       LYS  15  -7.629  -2.597  -0.295
  107    HD3  LYS  15          1HD       LYS  15  -7.820  -2.784   1.450
  108    HE2  LYS  15          2HE       LYS  15  -8.636  -4.762   0.329
  109    HE3  LYS  15          1HE       LYS  15  -9.989  -3.892   1.056
  110    HZ1  LYS  15          1HZ       LYS  15 -10.536  -4.593  -1.177
  111    HZ2  LYS  15          2HZ       LYS  15  -9.199  -3.827  -1.804
  112    HZ3  LYS  15          3HZ       LYS  15 -10.450  -2.919  -1.153
  113    H    CYS  16           H        CYS  16  -5.121   0.728  -0.679
  114    HA   CYS  16           HA       CYS  16  -5.271   3.437   0.244
  115    HB2  CYS  16           HB3      CYS  16  -2.905   1.669  -0.506
  116    HB3  CYS  16           HB2      CYS  16  -2.797   3.240   0.287
  117    H    CYS  17           H        CYS  17  -4.459   5.192  -1.060
  118    HA   CYS  17           HA       CYS  17  -5.346   5.125  -3.645
  119    HB2  CYS  17           HB3      CYS  17  -3.771   7.072  -2.066
  120    HB3  CYS  17           HB2      CYS  17  -3.967   7.310  -3.787
  121    H    LYS  18           H        LYS  18  -4.099   6.050  -5.403
  122    HA   LYS  18           HA       LYS  18  -2.046   4.373  -6.321
  123    HB2  LYS  18           HB3      LYS  18  -3.763   5.276  -7.804
  124    HB3  LYS  18           HB2      LYS  18  -3.366   6.906  -7.335
  125    HG2  LYS  18          2HG       LYS  18  -1.328   5.230  -8.758
  126    HG3  LYS  18          1HG       LYS  18  -2.650   5.950  -9.669
  127    HD2  LYS  18          2HD       LYS  18  -0.685   7.468  -7.937
  128    HD3  LYS  18          1HD       LYS  18  -0.583   7.330  -9.690
  129    HE2  LYS  18          2HE       LYS  18  -2.837   8.643  -8.134
  130    HE3  LYS  18          1HE       LYS  18  -1.568   9.463  -9.027
  131    HZ1  LYS  18          1HZ       LYS  18  -3.596   7.663 -10.255
  132    HZ2  LYS  18          2HZ       LYS  18  -2.395   8.516 -11.069
  133    HZ3  LYS  18          3HZ       LYS  18  -3.626   9.340 -10.288
  134    H    ASN  19           H        ASN  19  -0.035   5.245  -6.991
  135    HA   ASN  19           HA       ASN  19   1.966   6.312  -6.757
  136    HB2  ASN  19           HB3      ASN  19   0.955   8.544  -6.688
  137    HB3  ASN  19           HB2      ASN  19   0.460   8.305  -5.022
  138   HD21  ASN  19          HD21      ASN  19   1.849   8.849  -3.426
  139   HD22  ASN  19          HD22      ASN  19   3.431   9.485  -3.689
  140    H    TYR  20           H        TYR  20   0.089   5.614  -4.043
  141    HA   TYR  20           HA       TYR  20   2.370   4.661  -2.543
  142    HB2  TYR  20           HB3      TYR  20  -0.601   4.551  -1.978
  143    HB3  TYR  20           HB2      TYR  20   0.682   4.097  -0.878
  144    HD1  TYR  20          1HD       TYR  20  -1.237   6.862  -2.237
  145    HD2  TYR  20          2HD       TYR  20   2.181   5.830   0.073
  146    HE1  TYR  20          1HE       TYR  20  -1.143   9.150  -1.360
  147    HE2  TYR  20          2HE       TYR  20   2.285   8.109   0.951
  148    HH   TYR  20           HH       TYR  20   1.552  10.314   0.405
  149    H    THR  21           H        THR  21   2.335   2.353  -1.965
  150    HA   THR  21           HA       THR  21   0.659   0.641  -3.571
  151    HB   THR  21           HB       THR  21   3.665   0.437  -3.803
  152    HG1  THR  21          1HG       THR  21   1.859   1.982  -5.117
  153   HG21  THR  21          1HG2      THR  21   1.471  -0.935  -5.381
  154   HG22  THR  21          2HG2      THR  21   2.472  -1.686  -4.142
  155   HG23  THR  21          3HG2      THR  21   3.203  -1.135  -5.648
  156    H    CYS  22           H        CYS  22   0.711  -1.521  -2.785
  157    HA   CYS  22           HA       CYS  22   1.347  -1.872  -0.067
  158    HB2  CYS  22           HB3      CYS  22   0.579  -3.828  -2.205
  159    HB3  CYS  22           HB2      CYS  22   0.638  -4.156  -0.488
  160    H    SER  23           H        SER  23   3.039  -2.688   0.745
  161    HA   SER  23           HA       SER  23   5.324  -3.376  -0.892
  162    HB2  SER  23           HB3      SER  23   5.651  -1.902   1.010
  163    HB3  SER  23           HB2      SER  23   4.863  -3.041   2.092
  164    HG   SER  23           HG       SER  23   7.201  -3.016   2.179
  165    H    ARG  24           H        ARG  24   5.828  -5.568  -1.301
  166    HA   ARG  24           HA       ARG  24   4.163  -7.548  -0.114
  167    HB2  ARG  24           HB3      ARG  24   6.343  -7.502  -2.121
  168    HB3  ARG  24           HB2      ARG  24   6.002  -9.013  -1.317
  169    HG2  ARG  24          2HG       ARG  24   4.018  -7.376  -2.894
  170    HG3  ARG  24          1HG       ARG  24   4.847  -8.820  -3.478
  171    HD2  ARG  24          2HD       ARG  24   3.820 -10.042  -1.496
  172    HD3  ARG  24          1HD       ARG  24   2.819  -8.619  -1.252
  173    HE   ARG  24           HE       ARG  24   2.574  -9.340  -3.902
  174   HH11  ARG  24          1HH1      ARG  24   1.601 -10.589  -0.711
  175   HH12  ARG  24          2HH1      ARG  24   0.389 -11.594  -1.330
  176   HH21  ARG  24          1HH2      ARG  24   0.898 -10.743  -4.737
  177   HH22  ARG  24          2HH2      ARG  24  -0.016 -11.703  -3.661
  178    H    ARG  25           H        ARG  25   7.148  -6.094   0.448
  179    HA   ARG  25           HA       ARG  25   8.395  -8.070   2.037
  180    HB2  ARG  25           HB3      ARG  25   9.525  -6.216   0.863
  181    HB3  ARG  25           HB2      ARG  25   8.753  -5.085   1.961
  182    HG2  ARG  25          2HG       ARG  25   9.885  -6.224   3.820
  183    HG3  ARG  25          1HG       ARG  25  10.767  -7.187   2.625
  184    HD2  ARG  25          2HD       ARG  25  10.794  -4.191   2.911
  185    HD3  ARG  25          1HD       ARG  25  12.125  -5.282   3.285
  186    HE   ARG  25           HE       ARG  25  11.726  -5.840   0.731
  187   HH11  ARG  25          1HH1      ARG  25  11.894  -2.647   2.293
  188   HH12  ARG  25          2HH1      ARG  25  12.546  -1.874   0.925
  189   HH21  ARG  25          1HH2      ARG  25  12.552  -4.763  -1.119
  190   HH22  ARG  25          2HH2      ARG  25  12.918  -3.092  -1.073
  191    H    ASP  26           H        ASP  26   6.747  -5.016   2.777
  192    HA   ASP  26           HA       ASP  26   6.732  -5.591   5.629
  193    HB2  ASP  26           HB3      ASP  26   5.509  -3.242   4.159
  194    HB3  ASP  26           HB2      ASP  26   5.742  -3.373   5.894
  195    H    ARG  27           H        ARG  27   4.522  -5.516   2.947
  196    HA   ARG  27           HA       ARG  27   2.612  -6.276   2.526
  197    HB2  ARG  27           HB3      ARG  27   2.637  -7.568   5.249
  198    HB3  ARG  27           HB2      ARG  27   1.396  -7.773   4.000
  199    HG2  ARG  27          2HG       ARG  27   3.003  -8.670   2.450
  200    HG3  ARG  27          1HG       ARG  27   4.306  -8.403   3.600
  201    HD2  ARG  27          2HD       ARG  27   3.352 -10.036   5.104
  202    HD3  ARG  27          1HD       ARG  27   1.966 -10.248   4.036
  203    HE   ARG  27           HE       ARG  27   4.378 -10.717   2.656
  204   HH11  ARG  27          1HH1      ARG  27   2.212 -12.246   5.007
  205   HH12  ARG  27          2HH1      ARG  27   2.652 -13.835   4.568
  206   HH21  ARG  27          1HH2      ARG  27   4.920 -12.906   2.029
  207   HH22  ARG  27          2HH2      ARG  27   4.193 -14.224   2.819
  208    H    TRP  28           H        TRP  28   3.019  -3.707   3.792
  209    HA   TRP  28           HA       TRP  28   0.184  -3.125   3.814
  210    HB2  TRP  28           HB3      TRP  28   0.527  -1.270   5.485
  211    HB3  TRP  28           HB2      TRP  28   0.713  -2.877   6.151
  212    HD1  TRP  28           HD       TRP  28   2.897   0.143   5.068
  213    HE1  TRP  28          1HE       TRP  28   5.042   0.115   6.563
  214    HE3  TRP  28          3HE       TRP  28   2.138  -4.238   7.564
  215    HZ2  TRP  28          2HZ       TRP  28   6.203  -1.518   8.489
  216    HZ3  TRP  28          3HZ       TRP  28   3.806  -4.960   9.223
  217    HH2  TRP  28           HH       TRP  28   5.796  -3.618   9.668
  218    H    CYS  29           H        CYS  29  -0.256  -0.682   3.222
  219    HA   CYS  29           HA       CYS  29   1.256  -0.239   0.893
  220    HB2  CYS  29           HB3      CYS  29  -0.423   1.477   0.521
  221    HB3  CYS  29           HB2      CYS  29  -1.169  -0.083   0.848
  222    H    LYS  30           H        LYS  30   2.753   1.319   0.564
