*HEADER    TOXIN                                   07-DEC-17   6BTV              
*TITLE     SOLUTION NMR STRUCTURES FOR CCOTX-II                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BETA-THERAPHOTOXIN-CM1B;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: BETA-TRTX-CM1B,CERATOTOXIN-2,CCOTX2;                        
*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   09-MAY-18 6BTV    0                                                
# Restraints file 1: dihedrals.tbl
#Dihedral angles
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0  -78.8   39.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  141.2   33.9 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0  -66.2   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 -142.7   22.4 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  158.8   20.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0  -99.0   41.1 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  138.4   41.4 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -68.3   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  -50.0   24.9 2     !-83.1   24.9 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0   59.0   20.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    ) (resid 21    and name N    )    1.0  144.4   33.5 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0 -142.0   36.8 2    !-101.9   36.8 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0  140.8   31.3 2
assign (resid 21    and name C    ) (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    )    1.0  -72.6   30.0 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    ) (resid 23    and name N    )    1.0  141.6   38.5 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -90.6   33.4 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    ) (resid 24    and name N    )    1.0  150.0   25.0 2    !123.3   24.4 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0  -87.0   20.0 2     !-62.0   20.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  -37.7   20.0 2
assign (resid 24    and name C    ) (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    )    1.0  -64.8   20.0 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    ) (resid 26    and name N    )    1.0  -34.7   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  -81.6   35.5 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  -18.0   34.6 2
assign (resid 30    and name C    ) (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    )    1.0  -71.5   22.9 2
assign (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    ) (resid 32    and name N    )    1.0  135.1   20.0 2
assign (resid 31    and name C    ) (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name C    )    1.0  -73.1   20.0 2
assign (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name C    ) (resid 33    and name N    )    1.0  132.3   22.8 2
assign (resid 32    and name C    ) (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name C    )    1.0  -79.7   28.1 2
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name CB   ) (resid 27    and name CG   )    1.0  -60.0   30.0 2
assign (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name CB   ) (resid 28    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 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name CB   ) (resid 6     and name CG   )    1.0  -60.0   30.0 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name CB   ) (resid 22    and name SG   )    1.0   60.0   30.0 2 
assign (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name CB   ) (resid 30    and name CG   )    1.0  180.0   30.0 2
assign (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name CB   ) (resid 18    and name CG   )    1.0  180.0   30.0 2
# Restraints file 2: unambig.tbl
#H proton - H proton
assign (resid 21    and name HN   ) (resid 21    and name HB   )    3.42    3.42    0.00
assign (resid 21    and name HA   ) (resid 22    and name HN   )    2.77    2.77    0.00
assign (resid 22    and name HN   ) (resid 22    and name HB2  )    3.40    3.40    0.00   !3.17    3.17    0.00
assign (resid 22    and name HN   ) (resid 22    and name HB1  )    3.17    3.17    0.00
assign (resid 22    and name HA   ) (resid 23    and name HN   )    2.56    2.56    0.00
assign (resid 23    and name HN   ) (resid 23    and name HB2  )    2.90    2.90    0.00
assign (resid 23    and name HN   ) (resid 23    and name HB1  )    2.90    2.90    0.00
assign (resid 23    and name HN   ) (resid 23    and name HA   )    2.90    2.90    0.00
assign (resid 23    and name HA   ) (resid 24    and name HN   )    2.43    2.43    0.00
assign (resid 18    and name HA   ) (resid 20    and name HN   )    3.70    3.70    0.00    !3.36    3.36    0.00
assign (resid 20    and name HN   ) (resid 20    and name HB2  )    3.61    3.61    0.00
assign (resid 20    and name HN   ) (resid 20    and name HB1  )    3.61    3.61    0.00
assign (resid 20    and name HA   ) (resid 21    and name HN   )    2.65    2.65    0.00
assign (resid 10    and name HN   ) (resid 10    and name HB2  )    3.11    3.11    0.00
assign (resid 10    and name HN   ) (resid 10    and name HB1  )    3.11    3.11    0.00
assign (resid 9     and name HA   ) (resid 10    and name HN   )    2.80    2.80    0.00
assign (resid 9     and name HN   ) (resid 9     and name HB2  )    3.58    3.58    0.00
assign (resid 9     and name HN   ) (resid 9     and name HB1  )    3.58    3.58    0.00
assign (resid 13    and name HA   ) (resid 14    and name HN   )    2.59    2.59    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB2  )    2.90    2.90    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB1  )    3.20    3.20    0.00   !2.90    2.90    0.00
assign (resid 6     and name HA   ) (resid 7     and name HN   )    3.45    3.45    0.00
assign (resid 6     and name HN   ) (resid 6     and name HA   )    3.00    3.00    0.00   !2.65    2.65    0.00
assign (resid 6     and name HN   ) (resid 6     and name HB1  )    4.07    4.07    0.00
assign (resid 6     and name HN   ) (resid 6     and name HB2  )    4.07    4.07    0.00
assign (resid 5     and name HA   ) (resid 6     and name HN   )    3.30    3.30    0.00      !2.56    2.56    0.00
assign (resid 29    and name HN   ) (resid 29    and name HB2  )    3.08    3.08    0.00
!assign (resid 5     and name HA   ) (resid 29    and name HN   )    4.42    4.42    0.00   !clash
assign (resid 4     and name HN   ) (resid 4     and name HA1  )    2.93    2.93    0.00
assign (resid 4     and name HN   ) (resid 4     and name HA2  )    2.93    2.93    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB2  )    3.30    3.30    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB1  )    3.70    3.70    0.0      !3.30    3.30    0.00
assign (resid 2     and name HN   ) (resid 2     and name HB2  )    3.79    3.79    0.00
assign (resid 2     and name HN   ) (resid 2     and name HB1  )    3.79    3.79    0.00
assign (resid 1     and name HB2  ) (resid 2     and name HN   )    3.73    3.73    0.00
assign (resid 1     and name HB1  ) (resid 2     and name HN   )    3.73    3.73    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB2  )    2.68    2.68    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB1  )    2.68    2.68    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB2  )    2.96    2.96    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB1  )    2.96    2.96    0.00
!assign (resid 14    and name HA   ) (resid 16    and name HN   )    3.83    3.83    0.00
assign (resid 14    and name HA   ) (resid 15    and name HN   )    2.62    2.62    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB2  )    3.55    3.55    0.00
assign (resid 15    and name HA   ) (resid 16    and name HN   )    3.30    3.30    0.00
assign (resid 16    and name HA   ) (resid 17    and name HN   )    2.52    2.52    0.00
assign (resid 12    and name HA   ) (resid 13    and name HN   )    3.27    3.27    0.00
assign (resid 18    and name HN   ) (resid 18    and name HA   )    2.93    2.93    0.00
assign (resid 19    and name HN   ) (resid 19    and name HA   )    2.59    2.59    0.00
assign (resid 27    and name HN   ) (resid 27    and name HA   )    2.52    2.52    0.00
assign (resid 27    and name HA   ) (resid 28    and name HN   )    3.21    3.21    0.00
assign (resid 28    and name HN   ) (resid 28    and name HB2  )    3.73    3.73    0.00
assign (resid 28    and name HN   ) (resid 28    and name HB1  )    3.73    3.73    0.00
assign (resid 28    and name HA   ) (resid 28    and name HB2  )    2.83    2.83    0.00
assign (resid 28    and name HA   ) (resid 28    and name HB1  )    2.83    2.83    0.00
assign (resid 28    and name HA   ) (resid 29    and name HN   )    2.59    2.59    0.00
assign (resid 29    and name HN   ) (resid 29    and name HB1  )    3.08    3.08    0.00
assign (resid 25    and name HN   ) (resid 25    and name HB2  )    2.93    2.93    0.00
assign (resid 25    and name HN   ) (resid 25    and name HB1  )    2.93    2.93    0.00
assign (resid 29    and name HA   ) (resid 30    and name HN   )    2.52    2.52    0.00
assign (resid 30    and name HN   ) (resid 30    and name HB2  )    3.42    3.42    0.00
assign (resid 30    and name HN   ) (resid 30    and name HB1  )    3.42    3.42    0.00
assign (resid 33    and name HN   ) (resid 33    and name HB2  )    3.70    3.70    0.00
assign (resid 33    and name HN   ) (resid 33    and name HB1  )    3.70    3.70    0.00
assign (resid 32    and name HA   ) (resid 33    and name HN   )    2.93    2.93    0.00
assign (resid 32    and name HN   ) (resid 32    and name HB2  )    3.14    3.14    0.00
assign (resid 32    and name HN   ) (resid 32    and name HB1  )    3.14    3.14    0.00
assign (resid 20    and name HA   ) (resid 32    and name HN   )    3.05    3.05    0.00
assign (resid 31    and name HN   ) (resid 31    and name HB1  )    2.96    2.96    0.00
assign (resid 31    and name HN   ) (resid 31    and name HB2  )    2.96    2.96    0.00
assign (resid 19    and name HA   ) (resid 20    and name HN   )    3.45    3.45    0.00
assign (resid 2     and name HB1  ) (resid 3     and name HN   )    3.27    3.27    0.00
assign (resid 3     and name HA   ) (resid 4     and name HN   )    2.59    2.59    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB1  )    3.60    3.60    0.00     !3.27    3.27    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB2  )    3.27    3.27    0.00
assign (resid 5     and name HN   ) (resid 5     and name HA   )    2.62    2.62    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB2  )    2.77    2.77    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB1  )    2.77    2.77    0.00
assign (resid 5     and name HA   ) (resid 5     and name HB1  )    2.96    2.96    0.00
assign (resid 5     and name HA   ) (resid 5     and name HB2  )    2.96    2.96    0.00
assign (resid 7     and name HA   ) (resid 8     and name HN   )    2.40    2.40    0.00
assign (resid 8     and name HA   ) (resid 9     and name HN   )    2.49    2.49    0.00
assign (resid 20    and name HB1  ) (resid 21    and name HN   )    3.55    3.55    0.00
assign (resid 21    and name HN   ) (resid 31    and name HA   )    4.01    4.01    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB2  )    3.33    3.33    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB1  )    3.33    3.33    0.00
assign (resid 27    and name HN   ) (resid 27    and name HB2  )    3.70    3.70    0.00
assign (resid 27    and name HN   ) (resid 27    and name HB1  )    3.70    3.70    0.00
assign (resid 24    and name HN   ) (resid 24    and name HB2  )    3.27    3.27    0.00
assign (resid 24    and name HN   ) (resid 24    and name HB1  )    3.27    3.27    0.00
assign (resid 17    and name HA   ) (resid 18    and name HN   )    3.00    3.00    0.00    !2.59    2.59    0.00
assign (resid 18    and name HA   ) (resid 19    and name HN   )    2.40    2.40    0.00
assign (resid 2     and name HA   ) (resid 3     and name HN   )    2.65    2.65    0.00
assign (resid 31    and name HA   ) (resid 32    and name HN   )    2.52    2.52    0.00
assign (resid 30    and name HA   ) (resid 31    and name HN   )    2.68    2.68    0.00
assign (resid 1     and name HA   ) (resid 2     and name HN   )    2.74    2.74    0.00
assign (resid 2     and name HA   ) (resid 2     and name HB2  )    2.80    2.80    0.00
assign (resid 2     and name HA   ) (resid 2     and name HB1  )    2.80    2.80    0.00
assign (resid 8     and name HB2  ) (resid 9     and name HN   )    3.70    3.70    0.00
assign (resid 8     and name HB1  ) (resid 9     and name HN   )    3.70    3.70    0.00
assign (resid 9     and name HA   ) (resid 9     and name HB2  )    2.83    2.83    0.00
assign (resid 9     and name HA   ) (resid 9     and name HB1  )    2.83    2.83    0.00
assign (resid 9     and name HB2  ) (resid 10    and name HN   )    3.33    3.33    0.00
assign (resid 9     and name HB1  ) (resid 10    and name HN   )    3.33    3.33    0.00