  223    HA   LYS  30           HA       LYS  30   3.014   3.537   2.451
  224    HB2  LYS  30           HB3      LYS  30   5.374   2.030   1.372
  225    HB3  LYS  30           HB2      LYS  30   5.339   3.295   2.558
  226    HG2  LYS  30          2HG       LYS  30   4.385   1.803   4.214
  227    HG3  LYS  30          1HG       LYS  30   4.286   0.510   3.015
  228    HD2  LYS  30          2HD       LYS  30   6.804   1.796   4.095
  229    HD3  LYS  30          1HD       LYS  30   6.244   0.153   4.404
  230    HE2  LYS  30          2HE       LYS  30   6.460  -0.316   1.957
  231    HE3  LYS  30          1HE       LYS  30   7.148   1.290   1.750
  232    HZ1  LYS  30          1HZ       LYS  30   8.278  -0.939   3.317
  233    HZ2  LYS  30          2HZ       LYS  30   8.930   0.629   3.280
  234    HZ3  LYS  30          3HZ       LYS  30   8.881  -0.297   1.878
  235    H    TYR  31           H        TYR  31   4.725   5.082   1.358
  236    HA   TYR  31           HA       TYR  31   4.059   5.356  -1.408
  237    HB2  TYR  31           HB3      TYR  31   4.547   7.413  -0.203
  238    HB3  TYR  31           HB2      TYR  31   6.105   6.788   0.327
  239    HD1  TYR  31          1HD       TYR  31   8.022   7.379  -0.860
  240    HD2  TYR  31          2HD       TYR  31   4.256   7.601  -2.828
  241    HE1  TYR  31          1HE       TYR  31   9.118   8.326  -2.829
  242    HE2  TYR  31          2HE       TYR  31   5.341   8.558  -4.801
  243    HH   TYR  31           HH       TYR  31   7.412   9.775  -5.387
  244    H    ASP  32           H        ASP  32   4.855   4.069  -2.888
  245    HA   ASP  32           HA       ASP  32   7.631   3.354  -2.768
  246    HB2  ASP  32           HB3      ASP  32   6.429   1.439  -1.816
  247    HB3  ASP  32           HB2      ASP  32   5.397   1.371  -3.234
  248    H    LEU  33           H        LEU  33   7.937   4.773  -4.278
  249    HA   LEU  33           HA       LEU  33   7.250   3.969  -6.980
  250    HB2  LEU  33           HB3      LEU  33   5.571   5.675  -6.452
  251    HB3  LEU  33           HB2      LEU  33   6.826   6.782  -5.952
  252    HG   LEU  33           HG       LEU  33   7.662   6.883  -8.269
  253   HD11  LEU  33          HD11      LEU  33   6.334   5.954 -10.088
  254   HD12  LEU  33          HD12      LEU  33   5.271   5.175  -8.917
  255   HD13  LEU  33          HD13      LEU  33   6.964   4.686  -9.037
  256   HD21  LEU  33          HD21      LEU  33   6.046   8.516  -7.472
  257   HD22  LEU  33          HD22      LEU  33   4.727   7.467  -7.989
  258   HD23  LEU  33          HD23      LEU  33   5.812   8.173  -9.187
  259    HN1  NH2  34           HN1      NH2  34   8.731   6.910  -5.708
  260    HN2  NH2  34           HN2      NH2  34  10.318   6.586  -6.301
  Start of MODEL   18
    1    H1   ASP   1          1HT       ASP   1 -13.222   6.486  -0.352
    2    H2   ASP   1          2HT       ASP   1 -12.707   7.645  -1.441
    3    H3   ASP   1          3HT       ASP   1 -13.643   8.109  -0.109
    4    HA   ASP   1           HA       ASP   1 -11.323   8.678   0.196
    5    HB2  ASP   1           HB3      ASP   1 -12.178   6.338   1.938
    6    HB3  ASP   1           HB2      ASP   1 -10.935   7.508   2.341
    7    H    CYS   2           H        CYS   2  -9.243   7.378   1.074
    8    HA   CYS   2           HA       CYS   2  -8.890   4.949  -0.465
    9    HB2  CYS   2           HB3      CYS   2  -6.642   5.666  -1.044
   10    HB3  CYS   2           HB2      CYS   2  -7.900   6.523  -1.926
   11    H    LEU   3           H        LEU   3  -6.418   4.313   0.179
   12    HA   LEU   3           HA       LEU   3  -6.815   3.957   3.020
   13    HB2  LEU   3           HB3      LEU   3  -4.903   2.492   1.325
   14    HB3  LEU   3           HB2      LEU   3  -5.669   2.035   2.805
   15    HG   LEU   3           HG       LEU   3  -7.160   2.253   0.220
   16   HD11  LEU   3          HD11      LEU   3  -7.193  -0.242   0.258
   17   HD12  LEU   3          HD12      LEU   3  -6.193  -0.221   1.706
   18   HD13  LEU   3          HD13      LEU   3  -5.537   0.364   0.181
   19   HD21  LEU   3          HD21      LEU   3  -8.935   1.025   1.442
   20   HD22  LEU   3          HD22      LEU   3  -8.576   2.597   2.154
   21   HD23  LEU   3          HD23      LEU   3  -7.964   1.125   2.911
   22    H    GLY   4           H        GLY   4  -5.578   5.163   4.178
   23    HA2  GLY   4          2HA       GLY   4  -3.251   6.480   3.256
   24    HA3  GLY   4          1HA       GLY   4  -3.791   6.366   4.942
   25    H    TRP   5           H        TRP   5  -1.111   5.871   3.724
   26    HA   TRP   5           HA       TRP   5  -0.916   3.146   3.645
   27    HB2  TRP   5           HB3      TRP   5   1.132   3.489   2.841
   28    HB3  TRP   5           HB2      TRP   5   0.378   4.988   2.441
   29    HD1  TRP   5           HD       TRP   5   3.262   3.550   4.259
   30    HE1  TRP   5          1HE       TRP   5   4.769   5.358   5.126
   31    HE3  TRP   5          3HE       TRP   5   0.100   7.511   3.600
   32    HZ2  TRP   5          2HZ       TRP   5   4.626   8.203   5.568
   33    HZ3  TRP   5          3HZ       TRP   5   0.859   9.735   4.296
   34    HH2  TRP   5           HH       TRP   5   3.076  10.074   5.259
   35    H    PHE   6           H        PHE   6   0.989   2.230   4.820
   36    HA   PHE   6           HA       PHE   6   1.864   1.282   6.618
   37    HB2  PHE   6           HB3      PHE   6   2.030   3.603   7.657
   38    HB3  PHE   6           HB2      PHE   6   0.495   3.279   8.447
   39    HD1  PHE   6          1HD       PHE   6   3.901   1.862   8.049
   40    HD2  PHE   6          2HD       PHE   6   0.508   2.317  10.572
   41    HE1  PHE   6          1HE       PHE   6   5.128   0.786   9.882
   42    HE2  PHE   6          2HE       PHE   6   1.735   1.239  12.408
   43    HZ   PHE   6           HZ       PHE   6   4.060   0.468  12.049
   44    H    LYS   7           H        LYS   7  -1.442   1.730   6.093
   45    HA   LYS   7           HA       LYS   7  -2.393  -0.272   7.852
   46    HB2  LYS   7           HB3      LYS   7  -3.523   0.788   5.267
   47    HB3  LYS   7           HB2      LYS   7  -4.386  -0.131   6.475
   48    HG2  LYS   7          2HG       LYS   7  -3.213   2.581   6.985
   49    HG3  LYS   7          1HG       LYS   7  -4.873   2.317   6.472
   50    HD2  LYS   7          2HD       LYS   7  -5.233   0.948   8.503
   51    HD3  LYS   7          1HD       LYS   7  -3.574   1.291   9.000
   52    HE2  LYS   7          2HE       LYS   7  -4.074   3.673   9.063
   53    HE3  LYS   7          1HE       LYS   7  -5.719   3.352   8.527
   54    HZ1  LYS   7          1HZ       LYS   7  -6.116   2.127  10.541
   55    HZ2  LYS   7          2HZ       LYS   7  -5.574   3.669  10.937
   56    HZ3  LYS   7          3HZ       LYS   7  -4.533   2.348  11.054
   57    H    SER   8           H        SER   8  -2.912  -2.249   7.155
   58    HA   SER   8           HA       SER   8  -0.980  -3.422   5.385
   59    HB2  SER   8           HB3      SER   8  -1.671  -4.587   7.473
   60    HB3  SER   8           HB2      SER   8  -3.279  -4.812   6.781
   61    HG   SER   8           HG       SER   8  -0.929  -5.770   5.486
   62    H    CYS   9           H        CYS   9  -1.336  -4.478   3.471
   63    HA   CYS   9           HA       CYS   9  -3.795  -3.755   2.163
   64    HB2  CYS   9           HB3      CYS   9  -2.317  -3.618   0.123
   65    HB3  CYS   9           HB2      CYS   9  -2.139  -2.324   1.294
   66    H    ASP  10           H        ASP  10  -3.660  -5.033  -0.021
   67    HA   ASP  10           HA       ASP  10  -2.823  -7.802   0.449
   68    HB2  ASP  10           HB3      ASP  10  -5.312  -7.543   0.736
   69    HB3  ASP  10           HB2      ASP  10  -5.385  -6.916  -0.908
   70    HA   PRO  11           HA       PRO  11  -0.735  -6.470  -3.185
   71    HB2  PRO  11           HB3      PRO  11   0.309  -8.870  -3.984
   72    HB3  PRO  11           HB2      PRO  11   0.977  -7.881  -2.677
   73    HG2  PRO  11          2HG       PRO  11  -0.808 -10.276  -2.512
   74    HG3  PRO  11          1HG       PRO  11   0.583  -9.845  -1.502
   75    HD2  PRO  11          2HD       PRO  11  -1.977  -9.463  -0.711
   76    HD3  PRO  11          1HD       PRO  11  -0.652  -8.393  -0.209
   77    H    LYS  12           H        LYS  12  -3.150  -9.056  -3.358
   78    HA   LYS  12           HA       LYS  12  -3.145  -8.968  -6.177
   79    HB2  LYS  12           HB3      LYS  12  -3.631 -11.010  -4.775