assign (resid 2     and name HB2  ) (resid 3     and name HN   )    3.27    3.27    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB2  )    3.45    3.45    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB1  )    3.45    3.45    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB1  )    3.55    3.55    0.00
assign (resid 20    and name HB2  ) (resid 21    and name HN   )    3.55    3.55    0.00
assign (resid 22    and name HB2  ) (resid 23    and name HN   )    4.20    4.20    0.00
assign (resid 22    and name HB1  ) (resid 23    and name HN   )    4.20    4.20    0.00
assign (resid 21    and name HA   ) (resid 21    and name HB   )    2.93    2.93    0.00
assign (resid 26    and name HB1  ) (resid 27    and name HN   )    4.11    4.11    0.00
assign (resid 26    and name HB2  ) (resid 27    and name HN   )    4.11    4.11    0.00
assign (resid 32    and name HB2  ) (resid 33    and name HN   )    4.17    4.17    0.00
assign (resid 32    and name HB1  ) (resid 33    and name HN   )    4.17    4.17    0.00
assign (resid 3     and name HN   ) (resid 17    and name HA   )    4.07    4.07    0.00
assign (resid 4     and name HN   ) (resid 7     and name HB2  )    4.26    4.26    0.00
assign (resid 3     and name HB2  ) (resid 4     and name HN   )    4.07    4.07    0.00
assign (resid 3     and name HB1  ) (resid 4     and name HN   )    4.07    4.07    0.00
assign (resid 5     and name HB1  ) (resid 6     and name HN   )    3.92    3.92    0.00
assign (resid 5     and name HB2  ) (resid 6     and name HN   )    3.92    3.92    0.00
assign (resid 6     and name HB1  ) (resid 7     and name HN   )    4.48    4.48    0.00
assign (resid 6     and name HB2  ) (resid 7     and name HN   )    4.48    4.48    0.00
assign (resid 6     and name HA   ) (resid 29    and name HN   )    3.79    3.79    0.00
assign (resid 8     and name HN   ) (resid 9     and name HN   )    4.38    4.38    0.00
assign (resid 9     and name HN   ) (resid 28    and name HA   )    2.99    2.99    0.00
assign (resid 10    and name HN   ) (resid 14    and name HA   )    4.20    4.20    0.00
assign (resid 11    and name HA   ) (resid 13    and name HN   )    3.83    3.83    0.00
assign (resid 14    and name HB2  ) (resid 15    and name HN   )    4.14    4.14    0.00
assign (resid 14    and name HB1  ) (resid 15    and name HN   )    4.14    4.14    0.00
assign (resid 17    and name HB2  ) (resid 18    and name HN   )    3.33    3.33    0.00   !3.02    3.02    0.00
assign (resid 26    and name HN   ) (resid 27    and name HN   )    2.80    2.80    0.00
assign (resid 25    and name HN   ) (resid 26    and name HN   )    2.90    2.90    0.00
assign (resid 12    and name HN   ) (resid 13    and name HN   )    2.62    2.62    0.00
assign (resid 4     and name HN   ) (resid 5     and name HN   )    3.98    3.98    0.00
assign (resid 25    and name HN   ) (resid 27    and name HN   )    3.83    3.83    0.00
assign (resid 7     and name HN   ) (resid 29    and name HN   )    3.42    3.42    0.00
assign (resid 24    and name HN   ) (resid 25    and name HN   )    3.02    3.02    0.00
assign (resid 6     and name HN   ) (resid 7     and name HN   )    3.27    3.27    0.00
assign (resid 5     and name HN   ) (resid 6     and name HN   )    4.32    4.32    0.00
assign (resid 15    and name HN   ) (resid 16    and name HN   )    3.05    3.05    0.00
assign (resid 21    and name HN   ) (resid 32    and name HN   )    4.17    4.17    0.00
assign (resid 17    and name HN   ) (resid 18    and name HN   )    4.20    4.20    0.00
assign (resid 23    and name HN   ) (resid 30    and name HN   )    3.83    3.83    0.00
assign (resid 20    and name HN   ) (resid 32    and name HN   )    4.26    4.26    0.00
assign (resid 12    and name HN   ) (resid 14    and name HN   )    4.38    4.38    0.00
assign (resid 3     and name HN   ) (resid 17    and name HN   )    3.36    3.36    0.00
assign (resid 21    and name HN   ) (resid 30    and name HN   )    3.17    3.17    0.00
assign (resid 3     and name HN   ) (resid 16    and name HN   )    4.45    4.45    0.00
assign (resid 29    and name HN   ) (resid 30    and name HN   )    4.45    4.45    0.00
assign (resid 19    and name HN   ) (resid 20    and name HN   )    3.02    3.02    0.00
assign (resid 13    and name HN   ) (resid 14    and name HN   )    3.24    3.24    0.00
assign (resid 27    and name HN   ) (resid 28    and name HN   )    3.21    3.21    0.00
assign (resid 23    and name HN   ) (resid 28    and name HN   )    3.45    3.45    0.00
assign (resid 23    and name HN   ) (resid 29    and name HA   )    3.52    3.52    0.00
assign (resid 21    and name HN   ) (resid 29    and name HA   )    3.92    3.92    0.00
assign (resid 15    and name HB2  ) (resid 16    and name HN   )    4.35    4.35    0.00
assign (resid 15    and name HB1  ) (resid 16    and name HN   )    4.35    4.35    0.00
assign (resid 7     and name HB2  ) (resid 8     and name HN   )    3.70    3.70    0.00
assign (resid 10    and name HA   ) (resid 13    and name HN   )    4.45    4.45    0.00
assign (resid 8     and name HA   ) (resid 28    and name HA   )    2.87    2.87    0.00
assign (resid 19    and name HB2  ) (resid 20    and name HN   )    4.23    4.23    0.00
assign (resid 22    and name HA   ) (resid 30    and name HN   )    3.58    3.58    0.00
assign (resid 10    and name HN   ) (resid 15    and name HN   )    4.35    4.35    0.00
assign (resid 9     and name HN   ) (resid 10    and name HN   )    4.48    4.48    0.00
assign (resid 10    and name HN   ) (resid 13    and name HN   )    4.60    4.60    0.00
assign (resid 24    and name HN   ) (resid 26    and name HN   )    4.60    4.60    0.00
assign (resid 19    and name HB1  ) (resid 20    and name HN   )    4.23    4.23    0.00
assign (resid 3     and name HN   ) (resid 16    and name HA   )    2.99    2.99    0.00
assign (resid 7     and name HB1  ) (resid 8     and name HN   )    3.70    3.70    0.00
assign (resid 22    and name HA   ) (resid 29    and name HN   )    4.66    4.66    0.00
assign (resid 5     and name HA   ) (resid 7     and name HN   )    3.76    3.76    0.00
!assign (resid 23    and name HN   ) (resid 28    and name HA   )    4.97    4.97    0.00    !clash
assign (resid 25    and name HB1  ) (resid 26    and name HN   )    3.48    3.48    0.00
assign (resid 25    and name HB2  ) (resid 26    and name HN   )    3.48    3.48    0.00
assign (resid 26    and name HB2  ) (resid 28    and name HN   )    4.29    4.29    0.00
assign (resid 26    and name HB1  ) (resid 28    and name HN   )    4.29    4.29    0.00
assign (resid 27    and name HA   ) (resid 28    and name HA   )    4.26    4.26    0.00
assign (resid 20    and name HA   ) (resid 31    and name HA   )    3.45    3.45    0.00
assign (resid 6     and name HA   ) (resid 28    and name HA   )    4.32    4.32    0.00
assign (resid 22    and name HN   ) (resid 23    and name HN   )    4.63    4.63    0.00
assign (resid 21    and name HN   ) (resid 22    and name HN   )    4.66    4.66    0.00
assign (resid 21    and name HB   ) (resid 22    and name HN   )    3.70    3.70    0.00
assign (resid 16    and name HN   ) (resid 17    and name HN   )    4.63    4.63    0.00
assign (resid 4     and name HN   ) (resid 7     and name HB1  )    4.26    4.26    0.00
assign (resid 17    and name HB1  ) (resid 18    and name HN   )    3.02    3.02    0.00
assign (resid 3     and name HN   ) (resid 3     and name HG   )    2.93    2.93    0.00
assign (resid 10    and name HA   ) (resid 11    and name HD2  )    2.87    2.87    0.00
assign (resid 10    and name HA   ) (resid 11    and name HD1  )    2.87    2.87    0.00
assign (resid 15    and name HN   ) (resid 15    and name HG2  )    4.48    4.48    0.00
assign (resid 15    and name HN   ) (resid 15    and name HG1  )    4.48    4.48    0.00
assign (resid 33    and name HN   ) (resid 33    and name HG   )    4.54    4.54    0.00
assign (resid 27    and name HN   ) (resid 27    and name HG2  )    4.17    4.17    0.00
assign (resid 27    and name HN   ) (resid 27    and name HG1  )    4.17    4.17    0.00
assign (resid 3     and name HA   ) (resid 3     and name HG   )    4.17    4.17    0.00
assign (resid 5     and name HA   ) (resid 20    and name HE#)    6.49    6.49    0.00
assign (resid 5     and name HA   ) (resid 5     and name HD1  )    3.11    3.11    0.00
assign (resid 5     and name HA   ) (resid 6     and name HD#)    7.63    7.63    0.00
assign (resid 5     and name HB2  ) (resid 6     and name HD#)    7.63    7.63    0.00
assign (resid 5     and name HN   ) (resid 5     and name HD1  )    5.50    5.50    0.00
assign (resid 5     and name HN   ) (resid 20    and name HE#)    7.60    7.60    0.00
assign (resid 5     and name HD1  ) (resid 20    and name HE#)    6.55    6.55    0.00
assign (resid 5     and name HB2  ) (resid 20    and name HD#)    7.63    7.63    0.00
assign (resid 5     and name HB1  ) (resid 20    and name HD#)    7.63    7.63    0.00
assign (resid 5     and name HD1  ) (resid 20    and name HD#)    6.92    6.92    0.00
assign (resid 28    and name HB2  ) (resid 28    and name HD1  )    3.83    3.83    0.00
assign (resid 28    and name HB1  ) (resid 28    and name HD1  )    3.83    3.83    0.00
assign (resid 5     and name HA   ) (resid 20    and name HD#)    6.76    6.76    0.00
assign (resid 5     and name HN   ) (resid 20    and name HD#)    7.63    7.63    0.00
assign (resid 28    and name HB2  ) (resid 28    and name HZ3  )    5.50    5.50    0.00
assign (resid 6     and name HA   ) (resid 6     and name HD#)    6.61    6.61    0.00
assign (resid 12    and name HG1  ) (resid 13    and name HN   )    5.50    5.50    0.00
assign (resid 12    and name HG2  ) (resid 13    and name HN   )    5.50    5.50    0.00
assign (resid 25    and name HA   ) (resid 25    and name HG1  )    4.04    4.04    0.00
assign (resid 24    and name HB2  ) (resid 24    and name HE   )    5.50    5.50    0.00
assign (resid 24    and name HB1  ) (resid 24    and name HE   )    5.50    5.50    0.00
assign (resid 25    and name HN   ) (resid 25    and name HG2  )    4.45    4.45    0.00
assign (resid 25    and name HN   ) (resid 25    and name HG1  )    4.45    4.45    0.00
assign (resid 25    and name HA   ) (resid 25    and name HG2  )    4.04    4.04    0.00
assign (resid 27    and name HA   ) (resid 27    and name HE   )    5.25    5.25    0.00
assign (resid 27    and name HA   ) (resid 27    and name HG2  )    4.01    4.01    0.00
assign (resid 27    and name HA   ) (resid 27    and name HG1  )    4.01    4.01    0.00
assign (resid 28    and name HB1  ) (resid 28    and name HE3  )    3.89    3.89    0.00
assign (resid 28    and name HB2  ) (resid 28    and name HE3  )    3.89    3.89    0.00
assign (resid 28    and name HA   ) (resid 28    and name HE3  )    5.16    5.16    0.00
assign (resid 6     and name HA   ) (resid 28    and name HE3  )    3.79    3.79    0.00
assign (resid 28    and name HA   ) (resid 28    and name HD1  )    5.13    5.13    0.00
!assign (resid 5     and name HE1  ) (resid 31    and name HN   )    4.23    4.23    0.00
assign (resid 31    and name HD#) (resid 32    and name HD#)    8.21    8.21    0.00
!assign (resid 5     and name HZ2  ) (resid 31    and name HB2  )    5.50    5.50    0.00
!assign (resid 5     and name HZ2  ) (resid 31    and name HB1  )    5.50    5.50    0.00
assign (resid 18    and name HG2  ) (resid 19    and name HN   )    4.45    4.45    0.00
assign (resid 18    and name HG1  ) (resid 19    and name HN   )    4.45    4.45    0.00
assign (resid 5     and name HE1  ) (resid 20    and name HE#)    7.63    7.63    0.00
assign (resid 20    and name HA   ) (resid 20    and name HD#)    6.39    6.39    0.00
assign (resid 21    and name HB   ) (resid 32    and name HD#)    7.63    7.63    0.00
assign (resid 6     and name HD#) (resid 28    and name HE1  )    7.63    7.63    0.00
assign (resid 5     and name HD1  ) (resid 6     and name HN   )    3.67    3.67    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 20    and name HN   ) (resid 20    and name HD#)    6.45    6.45    0.00
assign (resid 19    and name HN   ) (resid 32    and name HE#)    7.63    7.63    0.00
assign (resid 28    and name HD1  ) (resid 29    and name HN   )    5.13    5.13    0.00
assign (resid 31    and name HD#) (resid 32    and name HN   )    7.16    7.16    0.00
assign (resid 28    and name HE3  ) (resid 29    and name HN   )    5.47    5.47    0.00
assign (resid 32    and name HN   ) (resid 32    and name HD#)    6.14    6.14    0.00
assign (resid 20    and name HD#) (resid 31    and name HN   )    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 6     and name HD#) (resid 28    and name HE3  )    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 6     and name HD#) (resid 28    and name HZ3  )    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 5     and name HD1  ) (resid 30    and name HA   )    3.48    3.48    0.00
assign (resid 28    and name HD1  ) (resid 30    and name HA   )    4.82    4.82    0.00
assign (resid 20    and name HD#) (resid 30    and name HA   )    7.07    7.07    0.00