   80    HB3  LYS  12           HB2      LYS  12  -5.144 -10.249  -4.329
   81    HG2  LYS  12          2HG       LYS  12  -5.475 -11.848  -6.129
   82    HG3  LYS  12          1HG       LYS  12  -5.828 -10.201  -6.675
   83    HD2  LYS  12          2HD       LYS  12  -3.585 -10.040  -7.577
   84    HD3  LYS  12          1HD       LYS  12  -3.261 -11.689  -7.073
   85    HE2  LYS  12          2HE       LYS  12  -5.083 -12.475  -8.566
   86    HE3  LYS  12          1HE       LYS  12  -5.372 -10.809  -9.058
   87    HZ1  LYS  12          1HZ       LYS  12  -2.852 -12.313  -9.508
   88    HZ2  LYS  12          2HZ       LYS  12  -3.154 -10.730 -10.012
   89    HZ3  LYS  12          3HZ       LYS  12  -4.030 -12.004 -10.670
   90    H    ASN  13           H        ASN  13  -4.706  -7.459  -3.545
   91    HA   ASN  13           HA       ASN  13  -6.432  -5.996  -5.397
   92    HB2  ASN  13           HB3      ASN  13  -7.740  -7.925  -4.493
   93    HB3  ASN  13           HB2      ASN  13  -7.496  -7.288  -2.879
   94   HD21  ASN  13          HD21      ASN  13  -9.910  -7.816  -4.336
   95   HD22  ASN  13          HD22      ASN  13 -10.825  -6.364  -4.397
   96    H    ASP  14           H        ASP  14  -4.852  -4.404  -4.950
   97    HA   ASP  14           HA       ASP  14  -5.116  -3.213  -2.296
   98    HB2  ASP  14           HB3      ASP  14  -2.863  -3.920  -2.964
   99    HB3  ASP  14           HB2      ASP  14  -2.953  -2.866  -4.360
  100    H    LYS  15           H        LYS  15  -5.137  -0.879  -2.231
  101    HA   LYS  15           HA       LYS  15  -6.186   0.363  -4.657
  102    HB2  LYS  15           HB3      LYS  15  -8.046  -0.169  -3.190
  103    HB3  LYS  15           HB2      LYS  15  -7.251   0.653  -1.859
  104    HG2  LYS  15          2HG       LYS  15  -7.435   2.772  -3.075
  105    HG3  LYS  15          1HG       LYS  15  -8.267   1.928  -4.386
  106    HD2  LYS  15          2HD       LYS  15  -9.966   1.199  -2.810
  107    HD3  LYS  15          1HD       LYS  15  -9.136   2.090  -1.539
  108    HE2  LYS  15          2HE       LYS  15  -9.541   4.200  -2.659
  109    HE3  LYS  15          1HE       LYS  15 -10.213   3.379  -4.062
  110    HZ1  LYS  15          1HZ       LYS  15 -11.416   3.390  -1.339
  111    HZ2  LYS  15          2HZ       LYS  15 -12.071   2.657  -2.712
  112    HZ3  LYS  15          3HZ       LYS  15 -11.909   4.330  -2.640
  113    H    CYS  16           H        CYS  16  -5.234   1.167  -1.369
  114    HA   CYS  16           HA       CYS  16  -4.384   3.048  -0.445
  115    HB2  CYS  16           HB3      CYS  16  -2.618   2.406  -2.715
  116    HB3  CYS  16           HB2      CYS  16  -2.116   3.596  -1.475
  117    H    CYS  17           H        CYS  17  -3.327   5.308  -1.102
  118    HA   CYS  17           HA       CYS  17  -5.126   6.642  -2.897
  119    HB2  CYS  17           HB3      CYS  17  -2.769   7.656  -1.283
  120    HB3  CYS  17           HB2      CYS  17  -4.064   8.609  -1.996
  121    H    LYS  18           H        LYS  18  -3.637   8.353  -4.295
  122    HA   LYS  18           HA       LYS  18  -2.097   6.701  -5.984
  123    HB2  LYS  18           HB3      LYS  18  -3.457   8.488  -6.953
  124    HB3  LYS  18           HB2      LYS  18  -2.587   9.685  -6.011
  125    HG2  LYS  18          2HG       LYS  18  -1.958   9.704  -8.402
  126    HG3  LYS  18          1HG       LYS  18  -0.598   9.369  -7.342
  127    HD2  LYS  18          2HD       LYS  18  -0.538   7.962  -9.342
  128    HD3  LYS  18          1HD       LYS  18  -0.740   6.981  -7.903
  129    HE2  LYS  18          2HE       LYS  18  -3.161   6.829  -8.392
  130    HE3  LYS  18          1HE       LYS  18  -2.898   7.776  -9.858
  131    HZ1  LYS  18          1HZ       LYS  18  -2.941   5.372 -10.327
  132    HZ2  LYS  18          2HZ       LYS  18  -1.641   5.143  -9.282
  133    HZ3  LYS  18          3HZ       LYS  18  -1.431   6.026 -10.672
  134    H    ASN  19           H        ASN  19  -0.021   6.876  -6.363
  135    HA   ASN  19           HA       ASN  19   2.197   7.144  -6.116
  136    HB2  ASN  19           HB3      ASN  19   1.520   9.257  -4.065
  137    HB3  ASN  19           HB2      ASN  19   3.172   8.754  -4.413
  138   HD21  ASN  19          HD21      ASN  19   4.136   9.414  -6.291
  139   HD22  ASN  19          HD22      ASN  19   3.423  10.585  -7.343
  140    H    TYR  20           H        TYR  20   0.230   6.540  -3.470
  141    HA   TYR  20           HA       TYR  20   2.264   4.912  -2.213
  142    HB2  TYR  20           HB3      TYR  20  -0.597   5.439  -1.431
  143    HB3  TYR  20           HB2      TYR  20   0.607   4.592  -0.492
  144    HD1  TYR  20          1HD       TYR  20   2.537   5.786   0.482
  145    HD2  TYR  20          2HD       TYR  20  -0.608   7.905  -1.437
  146    HE1  TYR  20          1HE       TYR  20   3.319   7.866   1.507
  147    HE2  TYR  20          2HE       TYR  20   0.159   9.987  -0.419
  148    HH   TYR  20           HH       TYR  20   1.517  10.643   1.660
  149    H    THR  21           H        THR  21   1.864   2.698  -1.893
  150    HA   THR  21           HA       THR  21  -0.255   1.296  -3.210
  151    HB   THR  21           HB       THR  21   2.553   0.940  -4.327
  152    HG1  THR  21          1HG       THR  21   0.663   2.691  -4.982
  153   HG21  THR  21          1HG2      THR  21  -0.065  -0.279  -5.238
  154   HG22  THR  21          2HG2      THR  21   1.232  -1.122  -4.394
  155   HG23  THR  21          3HG2      THR  21   1.497  -0.507  -6.025
  156    H    CYS  22           H        CYS  22  -0.162  -0.923  -2.689
  157    HA   CYS  22           HA       CYS  22   0.754  -1.717  -0.231
  158    HB2  CYS  22           HB3      CYS  22  -0.941  -2.852  -1.538
  159    HB3  CYS  22           HB2      CYS  22   0.301  -3.508  -2.622
  160    H    SER  23           H        SER  23   2.529  -2.454   0.513
  161    HA   SER  23           HA       SER  23   4.785  -2.862  -1.286
  162    HB2  SER  23           HB3      SER  23   5.235  -1.375   0.622
  163    HB3  SER  23           HB2      SER  23   4.630  -2.581   1.742
  164    HG   SER  23           HG       SER  23   6.891  -2.591   1.668
  165    H    ARG  24           H        ARG  24   5.112  -4.913  -1.883
  166    HA   ARG  24           HA       ARG  24   3.695  -7.064  -0.600
  167    HB2  ARG  24           HB3      ARG  24   4.743  -6.677  -3.117
  168    HB3  ARG  24           HB2      ARG  24   5.933  -7.748  -2.405
  169    HG2  ARG  24          2HG       ARG  24   2.987  -8.286  -2.755
  170    HG3  ARG  24          1HG       ARG  24   4.312  -9.030  -3.636
  171    HD2  ARG  24          2HD       ARG  24   5.090 -10.068  -1.526
  172    HD3  ARG  24          1HD       ARG  24   3.720  -9.344  -0.689
  173    HE   ARG  24           HE       ARG  24   2.860 -10.826  -2.931
  174   HH11  ARG  24          1HH1      ARG  24   4.068 -11.326   0.361
  175   HH12  ARG  24          2HH1      ARG  24   3.247 -12.797   0.577
  176   HH21  ARG  24          1HH2      ARG  24   1.730 -12.882  -2.612
  177   HH22  ARG  24          2HH2      ARG  24   1.888 -13.698  -1.132
  178    H    ARG  25           H        ARG  25   6.699  -5.551  -0.469
  179    HA   ARG  25           HA       ARG  25   8.363  -7.425   0.794
  180    HB2  ARG  25           HB3      ARG  25   9.086  -5.406  -0.358
  181    HB3  ARG  25           HB2      ARG  25   8.263  -4.424   0.828
  182    HG2  ARG  25          2HG       ARG  25   9.765  -5.339   2.549
  183    HG3  ARG  25          1HG       ARG  25  10.666  -6.146   1.250
  184    HD2  ARG  25          2HD       ARG  25  11.699  -3.985   1.825
  185    HD3  ARG  25          1HD       ARG  25  11.069  -3.984   0.177
  186    HE   ARG  25           HE       ARG  25   9.335  -2.950   2.286
  187   HH11  ARG  25          1HH1      ARG  25  11.485  -2.134  -0.417
  188   HH12  ARG  25          2HH1      ARG  25  10.811  -0.585  -0.624
  189   HH21  ARG  25          1HH2      ARG  25   8.452  -0.938   1.986
  190   HH22  ARG  25          2HH2      ARG  25   9.023   0.155   0.786
  191    H    ASP  26           H        ASP  26   6.436  -4.738   2.000
  192    HA   ASP  26           HA       ASP  26   6.951  -5.477   4.777
  193    HB2  ASP  26           HB3      ASP  26   5.392  -3.155   3.642
  194    HB3  ASP  26           HB2      ASP  26   5.707  -3.415   5.348
  195    H    ARG  27           H        ARG  27   4.356  -5.604   2.470
  196    HA   ARG  27           HA       ARG  27   2.441  -6.467   2.359
  197    HB2  ARG  27           HB3      ARG  27   2.848  -7.551   5.143
  198    HB3  ARG  27           HB2      ARG  27   1.453  -7.858   4.096
  199    HG2  ARG  27          2HG       ARG  27   2.969  -8.868   2.429
  200    HG3  ARG  27          1HG       ARG  27   4.305  -8.661   3.562
  201    HD2  ARG  27          2HD       ARG  27   3.454 -10.935   3.680
  202    HD3  ARG  27          1HD       ARG  27   3.115 -10.080   5.185
  203    HE   ARG  27           HE       ARG  27   0.931  -9.784   3.474
  204   HH11  ARG  27          1HH1      ARG  27   2.489 -12.387   5.353
  205   HH12  ARG  27          2HH1      ARG  27   1.042 -13.234   5.600
  206   HH21  ARG  27          1HH2      ARG  27  -1.033 -11.001   3.831
  207   HH22  ARG  27          2HH2      ARG  27  -0.992 -12.453   4.709
  208    H    TRP  28           H        TRP  28   3.138  -3.872   3.654
  209    HA   TRP  28           HA       TRP  28   0.384  -3.205   3.864
  210    HB2  TRP  28           HB3      TRP  28   0.837  -1.471   5.663
  211    HB3  TRP  28           HB2      TRP  28   0.842  -3.136   6.186
  212    HD1  TRP  28           HD       TRP  28   3.255  -0.189   5.609
  213    HE1  TRP  28          1HE       TRP  28   5.305  -0.590   7.212
  214    HE3  TRP  28          3HE       TRP  28   2.139  -4.862   7.307
  215    HZ2  TRP  28          2HZ       TRP  28   6.284  -2.587   8.854
  216    HZ3  TRP  28          3HZ       TRP  28   3.679  -5.950   8.884
  217    HH2  TRP  28           HH       TRP  28   5.705  -4.832   9.637
  218    H    CYS  29           H        CYS  29  -0.031  -0.877   3.540
  219    HA   CYS  29           HA       CYS  29   1.160  -0.275   1.060
  220    HB2  CYS  29           HB3      CYS  29  -1.222   0.071   1.584
  221    HB3  CYS  29           HB2      CYS  29  -0.761   1.319   2.738
  222    H    LYS  30           H        LYS  30   2.570   1.267   0.559
  223    HA   LYS  30           HA       LYS  30   3.379   3.289   2.425
  224    HB2  LYS  30           HB3      LYS  30   5.274   1.197   1.377
  225    HB3  LYS  30           HB2      LYS  30   5.811   2.776   1.874
  226    HG2  LYS  30          2HG       LYS  30   4.973   2.272   4.164
  227    HG3  LYS  30          1HG       LYS  30   4.493   0.671   3.594
  228    HD2  LYS  30          2HD       LYS  30   6.792   0.092   3.127
  229    HD3  LYS  30          1HD       LYS  30   7.324   1.731   3.515
  230    HE2  LYS  30          2HE       LYS  30   6.599   1.441   5.817
  231    HE3  LYS  30          1HE       LYS  30   5.991  -0.166   5.441
  232    HZ1  LYS  30          1HZ       LYS  30   8.150  -0.163   6.561
  233    HZ2  LYS  30          2HZ       LYS  30   8.880   0.595   5.242
  234    HZ3  LYS  30          3HZ       LYS  30   8.217  -0.945   5.091
  235    H    TYR  31           H        TYR  31   5.228   4.578   1.254
  236    HA   TYR  31           HA       TYR  31   4.047   5.650  -1.107
  237    HB2  TYR  31           HB3      TYR  31   5.257   6.984   0.610
  238    HB3  TYR  31           HB2      TYR  31   6.734   6.138   0.196
  239    HD1  TYR  31          1HD       TYR  31   8.187   7.114  -1.314
  240    HD2  TYR  31          2HD       TYR  31   4.092   8.252  -1.356
  241    HE1  TYR  31          1HE       TYR  31   8.700   8.856  -2.942
  242    HE2  TYR  31          2HE       TYR  31   4.587   9.998  -2.990
  243    HH   TYR  31           HH       TYR  31   6.505  11.321  -3.650
  244    H    ASP  32           H        ASP  32   4.293   4.747  -3.047
  245    HA   ASP  32           HA       ASP  32   6.628   3.006  -3.453
  246    HB2  ASP  32           HB3      ASP  32   4.476   1.825  -3.557
  247    HB3  ASP  32           HB2      ASP  32   3.951   2.879  -4.859
  248    H    LEU  33           H        LEU  33   4.648   5.350  -5.030
  249    HA   LEU  33           HA       LEU  33   6.657   5.641  -7.164
  250    HB2  LEU  33           HB3      LEU  33   3.912   6.900  -6.983
  251    HB3  LEU  33           HB2      LEU  33   5.033   7.120  -8.293
  252    HG   LEU  33           HG       LEU  33   3.391   5.668  -9.079
  253   HD11  LEU  33          HD11      LEU  33   5.753   3.987  -8.347
  254   HD12  LEU  33          HD12      LEU  33   5.586   5.035  -9.755
  255   HD13  LEU  33          HD13      LEU  33   4.564   3.609  -9.593
  256   HD21  LEU  33          HD21      LEU  33   3.764   3.948  -6.632
  257   HD22  LEU  33          HD22      LEU  33   2.673   3.606  -7.980
  258   HD23  LEU  33          HD23      LEU  33   2.391   5.005  -6.949
  259    HN1  NH2  34           HN1      NH2  34   8.216   6.719  -5.998
  260    HN2  NH2  34           HN2      NH2  34   8.029   8.356  -5.492
  Start of MODEL   19
    1    H1   ASP   1          1HT       ASP   1 -11.466   9.323   1.016
    2    H2   ASP   1          2HT       ASP   1 -12.725   9.513  -0.090
    3    H3   ASP   1          3HT       ASP   1 -11.107   9.690  -0.573
    4    HA   ASP   1           HA       ASP   1 -12.257   7.208   0.468
    5    HB2  ASP   1           HB3      ASP   1 -11.810   8.143  -2.352
    6    HB3  ASP   1           HB2      ASP   1 -11.808   6.432  -1.952
    7    H    CYS   2           H        CYS   2 -10.857   5.366  -0.288
    8    HA   CYS   2           HA       CYS   2  -9.149   4.204   0.079
    9    HB2  CYS   2           HB3      CYS   2  -7.049   4.759  -0.992
   10    HB3  CYS   2           HB2      CYS   2  -8.401   4.662  -2.083
   11    H    LEU   3           H        LEU   3  -6.832   3.944   0.787
   12    HA   LEU   3           HA       LEU   3  -6.754   5.024   3.468
   13    HB2  LEU   3           HB3      LEU   3  -5.008   2.956   2.218
   14    HB3  LEU   3           HB2      LEU   3  -5.434   3.184   3.896
   15    HG   LEU   3           HG       LEU   3  -7.342   2.315   1.774
   16   HD11  LEU   3          HD11      LEU   3  -5.793   0.665   3.807
   17   HD12  LEU   3          HD12      LEU   3  -5.625   0.621   2.045
   18   HD13  LEU   3          HD13      LEU   3  -7.101   0.043   2.797
   19   HD21  LEU   3          HD21      LEU   3  -7.560   2.292   4.789
   20   HD22  LEU   3          HD22      LEU   3  -8.753   1.624   3.671
   21   HD23  LEU   3          HD23      LEU   3  -8.429   3.357   3.681
   22    H    GLY   4           H        GLY   4  -4.744   5.798   4.319
   23    HA2  GLY   4          2HA       GLY   4  -2.819   6.868   2.438
   24    HA3  GLY   4          1HA       GLY   4  -2.808   7.066   4.199
   25    H    TRP   5           H        TRP   5  -0.358   6.223   3.417
   26    HA   TRP   5           HA       TRP   5  -0.544   3.482   3.035
   27    HB2  TRP   5           HB3      TRP   5   1.560   3.570   2.339
   28    HB3  TRP   5           HB2      TRP   5   1.059   5.179   1.976
   29    HD1  TRP   5           HD       TRP   5   3.404   3.251   4.274
   30    HE1  TRP   5          1HE       TRP   5   5.165   4.783   5.152
   31    HE3  TRP   5          3HE       TRP   5   1.412   7.605   2.641
   32    HZ2  TRP   5          2HZ       TRP   5   5.676   7.624   5.211
   33    HZ3  TRP   5          3HZ       TRP   5   2.566   9.707   3.148
   34    HH2  TRP   5           HH       TRP   5   4.674   9.714   4.416
   35    H    PHE   6           H        PHE   6   1.248   2.319   4.278
   36    HA   PHE   6           HA       PHE   6   1.917   1.226   6.008
   37    HB2  PHE   6           HB3      PHE   6   2.425   3.534   7.059
   38    HB3  PHE   6           HB2      PHE   6   0.940   3.306   7.979
   39    HD1  PHE   6          1HD       PHE   6   0.872   1.830   9.851
   40    HD2  PHE   6          2HD       PHE   6   4.279   1.935   7.317
   41    HE1  PHE   6          1HE       PHE   6   2.096   0.423  11.442
   42    HE2  PHE   6          2HE       PHE   6   5.506   0.532   8.898
   43    HZ   PHE   6           HZ       PHE   6   4.426  -0.234  10.954
   44    H    LYS   7           H        LYS   7  -1.319   2.173   5.646
   45    HA   LYS   7           HA       LYS   7  -2.432   0.328   7.444
   46    HB2  LYS   7           HB3      LYS   7  -3.469   1.456   4.865
   47    HB3  LYS   7           HB2      LYS   7  -4.406   0.591   6.049
   48    HG2  LYS   7          2HG       LYS   7  -3.015   3.167   6.680
   49    HG3  LYS   7          1HG       LYS   7  -4.687   3.077   6.134
   50    HD2  LYS   7          2HD       LYS   7  -5.121   1.519   8.068
   51    HD3  LYS   7          1HD       LYS   7  -3.489   1.866   8.631
   52    HE2  LYS   7          2HE       LYS   7  -5.692   3.876   8.245
   53    HE3  LYS   7          1HE       LYS   7  -5.179   3.209   9.786