assign (resid 20    and name HE#) (resid 30    and name HA   )    7.63    7.63    0.00
assign (resid 20    and name HA   ) (resid 32    and name HD#)    7.63    7.63    0.00
assign (resid 20    and name HA   ) (resid 31    and name HD#)    7.63    7.63    0.00
assign (resid 6     and name HD#) (resid 28    and name HD1  )    7.63    7.63    0.00
assign (resid 5     and name HD1  ) (resid 6     and name HA   )    5.07    5.07    0.00
assign (resid 21    and name HB   ) (resid 32    and name HE#)    7.63    7.63    0.00
assign (resid 31    and name HA   ) (resid 31    and name HD#)    5.89    5.89    0.00
!assign (resid 5     and name HE1  ) (resid 30    and name HA   )    4.32    4.32    0.00
assign (resid 7     and name HG1  ) (resid 8     and name HN   )    5.50    5.50    0.00
assign (resid 26    and name HB1  ) (resid 28    and name HZ2  )    5.50    5.50    0.00
assign (resid 26    and name HB1  ) (resid 28    and name HE3  )    5.50    5.50    0.00
assign (resid 26    and name HB1  ) (resid 28    and name HD1  )    4.79    4.79    0.00
assign (resid 26    and name HB2  ) (resid 28    and name HD1  )    4.79    4.79    0.00
assign (resid 31    and name HD#) (resid 33    and name HB1  )    7.63    7.63    0.00
assign (resid 19    and name HA   ) (resid 32    and name HD#)    7.63    7.63    0.00
assign (resid 32    and name HA   ) (resid 32    and name HD#)    6.51    6.51    0.00
assign (resid 20    and name HD#) (resid 31    and name HA   )    6.23    6.23    0.00
assign (resid 19    and name HA   ) (resid 32    and name HE#)    7.63    7.63    0.00
assign (resid 20    and name HE#) (resid 31    and name HA   )    7.48    7.48    0.00
assign (resid 31    and name HE#) (resid 32    and name HN   )    7.63    7.63    0.00
assign (resid 32    and name HN   ) (resid 32    and name HE#)    7.63    7.63    0.00
assign (resid 31    and name HN   ) (resid 31    and name HD#)    7.63    7.63    0.00
assign (resid 7     and name HN   ) (resid 28    and name HE3  )    5.50    5.50    0.00
assign (resid 26    and name HB2  ) (resid 28    and name HZ2  )    5.50    5.50    0.00
assign (resid 26    and name HB2  ) (resid 28    and name HE3  )    5.50    5.50    0.00
!assign (resid 5     and name HD1  ) (resid 30    and name HB1  )    5.50    5.50    0.00
!assign (resid 5     and name HD1  ) (resid 30    and name HB2  )    5.50    5.50    0.00
assign (resid 28    and name HB1  ) (resid 28    and name HZ3  )    5.50    5.50    0.00
assign (resid 6     and name HA   ) (resid 28    and name HZ3  )    5.50    5.50    0.00
assign (resid 3     and name HG   ) (resid 16    and name HA   )    5.22    5.22    0.00
assign (resid 21    and name HN   ) (resid 30    and name HB1  )    5.50    5.50    0.00
assign (resid 21    and name HN   ) (resid 30    and name HB2  )    5.50    5.50    0.00
assign (resid 17    and name HA   ) (resid 20    and name HD#)    7.63    7.63    0.00
assign (resid 18    and name HA   ) (resid 20    and name HD#)    7.63    7.63    0.00
assign (resid 31    and name HD#) (resid 33    and name HB2  )    7.63    7.63    0.00
assign (resid 31    and name HE#) (resid 33    and name HA   )    7.63    7.63    0.00
assign (resid 31    and name HE#) (resid 33    and name HG   )    7.63    7.63    0.00
assign (resid 19    and name HA   ) (resid 20    and name HE#)    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 5     and name HE1  ) (resid 6     and name HE#)    7.63    7.63    0.00
assign (resid 5     and name HE1  ) (resid 31    and name HD#)    7.63    7.63    0.00
assign (resid 5     and name HE1  ) (resid 6     and name HD#)    7.63    7.63    0.00
assign (resid 5     and name HA   ) (resid 5     and name HE1  )    5.50    5.50    0.00
assign (resid 26    and name HA   ) (resid 28    and name HE1  )    5.50    5.50    0.00
assign (resid 28    and name HE1  ) (resid 30    and name HA   )    5.50    5.50    0.00
assign (resid 17    and name HN   ) (resid 20    and name HE#)    7.63    7.63    0.00
assign (resid 7     and name HG2  ) (resid 8     and name HN   )    5.50    5.50    0.00
assign (resid 3     and name HN   ) (resid 3     and name HD1# )    5.37    5.37    0.00
assign (resid 3     and name HN   ) (resid 3     and name HD2#)    5.37    5.37    0.00
assign (resid 21    and name HN   ) (resid 21    and name HG2#)    4.53    4.53    0.00
assign (resid 21    and name HG2#) (resid 22    and name HN   )    5.65    5.65    0.00
assign (resid 21    and name HG2#) (resid 23    and name HN   )    6.52    6.52    0.00
assign (resid 3     and name HD2#) (resid 4     and name HN   )    6.52    6.52    0.00
assign (resid 21    and name HG2#) (resid 32    and name HD#)    8.34    8.34    0.00
assign (resid 21    and name HG2#) (resid 32    and name HB2  )    5.50    5.50    0.00
assign (resid 21    and name HG2#) (resid 32    and name HB1  )    5.50    5.50    0.00
assign (resid 31    and name HE#) (resid 33    and name HD1# )    8.65    8.65    0.00
assign (resid 21    and name HG2#) (resid 30    and name HN   )    6.15    6.15    0.00
assign (resid 32    and name HD#) (resid 33    and name HD2#)    8.65    8.65    0.00
assign (resid 32    and name HE#) (resid 33    and name HD2#)    8.65    8.65    0.00
assign (resid 32    and name HE#) (resid 33    and name HD1# )    8.65    8.65    0.00
assign (resid 21    and name HG2#) (resid 32    and name HE#)    8.65    8.65    0.00
assign (resid 3     and name HD2#) (resid 8     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 33    and name HN   ) (resid 33    and name HD1# )    6.52    6.52    0.00
assign (resid 33    and name HN   ) (resid 33    and name HD2#)    6.52    6.52    0.00
assign (resid 32    and name HD#) (resid 33    and name HD1# )    8.65    8.65    0.00
assign (resid 21    and name HG2#) (resid 32    and name HA   )    5.84    5.84    0.00
assign (resid 20    and name HA   ) (resid 21    and name HG2#)    6.49    6.49    0.00
assign (resid 3     and name HD1# ) (resid 16    and name HA   )    6.52    6.52    0.00
assign (resid 3     and name HD2#) (resid 16    and name HA   )    6.52    6.52    0.00
assign (resid 31    and name HE#) (resid 33    and name HD2#)    8.65    8.65    0.00
assign (resid 3     and name HD1# ) (resid 8     and name HN   )    6.52    6.52    0.00
assign (resid 3     and name HD1# ) (resid 4     and name HN   )    6.52    6.52    0.00
assign (resid 1     and name HB#   ) (resid 2     and name HN   )    3.25    3.25    0.00
assign (resid 2     and name HN   ) (resid 2     and name HB#   )    3.15    3.15    0.00
assign (resid 2     and name HB#   ) (resid 3     and name HN   )    2.67    2.67    0.00
assign (resid 2     and name HB#   ) (resid 16    and name HA   )    5.34    5.34    0.00
assign (resid 2     and name HB#   ) (resid 18    and name HN   )    4.61    4.61    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB#   )    2.68    2.68    0.00
assign (resid 3     and name HN   ) (resid 4     and name HA#   )    4.38    4.38    0.00
assign (resid 3     and name HN   ) (resid 15    and name HB#   )    4.85    4.85    0.00
assign (resid 3     and name HN   ) (resid 16    and name HB#   )    5.34    5.34    0.00
assign (resid 3     and name HA   ) (resid 3     and name HD## )    3.75    3.75    0.00
assign (resid 3     and name HB#   ) (resid 3     and name HG   )    2.53    2.53    0.00
assign (resid 3     and name HB#   ) (resid 4     and name HN   )    3.40    3.40    0.00
assign (resid 3     and name HB#   ) (resid 16    and name HN   )    5.34    5.34    0.00
assign (resid 3     and name HB#   ) (resid 16    and name HA   )    3.00    3.00    0.00
assign (resid 3     and name HB#   ) (resid 17    and name HN   )    4.00    4.00    0.00
assign (resid 3     and name HD## ) (resid 4     and name HN   )    5.11    5.11    0.00
assign (resid 3     and name HD## ) (resid 7     and name HB#   )    4.41    4.41    0.00
assign (resid 3     and name HD## ) (resid 7     and name HG#  )    5.30    5.30    0.00
assign (resid 3     and name HD## ) (resid 7     and name HE#)    6.19    6.19    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   )    4.51    4.51    0.00
assign (resid 3     and name HD## ) (resid 9     and name HB#   )    4.12    4.12    0.00
assign (resid 3     and name HD## ) (resid 10    and name HN   )    5.97    5.97    0.00
assign (resid 3     and name HD## ) (resid 15    and name HN   )    5.50    5.50    0.00
assign (resid 3     and name HD## ) (resid 15    and name HB#   )    5.00    5.00    0.00
assign (resid 3     and name HD## ) (resid 16    and name HN   )    6.39    6.39    0.00
assign (resid 3     and name HD## ) (resid 16    and name HA   )    5.35    5.35    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#   )    2.55    2.55    0.00
assign (resid 4     and name HN   ) (resid 7     and name HB#   )    3.64    3.64    0.00
assign (resid 4     and name HN   ) (resid 7     and name HG#  )    3.52    3.52    0.00
assign (resid 4     and name HA#   ) (resid 5     and name HN   )    2.63    2.63    0.00
assign (resid 4     and name HA#   ) (resid 7     and name HB#   )    3.70    3.70    0.00
assign (resid 4     and name HA#   ) (resid 20    and name HD#)    6.57    6.57    0.00
assign (resid 4     and name HA#   ) (resid 20    and name HE#)    7.23    7.23    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB#   )    2.38    2.38    0.00
assign (resid 5     and name HN   ) (resid 6     and name HB#   )    4.94    4.94    0.00
assign (resid 5     and name HN   ) (resid 7     and name HG#  )    5.34    5.34    0.00
!assign (resid 5     and name HN   ) (resid 29    and name HB#   )    5.34    5.34    0.00  !clash
!assign (resid 5     and name HA   ) (resid 29    and name HB#   )    4.00    4.00    0.00   !clash
assign (resid 5     and name HB#   ) (resid 6     and name HN   )    3.35    3.35    0.00
assign (resid 5     and name HB#   ) (resid 20    and name HE#)    5.78    5.78    0.00
assign (resid 5     and name HD1  ) (resid 6     and name HB#   )    5.29    5.29    0.00
assign (resid 5     and name HZ3  ) (resid 18    and name HD#)    5.34    5.34    0.00
!assign (resid 5     and name HZ2  ) (resid 31    and name HB#   )    4.75    4.75    0.00
assign (resid 6     and name HN   ) (resid 6     and name HB#   )    3.52    3.52    0.00
assign (resid 6     and name HN   ) (resid 7     and name HG#  )    5.34    5.34    0.00
assign (resid 6     and name HA   ) (resid 28    and name HB#   )    4.03    4.03    0.00
assign (resid 6     and name HB#   ) (resid 6     and name HZ   )    5.02    5.02    0.00
assign (resid 6     and name HB#   ) (resid 28    and name HE3  )    5.34    5.34    0.00
assign (resid 6     and name HD#) (resid 7     and name HB#   )    7.31    7.31    0.00
assign (resid 6     and name HD#) (resid 28    and name HB#   )    7.31    7.31    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB#   )    2.63    2.63    0.00
assign (resid 7     and name HN   ) (resid 7     and name HG#  )    3.23    3.23    0.00
assign (resid 7     and name HN   ) (resid 7     and name HD#)    5.32    5.32    0.00
assign (resid 7     and name HN   ) (resid 28    and name HB#   )    5.34    5.34    0.00
assign (resid 7     and name HN   ) (resid 29    and name HB#   )    3.70    3.70    0.00
assign (resid 7     and name HA   ) (resid 7     and name HD#)    3.53    3.53    0.00
assign (resid 7     and name HB#   ) (resid 8     and name HN   )    2.98    2.98    0.00
assign (resid 7     and name HB#   ) (resid 29    and name HN   )    5.11    5.11    0.00
assign (resid 8     and name HB#   ) (resid 9     and name HN   )    3.12    3.12    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 27    and name HB#   )    4.20    4.20    0.00
assign (resid 9     and name HB#   ) (resid 10    and name HN   )    3.10    3.10    0.00   !2.73    2.73    0.00
assign (resid 10    and name HA   ) (resid 11    and name HD#)    2.46    2.46    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   )    3.29    3.29    0.00
assign (resid 10    and name HB#   ) (resid 13    and name HD2#)    4.91    4.91    0.00
assign (resid 11    and name HB#   ) (resid 12    and name HN   )    3.06    3.06    0.00
assign (resid 11    and name HB#   ) (resid 24    and name HD#)    5.18    5.18    0.00
assign (resid 11    and name HG#  ) (resid 12    and name HN   )    2.89    2.89    0.00
assign (resid 11    and name HG#  ) (resid 24    and name HD#)    3.73    3.73    0.00
assign (resid 11    and name HG#  ) (resid 27    and name HE   )    4.53    4.53    0.00
assign (resid 11    and name HD#) (resid 12    and name HN   )    3.62    3.62    0.00
assign (resid 11    and name HD#) (resid 12    and name HG#  )    5.16    5.16    0.00
assign (resid 11    and name HD#) (resid 27    and name HG#  )    4.69    4.69    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB#   )    2.71    2.71    0.00
assign (resid 12    and name HN   ) (resid 12    and name HG#  )    3.65    3.65    0.00
assign (resid 12    and name HA   ) (resid 12    and name HG#  )    3.69    3.69    0.00
assign (resid 12    and name HB#   ) (resid 13    and name HN   )    3.32    3.32    0.00