   54    HZ1  LYS   7          1HZ       LYS   7  -3.025   4.233   9.490
   55    HZ2  LYS   7          2HZ       LYS   7  -4.240   5.387   9.395
   56    HZ3  LYS   7          3HZ       LYS   7  -3.476   4.868   7.992
   57    H    SER   8           H        SER   8  -3.139  -1.577   6.922
   58    HA   SER   8           HA       SER   8  -1.477  -3.042   5.088
   59    HB2  SER   8           HB3      SER   8  -2.025  -3.953   7.351
   60    HB3  SER   8           HB2      SER   8  -3.693  -4.177   6.818
   61    HG   SER   8           HG       SER   8  -1.452  -5.310   5.493
   62    H    CYS   9           H        CYS   9  -2.302  -4.510   3.464
   63    HA   CYS   9           HA       CYS   9  -4.822  -3.847   2.339
   64    HB2  CYS   9           HB3      CYS   9  -3.578  -3.250   0.222
   65    HB3  CYS   9           HB2      CYS   9  -3.621  -2.028   1.489
   66    H    ASP  10           H        ASP  10  -4.725  -4.914   0.106
   67    HA   ASP  10           HA       ASP  10  -3.176  -7.407   0.182
   68    HB2  ASP  10           HB3      ASP  10  -5.735  -7.603   0.326
   69    HB3  ASP  10           HB2      ASP  10  -5.761  -6.945  -1.308
   70    HA   PRO  11           HA       PRO  11  -1.244  -5.146  -3.068
   71    HB2  PRO  11           HB3      PRO  11   0.244  -7.220  -4.106
   72    HB3  PRO  11           HB2      PRO  11   0.720  -6.223  -2.730
   73    HG2  PRO  11          2HG       PRO  11  -0.491  -8.944  -2.764
   74    HG3  PRO  11          1HG       PRO  11   0.717  -8.248  -1.666
   75    HD2  PRO  11          2HD       PRO  11  -1.882  -8.583  -1.000
   76    HD3  PRO  11          1HD       PRO  11  -0.870  -7.286  -0.332
   77    H    LYS  12           H        LYS  12  -3.151  -8.015  -3.652
   78    HA   LYS  12           HA       LYS  12  -3.153  -7.782  -6.465
   79    HB2  LYS  12           HB3      LYS  12  -3.682  -9.807  -4.856
   80    HB3  LYS  12           HB2      LYS  12  -5.297  -9.128  -4.872
   81    HG2  LYS  12          2HG       LYS  12  -5.179 -10.847  -6.509
   82    HG3  LYS  12          1HG       LYS  12  -5.284  -9.293  -7.345
   83    HD2  LYS  12          2HD       LYS  12  -3.557 -10.517  -8.474
   84    HD3  LYS  12          1HD       LYS  12  -2.797  -9.309  -7.422
   85    HE2  LYS  12          2HE       LYS  12  -2.332 -10.976  -5.735
   86    HE3  LYS  12          1HE       LYS  12  -3.112 -12.212  -6.713
   87    HZ1  LYS  12          1HZ       LYS  12  -0.687 -12.217  -6.895
   88    HZ2  LYS  12          2HZ       LYS  12  -0.718 -10.663  -7.519
   89    HZ3  LYS  12          3HZ       LYS  12  -1.411 -11.938  -8.389
   90    H    ASN  13           H        ASN  13  -4.916  -6.407  -3.814
   91    HA   ASN  13           HA       ASN  13  -6.453  -4.823  -5.696
   92    HB2  ASN  13           HB3      ASN  13  -7.929  -6.684  -4.973
   93    HB3  ASN  13           HB2      ASN  13  -7.691  -6.199  -3.301
   94   HD21  ASN  13          HD21      ASN  13  -9.205  -5.373  -6.313
   95   HD22  ASN  13          HD22      ASN  13 -10.266  -4.179  -5.682
   96    H    ASP  14           H        ASP  14  -4.946  -3.299  -5.174
   97    HA   ASP  14           HA       ASP  14  -4.225  -2.378  -2.621
   98    HB2  ASP  14           HB3      ASP  14  -3.096  -1.916  -4.779
   99    HB3  ASP  14           HB2      ASP  14  -4.414  -0.772  -5.128
  100    H    LYS  15           H        LYS  15  -5.034  -0.871  -1.379
  101    HA   LYS  15           HA       LYS  15  -7.684   0.244  -2.025
  102    HB2  LYS  15           HB3      LYS  15  -6.637  -0.958   0.507
  103    HB3  LYS  15           HB2      LYS  15  -8.016   0.123   0.501
  104    HG2  LYS  15          2HG       LYS  15  -7.879  -2.402  -1.123
  105    HG3  LYS  15          1HG       LYS  15  -8.533  -2.340   0.513
  106    HD2  LYS  15          2HD       LYS  15 -10.166  -0.642  -0.244
  107    HD3  LYS  15          1HD       LYS  15  -9.537  -0.805  -1.884
  108    HE2  LYS  15          2HE       LYS  15 -10.200  -3.108  -1.962
  109    HE3  LYS  15          1HE       LYS  15 -10.709  -3.063  -0.275
  110    HZ1  LYS  15          1HZ       LYS  15 -12.553  -2.896  -1.815
  111    HZ2  LYS  15          2HZ       LYS  15 -11.918  -1.462  -2.460
  112    HZ3  LYS  15          3HZ       LYS  15 -12.433  -1.513  -0.859
  113    H    CYS  16           H        CYS  16  -4.637   1.169  -1.797
  114    HA   CYS  16           HA       CYS  16  -5.109   3.342   0.060
  115    HB2  CYS  16           HB3      CYS  16  -2.555   2.274  -1.135
  116    HB3  CYS  16           HB2      CYS  16  -2.666   3.611   0.013
  117    H    CYS  17           H        CYS  17  -4.235   5.474  -0.599
  118    HA   CYS  17           HA       CYS  17  -5.361   6.120  -3.030
  119    HB2  CYS  17           HB3      CYS  17  -3.766   7.691  -1.029
  120    HB3  CYS  17           HB2      CYS  17  -4.622   8.381  -2.404
  121    H    LYS  18           H        LYS  18  -3.972   7.866  -4.309
  122    HA   LYS  18           HA       LYS  18  -2.098   6.471  -5.786
  123    HB2  LYS  18           HB3      LYS  18  -3.673   8.282  -6.579
  124    HB3  LYS  18           HB2      LYS  18  -2.652   9.441  -5.762
  125    HG2  LYS  18          2HG       LYS  18  -2.236   9.360  -8.185
  126    HG3  LYS  18          1HG       LYS  18  -0.808   8.943  -7.242
  127    HD2  LYS  18          2HD       LYS  18  -1.107   7.460  -9.198
  128    HD3  LYS  18          1HD       LYS  18  -1.163   6.578  -7.680
  129    HE2  LYS  18          2HE       LYS  18  -3.652   6.616  -7.812
  130    HE3  LYS  18          1HE       LYS  18  -3.515   7.413  -9.380
  131    HZ1  LYS  18          1HZ       LYS  18  -2.397   5.476 -10.239
  132    HZ2  LYS  18          2HZ       LYS  18  -3.868   5.020  -9.561
  133    HZ3  LYS  18          3HZ       LYS  18  -2.439   4.727  -8.724
  134    H    ASN  19           H        ASN  19  -0.002   7.105  -6.156
  135    HA   ASN  19           HA       ASN  19   2.160   7.584  -5.739
  136    HB2  ASN  19           HB3      ASN  19   1.204   9.229  -3.374
  137    HB3  ASN  19           HB2      ASN  19   2.878   9.127  -3.917
  138   HD21  ASN  19          HD21      ASN  19   1.271  11.502  -3.678
  139   HD22  ASN  19          HD22      ASN  19   1.114  12.180  -5.242
  140    H    TYR  20           H        TYR  20   0.198   6.507  -3.212
  141    HA   TYR  20           HA       TYR  20   2.306   5.016  -1.927
  142    HB2  TYR  20           HB3      TYR  20  -0.661   4.765  -1.455
  143    HB3  TYR  20           HB2      TYR  20   0.668   4.441  -0.357
  144    HD1  TYR  20          1HD       TYR  20   2.222   6.934  -0.439
  145    HD2  TYR  20          2HD       TYR  20  -1.986   6.351  -0.456
  146    HE1  TYR  20          1HE       TYR  20   1.911   9.164   0.531
  147    HE2  TYR  20          2HE       TYR  20  -2.302   8.585   0.513
  148    HH   TYR  20           HH       TYR  20   0.168  10.881   0.635
  149    H    THR  21           H        THR  21   2.144   2.675  -1.903
  150    HA   THR  21           HA       THR  21   0.218   1.415  -3.660
  151    HB   THR  21           HB       THR  21   3.160   0.891  -3.992
  152    HG1  THR  21          1HG       THR  21   1.597   2.842  -4.991
  153   HG21  THR  21          1HG2      THR  21   0.790   0.039  -5.675
  154   HG22  THR  21          2HG2      THR  21   1.726  -0.994  -4.598
  155   HG23  THR  21          3HG2      THR  21   2.477  -0.320  -6.044
  156    H    CYS  22           H        CYS  22  -0.122  -0.613  -3.064
  157    HA   CYS  22           HA       CYS  22   0.559  -1.415  -0.446
  158    HB2  CYS  22           HB3      CYS  22  -1.533  -1.951  -1.514
  159    HB3  CYS  22           HB2      CYS  22  -0.696  -3.034  -2.646
  160    H    SER  23           H        SER  23   1.998  -2.759   0.266
  161    HA   SER  23           HA       SER  23   3.997  -3.776  -1.612
  162    HB2  SER  23           HB3      SER  23   4.904  -2.296   0.100
  163    HB3  SER  23           HB2      SER  23   4.113  -3.223   1.367
  164    HG   SER  23           HG       SER  23   6.353  -3.671   1.144
  165    H    ARG  24           H        ARG  24   4.301  -5.946  -1.802
  166    HA   ARG  24           HA       ARG  24   2.479  -7.690  -0.355
  167    HB2  ARG  24           HB3      ARG  24   3.126  -7.875  -2.875
  168    HB3  ARG  24           HB2      ARG  24   4.644  -8.526  -2.305
  169    HG2  ARG  24          2HG       ARG  24   1.911  -9.782  -1.859
  170    HG3  ARG  24          1HG       ARG  24   3.080 -10.282  -3.064
  171    HD2  ARG  24          2HD       ARG  24   4.646 -10.805  -1.175
  172    HD3  ARG  24          1HD       ARG  24   3.316 -10.425  -0.079
  173    HE   ARG  24           HE       ARG  24   2.172 -12.245  -1.611
  174   HH11  ARG  24          1HH1      ARG  24   5.393 -12.304  -0.084
  175   HH12  ARG  24          2HH1      ARG  24   5.404 -14.000   0.082
  176   HH21  ARG  24          1HH2      ARG  24   2.260 -14.590  -1.367
  177   HH22  ARG  24          2HH2      ARG  24   3.617 -15.301  -0.630
  178    H    ARG  25           H        ARG  25   5.720  -6.673  -0.439
  179    HA   ARG  25           HA       ARG  25   6.992  -8.662   1.075
  180    HB2  ARG  25           HB3      ARG  25   8.127  -6.937  -0.296
  181    HB3  ARG  25           HB2      ARG  25   7.608  -5.714   0.857
  182    HG2  ARG  25          2HG       ARG  25   8.820  -6.997   2.596
  183    HG3  ARG  25          1HG       ARG  25   9.505  -7.976   1.289
  184    HD2  ARG  25          2HD       ARG  25  11.074  -6.237   1.853
  185    HD3  ARG  25          1HD       ARG  25  10.380  -5.874   0.271
  186    HE   ARG  25           HE       ARG  25   8.803  -4.540   2.102
  187   HH11  ARG  25          1HH1      ARG  25  12.224  -4.374   1.158
  188   HH12  ARG  25          2HH1      ARG  25  12.399  -2.768   1.690
  189   HH21  ARG  25          1HH2      ARG  25   9.045  -2.473   2.803
  190   HH22  ARG  25          2HH2      ARG  25  10.527  -1.606   2.618
  191    H    ASP  26           H        ASP  26   5.807  -5.454   1.941
  192    HA   ASP  26           HA       ASP  26   6.143  -5.942   4.780
  193    HB2  ASP  26           HB3      ASP  26   4.962  -3.536   3.362
  194    HB3  ASP  26           HB2      ASP  26   5.415  -3.616   5.056
  195    H    ARG  27           H        ARG  27   3.633  -5.999   2.409
  196    HA   ARG  27           HA       ARG  27   1.565  -6.489   2.319
  197    HB2  ARG  27           HB3      ARG  27   1.829  -7.564   5.138
  198    HB3  ARG  27           HB2      ARG  27   0.459  -7.789   4.023
  199    HG2  ARG  27          2HG       ARG  27   1.905  -8.914   2.457
  200    HG3  ARG  27          1HG       ARG  27   3.255  -8.735   3.574
  201    HD2  ARG  27          2HD       ARG  27   2.041 -10.074   5.232
  202    HD3  ARG  27          1HD       ARG  27   0.710 -10.265   4.086
  203    HE   ARG  27           HE       ARG  27   3.326 -11.065   3.170
  204   HH11  ARG  27          1HH1      ARG  27   0.248 -12.168   4.550
  205   HH12  ARG  27          2HH1      ARG  27   0.478 -13.787   4.108
  206   HH21  ARG  27          1HH2      ARG  27   3.608 -13.245   2.515
  207   HH22  ARG  27          2HH2      ARG  27   2.439 -14.430   2.880
  208    H    TRP  28           H        TRP  28   2.531  -3.965   3.375
  209    HA   TRP  28           HA       TRP  28  -0.105  -2.884   3.687
  210    HB2  TRP  28           HB3      TRP  28   0.611  -1.253   5.407
  211    HB3  TRP  28           HB2      TRP  28   0.686  -2.888   6.018
  212    HD1  TRP  28           HD       TRP  28   3.157  -0.227   4.598
  213    HE1  TRP  28          1HE       TRP  28   5.369  -0.436   5.942
  214    HE3  TRP  28          3HE       TRP  28   1.969  -4.210   7.570
  215    HZ2  TRP  28          2HZ       TRP  28   6.440  -2.046   7.953
  216    HZ3  TRP  28          3HZ       TRP  28   3.641  -5.013   9.186
  217    HH2  TRP  28           HH       TRP  28   5.837  -3.942   9.363
  218    H    CYS  29           H        CYS  29  -0.084  -0.533   3.169
  219    HA   CYS  29           HA       CYS  29   1.346  -0.229   0.775
  220    HB2  CYS  29           HB3      CYS  29  -0.483   1.452   2.393
  221    HB3  CYS  29           HB2      CYS  29   0.178   1.967   0.843
  222    H    LYS  30           H        LYS  30   2.956   1.178   0.346
  223    HA   LYS  30           HA       LYS  30   3.807   2.985   2.441
  224    HB2  LYS  30           HB3      LYS  30   5.630   1.202   0.831
  225    HB3  LYS  30           HB2      LYS  30   6.153   2.601   1.723
  226    HG2  LYS  30          2HG       LYS  30   5.482   1.561   3.819
  227    HG3  LYS  30          1HG       LYS  30   4.845   0.172   2.942
  228    HD2  LYS  30          2HD       LYS  30   7.072  -0.276   3.898
  229    HD3  LYS  30          1HD       LYS  30   7.059  -0.390   2.143
  230    HE2  LYS  30          2HE       LYS  30   9.054   0.769   2.910
  231    HE3  LYS  30          1HE       LYS  30   8.037   1.851   1.979
  232    HZ1  LYS  30          1HZ       LYS  30   7.259   2.850   4.079
  233    HZ2  LYS  30          2HZ       LYS  30   8.926   2.923   3.953
  234    HZ3  LYS  30          3HZ       LYS  30   8.214   1.765   4.946
  235    H    TYR  31           H        TYR  31   5.416   4.587   1.386
  236    HA   TYR  31           HA       TYR  31   4.030   5.663  -0.875
  237    HB2  TYR  31           HB3      TYR  31   5.005   7.119   0.943
  238    HB3  TYR  31           HB2      TYR  31   6.608   6.609   0.431
  239    HD1  TYR  31          1HD       TYR  31   3.813   8.809  -0.244
  240    HD2  TYR  31          2HD       TYR  31   7.460   7.308  -1.830
  241    HE1  TYR  31          1HE       TYR  31   3.833  10.614  -1.900
  242    HE2  TYR  31          2HE       TYR  31   7.494   9.110  -3.482
  243    HH   TYR  31           HH       TYR  31   5.777  10.526  -4.592
  244    H    ASP  32           H        ASP  32   4.522   5.177  -2.885
  245    HA   ASP  32           HA       ASP  32   7.035   3.753  -3.354
  246    HB2  ASP  32           HB3      ASP  32   5.039   2.491  -3.996
  247    HB3  ASP  32           HB2      ASP  32   4.506   3.822  -5.012
  248    H    LEU  33           H        LEU  33   4.964   5.694  -5.309
  249    HA   LEU  33           HA       LEU  33   6.998   7.702  -5.721
  250    HB2  LEU  33           HB3      LEU  33   6.049   5.971  -8.017
  251    HB3  LEU  33           HB2      LEU  33   6.776   7.542  -8.255
  252    HG   LEU  33           HG       LEU  33   8.155   5.173  -6.980
  253   HD11  LEU  33          HD11      LEU  33   8.485   6.389  -9.716
  254   HD12  LEU  33          HD12      LEU  33   7.714   4.841  -9.371
  255   HD13  LEU  33          HD13      LEU  33   9.435   5.062  -9.047
  256   HD21  LEU  33          HD21      LEU  33  10.177   6.558  -7.256
  257   HD22  LEU  33          HD22      LEU  33   9.019   7.275  -6.143
  258   HD23  LEU  33          HD23      LEU  33   9.162   7.898  -7.788
  259    HN1  NH2  34           HN1      NH2  34   4.268   6.794  -7.714
  260    HN2  NH2  34           HN2      NH2  34   3.329   8.211  -7.379
  Start of MODEL   20
    1    H1   ASP   1          1HT       ASP   1 -13.888   6.087  -0.505
    2    H2   ASP   1          2HT       ASP   1 -13.068   4.841   0.304
    3    H3   ASP   1          3HT       ASP   1 -12.881   5.028  -1.343
    4    HA   ASP   1           HA       ASP   1 -11.766   7.110  -1.089
    5    HB2  ASP   1           HB3      ASP   1 -12.097   6.554   1.867
    6    HB3  ASP   1           HB2      ASP   1 -11.100   7.831   1.186
    7    H    CYS   2           H        CYS   2  -9.451   7.184  -0.578
    8    HA   CYS   2           HA       CYS   2  -8.488   4.470  -0.478
    9    HB2  CYS   2           HB3      CYS   2  -6.355   5.379  -1.053
   10    HB3  CYS   2           HB2      CYS   2  -7.569   5.646  -2.293
   11    H    LEU   3           H        LEU   3  -6.269   4.311   0.557
   12    HA   LEU   3           HA       LEU   3  -6.842   4.786   3.349
   13    HB2  LEU   3           HB3      LEU   3  -4.799   3.113   2.037
   14    HB3  LEU   3           HB2      LEU   3  -5.395   2.994   3.681
   15    HG   LEU   3           HG       LEU   3  -6.961   2.461   1.199
   16   HD11  LEU   3          HD11      LEU   3  -5.264   0.722   1.598
   17   HD12  LEU   3          HD12      LEU   3  -6.858   0.059   1.966
   18   HD13  LEU   3          HD13      LEU   3  -5.790   0.563   3.273
   19   HD21  LEU   3          HD21      LEU   3  -8.397   3.245   2.993
   20   HD22  LEU   3          HD22      LEU   3  -7.717   2.054   4.103
   21   HD23  LEU   3          HD23      LEU   3  -8.682   1.528   2.722
   22    H    GLY   4           H        GLY   4  -5.551   5.951   4.590
   23    HA2  GLY   4          2HA       GLY   4  -3.092   7.112   3.671
   24    HA3  GLY   4          1HA       GLY   4  -3.731   7.139   5.337
   25    H    TRP   5           H        TRP   5  -1.097   6.054   3.947
   26    HA   TRP   5           HA       TRP   5  -1.334   3.396   3.916