assign (resid 12    and name HB#   ) (resid 13    and name HD2#)    5.18    5.18    0.00
assign (resid 12    and name HG#  ) (resid 13    and name HN   )    4.81    4.81    0.00
assign (resid 13    and name HB#   ) (resid 13    and name HD2#)    3.07    3.07    0.00
assign (resid 14    and name HB#   ) (resid 15    and name HN   )    3.51    3.51    0.00
assign (resid 14    and name HB#   ) (resid 16    and name HN   )    4.56    4.56    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB#   )    2.84    2.84    0.00
assign (resid 15    and name HB#   ) (resid 16    and name HN   )    3.70    3.70    0.00
assign (resid 16    and name HN   ) (resid 16    and name HB#   )    2.74    2.74    0.00
assign (resid 16    and name HA   ) (resid 16    and name HB#   )    2.57    2.57    0.00
assign (resid 16    and name HB#   ) (resid 17    and name HN   )    3.08    3.08    0.00
assign (resid 16    and name HB#   ) (resid 17    and name HA   )    4.26    4.26    0.00
assign (resid 16    and name HB#   ) (resid 20    and name HN   )    3.97    3.97    0.00
assign (resid 16    and name HB#   ) (resid 20    and name HA   )    4.24    4.24    0.00
assign (resid 16    and name HB#   ) (resid 20    and name HD#)    6.97    6.97    0.00
assign (resid 16    and name HB#   ) (resid 21    and name HN   )    4.91    4.91    0.00
assign (resid 16    and name HB#   ) (resid 21    and name HA   )    3.53    3.53    0.00
assign (resid 16    and name HB#   ) (resid 22    and name HN   )    5.34    5.34    0.00
assign (resid 16    and name HB#   ) (resid 29    and name HA   )    5.11    5.11    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB#   )    2.75    2.75    0.00
assign (resid 17    and name HN   ) (resid 20    and name HB#   )    3.47    3.47    0.00
assign (resid 17    and name HB#   ) (resid 18    and name HN   )    2.58    2.58    0.00
assign (resid 17    and name HB#   ) (resid 20    and name HB#   )    5.18    5.18    0.00
assign (resid 18    and name HN   ) (resid 18    and name HB#   )    2.68    2.68    0.00
assign (resid 18    and name HN   ) (resid 18    and name HG#  )     3.75    3.75    0.00        !3.42    3.42    0.00    !3.03    3.03    0.00
assign (resid 18    and name HA   ) (resid 18    and name HG#  )    2.97    2.97    0.00
assign (resid 18    and name HA   ) (resid 18    and name HD#)    3.91    3.91    0.00
assign (resid 18    and name HA   ) (resid 19    and name HB#   )    4.27    4.27    0.00
assign (resid 18    and name HG#  ) (resid 19    and name HN   )    3.68    3.68    0.00
assign (resid 18    and name HG#  ) (resid 19    and name HD2#)    5.18    5.18    0.00
assign (resid 19    and name HN   ) (resid 19    and name HB#   )    3.41    3.41    0.00
assign (resid 19    and name HA   ) (resid 19    and name HB#   )    2.62    2.62    0.00
assign (resid 19    and name HB#   ) (resid 19    and name HD2#)    3.10    3.10    0.00
assign (resid 19    and name HB#   ) (resid 20    and name HN   )    3.63    3.63    0.00
assign (resid 19    and name HB#   ) (resid 20    and name HD#)    7.31    7.31    0.00
assign (resid 19    and name HB#   ) (resid 20    and name HE#)    7.32    7.32    0.00
assign (resid 19    and name HB#   ) (resid 31    and name HD#)    7.31    7.31    0.00
assign (resid 19    and name HD2#) (resid 20    and name HE#)    7.31    7.31    0.00
assign (resid 20    and name HN   ) (resid 20    and name HB#   )    2.94    2.94    0.00
assign (resid 20    and name HA   ) (resid 31    and name HB#   )    5.34    5.34    0.00
assign (resid 20    and name HB#   ) (resid 21    and name HN   )    2.84    2.84    0.00
assign (resid 20    and name HB#   ) (resid 30    and name HN   )    4.41    4.41    0.00
assign (resid 20    and name HB#   ) (resid 32    and name HN   )    5.34    5.34    0.00
assign (resid 20    and name HD#) (resid 30    and name HB#   )    7.31    7.31    0.00
assign (resid 20    and name HE#) (resid 31    and name HB#   )    7.32    7.32    0.00
assign (resid 21    and name HN   ) (resid 30    and name HG#  )    5.34    5.34    0.00
assign (resid 21    and name HN   ) (resid 32    and name HB#   )    5.34    5.34    0.00
assign (resid 21    and name HB   ) (resid 32    and name HB#   )    4.70    4.70    0.00
assign (resid 21    and name HG2#) (resid 30    and name HB#   )    6.29    6.29    0.00
assign (resid 21    and name HG2#) (resid 32    and name HB#   )    4.78    4.78    0.00
assign (resid 22    and name HB#   ) (resid 23    and name HN   )    3.62    3.62    0.00
assign (resid 23    and name HN   ) (resid 23    and name HB#   )    2.47    2.47    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   )    3.79    3.79    0.00
!assign (resid 23    and name HB#   ) (resid 26    and name HN   )    3.29    3.29    0.00
!assign (resid 23    and name HB#   ) (resid 26    and name HB#   )    3.89    3.89    0.00
!assign (resid 23    and name HB#   ) (resid 27    and name HN   )    3.85    3.85    0.00
assign (resid 23    and name HB#   ) (resid 30    and name HN   )    4.85    4.85    0.00
assign (resid 23    and name HB#   ) (resid 30    and name HA   )    5.26    5.26    0.00
assign (resid 23    and name HB#   ) (resid 30    and name HG#  )    3.80    3.80    0.00
assign (resid 23    and name HB#   ) (resid 30    and name HD#)    3.53    3.53    0.00
assign (resid 24    and name HN   ) (resid 24    and name HB#   )    2.52    2.52    0.00
assign (resid 24    and name HN   ) (resid 24    and name HG#  )    4.65    4.65    0.00
assign (resid 24    and name HN   ) (resid 24    and name HD#)    4.97    4.97    0.00
assign (resid 24    and name HA   ) (resid 24    and name HB#   )    2.45    2.45    0.00
assign (resid 24    and name HA   ) (resid 24    and name HD#)    4.29    4.29    0.00
assign (resid 24    and name HB#   ) (resid 24    and name HG#  )    2.06    2.06    0.00
assign (resid 24    and name HB#   ) (resid 24    and name HD#)    3.02    3.02    0.00
assign (resid 24    and name HB#   ) (resid 25    and name HN   )    3.05    3.05    0.00
assign (resid 24    and name HB#   ) (resid 27    and name HN   )    4.41    4.41    0.00
assign (resid 24    and name HB#   ) (resid 27    and name HE   )    5.34    5.34    0.00
assign (resid 24    and name HD#) (resid 25    and name HN   )    5.34    5.34    0.00
assign (resid 24    and name HD#) (resid 27    and name HN   )    5.34    5.34    0.00
assign (resid 24    and name HD#) (resid 27    and name HB#   )    4.28    4.28    0.00
assign (resid 24    and name HD#) (resid 27    and name HG#  )    3.82    3.82    0.00
assign (resid 24    and name HD#) (resid 27    and name HE   )    3.50    3.50    0.00
assign (resid 25    and name HN   ) (resid 25    and name HG#  )    3.81    3.81    0.00
assign (resid 25    and name HA   ) (resid 25    and name HG#  )    3.39    3.39    0.00
assign (resid 25    and name HB#   ) (resid 25    and name HG#  )    1.97    1.97    0.00
assign (resid 25    and name HB#   ) (resid 25    and name HE   )    4.88    4.88    0.00
assign (resid 25    and name HB#   ) (resid 26    and name HN   )    2.91    2.91    0.00
assign (resid 25    and name HE   ) (resid 26    and name HB#   )    5.34    5.34    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB#   )    2.84    2.84    0.00
assign (resid 26    and name HN   ) (resid 27    and name HG#  )    4.73    4.73    0.00
assign (resid 26    and name HB#   ) (resid 27    and name HN   )    3.41    3.41    0.00
assign (resid 26    and name HB#   ) (resid 28    and name HN   )    3.56    3.56    0.00
assign (resid 26    and name HB#   ) (resid 28    and name HD1  )    4.18    4.18    0.00
assign (resid 26    and name HB#   ) (resid 28    and name HE3  )    4.80    4.80    0.00
assign (resid 26    and name HB#   ) (resid 28    and name HE1  )    4.38    4.38    0.00
assign (resid 26    and name HB#   ) (resid 28    and name HZ3  )    5.34    5.34    0.00
assign (resid 26    and name HB#   ) (resid 28    and name HZ2  )    4.83    4.83    0.00
assign (resid 27    and name HN   ) (resid 27    and name HB#   )    3.24    3.24    0.00
assign (resid 27    and name HN   ) (resid 27    and name HG#  )    3.42    3.42    0.00
assign (resid 27    and name HA   ) (resid 27    and name HB#   )    2.62    2.62    0.00
assign (resid 27    and name HA   ) (resid 27    and name HG#  )    3.34    3.34    0.00
assign (resid 27    and name HA   ) (resid 27    and name HD#)    5.34    5.34    0.00
assign (resid 27    and name HB#   ) (resid 27    and name HE   )    4.12    4.12    0.00
assign (resid 27    and name HG#  ) (resid 28    and name HN   )    4.88    4.88    0.00
assign (resid 28    and name HA   ) (resid 29    and name HB#   )    4.41    4.41    0.00
assign (resid 28    and name HB#   ) (resid 28    and name HE3  )    3.19    3.19    0.00
assign (resid 28    and name HB#   ) (resid 29    and name HN   )    3.17    3.17    0.00
assign (resid 28    and name HD1  ) (resid 29    and name HB#   )    5.34    5.34    0.00
assign (resid 28    and name HD1  ) (resid 30    and name HB#   )    4.36    4.36    0.00
assign (resid 28    and name HD1  ) (resid 30    and name HG#  )    3.91    3.91    0.00
assign (resid 28    and name HD1  ) (resid 30    and name HD#)    5.34    5.34    0.00
assign (resid 28    and name HE1  ) (resid 30    and name HB#   )    5.34    5.34    0.00
assign (resid 28    and name HE1  ) (resid 30    and name HG#  )    4.41    4.41    0.00
assign (resid 28    and name HE1  ) (resid 30    and name HD#)    5.34    5.34    0.00
assign (resid 28    and name HZ2  ) (resid 30    and name HG#  )    5.34    5.34    0.00
assign (resid 29    and name HN   ) (resid 29    and name HB#   )    2.65    2.65    0.00
assign (resid 30    and name HN   ) (resid 30    and name HG#  )    3.82    3.82    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#)    5.34    5.34    0.00
assign (resid 30    and name HA   ) (resid 31    and name HB#   )    4.41    4.41    0.00
assign (resid 30    and name HB#   ) (resid 30    and name HD#)    2.79    2.79    0.00
assign (resid 30    and name HG#  ) (resid 31    and name HN   )    4.79    4.79    0.00
assign (resid 31    and name HN   ) (resid 31    and name HB#   )    2.56    2.56    0.00
assign (resid 31    and name HB#   ) (resid 32    and name HD#)    6.20    6.20    0.00
assign (resid 31    and name HE#) (resid 33    and name HB#   )    6.62    6.62    0.00
assign (resid 32    and name HN   ) (resid 32    and name HB#   )    2.64    2.64    0.00
assign (resid 32    and name HA   ) (resid 32    and name HB#   )    2.63    2.63    0.00
assign (resid 32    and name HB#   ) (resid 33    and name HD## )    6.18    6.18    0.00
assign (resid 33    and name HN   ) (resid 33    and name HB#   )    3.02    3.02    0.00
assign (resid 33    and name HA   ) (resid 33    and name HD## )    4.43    4.43    0.00
# Restraints file 3: 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 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 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 19    and name O    ) (resid 32    and name HN   )    2.00    2.00    0.00
assign (resid 19    and name O    ) (resid 32    and name N    )    3.00    3.00    0.00
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1          1HT       ASP   1 -10.729   4.793  -6.555
    2    H2   ASP   1          2HT       ASP   1 -12.335   4.915  -5.970
    3    H3   ASP   1          3HT       ASP   1 -11.373   3.593  -5.581
    4    HA   ASP   1           HA       ASP   1 -10.763   6.337  -4.729
    5    HB2  ASP   1          2HB       ASP   1 -11.319   5.552  -2.499
    6    HB3  ASP   1          1HB       ASP   1 -12.717   5.300  -3.529
    7    H    CYS   2           H        CYS   2  -9.112   6.038  -2.856
    8    HA   CYS   2           HA       CYS   2  -7.435   3.759  -3.357
    9    HB2  CYS   2          2HB       CYS   2  -5.424   5.246  -3.297
   10    HB3  CYS   2          1HB       CYS   2  -6.375   5.355  -4.754
   11    H    LEU   3           H        LEU   3  -5.484   4.102  -1.768
   12    HA   LEU   3           HA       LEU   3  -6.736   4.347   0.860
   13    HB2  LEU   3          2HB       LEU   3  -4.427   2.680  -0.087
   14    HB3  LEU   3          1HB       LEU   3  -5.023   2.731   1.561
   15    HG   LEU   3           HG       LEU   3  -6.545   1.682  -0.831
   16   HD11  LEU   3          1HD1      LEU   3  -4.698   0.260  -0.203
   17   HD12  LEU   3          2HD1      LEU   3  -6.239  -0.488   0.217
   18   HD13  LEU   3          3HD1      LEU   3  -5.247   0.258   1.472
   19   HD21  LEU   3          1HD2      LEU   3  -7.251   1.711   2.101
   20   HD22  LEU   3          2HD2      LEU   3  -8.137   0.855   0.845
   21   HD23  LEU   3          3HD2      LEU   3  -8.059   2.615   0.819
   22    H    GLY   4           H        GLY   4  -5.013   4.822   2.520
   23    HA2  GLY   4          2HA       GLY   4  -3.284   6.793   1.367
   24    HA3  GLY   4          1HA       GLY   4  -3.849   6.822   3.052
   25    H    TRP   5           H        TRP   5  -2.726   5.447   4.627
   26    HA   TRP   5           HA       TRP   5  -0.481   4.145   3.478