   27    HB2  TRP   5           HB3      TRP   5   0.791   3.402   3.175
   28    HB3  TRP   5           HB2      TRP   5   0.236   4.991   2.763
   29    HD1  TRP   5           HD       TRP   5   2.824   3.182   4.647
   30    HE1  TRP   5          1HE       TRP   5   4.540   4.774   5.595
   31    HE3  TRP   5          3HE       TRP   5   0.327   7.543   3.837
   32    HZ2  TRP   5          2HZ       TRP   5   4.814   7.584   6.006
   33    HZ3  TRP   5          3HZ       TRP   5   1.383   9.653   4.549
   34    HH2  TRP   5           HH       TRP   5   3.577   9.671   5.609
   35    H    PHE   6           H        PHE   6   0.592   2.164   5.019
   36    HA   PHE   6           HA       PHE   6   1.125   0.847   6.682
   37    HB2  PHE   6           HB3      PHE   6   0.320   3.142   8.435
   38    HB3  PHE   6           HB2      PHE   6   0.611   1.545   9.115
   39    HD1  PHE   6          1HD       PHE   6   2.100   4.589   8.075
   40    HD2  PHE   6          2HD       PHE   6   2.856   0.443   8.595
   41    HE1  PHE   6          1HE       PHE   6   4.520   5.037   8.153
   42    HE2  PHE   6          2HE       PHE   6   5.267   0.877   8.672
   43    HZ   PHE   6           HZ       PHE   6   6.104   3.180   8.453
   44    H    LYS   7           H        LYS   7  -1.923   1.411   5.776
   45    HA   LYS   7           HA       LYS   7  -3.218  -0.332   7.615
   46    HB2  LYS   7           HB3      LYS   7  -4.092   0.559   4.873
   47    HB3  LYS   7           HB2      LYS   7  -5.086  -0.089   6.160
   48    HG2  LYS   7          2HG       LYS   7  -3.642   2.514   6.319
   49    HG3  LYS   7          1HG       LYS   7  -5.312   2.345   5.813
   50    HD2  LYS   7          2HD       LYS   7  -5.838   1.346   8.004
   51    HD3  LYS   7          1HD       LYS   7  -4.152   1.552   8.485
   52    HE2  LYS   7          2HE       LYS   7  -6.034   3.748   7.672
   53    HE3  LYS   7          1HE       LYS   7  -5.594   3.364   9.339
   54    HZ1  LYS   7          1HZ       LYS   7  -4.334   5.243   8.424
   55    HZ2  LYS   7          2HZ       LYS   7  -3.691   4.291   7.222
   56    HZ3  LYS   7          3HZ       LYS   7  -3.304   3.988   8.837
   57    H    SER   8           H        SER   8  -3.870  -2.331   7.034
   58    HA   SER   8           HA       SER   8  -2.113  -3.909   5.470
   59    HB2  SER   8           HB3      SER   8  -4.740  -4.566   6.778
   60    HB3  SER   8           HB2      SER   8  -3.494  -5.697   6.263
   61    HG   SER   8           HG       SER   8  -2.321  -3.923   7.829
   62    H    CYS   9           H        CYS   9  -2.536  -4.755   3.402
   63    HA   CYS   9           HA       CYS   9  -5.072  -4.634   2.214
   64    HB2  CYS   9           HB3      CYS   9  -4.082  -3.279   0.307
   65    HB3  CYS   9           HB2      CYS   9  -4.588  -2.362   1.715
   66    H    ASP  10           H        ASP  10  -4.477  -5.105  -0.261
   67    HA   ASP  10           HA       ASP  10  -2.259  -7.020  -0.253
   68    HB2  ASP  10           HB3      ASP  10  -4.449  -8.212  -0.237
   69    HB3  ASP  10           HB2      ASP  10  -4.892  -7.358  -1.715
   70    HA   PRO  11           HA       PRO  11  -0.714  -4.535  -3.579
   71    HB2  PRO  11           HB3      PRO  11   0.132  -6.790  -5.117
   72    HB3  PRO  11           HB2      PRO  11   1.118  -5.704  -4.138
   73    HG2  PRO  11          2HG       PRO  11   0.111  -8.386  -3.500
   74    HG3  PRO  11          1HG       PRO  11   1.435  -7.448  -2.782
   75    HD2  PRO  11          2HD       PRO  11  -0.930  -7.947  -1.529
   76    HD3  PRO  11          1HD       PRO  11   0.096  -6.539  -1.185
   77    H    LYS  12           H        LYS  12  -2.744  -7.442  -4.438
   78    HA   LYS  12           HA       LYS  12  -3.358  -6.340  -6.987
   79    HB2  LYS  12           HB3      LYS  12  -4.228  -8.713  -5.419
   80    HB3  LYS  12           HB2      LYS  12  -4.837  -8.317  -7.008
   81    HG2  LYS  12          2HG       LYS  12  -2.533  -8.505  -7.886
   82    HG3  LYS  12          1HG       LYS  12  -1.988  -8.959  -6.267
   83    HD2  LYS  12          2HD       LYS  12  -3.482 -10.874  -6.298
   84    HD3  LYS  12          1HD       LYS  12  -4.036 -10.424  -7.912
   85    HE2  LYS  12          2HE       LYS  12  -1.725 -10.687  -8.731
   86    HE3  LYS  12          1HE       LYS  12  -1.243 -11.235  -7.125
   87    HZ1  LYS  12          1HZ       LYS  12  -3.226 -12.559  -8.890
   88    HZ2  LYS  12          2HZ       LYS  12  -2.796 -13.087  -7.354
   89    HZ3  LYS  12          3HZ       LYS  12  -1.660 -13.089  -8.591
   90    H    ASN  13           H        ASN  13  -4.468  -6.043  -3.839
   91    HA   ASN  13           HA       ASN  13  -7.054  -4.995  -4.773
   92    HB2  ASN  13           HB3      ASN  13  -7.149  -7.174  -3.361
   93    HB3  ASN  13           HB2      ASN  13  -6.598  -6.176  -2.019
   94   HD21  ASN  13          HD21      ASN  13  -8.484  -6.520  -0.866
   95   HD22  ASN  13          HD22      ASN  13  -9.983  -5.786  -1.305
   96    H    ASP  14           H        ASP  14  -5.370  -3.289  -5.019
   97    HA   ASP  14           HA       ASP  14  -4.353  -2.019  -2.636
   98    HB2  ASP  14           HB3      ASP  14  -3.075  -2.186  -4.703
   99    HB3  ASP  14           HB2      ASP  14  -4.253  -1.124  -5.497
  100    H    LYS  15           H        LYS  15  -5.188  -0.478  -1.699
  101    HA   LYS  15           HA       LYS  15  -7.361   1.111  -2.879
  102    HB2  LYS  15           HB3      LYS  15  -7.267  -0.230  -0.206
  103    HB3  LYS  15           HB2      LYS  15  -8.086   1.310  -0.338
  104    HG2  LYS  15          2HG       LYS  15  -9.725  -0.432  -0.490
  105    HG3  LYS  15          1HG       LYS  15  -9.558   0.287  -2.085
  106    HD2  LYS  15          2HD       LYS  15  -8.147  -1.585  -2.777
  107    HD3  LYS  15          1HD       LYS  15  -8.302  -2.296  -1.171
  108    HE2  LYS  15          2HE       LYS  15  -9.849  -3.360  -2.712
  109    HE3  LYS  15          1HE       LYS  15 -10.730  -2.454  -1.486
  110    HZ1  LYS  15          1HZ       LYS  15 -11.022  -0.657  -3.115
  111    HZ2  LYS  15          2HZ       LYS  15 -11.709  -2.076  -3.602
  112    HZ3  LYS  15          3HZ       LYS  15 -10.255  -1.590  -4.303
  113    H    CYS  16           H        CYS  16  -4.405   1.438  -2.481
  114    HA   CYS  16           HA       CYS  16  -4.181   3.513  -0.516
  115    HB2  CYS  16           HB3      CYS  16  -2.250   2.456  -2.581
  116    HB3  CYS  16           HB2      CYS  16  -1.857   3.600  -1.302
  117    H    CYS  17           H        CYS  17  -3.575   5.677  -1.073
  118    HA   CYS  17           HA       CYS  17  -4.864   6.768  -3.346
  119    HB2  CYS  17           HB3      CYS  17  -2.881   8.107  -1.500
  120    HB3  CYS  17           HB2      CYS  17  -4.172   8.818  -2.440
  121    H    LYS  18           H        LYS  18  -3.206   8.651  -4.294
  122    HA   LYS  18           HA       LYS  18  -1.494   7.226  -6.000
  123    HB2  LYS  18           HB3      LYS  18  -2.706   9.276  -6.655
  124    HB3  LYS  18           HB2      LYS  18  -1.715  10.199  -5.533
  125    HG2  LYS  18          2HG       LYS  18  -0.977  10.500  -7.846
  126    HG3  LYS  18          1HG       LYS  18   0.265   9.721  -6.873
  127    HD2  LYS  18          2HD       LYS  18   0.100   8.683  -9.077
  128    HD3  LYS  18          1HD       LYS  18  -0.354   7.540  -7.823
  129    HE2  LYS  18          2HE       LYS  18  -1.862   7.357  -9.718
  130    HE3  LYS  18          1HE       LYS  18  -2.731   7.976  -8.321
  131    HZ1  LYS  18          1HZ       LYS  18  -3.297   9.142 -10.343
  132    HZ2  LYS  18          2HZ       LYS  18  -1.707   9.624 -10.572
  133    HZ3  LYS  18          3HZ       LYS  18  -2.583  10.203  -9.260
  134    H    ASN  19           H        ASN  19   0.582   7.247  -6.063
  135    HA   ASN  19           HA       ASN  19   2.763   7.166  -5.497
  136    HB2  ASN  19           HB3      ASN  19   2.084   9.331  -3.512
  137    HB3  ASN  19           HB2      ASN  19   3.693   8.629  -3.640
  138   HD21  ASN  19          HD21      ASN  19   4.651  10.522  -4.292
  139   HD22  ASN  19          HD22      ASN  19   4.393  11.218  -5.842
  140    H    TYR  20           H        TYR  20   0.493   6.703  -3.034
  141    HA   TYR  20           HA       TYR  20   2.270   4.972  -1.610
  142    HB2  TYR  20           HB3      TYR  20  -0.715   5.276  -1.297
  143    HB3  TYR  20           HB2      TYR  20   0.420   4.528  -0.186