   27    HB2  TRP   5          2HB       TRP   5  -0.086   6.302   4.789
   28    HB3  TRP   5          1HB       TRP   5  -0.481   5.341   6.202
   29    HD1  TRP   5           HD       TRP   5   1.120   2.758   5.838
   30    HE1  TRP   5          1HE       TRP   5   3.704   2.713   5.772
   31    HE3  TRP   5          3HE       TRP   5   1.952   7.600   4.507
   32    HZ2  TRP   5          2HZ       TRP   5   5.810   4.528   5.225
   33    HZ3  TRP   5          3HZ       TRP   5   4.276   8.376   4.230
   34    HH2  TRP   5           HH       TRP   5   6.159   6.865   4.582
   35    H    PHE   6           H        PHE   6  -1.832   4.113   6.620
   36    HA   PHE   6           HA       PHE   6  -1.138   1.296   6.857
   37    HB2  PHE   6          2HB       PHE   6  -2.574   3.042   8.851
   38    HB3  PHE   6          1HB       PHE   6  -1.825   1.478   9.181
   39    HD1  PHE   6          1HD       PHE   6   0.698   1.326   8.754
   40    HD2  PHE   6          2HD       PHE   6  -1.436   4.979   9.158
   41    HE1  PHE   6          1HE       PHE   6   2.776   2.473   9.334
   42    HE2  PHE   6          2HE       PHE   6   0.651   6.131   9.732
   43    HZ   PHE   6           HZ       PHE   6   2.741   4.886   9.825
   44    H    LYS   7           H        LYS   7  -3.383   2.191   5.109
   45    HA   LYS   7           HA       LYS   7  -5.611   0.717   6.266
   46    HB2  LYS   7          2HB       LYS   7  -5.325   1.729   3.465
   47    HB3  LYS   7          1HB       LYS   7  -6.763   1.118   4.207
   48    HG2  LYS   7          2HG       LYS   7  -5.409   3.677   5.054
   49    HG3  LYS   7          1HG       LYS   7  -6.846   3.567   4.038
   50    HD2  LYS   7          2HD       LYS   7  -7.999   2.387   5.910
   51    HD3  LYS   7          1HD       LYS   7  -6.582   2.682   6.915
   52    HE2  LYS   7          2HE       LYS   7  -8.239   4.373   7.401
   53    HE3  LYS   7          1HE       LYS   7  -6.892   5.124   6.556
   54    HZ1  LYS   7          1HZ       LYS   7  -8.209   5.076   4.508
   55    HZ2  LYS   7          2HZ       LYS   7  -9.039   5.898   5.704
   56    HZ3  LYS   7          3HZ       LYS   7  -9.484   4.341   5.305
   57    H    SER   8           H        SER   8  -6.163  -1.318   5.619
   58    HA   SER   8           HA       SER   8  -4.083  -2.952   4.814
   59    HB2  SER   8          2HB       SER   8  -6.984  -3.581   4.987
   60    HB3  SER   8          1HB       SER   8  -5.591  -4.613   5.273
   61    HG   SER   8           HG       SER   8  -6.759  -3.586   7.187
   62    H    CYS   9           H        CYS   9  -3.815  -3.934   2.962
   63    HA   CYS   9           HA       CYS   9  -5.627  -3.547   0.741
   64    HB2  CYS   9          2HB       CYS   9  -4.138  -1.656   0.711
   65    HB3  CYS   9          1HB       CYS   9  -2.761  -2.765   0.720
   66    H    ASP  10           H        ASP  10  -4.396  -4.595  -1.126
   67    HA   ASP  10           HA       ASP  10  -3.136  -7.082  -0.262
   68    HB2  ASP  10          2HB       ASP  10  -5.635  -7.381  -0.496
   69    HB3  ASP  10          1HB       ASP  10  -5.432  -7.010  -2.203
   70    HA   PRO  11           HA       PRO  11  -0.519  -5.554  -3.510
   71    HB2  PRO  11          2HB       PRO  11   0.642  -8.010  -4.037
   72    HB3  PRO  11          1HB       PRO  11   1.235  -6.838  -2.834
   73    HG2  PRO  11          2HG       PRO  11  -0.461  -9.262  -2.518
   74    HG3  PRO  11          1HG       PRO  11   0.803  -8.627  -1.453
   75    HD2  PRO  11          2HD       PRO  11  -1.756  -8.353  -0.859
   76    HD3  PRO  11          1HD       PRO  11  -0.611  -7.029  -0.536
   77    H    LYS  12           H        LYS  12  -2.575  -8.290  -3.935
   78    HA   LYS  12           HA       LYS  12  -2.179  -8.399  -6.811
   79    HB2  LYS  12          2HB       LYS  12  -4.051  -9.912  -5.013
   80    HB3  LYS  12          1HB       LYS  12  -3.834 -10.222  -6.725
   81    HG2  LYS  12          2HG       LYS  12  -1.510 -10.846  -6.367
   82    HG3  LYS  12          1HG       LYS  12  -1.655 -10.467  -4.653
   83    HD2  LYS  12          2HD       LYS  12  -1.803 -12.874  -5.009
   84    HD3  LYS  12          1HD       LYS  12  -3.335 -12.240  -4.414
   85    HE2  LYS  12          2HE       LYS  12  -4.255 -12.287  -6.659
   86    HE3  LYS  12          1HE       LYS  12  -2.712 -12.826  -7.309
   87    HZ1  LYS  12          1HZ       LYS  12  -2.947 -14.866  -6.001
   88    HZ2  LYS  12          2HZ       LYS  12  -4.229 -14.650  -7.057
   89    HZ3  LYS  12          3HZ       LYS  12  -4.449 -14.327  -5.421
   90    H    ASN  13           H        ASN  13  -4.013  -6.701  -4.652
   91    HA   ASN  13           HA       ASN  13  -5.922  -5.867  -6.699
   92    HB2  ASN  13          2HB       ASN  13  -6.834  -7.681  -5.266
   93    HB3  ASN  13          1HB       ASN  13  -6.580  -6.666  -3.875
   94   HD21  ASN  13          1HD2      ASN  13  -8.718  -6.799  -3.423
   95   HD22  ASN  13          2HD2      ASN  13  -9.933  -5.852  -4.217
   96    H    ASP  14           H        ASP  14  -3.721  -4.606  -6.098
   97    HA   ASP  14           HA       ASP  14  -3.533  -2.874  -3.935
   98    HB2  ASP  14          2HB       ASP  14  -1.744  -3.286  -5.584
   99    HB3  ASP  14          1HB       ASP  14  -2.660  -2.329  -6.754
  100    H    LYS  15           H        LYS  15  -4.455  -1.091  -3.389
  101    HA   LYS  15           HA       LYS  15  -6.256   0.305  -5.235
  102    HB2  LYS  15          2HB       LYS  15  -6.600  -0.376  -2.329
  103    HB3  LYS  15          1HB       LYS  15  -7.565   0.822  -3.158
  104    HG2  LYS  15          2HG       LYS  15  -7.428  -2.127  -3.827
  105    HG3  LYS  15          1HG       LYS  15  -8.724  -1.344  -2.928
  106    HD2  LYS  15          2HD       LYS  15  -7.980  -0.781  -5.816
  107    HD3  LYS  15          1HD       LYS  15  -9.342  -1.750  -5.280
  108    HE2  LYS  15          2HE       LYS  15  -8.964   1.207  -4.725
  109    HE3  LYS  15          1HE       LYS  15 -10.025   0.512  -5.942
  110    HZ1  LYS  15          1HZ       LYS  15 -11.225   1.146  -3.942
  111    HZ2  LYS  15          2HZ       LYS  15 -10.277   0.115  -3.017
  112    HZ3  LYS  15          3HZ       LYS  15 -11.319  -0.524  -4.171
  113    H    CYS  16           H        CYS  16  -3.433   0.778  -4.510
  114    HA   CYS  16           HA       CYS  16  -3.522   2.967  -2.666
  115    HB2  CYS  16          2HB       CYS  16  -1.343   1.551  -4.111
  116    HB3  CYS  16          1HB       CYS  16  -1.055   3.062  -3.248
  117    H    CYS  17           H        CYS  17  -2.845   5.043  -3.082
  118    HA   CYS  17           HA       CYS  17  -3.576   5.948  -5.702
  119    HB2  CYS  17          2HB       CYS  17  -3.569   7.058  -3.042
  120    HB3  CYS  17          1HB       CYS  17  -2.667   8.097  -4.118
  121    H    LYS  18           H        LYS  18  -2.014   8.155  -5.867
  122    HA   LYS  18           HA       LYS  18   0.285   7.137  -7.158
  123    HB2  LYS  18          2HB       LYS  18  -0.908   9.166  -7.872
  124    HB3  LYS  18          1HB       LYS  18  -0.406   9.965  -6.385
  125    HG2  LYS  18          2HG       LYS  18   1.877   9.705  -6.992
  126    HG3  LYS  18          1HG       LYS  18   1.408   8.846  -8.462
  127    HD2  LYS  18          2HD       LYS  18   0.231  10.854  -9.230
  128    HD3  LYS  18          1HD       LYS  18   0.774  11.717  -7.780
  129    HE2  LYS  18          2HE       LYS  18   3.092  11.376  -8.438
  130    HE3  LYS  18          1HE       LYS  18   2.568  10.480  -9.861
  131    HZ1  LYS  18          1HZ       LYS  18   1.429  12.519 -10.597
  132    HZ2  LYS  18          2HZ       LYS  18   3.090  12.651 -10.518
  133    HZ3  LYS  18          3HZ       LYS  18   2.140  13.363  -9.309
  134    H    ASN  19           H        ASN  19   2.288   6.887  -6.569
  135    HA   ASN  19           HA       ASN  19   4.180   6.895  -5.420
  136    HB2  ASN  19          2HB       ASN  19   2.832   9.111  -3.996
  137    HB3  ASN  19          1HB       ASN  19   4.402   8.522  -3.410
  138   HD21  ASN  19          1HD2      ASN  19   6.219   8.847  -4.793
  139   HD22  ASN  19          2HD2      ASN  19   6.193   9.999  -6.064
  140    H    TYR  20           H        TYR  20   1.539   5.557  -4.483
  141    HA   TYR  20           HA       TYR  20   2.846   4.349  -2.189
  142    HB2  TYR  20          2HB       TYR  20  -0.080   4.931  -2.567
  143    HB3  TYR  20          1HB       TYR  20   0.555   3.855  -1.356
  144    HD1  TYR  20          1HD       TYR  20   1.622   4.689   0.644
  145    HD2  TYR  20          2HD       TYR  20   0.324   7.404  -2.361
  146    HE1  TYR  20          1HE       TYR  20   1.947   6.538   2.195
  147    HE2  TYR  20          2HE       TYR  20   0.643   9.274  -0.817
  148    HH   TYR  20           HH       TYR  20   2.406   9.040   2.005
  149    H    THR  21           H        THR  21   2.168   2.173  -1.872
  150    HA   THR  21           HA       THR  21   0.860   0.627  -3.904
  151    HB   THR  21           HB       THR  21   3.739   0.132  -3.343
  152    HG1  THR  21          1HG       THR  21   2.715   1.877  -5.068
  153   HG21  THR  21          1HG2      THR  21   1.894  -1.142  -5.348
  154   HG22  THR  21          2HG2      THR  21   2.571  -1.874  -3.891
  155   HG23  THR  21          3HG2      THR  21   3.623  -1.478  -5.247
  156    H    CYS  22           H        CYS  22   0.152  -1.215  -2.847
  157    HA   CYS  22           HA       CYS  22   0.826  -1.156  -0.099
  158    HB2  CYS  22          2HB       CYS  22  -0.892  -2.886   0.122
  159    HB3  CYS  22          1HB       CYS  22  -1.471  -1.272  -0.308
  160    H    SER  23           H        SER  23   1.819  -2.418   1.036
  161    HA   SER  23           HA       SER  23   3.623  -4.286  -0.206
  162    HB2  SER  23          2HB       SER  23   4.430  -2.715   1.489
  163    HB3  SER  23          1HB       SER  23   3.246  -3.313   2.642
  164    HG   SER  23           HG       SER  23   5.692  -4.318   1.912
  165    H    ARG  24           H        ARG  24   3.853  -6.444   0.736
  166    HA   ARG  24           HA       ARG  24   1.286  -7.578   1.600
  167    HB2  ARG  24          2HB       ARG  24   2.689  -8.337  -0.486
  168    HB3  ARG  24          1HB       ARG  24   3.664  -9.144   0.736
  169    HG2  ARG  24          2HG       ARG  24   0.705  -9.642   0.297
  170    HG3  ARG  24          1HG       ARG  24   1.991 -10.652  -0.353
  171    HD2  ARG  24          2HD       ARG  24   1.390 -10.119   2.532
  172    HD3  ARG  24          1HD       ARG  24   0.964 -11.584   1.647
  173    HE   ARG  24           HE       ARG  24   3.646 -11.365   1.269
  174   HH11  ARG  24          1HH1      ARG  24   1.650 -11.575   4.190
  175   HH12  ARG  24          2HH1      ARG  24   2.867 -12.311   5.128
  176   HH21  ARG  24          1HH2      ARG  24   5.283 -12.424   2.561
  177   HH22  ARG  24          2HH2      ARG  24   4.959 -12.821   4.188
  178    H    ARG  25           H        ARG  25   4.620  -6.982   2.361
  179    HA   ARG  25           HA       ARG  25   4.963  -8.701   4.555
  180    HB2  ARG  25          2HB       ARG  25   6.735  -7.363   3.343
  181    HB3  ARG  25          1HB       ARG  25   6.125  -5.940   4.182
  182    HG2  ARG  25          2HG       ARG  25   6.529  -7.241   6.297
  183    HG3  ARG  25          1HG       ARG  25   7.459  -8.344   5.264
  184    HD2  ARG  25          2HD       ARG  25   9.012  -6.782   6.203
  185    HD3  ARG  25          1HD       ARG  25   8.788  -6.362   4.504
  186    HE   ARG  25           HE       ARG  25   6.974  -4.781   5.707
  187   HH11  ARG  25          1HH1      ARG  25  10.439  -5.179   6.179
  188   HH12  ARG  25          2HH1      ARG  25  10.641  -3.730   7.031
  189   HH21  ARG  25          1HH2      ARG  25   7.190  -2.855   6.893
  190   HH22  ARG  25          2HH2      ARG  25   8.730  -2.344   7.461
  191    H    ASP  26           H        ASP  26   4.067  -5.298   4.251
  192    HA   ASP  26           HA       ASP  26   3.242  -5.127   7.014
  193    HB2  ASP  26          2HB       ASP  26   3.405  -3.098   4.796
  194    HB3  ASP  26          1HB       ASP  26   2.923  -2.759   6.440
  195    H    ARG  27           H        ARG  27   1.885  -5.817   3.955
  196    HA   ARG  27           HA       ARG  27   0.008  -5.663   2.925
  197    HB2  ARG  27          2HB       ARG  27  -1.251  -6.396   5.574
  198    HB3  ARG  27          1HB       ARG  27  -1.834  -6.646   3.914
  199    HG2  ARG  27          2HG       ARG  27   0.181  -8.062   3.542
  200    HG3  ARG  27          1HG       ARG  27   0.396  -8.040   5.292
  201    HD2  ARG  27          2HD       ARG  27  -0.829 -10.004   4.736
  202    HD3  ARG  27          1HD       ARG  27  -1.946  -8.886   5.507
  203    HE   ARG  27           HE       ARG  27  -1.805  -9.459   2.627
  204   HH11  ARG  27          1HH1      ARG  27  -3.674  -8.276   5.425
  205   HH12  ARG  27          2HH1      ARG  27  -5.120  -8.093   4.557
  206   HH21  ARG  27          1HH2      ARG  27  -3.807  -9.255   1.441
  207   HH22  ARG  27          2HH2      ARG  27  -5.188  -8.649   2.228
  208    H    TRP  28           H        TRP  28   0.767  -3.074   4.274
  209    HA   TRP  28           HA       TRP  28  -1.856  -1.906   3.896
  210    HB2  TRP  28          2HB       TRP  28  -1.117   0.034   5.269
  211    HB3  TRP  28          1HB       TRP  28  -1.127  -1.476   6.122
  212    HD1  TRP  28           HD       TRP  28   1.811  -0.009   4.063
  213    HE1  TRP  28          1HE       TRP  28   3.820   0.220   5.727
  214    HE3  TRP  28          3HE       TRP  28  -0.552  -1.408   8.241
  215    HZ2  TRP  28          2HZ       TRP  28   4.251  -0.152   8.492
  216    HZ3  TRP  28          3HZ       TRP  28   0.624  -1.462  10.365
  217    HH2  TRP  28           HH       TRP  28   3.009  -0.842  10.513
  218    H    CYS  29           H        CYS  29  -1.602   0.451   3.191
  219    HA   CYS  29           HA       CYS  29  -0.337   0.363   0.603
  220    HB2  CYS  29          2HB       CYS  29  -2.627   1.360   1.161
  221    HB3  CYS  29          1HB       CYS  29  -1.755   2.668   1.945
  222    H    LYS  30           H        LYS  30   1.794   0.498   0.737
  223    HA   LYS  30           HA       LYS  30   2.982   2.136   2.788
  224    HB2  LYS  30          2HB       LYS  30   3.452  -0.295   2.476
  225    HB3  LYS  30          1HB       LYS  30   4.134   0.089   0.912
  226    HG2  LYS  30          2HG       LYS  30   5.901   1.277   1.886
  227    HG3  LYS  30          1HG       LYS  30   5.137   1.214   3.486
  228    HD2  LYS  30          2HD       LYS  30   5.283  -1.252   3.427
  229    HD3  LYS  30          1HD       LYS  30   6.131  -1.145   1.885
  230    HE2  LYS  30          2HE       LYS  30   7.967  -0.008   2.928
  231    HE3  LYS  30          1HE       LYS  30   7.091   0.086   4.454
  232    HZ1  LYS  30          1HZ       LYS  30   8.019  -2.374   3.102
  233    HZ2  LYS  30          2HZ       LYS  30   7.099  -2.357   4.516
  234    HZ3  LYS  30          3HZ       LYS  30   8.677  -1.699   4.497
  235    H    TYR  31           H        TYR  31   4.412   3.765   2.244
  236    HA   TYR  31           HA       TYR  31   3.978   5.121  -0.170
  237    HB2  TYR  31          2HB       TYR  31   4.791   6.127   2.020
  238    HB3  TYR  31          1HB       TYR  31   6.368   5.446   1.621
  239    HD1  TYR  31          1HD       TYR  31   3.747   7.679   0.229
  240    HD2  TYR  31          2HD       TYR  31   7.888   6.731   0.378
  241    HE1  TYR  31          1HE       TYR  31   4.234   9.678  -1.077
  242    HE2  TYR  31          2HE       TYR  31   8.393   8.738  -0.940
  243    HH   TYR  31           HH       TYR  31   7.239  10.212  -2.509
  244    H    TYR  32           H        TYR  32   4.894   4.928  -2.051
  245    HA   TYR  32           HA       TYR  32   6.863   2.833  -2.360
  246    HB2  TYR  32          2HB       TYR  32   4.795   2.742  -3.660
  247    HB3  TYR  32          1HB       TYR  32   5.212   4.274  -4.433
  248    HD1  TYR  32          1HD       TYR  32   6.557   0.875  -3.834
  249    HD2  TYR  32          2HD       TYR  32   6.332   4.191  -6.462
  250    HE1  TYR  32          1HE       TYR  32   7.767  -0.413  -5.531
  251    HE2  TYR  32          2HE       TYR  32   7.544   2.933  -8.179
  252    HH   TYR  32           HH       TYR  32   9.018   1.087  -8.342
  253    H    LEU  33           H        LEU  33   8.795   3.370  -2.485
  254    HA   LEU  33           HA       LEU  33   9.616   6.109  -2.785
  255    HB2  LEU  33          2HB       LEU  33  10.654   4.625  -1.124
  256    HB3  LEU  33          1HB       LEU  33  11.245   3.599  -2.413
  257    HG   LEU  33           HG       LEU  33  12.661   5.448  -3.212
  258   HD11  LEU  33          1HD1      LEU  33  12.995   7.414  -1.781
  259   HD12  LEU  33          2HD1      LEU  33  11.665   6.878  -0.753
  260   HD13  LEU  33          3HD1      LEU  33  11.359   7.335  -2.427
  261   HD21  LEU  33          1HD2      LEU  33  14.273   5.363  -1.357
  262   HD22  LEU  33          2HD2      LEU  33  13.577   3.782  -1.707
  263   HD23  LEU  33          3HD2      LEU  33  13.018   4.701  -0.312
  264    HN1  NH2  34          1H        LEU  33   9.219   6.656  -4.854
  265    HN2  NH2  34          2H        LEU  33   9.989   5.963  -6.241
  Start of MODEL    2
    1    H1   ASP   1          1HT       ASP   1 -11.313   8.870  -2.114
    2    H2   ASP   1          2HT       ASP   1 -12.044   9.548  -3.485
    3    H3   ASP   1          3HT       ASP   1 -10.398   9.806  -3.165
    4    HA   ASP   1           HA       ASP   1 -11.608   7.189  -3.745
    5    HB2  ASP   1          2HB       ASP   1 -10.539   7.299  -5.889
    6    HB3  ASP   1          1HB       ASP   1 -11.375   8.831  -5.704
    7    H    CYS   2           H        CYS   2  -9.598   5.784  -4.442
    8    HA   CYS   2           HA       CYS   2  -7.952   4.560  -3.776
    9    HB2  CYS   2          2HB       CYS   2  -5.791   5.591  -3.554
   10    HB3  CYS   2          1HB       CYS   2  -6.626   6.080  -4.990
   11    H    LEU   3           H        LEU   3  -5.977   4.360  -2.164
   12    HA   LEU   3           HA       LEU   3  -7.112   4.631   0.526
   13    HB2  LEU   3          2HB       LEU   3  -5.349   2.450  -0.583
   14    HB3  LEU   3          1HB       LEU   3  -5.871   2.577   1.082
   15    HG   LEU   3           HG       LEU   3  -7.635   2.064  -1.300
   16   HD11  LEU   3          1HD1      LEU   3  -6.239   0.153  -0.711
   17   HD12  LEU   3          2HD1      LEU   3  -7.925  -0.164  -0.295
   18   HD13  LEU   3          3HD1      LEU   3  -6.769   0.265   0.968
   19   HD21  LEU   3          1HD2      LEU   3  -8.325   2.190   1.643
   20   HD22  LEU   3          2HD2      LEU   3  -9.417   1.664   0.362
   21   HD23  LEU   3          3HD2      LEU   3  -8.841   3.329   0.398
   22    H    GLY   4           H        GLY   4  -5.515   4.961   2.200
   23    HA2  GLY   4          2HA       GLY   4  -3.140   6.113   1.106
   24    HA3  GLY   4          1HA       GLY   4  -3.882   6.586   2.646
   25    H    TRP   5           H        TRP   5  -1.894   6.155   3.659
   26    HA   TRP   5           HA       TRP   5  -0.310   3.956   3.184
   27    HB2  TRP   5          2HB       TRP   5   0.460   6.134   4.229
   28    HB3  TRP   5          1HB       TRP   5  -0.208   5.520   5.733
   29    HD1  TRP   5           HD       TRP   5   0.850   2.619   5.823
   30    HE1  TRP   5          1HE       TRP   5   3.351   2.072   6.064
   31    HE3  TRP   5          3HE       TRP   5   2.764   7.017   4.123
   32    HZ2  TRP   5          2HZ       TRP   5   5.828   3.365   5.594
   33    HZ3  TRP   5          3HZ       TRP   5   5.207   7.296   4.052
   34    HH2  TRP   5           HH       TRP   5   6.706   5.503   4.774
   35    H    PHE   6           H        PHE   6  -2.234   4.478   5.953
   36    HA   PHE   6           HA       PHE   6  -1.474   1.810   6.894
   37    HB2  PHE   6          2HB       PHE   6  -3.060   3.999   8.224
   38    HB3  PHE   6          1HB       PHE   6  -2.579   2.488   9.018
   39    HD1  PHE   6          1HD       PHE   6  -1.620   5.796   7.916
   40    HD2  PHE   6          2HD       PHE   6  -0.210   2.142   9.554
   41    HE1  PHE   6          1HE       PHE   6   0.439   6.914   8.619
   42    HE2  PHE   6          2HE       PHE   6   1.855   3.252  10.255
   43    HZ   PHE   6           HZ       PHE   6   2.176   5.644   9.791
   44    H    LYS   7           H        LYS   7  -3.392   2.344   4.711
   45    HA   LYS   7           HA       LYS   7  -5.721   0.941   5.777
   46    HB2  LYS   7          2HB       LYS   7  -5.160   1.807   2.966
   47    HB3  LYS   7          1HB       LYS   7  -6.661   1.189   3.576
   48    HG2  LYS   7          2HG       LYS   7  -5.468   3.825   4.444
   49    HG3  LYS   7          1HG       LYS   7  -6.780   3.636   3.280
   50    HD2  LYS   7          2HD       LYS   7  -8.095   2.486   5.041
   51    HD3  LYS   7          1HD       LYS   7  -6.809   2.842   6.188
   52    HE2  LYS   7          2HE       LYS   7  -8.402   4.903   4.655
   53    HE3  LYS   7          1HE       LYS   7  -8.690   4.443   6.326
   54    HZ1  LYS   7          1HZ       LYS   7  -7.410   6.479   6.166
   55    HZ2  LYS   7          2HZ       LYS   7  -6.198   5.719   5.300
   56    HZ3  LYS   7          3HZ       LYS   7  -6.501   5.276   6.899
   57    H    SER   8           H        SER   8  -6.142  -1.177   5.133
   58    HA   SER   8           HA       SER   8  -3.888  -2.693   4.511
   59    HB2  SER   8          2HB       SER   8  -6.752  -3.491   4.543
   60    HB3  SER   8          1HB       SER   8  -5.322  -4.455   4.838
   61    HG   SER   8           HG       SER   8  -4.881  -3.077   6.669
   62    H    CYS   9           H        CYS   9  -3.461  -3.629   2.674
   63    HA   CYS   9           HA       CYS   9  -5.268  -3.566   0.425
   64    HB2  CYS   9          2HB       CYS   9  -4.137  -1.537   0.151
   65    HB3  CYS   9          1HB       CYS   9  -2.570  -2.320   0.461
   66    H    ASP  10           H        ASP  10  -4.136  -4.693  -1.325
   67    HA   ASP  10           HA       ASP  10  -2.458  -6.864  -0.334
   68    HB2  ASP  10          2HB       ASP  10  -4.837  -7.551  -0.167
   69    HB3  ASP  10          1HB       ASP  10  -5.007  -7.282  -1.890
   70    HA   PRO  11           HA       PRO  11  -0.372  -5.821  -4.138
   71    HB2  PRO  11          2HB       PRO  11   0.594  -8.427  -4.573
   72    HB3  PRO  11          1HB       PRO  11   1.457  -7.108  -3.767
   73    HG2  PRO  11          2HG       PRO  11  -0.053  -9.395  -2.596
   74    HG3  PRO  11          1HG       PRO  11   1.341  -8.505  -1.956
   75    HD2  PRO  11          2HD       PRO  11  -1.132  -8.219  -0.993
   76    HD3  PRO  11          1HD       PRO  11   0.016  -6.863  -1.048
   77    H    LYS  12           H        LYS  12  -2.521  -8.584  -3.974
   78    HA   LYS  12           HA       LYS  12  -2.661  -8.713  -6.880
   79    HB2  LYS  12          2HB       LYS  12  -3.961 -10.405  -4.759
   80    HB3  LYS  12          1HB       LYS  12  -4.101 -10.681  -6.487
   81    HG2  LYS  12          2HG       LYS  12  -1.705 -11.073  -6.634
   82    HG3  LYS  12          1HG       LYS  12  -1.536 -10.754  -4.910
   83    HD2  LYS  12          2HD       LYS  12  -3.057 -12.657  -4.454
   84    HD3  LYS  12          1HD       LYS  12  -3.101 -12.994  -6.185
   85    HE2  LYS  12          2HE       LYS  12  -0.694 -13.351  -6.188
   86    HE3  LYS  12          1HE       LYS  12  -0.626 -12.986  -4.467
   87    HZ1  LYS  12          1HZ       LYS  12  -2.099 -15.271  -5.675
   88    HZ2  LYS  12          2HZ       LYS  12  -2.006 -14.898  -4.029
   89    HZ3  LYS  12          3HZ       LYS  12  -0.623 -15.344  -4.854
   90    H    ASN  13           H        ASN  13  -4.065  -6.975  -4.487
   91    HA   ASN  13           HA       ASN  13  -6.432  -6.430  -6.118
   92    HB2  ASN  13          2HB       ASN  13  -6.904  -7.981  -4.150
   93    HB3  ASN  13          1HB       ASN  13  -6.469  -6.646  -3.108
   94   HD21  ASN  13          1HD2      ASN  13  -8.280  -6.291  -6.131
   95   HD22  ASN  13          2HD2      ASN  13  -9.723  -5.736  -5.378
   96    H    ASP  14           H        ASP  14  -4.149  -5.130  -6.206
   97    HA   ASP  14           HA       ASP  14  -3.619  -3.108  -4.391
   98    HB2  ASP  14          2HB       ASP  14  -1.998  -3.522  -6.017
   99    HB3  ASP  14          1HB       ASP  14  -3.128  -3.164  -7.337
  100    H    LYS  15           H        LYS  15  -4.502  -1.451  -3.801
  101    HA   LYS  15           HA       LYS  15  -6.444  -0.044  -5.451
  102    HB2  LYS  15          2HB       LYS  15  -6.713  -1.044  -2.649
  103    HB3  LYS  15          1HB       LYS  15  -7.722   0.234  -3.290
  104    HG2  LYS  15          2HG       LYS  15  -8.568  -1.308  -5.018
  105    HG3  LYS  15          1HG       LYS  15  -7.502  -2.565  -4.407
  106    HD2  LYS  15          2HD       LYS  15  -9.697  -1.270  -2.798
  107    HD3  LYS  15          1HD       LYS  15  -9.870  -2.794  -3.663
  108    HE2  LYS  15          2HE       LYS  15  -8.064  -3.759  -2.312
  109    HE3  LYS  15          1HE       LYS  15  -7.899  -2.236  -1.442
  110    HZ1  LYS  15          1HZ       LYS  15  -9.234  -3.883  -0.244
  111    HZ2  LYS  15          2HZ       LYS  15 -10.361  -3.893  -1.490
  112    HZ3  LYS  15          3HZ       LYS  15 -10.126  -2.501  -0.590
  113    H    CYS  16           H        CYS  16  -3.533   0.284  -4.428
  114    HA   CYS  16           HA       CYS  16  -3.591   2.379  -2.550
  115    HB2  CYS  16          2HB       CYS  16  -1.458   1.168  -4.245
  116    HB3  CYS  16          1HB       CYS  16  -1.139   2.701  -3.433
  117    H    CYS  17           H        CYS  17  -2.604   4.495  -2.893
  118    HA   CYS  17           HA       CYS  17  -3.911   5.738  -5.170
  119    HB2  CYS  17          2HB       CYS  17  -4.058   6.451  -2.636