  144    HD1  TYR  20          1HD       TYR  20   2.529   6.325   0.266
  145    HD2  TYR  20          2HD       TYR  20  -1.551   7.235  -0.430
  146    HE1  TYR  20          1HE       TYR  20   2.815   8.451   1.438
  147    HE2  TYR  20          2HE       TYR  20  -1.282   9.382   0.735
  148    HH   TYR  20           HH       TYR  20   1.745  10.672   1.499
  149    H    THR  21           H        THR  21   1.970   2.771  -1.516
  150    HA   THR  21           HA       THR  21   0.356   1.513  -3.596
  151    HB   THR  21           HB       THR  21   3.249   0.895  -3.209
  152    HG1  THR  21          1HG       THR  21   1.996   2.892  -4.674
  153   HG21  THR  21          1HG2      THR  21   3.046  -0.129  -5.449
  154   HG22  THR  21          2HG2      THR  21   1.343   0.325  -5.488
  155   HG23  THR  21          3HG2      THR  21   1.920  -0.835  -4.292
  156    H    CYS  22           H        CYS  22  -0.158  -0.524  -2.958
  157    HA   CYS  22           HA       CYS  22   0.525  -1.224  -0.269
  158    HB2  CYS  22           HB3      CYS  22  -1.704  -1.564  -1.182
  159    HB3  CYS  22           HB2      CYS  22  -1.064  -2.861  -2.222
  160    H    SER  23           H        SER  23   1.982  -2.425   0.287
  161    HA   SER  23           HA       SER  23   3.893  -3.323  -1.700
  162    HB2  SER  23           HB3      SER  23   4.674  -1.893   0.101
  163    HB3  SER  23           HB2      SER  23   4.051  -3.016   1.300
  164    HG   SER  23           HG       SER  23   6.330  -3.135   0.916
  165    H    ARG  24           H        ARG  24   4.479  -5.403  -2.008
  166    HA   ARG  24           HA       ARG  24   2.916  -7.547  -0.748
  167    HB2  ARG  24           HB3      ARG  24   3.818  -7.237  -3.291
  168    HB3  ARG  24           HB2      ARG  24   5.194  -8.077  -2.611
  169    HG2  ARG  24          2HG       ARG  24   2.353  -9.116  -2.769
  170    HG3  ARG  24          1HG       ARG  24   3.719  -9.618  -3.741
  171    HD2  ARG  24          2HD       ARG  24   4.766 -10.597  -1.780
  172    HD3  ARG  24          1HD       ARG  24   3.448  -9.996  -0.763
  173    HE   ARG  24           HE       ARG  24   2.482 -11.510  -2.942
  174   HH11  ARG  24          1HH1      ARG  24   3.995 -11.992   0.239
  175   HH12  ARG  24          2HH1      ARG  24   3.212 -13.454   0.539
  176   HH21  ARG  24          1HH2      ARG  24   1.425 -13.545  -2.535
  177   HH22  ARG  24          2HH2      ARG  24   1.709 -14.372  -1.083
  178    H    ARG  25           H        ARG  25   5.915  -6.014  -0.870
  179    HA   ARG  25           HA       ARG  25   7.679  -7.782   0.403
  180    HB2  ARG  25           HB3      ARG  25   8.371  -5.933  -0.965
  181    HB3  ARG  25           HB2      ARG  25   7.533  -4.806   0.065
  182    HG2  ARG  25          2HG       ARG  25   9.106  -5.332   1.864
  183    HG3  ARG  25          1HG       ARG  25  10.011  -6.351   0.727
  184    HD2  ARG  25          2HD       ARG  25  10.952  -4.044   0.870
  185    HD3  ARG  25          1HD       ARG  25  10.368  -4.449  -0.746
  186    HE   ARG  25           HE       ARG  25   8.662  -2.949   1.134
  187   HH11  ARG  25          1HH1      ARG  25  10.422  -3.024  -1.967
  188   HH12  ARG  25          2HH1      ARG  25   9.555  -1.718  -2.624
  189   HH21  ARG  25          1HH2      ARG  25   7.557  -1.100   0.206
  190   HH22  ARG  25          2HH2      ARG  25   7.967  -0.578  -1.386
  191    H    ASP  26           H        ASP  26   5.975  -4.936   1.548
  192    HA   ASP  26           HA       ASP  26   6.593  -5.534   4.347
  193    HB2  ASP  26           HB3      ASP  26   5.038  -3.212   3.177
  194    HB3  ASP  26           HB2      ASP  26   5.578  -3.359   4.841
  195    H    ARG  27           H        ARG  27   4.037  -5.839   2.095
  196    HA   ARG  27           HA       ARG  27   2.088  -6.694   2.054
  197    HB2  ARG  27           HB3      ARG  27   2.616  -7.667   4.863
  198    HB3  ARG  27           HB2      ARG  27   1.224  -8.072   3.853
  199    HG2  ARG  27          2HG       ARG  27   2.626  -9.144   2.229
  200    HG3  ARG  27          1HG       ARG  27   4.074  -8.658   3.110
  201    HD2  ARG  27          2HD       ARG  27   1.916 -10.480   4.154
  202    HD3  ARG  27          1HD       ARG  27   3.478 -11.000   3.523
  203    HE   ARG  27           HE       ARG  27   4.160  -9.258   5.447
  204   HH11  ARG  27          1HH1      ARG  27   1.984 -12.051   5.497
  205   HH12  ARG  27          2HH1      ARG  27   2.292 -12.440   7.119
  206   HH21  ARG  27          1HH2      ARG  27   4.587  -9.791   7.666
  207   HH22  ARG  27          2HH2      ARG  27   3.821 -11.121   8.390
  208    H    TRP  28           H        TRP  28   2.687  -3.964   3.420
  209    HA   TRP  28           HA       TRP  28  -0.123  -3.474   3.611
  210    HB2  TRP  28           HB3      TRP  28   0.178  -1.889   5.511
  211    HB3  TRP  28           HB2      TRP  28   0.471  -3.558   5.957
  212    HD1  TRP  28           HD       TRP  28   2.607  -0.453   4.962
  213    HE1  TRP  28          1HE       TRP  28   4.729  -0.494   6.433
  214    HE3  TRP  28          3HE       TRP  28   1.772  -4.797   7.508
  215    HZ2  TRP  28          2HZ       TRP  28   5.871  -2.130   8.393
  216    HZ3  TRP  28          3HZ       TRP  28   3.432  -5.520   9.180
  217    HH2  TRP  28           HH       TRP  28   5.434  -4.211   9.602
  218    H    CYS  29           H        CYS  29  -0.344  -0.959   3.698
  219    HA   CYS  29           HA       CYS  29   0.774  -0.159   1.231
  220    HB2  CYS  29           HB3      CYS  29  -1.564   0.233   1.972
  221    HB3  CYS  29           HB2      CYS  29  -0.926   1.404   3.127
  222    H    LYS  30           H        LYS  30   2.290   1.267   0.840
  223    HA   LYS  30           HA       LYS  30   3.339   3.118   2.831
  224    HB2  LYS  30           HB3      LYS  30   4.928   0.931   1.546
  225    HB3  LYS  30           HB2      LYS  30   5.682   2.458   1.931
  226    HG2  LYS  30          2HG       LYS  30   5.135   2.030   4.335
  227    HG3  LYS  30          1HG       LYS  30   4.449   0.470   3.833
  228    HD2  LYS  30          2HD       LYS  30   6.506  -0.374   3.130
  229    HD3  LYS  30          1HD       LYS  30   7.248   1.219   3.066
  230    HE2  LYS  30          2HE       LYS  30   6.343  -0.054   5.639
  231    HE3  LYS  30          1HE       LYS  30   7.951  -0.310   4.970
  232    HZ1  LYS  30          1HZ       LYS  30   8.310   2.098   5.071
  233    HZ2  LYS  30          2HZ       LYS  30   8.001   1.484   6.577
  234    HZ3  LYS  30          3HZ       LYS  30   6.809   2.338   5.772
  235    H    TYR  31           H        TYR  31   4.915   4.607   1.754
  236    HA   TYR  31           HA       TYR  31   4.000   5.424  -0.863
  237    HB2  TYR  31           HB3      TYR  31   4.763   7.020   0.948
  238    HB3  TYR  31           HB2      TYR  31   6.369   6.334   0.804
  239    HD1  TYR  31          1HD       TYR  31   4.013   8.708  -0.505
  240    HD2  TYR  31          2HD       TYR  31   7.687   6.728  -1.300
  241    HE1  TYR  31          1HE       TYR  31   4.579  10.423  -2.149
  242    HE2  TYR  31          2HE       TYR  31   8.251   8.436  -2.956
  243    HH   TYR  31           HH       TYR  31   7.095  10.036  -4.362
  244    H    ASP  32           H        ASP  32   4.710   4.362  -2.630
  245    HA   ASP  32           HA       ASP  32   7.472   3.392  -2.628
  246    HB2  ASP  32           HB3      ASP  32   5.980   1.502  -1.863
  247    HB3  ASP  32           HB2      ASP  32   5.199   1.580  -3.437
  248    H    LEU  33           H        LEU  33   4.638   3.115  -4.616
  249    HA   LEU  33           HA       LEU  33   6.196   4.343  -6.771
  250    HB2  LEU  33           HB3      LEU  33   5.949   1.940  -7.153
  251    HB3  LEU  33           HB2      LEU  33   4.211   2.078  -7.019
  252    HG   LEU  33           HG       LEU  33   4.158   3.424  -9.079
  253   HD11  LEU  33          HD11      LEU  33   7.118   2.887  -9.162
  254   HD12  LEU  33          HD12      LEU  33   6.347   4.459  -8.923
  255   HD13  LEU  33          HD13      LEU  33   6.160   3.606 -10.455
  256   HD21  LEU  33          HD21      LEU  33   3.908   1.007  -9.201
  257   HD22  LEU  33          HD22      LEU  33   5.656   0.825  -9.359
  258   HD23  LEU  33          HD23      LEU  33   4.733   1.634 -10.626
  259    HN1  NH2  34           HN1      NH2  34   2.816   3.364  -6.698
  260    HN2  NH2  34           HN2      NH2  34   2.162   4.948  -6.897