  120    HB3  CYS  17          1HB       CYS  17  -2.533   7.246  -2.989
  121    H    LYS  18           H        LYS  18  -2.343   7.987  -5.248
  122    HA   LYS  18           HA       LYS  18  -0.173   7.060  -6.893
  123    HB2  LYS  18          2HB       LYS  18  -1.591   9.002  -7.524
  124    HB3  LYS  18          1HB       LYS  18  -0.969   9.867  -6.124
  125    HG2  LYS  18          2HG       LYS  18   1.238   9.730  -6.972
  126    HG3  LYS  18          1HG       LYS  18   0.672   8.783  -8.356
  127    HD2  LYS  18          2HD       LYS  18  -0.660  10.666  -9.121
  128    HD3  LYS  18          1HD       LYS  18  -0.152  11.625  -7.730
  129    HE2  LYS  18          2HE       LYS  18   1.676  10.554  -9.896
  130    HE3  LYS  18          1HE       LYS  18   1.111  12.215  -9.770
  131    HZ1  LYS  18          1HZ       LYS  18   3.398  11.826  -8.857
  132    HZ2  LYS  18          2HZ       LYS  18   2.726  10.910  -7.616
  133    HZ3  LYS  18          3HZ       LYS  18   2.327  12.522  -7.783
  134    H    ASN  19           H        ASN  19   1.842   6.938  -6.498
  135    HA   ASN  19           HA       ASN  19   3.843   7.011  -5.501
  136    HB2  ASN  19          2HB       ASN  19   2.521   9.117  -3.884
  137    HB3  ASN  19          1HB       ASN  19   4.207   8.640  -3.574
  138   HD21  ASN  19          1HD2      ASN  19   5.748   9.148  -5.269
  139   HD22  ASN  19          2HD2      ASN  19   5.384  10.353  -6.445
  140    H    TYR  20           H        TYR  20   1.438   5.498  -4.504
  141    HA   TYR  20           HA       TYR  20   2.752   4.416  -2.133
  142    HB2  TYR  20          2HB       TYR  20  -0.177   4.753  -2.665
  143    HB3  TYR  20          1HB       TYR  20   0.464   3.668  -1.470
  144    HD1  TYR  20          1HD       TYR  20   0.109   7.262  -2.314
  145    HD2  TYR  20          2HD       TYR  20   1.248   4.435   0.649
  146    HE1  TYR  20          1HE       TYR  20   0.131   9.041  -0.629
  147    HE2  TYR  20          2HE       TYR  20   1.289   6.187   2.332
  148    HH   TYR  20           HH       TYR  20   1.454   8.631   2.527
  149    H    THR  21           H        THR  21   2.232   2.177  -1.775
  150    HA   THR  21           HA       THR  21   1.319   0.497  -3.900
  151    HB   THR  21           HB       THR  21   4.160   0.336  -3.055
  152    HG1  THR  21          1HG       THR  21   3.057   1.930  -4.916
  153   HG21  THR  21          1HG2      THR  21   3.248  -1.783  -3.764
  154   HG22  THR  21          2HG2      THR  21   4.456  -1.238  -4.928
  155   HG23  THR  21          3HG2      THR  21   2.744  -1.078  -5.307
  156    H    CYS  22           H        CYS  22   0.695  -1.390  -2.833
  157    HA   CYS  22           HA       CYS  22   1.148  -1.240  -0.048
  158    HB2  CYS  22          2HB       CYS  22  -0.595  -2.998   0.074
  159    HB3  CYS  22          1HB       CYS  22  -1.100  -1.381  -0.435
  160    H    SER  23           H        SER  23   1.915  -2.563   1.261
  161    HA   SER  23           HA       SER  23   4.018  -4.296   0.363
  162    HB2  SER  23          2HB       SER  23   4.350  -2.776   2.260
  163    HB3  SER  23          1HB       SER  23   2.963  -3.460   3.091
  164    HG   SER  23           HG       SER  23   5.189  -4.161   3.735
  165    H    ARG  24           H        ARG  24   4.141  -6.507   1.103
  166    HA   ARG  24           HA       ARG  24   1.523  -7.816   1.468
  167    HB2  ARG  24          2HB       ARG  24   3.414  -8.353  -0.306
  168    HB3  ARG  24          1HB       ARG  24   4.041  -9.290   1.056
  169    HG2  ARG  24          2HG       ARG  24   1.395  -9.660  -0.376
  170    HG3  ARG  24          1HG       ARG  24   2.774 -10.751  -0.406
  171    HD2  ARG  24          2HD       ARG  24   1.049 -10.093   1.973
  172    HD3  ARG  24          1HD       ARG  24   0.948 -11.558   0.999
  173    HE   ARG  24           HE       ARG  24   3.549 -11.149   2.089
  174   HH11  ARG  24          1HH1      ARG  24   0.337 -12.472   2.760
  175   HH12  ARG  24          2HH1      ARG  24   0.843 -13.398   4.092
  176   HH21  ARG  24          1HH2      ARG  24   4.239 -12.365   3.893
  177   HH22  ARG  24          2HH2      ARG  24   3.154 -13.340   4.781
  178    H    ARG  25           H        ARG  25   4.742  -7.288   2.679
  179    HA   ARG  25           HA       ARG  25   4.861  -9.078   4.807
  180    HB2  ARG  25          2HB       ARG  25   6.722  -7.740   3.859
  181    HB3  ARG  25          1HB       ARG  25   5.987  -6.299   4.537
  182    HG2  ARG  25          2HG       ARG  25   6.242  -7.269   6.759
  183    HG3  ARG  25          1HG       ARG  25   7.128  -8.617   6.007
  184    HD2  ARG  25          2HD       ARG  25   8.681  -6.913   6.869
  185    HD3  ARG  25          1HD       ARG  25   8.765  -7.039   5.112
  186    HE   ARG  25           HE       ARG  25   6.907  -5.027   5.981
  187   HH11  ARG  25          1HH1      ARG  25  10.309  -5.565   5.221
  188   HH12  ARG  25          2HH1      ARG  25  10.652  -3.911   5.017
  189   HH21  ARG  25          1HH2      ARG  25   7.304  -2.905   5.672
  190   HH22  ARG  25          2HH2      ARG  25   8.870  -2.301   5.312
  191    H    ASP  26           H        ASP  26   3.946  -5.697   4.615
  192    HA   ASP  26           HA       ASP  26   2.834  -5.687   7.293
  193    HB2  ASP  26          2HB       ASP  26   3.109  -3.495   5.264
  194    HB3  ASP  26          1HB       ASP  26   2.677  -3.340   6.946
  195    H    ARG  27           H        ARG  27   1.855  -5.807   3.936
  196    HA   ARG  27           HA       ARG  27   0.079  -5.453   2.787
  197    HB2  ARG  27          2HB       ARG  27  -1.433  -6.501   5.175
  198    HB3  ARG  27          1HB       ARG  27  -1.871  -6.490   3.451
  199    HG2  ARG  27          2HG       ARG  27  -0.016  -7.935   2.954
  200    HG3  ARG  27          1HG       ARG  27   0.360  -8.029   4.674
  201    HD2  ARG  27          2HD       ARG  27  -0.871  -9.952   4.114
  202    HD3  ARG  27          1HD       ARG  27  -1.946  -8.888   5.022
  203    HE   ARG  27           HE       ARG  27  -1.967  -9.069   2.089
  204   HH11  ARG  27          1HH1      ARG  27  -3.713  -8.839   5.174
  205   HH12  ARG  27          2HH1      ARG  27  -5.244  -9.055   4.488
  206   HH21  ARG  27          1HH2      ARG  27  -4.121  -9.437   1.133
  207   HH22  ARG  27          2HH2      ARG  27  -5.479  -9.437   2.149
  208    H    TRP  28           H        TRP  28   0.882  -3.184   4.515
  209    HA   TRP  28           HA       TRP  28  -1.639  -1.757   4.218
  210    HB2  TRP  28          2HB       TRP  28  -0.539   0.163   5.349
  211    HB3  TRP  28          1HB       TRP  28  -0.655  -1.262   6.353
  212    HD1  TRP  28           HD       TRP  28   2.333  -1.155   3.954
  213    HE1  TRP  28          1HE       TRP  28   4.484  -0.737   5.387
  214    HE3  TRP  28          3HE       TRP  28   0.139   0.003   8.342
  215    HZ2  TRP  28          2HZ       TRP  28   5.108   0.026   8.017
  216    HZ3  TRP  28          3HZ       TRP  28   1.561   0.586  10.309
  217    HH2  TRP  28           HH       TRP  28   3.990   0.593  10.126
  218    H    CYS  29           H        CYS  29  -1.345   0.482   3.299
  219    HA   CYS  29           HA       CYS  29  -0.091   0.115   0.702
  220    HB2  CYS  29          2HB       CYS  29  -2.433   0.975   0.973
  221    HB3  CYS  29          1HB       CYS  29  -1.766   2.386   1.781
  222    H    LYS  30           H        LYS  30   2.001   0.343   0.871
  223    HA   LYS  30           HA       LYS  30   3.185   2.050   2.844
  224    HB2  LYS  30          2HB       LYS  30   3.884  -0.289   2.357
  225    HB3  LYS  30          1HB       LYS  30   4.302   0.203   0.733
  226    HG2  LYS  30          2HG       LYS  30   6.003   1.699   1.664
  227    HG3  LYS  30          1HG       LYS  30   5.605   1.092   3.282
  228    HD2  LYS  30          2HD       LYS  30   6.136  -1.198   2.535
  229    HD3  LYS  30          1HD       LYS  30   6.582  -0.569   0.950
  230    HE2  LYS  30          2HE       LYS  30   8.346   0.783   2.036
  231    HE3  LYS  30          1HE       LYS  30   7.916   0.043   3.577
  232    HZ1  LYS  30          1HZ       LYS  30   8.480  -2.155   2.567
  233    HZ2  LYS  30          2HZ       LYS  30   9.777  -1.085   2.637
  234    HZ3  LYS  30          3HZ       LYS  30   9.000  -1.329   1.185
  235    H    TYR  31           H        TYR  31   4.621   3.738   2.194
  236    HA   TYR  31           HA       TYR  31   3.860   5.110  -0.166
  237    HB2  TYR  31          2HB       TYR  31   4.767   6.188   1.950
  238    HB3  TYR  31          1HB       TYR  31   6.343   5.550   1.477
  239    HD1  TYR  31          1HD       TYR  31   3.634   7.833   0.411
  240    HD2  TYR  31          2HD       TYR  31   7.697   6.689  -0.064
  241    HE1  TYR  31          1HE       TYR  31   4.015   9.809  -0.975
  242    HE2  TYR  31          2HE       TYR  31   8.099   8.652  -1.454
  243    HH   TYR  31           HH       TYR  31   6.788  10.137  -2.871
  244    H    TYR  32           H        TYR  32   4.916   5.187  -2.092
  245    HA   TYR  32           HA       TYR  32   6.667   2.966  -2.594
  246    HB2  TYR  32          2HB       TYR  32   4.875   3.295  -4.160
  247    HB3  TYR  32          1HB       TYR  32   5.365   4.975  -4.376
  248    HD1  TYR  32          1HD       TYR  32   6.926   1.610  -4.655
  249    HD2  TYR  32          2HD       TYR  32   6.411   5.462  -6.334
  250    HE1  TYR  32          1HE       TYR  32   8.337   0.950  -6.562
  251    HE2  TYR  32          2HE       TYR  32   7.808   4.842  -8.249
  252    HH   TYR  32           HH       TYR  32   9.540   3.249  -8.774
  253    H    LEU  33           H        LEU  33   8.639   3.174  -2.347
  254    HA   LEU  33           HA       LEU  33   9.996   5.739  -2.621
  255    HB2  LEU  33          2HB       LEU  33  11.035   3.063  -1.652
  256    HB3  LEU  33          1HB       LEU  33  12.050   4.467  -1.855
  257    HG   LEU  33           HG       LEU  33  11.656   4.273   0.433
  258   HD11  LEU  33          1HD1      LEU  33  10.421   6.268   1.070
  259   HD12  LEU  33          2HD1      LEU  33   9.794   6.387  -0.575
  260   HD13  LEU  33          3HD1      LEU  33  11.525   6.533  -0.279
  261   HD21  LEU  33          1HD2      LEU  33   9.797   2.719   0.434
  262   HD22  LEU  33          2HD2      LEU  33   8.707   3.987  -0.122
  263   HD23  LEU  33          3HD2      LEU  33   9.438   4.095   1.480
  264    HN1  NH2  34          1H        LEU  33   9.934   6.034  -4.768
  265    HN2  NH2  34          2H        LEU  33  10.755   5.040  -5.920
  Start of MODEL    3
    1    H1   ASP   1          1HT       ASP   1 -10.275   4.450  -7.197
    2    H2   ASP   1          2HT       ASP   1 -11.930   4.542  -6.872
    3    H3   ASP   1          3HT       ASP   1 -10.996   3.257  -6.271
    4    HA   ASP   1           HA       ASP   1 -10.616   6.082  -5.497
    5    HB2  ASP   1          2HB       ASP   1 -11.754   3.740  -3.943
    6    HB3  ASP   1          1HB       ASP   1 -11.398   5.320  -3.270
    7    H    CYS   2           H        CYS   2  -8.986   6.269  -3.785
    8    HA   CYS   2           HA       CYS   2  -7.377   3.871  -3.714
    9    HB2  CYS   2          2HB       CYS   2  -5.338   5.149  -3.699
   10    HB3  CYS   2          1HB       CYS   2  -6.192   5.295  -5.209
   11    H    LEU   3           H        LEU   3  -5.619   4.092  -2.075
   12    HA   LEU   3           HA       LEU   3  -6.956   4.733   0.457
   13    HB2  LEU   3          2HB       LEU   3  -5.111   2.496  -0.246
   14    HB3  LEU   3          1HB       LEU   3  -5.738   2.801   1.361
   15    HG   LEU   3           HG       LEU   3  -7.340   1.949  -1.058
   16   HD11  LEU   3          1HD1      LEU   3  -5.983   0.170  -0.123
   17   HD12  LEU   3          2HD1      LEU   3  -7.692  -0.111   0.204
   18   HD13  LEU   3          3HD1      LEU   3  -6.639   0.490   1.482
   19   HD21  LEU   3          1HD2      LEU   3  -9.232   1.760   0.502
   20   HD22  LEU   3          2HD2      LEU   3  -8.669   3.422   0.351
   21   HD23  LEU   3          3HD2      LEU   3  -8.240   2.471   1.776
   22    H    GLY   4           H        GLY   4  -5.493   5.249   2.216
   23    HA2  GLY   4          2HA       GLY   4  -3.035   6.227   1.195
   24    HA3  GLY   4          1HA       GLY   4  -3.815   6.790   2.693
   25    H    TRP   5           H        TRP   5  -1.855   6.298   3.758
   26    HA   TRP   5           HA       TRP   5  -0.383   4.013   3.394
   27    HB2  TRP   5          2HB       TRP   5   0.424   6.196   4.391
   28    HB3  TRP   5          1HB       TRP   5  -0.254   5.622   5.908
   29    HD1  TRP   5           HD       TRP   5   0.733   2.677   6.014
   30    HE1  TRP   5          1HE       TRP   5   3.211   2.087   6.185
   31    HE3  TRP   5          3HE       TRP   5   2.666   7.047   4.290
   32    HZ2  TRP   5          2HZ       TRP   5   5.679   3.337   5.671
   33    HZ3  TRP   5          3HZ       TRP   5   5.100   7.288   4.171
   34    HH2  TRP   5           HH       TRP   5   6.581   5.468   4.846
   35    H    PHE   6           H        PHE   6  -2.046   4.734   6.282
   36    HA   PHE   6           HA       PHE   6  -1.716   1.972   7.144
   37    HB2  PHE   6          2HB       PHE   6  -2.796   4.426   8.493
   38    HB3  PHE   6          1HB       PHE   6  -2.853   2.841   9.286
   39    HD1  PHE   6          1HD       PHE   6  -0.919   1.967  10.304
   40    HD2  PHE   6          2HD       PHE   6  -0.687   5.504   7.963
   41    HE1  PHE   6          1HE       PHE   6   1.343   2.386  11.157
   42    HE2  PHE   6          2HE       PHE   6   1.573   5.920   8.805
   43    HZ   PHE   6           HZ       PHE   6   2.582   4.364  10.405
   44    H    LYS   7           H        LYS   7  -3.304   2.148   4.997
   45    HA   LYS   7           HA       LYS   7  -5.837   1.152   6.077
   46    HB2  LYS   7          2HB       LYS   7  -5.160   2.067   3.291
   47    HB3  LYS   7          1HB       LYS   7  -6.680   1.380   3.782
   48    HG2  LYS   7          2HG       LYS   7  -5.596   3.968   4.891
   49    HG3  LYS   7          1HG       LYS   7  -6.769   3.862   3.574
   50    HD2  LYS   7          2HD       LYS   7  -8.335   2.714   5.060
   51    HD3  LYS   7          1HD       LYS   7  -7.165   2.786   6.372
   52    HE2  LYS   7          2HE       LYS   7  -8.865   4.531   6.604
   53    HE3  LYS   7          1HE       LYS   7  -7.270   5.225   6.353
   54    HZ1  LYS   7          1HZ       LYS   7  -9.331   4.915   4.227
   55    HZ2  LYS   7          2HZ       LYS   7  -7.834   5.675   4.067
   56    HZ3  LYS   7          3HZ       LYS   7  -8.999   6.331   5.058
   57    H    SER   8           H        SER   8  -6.459  -0.920   5.219
   58    HA   SER   8           HA       SER   8  -4.205  -2.565   4.821
   59    HB2  SER   8          2HB       SER   8  -7.041  -3.322   4.619
   60    HB3  SER   8          1HB       SER   8  -5.667  -4.207   5.246
   61    HG   SER   8           HG       SER   8  -5.635  -2.298   6.862
   62    H    CYS   9           H        CYS   9  -3.630  -3.272   2.918
   63    HA   CYS   9           HA       CYS   9  -5.471  -3.220   0.675
   64    HB2  CYS   9          2HB       CYS   9  -4.335  -1.179   0.484
   65    HB3  CYS   9          1HB       CYS   9  -2.761  -1.982   0.692
   66    H    ASP  10           H        ASP  10  -4.379  -4.290  -1.119
   67    HA   ASP  10           HA       ASP  10  -2.639  -6.427  -0.171
   68    HB2  ASP  10          2HB       ASP  10  -5.070  -7.179  -0.141
   69    HB3  ASP  10          1HB       ASP  10  -5.026  -7.044  -1.892
   70    HA   PRO  11           HA       PRO  11  -0.362  -5.225  -3.786
   71    HB2  PRO  11          2HB       PRO  11   0.763  -7.764  -4.179
   72    HB3  PRO  11          1HB       PRO  11   1.460  -6.470  -3.193
   73    HG2  PRO  11          2HG       PRO  11  -0.216  -8.817  -2.328
   74    HG3  PRO  11          1HG       PRO  11   1.147  -8.078  -1.501
   75    HD2  PRO  11          2HD       PRO  11  -1.264  -7.664  -0.692
   76    HD3  PRO  11          1HD       PRO  11  -0.116  -6.304  -0.736
   77    H    LYS  12           H        LYS  12  -2.363  -8.047  -3.758
   78    HA   LYS  12           HA       LYS  12  -2.333  -8.432  -6.627
   79    HB2  LYS  12          2HB       LYS  12  -3.905  -9.703  -4.410
   80    HB3  LYS  12          1HB       LYS  12  -3.979 -10.189  -6.090
   81    HG2  LYS  12          2HG       LYS  12  -1.797 -11.053  -6.063
   82    HG3  LYS  12          1HG       LYS  12  -1.386 -10.198  -4.574
   83    HD2  LYS  12          2HD       LYS  12  -1.773 -12.639  -4.254
   84    HD3  LYS  12          1HD       LYS  12  -2.833 -11.612  -3.298
   85    HE2  LYS  12          2HE       LYS  12  -4.589 -11.929  -5.044
   86    HE3  LYS  12          1HE       LYS  12  -3.512 -13.068  -5.854
   87    HZ1  LYS  12          1HZ       LYS  12  -5.134 -14.182  -4.426
   88    HZ2  LYS  12          2HZ       LYS  12  -4.537 -13.346  -3.089
   89    HZ3  LYS  12          3HZ       LYS  12  -3.564 -14.448  -3.879
   90    H    ASN  13           H        ASN  13  -3.964  -6.512  -4.450
   91    HA   ASN  13           HA       ASN  13  -6.277  -6.158  -6.247
   92    HB2  ASN  13          2HB       ASN  13  -6.644  -7.829  -4.317
   93    HB3  ASN  13          1HB       ASN  13  -6.541  -6.442  -3.251
   94   HD21  ASN  13          1HD2      ASN  13  -8.620  -6.790  -2.528
   95   HD22  ASN  13          2HD2      ASN  13 -10.024  -6.464  -3.476
   96    H    ASP  14           H        ASP  14  -4.096  -4.697  -6.049
   97    HA   ASP  14           HA       ASP  14  -3.640  -2.720  -4.200
   98    HB2  ASP  14          2HB       ASP  14  -2.035  -3.013  -5.857
   99    HB3  ASP  14          1HB       ASP  14  -3.192  -2.694  -7.152
  100    H    LYS  15           H        LYS  15  -4.396  -0.902  -3.597
  101    HA   LYS  15           HA       LYS  15  -6.328   0.558  -5.211
  102    HB2  LYS  15          2HB       LYS  15  -6.502  -0.181  -2.314
  103    HB3  LYS  15          1HB       LYS  15  -7.473   1.055  -3.082
  104    HG2  LYS  15          2HG       LYS  15  -8.473  -0.637  -4.526
  105    HG3  LYS  15          1HG       LYS  15  -7.443  -1.867  -3.789
  106    HD2  LYS  15          2HD       LYS  15  -8.482  -1.390  -1.607
  107    HD3  LYS  15          1HD       LYS  15  -9.550  -0.223  -2.391
  108    HE2  LYS  15          2HE       LYS  15 -10.658  -2.375  -2.077
  109    HE3  LYS  15          1HE       LYS  15 -10.467  -1.988  -3.786
  110    HZ1  LYS  15          1HZ       LYS  15  -8.526  -3.435  -3.858
  111    HZ2  LYS  15          2HZ       LYS  15  -9.901  -4.259  -3.381
  112    HZ3  LYS  15          3HZ       LYS  15  -8.736  -3.826  -2.225
  113    H    CYS  16           H        CYS  16  -3.323   0.784  -4.300
  114    HA   CYS  16           HA       CYS  16  -3.396   2.926  -2.440
  115    HB2  CYS  16          2HB       CYS  16  -1.230   1.617  -3.981
  116    HB3  CYS  16          1HB       CYS  16  -0.943   3.142  -3.137
  117    H    CYS  17           H        CYS  17  -2.879   5.109  -2.650
  118    HA   CYS  17           HA       CYS  17  -3.608   6.305  -5.037
  119    HB2  CYS  17          2HB       CYS  17  -2.331   7.299  -2.485
  120    HB3  CYS  17          1HB       CYS  17  -2.835   8.345  -3.788
  121    H    LYS  18           H        LYS  18  -1.930   8.150  -5.635
  122    HA   LYS  18           HA       LYS  18   0.224   6.811  -6.858
  123    HB2  LYS  18          2HB       LYS  18  -0.924   8.667  -7.952
  124    HB3  LYS  18          1HB       LYS  18  -0.480   9.733  -6.634
  125    HG2  LYS  18          2HG       LYS  18   0.921  10.167  -8.500
  126    HG3  LYS  18          1HG       LYS  18   1.824   9.443  -7.153
  127    HD2  LYS  18          2HD       LYS  18   2.579   8.439  -9.250
  128    HD3  LYS  18          1HD       LYS  18   1.727   7.238  -8.289
  129    HE2  LYS  18          2HE       LYS  18   1.045   7.008 -10.578
  130    HE3  LYS  18          1HE       LYS  18  -0.312   7.684  -9.685
  131    HZ1  LYS  18          1HZ       LYS  18   1.599   9.214 -11.365
  132    HZ2  LYS  18          2HZ       LYS  18   0.324   9.896 -10.536
  133    HZ3  LYS  18          3HZ       LYS  18   0.024   8.818 -11.799
  134    H    ASN  19           H        ASN  19   2.346   6.814  -6.317
  135    HA   ASN  19           HA       ASN  19   4.306   7.164  -5.272
  136    HB2  ASN  19          2HB       ASN  19   3.750   9.542  -5.208
  137    HB3  ASN  19          1HB       ASN  19   2.847   9.330  -3.730
  138   HD21  ASN  19          1HD2      ASN  19   3.907   9.299  -1.819
  139   HD22  ASN  19          2HD2      ASN  19   5.587   9.599  -1.626
  140    H    TYR  20           H        TYR  20   1.766   5.825  -4.240
  141    HA   TYR  20           HA       TYR  20   3.005   4.657  -1.843
  142    HB2  TYR  20          2HB       TYR  20   0.106   4.946  -2.573
  143    HB3  TYR  20          1HB       TYR  20   0.698   3.953  -1.273
  144    HD1  TYR  20          1HD       TYR  20   0.041   7.371  -2.379
  145    HD2  TYR  20          2HD       TYR  20   1.457   4.957   0.820
  146    HE1  TYR  20          1HE       TYR  20  -0.239   9.253  -0.846
  147    HE2  TYR  20          2HE       TYR  20   1.203   6.831   2.365
  148    HH   TYR  20           HH       TYR  20   1.045   9.281   2.331
  149    H    THR  21           H        THR  21   2.424   2.372  -1.607
  150    HA   THR  21           HA       THR  21   1.294   0.845  -3.774
  151    HB   THR  21           HB       THR  21   4.091   0.233  -2.944
  152    HG1  THR  21          1HG       THR  21   3.247   2.103  -4.705
  153   HG21  THR  21          1HG2      THR  21   2.455  -0.719  -5.291
  154   HG22  THR  21          2HG2      THR  21   2.856  -1.624  -3.830
  155   HG23  THR  21          3HG2      THR  21   4.126  -1.194  -4.976
  156    H    CYS  22           H        CYS  22   0.523  -1.119  -2.767
  157    HA   CYS  22           HA       CYS  22   1.027  -1.005   0.007
  158    HB2  CYS  22          2HB       CYS  22  -0.820  -2.634   0.177
  159    HB3  CYS  22          1HB       CYS  22  -1.262  -0.989  -0.298
  160    H    SER  23           H        SER  23   1.864  -2.321   1.210
  161    HA   SER  23           HA       SER  23   3.783  -4.121   0.141
  162    HB2  SER  23          2HB       SER  23   4.292  -2.658   2.009
  163    HB3  SER  23          1HB       SER  23   2.964  -3.328   2.941
  164    HG   SER  23           HG       SER  23   5.215  -4.095   3.383
  165    H    ARG  24           H        ARG  24   3.969  -6.304   0.925
  166    HA   ARG  24           HA       ARG  24   1.395  -7.666   1.349
  167    HB2  ARG  24          2HB       ARG  24   2.784  -8.289  -0.616
  168    HB3  ARG  24          1HB       ARG  24   4.040  -8.719   0.519
  169    HG2  ARG  24          2HG       ARG  24   2.838 -10.704  -0.321
  170    HG3  ARG  24          1HG       ARG  24   2.762 -10.524   1.425
  171    HD2  ARG  24          2HD       ARG  24   0.468  -9.712   1.288
  172    HD3  ARG  24          1HD       ARG  24   0.541  -9.688  -0.470
  173    HE   ARG  24           HE       ARG  24   1.192 -12.228   0.600
  174   HH11  ARG  24          1HH1      ARG  24  -1.803 -10.294  -0.160
  175   HH12  ARG  24          2HH1      ARG  24  -2.624 -11.678  -0.594
  176   HH21  ARG  24          1HH2      ARG  24  -0.076 -14.012  -0.030
  177   HH22  ARG  24          2HH2      ARG  24  -1.698 -13.813  -0.523
  178    H    ARG  25           H        ARG  25   4.642  -7.185   2.503
  179    HA   ARG  25           HA       ARG  25   4.678  -9.037   4.622
  180    HB2  ARG  25          2HB       ARG  25   6.645  -7.937   3.656
  181    HB3  ARG  25          1HB       ARG  25   6.043  -6.388   4.213
  182    HG2  ARG  25          2HG       ARG  25   6.172  -7.226   6.509
  183    HG3  ARG  25          1HG       ARG  25   6.968  -8.676   5.859
  184    HD2  ARG  25          2HD       ARG  25   8.612  -7.022   6.660
  185    HD3  ARG  25          1HD       ARG  25   8.741  -7.299   4.922
  186    HE   ARG  25           HE       ARG  25   7.008  -5.112   5.436
  187   HH11  ARG  25          1HH1      ARG  25  10.449  -5.867   5.586
  188   HH12  ARG  25          2HH1      ARG  25  10.943  -4.305   5.143
  189   HH21  ARG  25          1HH2      ARG  25   7.597  -3.070   4.917
  190   HH22  ARG  25          2HH2      ARG  25   9.260  -2.620   4.722
  191    H    ASP  26           H        ASP  26   4.059  -5.608   4.325
  192    HA   ASP  26           HA       ASP  26   3.118  -5.423   7.049
  193    HB2  ASP  26          2HB       ASP  26   3.297  -3.223   4.993
  194    HB3  ASP  26          1HB       ASP  26   3.192  -3.114   6.724
  195    H    ARG  27           H        ARG  27   1.881  -5.610   3.752
  196    HA   ARG  27           HA       ARG  27   0.030  -5.162   2.755
  197    HB2  ARG  27          2HB       ARG  27  -1.122  -6.445   5.234
  198    HB3  ARG  27          1HB       ARG  27  -1.943  -6.108   3.701
  199    HG2  ARG  27          2HG       ARG  27  -0.530  -7.571   2.504
  200    HG3  ARG  27          1HG       ARG  27   0.458  -7.865   3.938
  201    HD2  ARG  27          2HD       ARG  27  -1.459  -8.858   5.058
  202    HD3  ARG  27          1HD       ARG  27  -2.460  -8.524   3.661
  203    HE   ARG  27           HE       ARG  27  -0.209 -10.106   2.974
  204   HH11  ARG  27          1HH1      ARG  27  -3.531 -10.218   4.240
  205   HH12  ARG  27          2HH1      ARG  27  -3.696 -11.902   4.120
  206   HH21  ARG  27          1HH2      ARG  27  -0.441 -12.457   2.843
  207   HH22  ARG  27          2HH2      ARG  27  -1.887 -13.223   3.321
  208    H    TRP  28           H        TRP  28   0.921  -2.931   4.483
  209    HA   TRP  28           HA       TRP  28  -1.621  -1.489   4.313
  210    HB2  TRP  28          2HB       TRP  28  -0.489   0.380   5.495
  211    HB3  TRP  28          1HB       TRP  28  -0.572  -1.081   6.451
  212    HD1  TRP  28           HD       TRP  28   2.306  -0.672   3.927
  213    HE1  TRP  28          1HE       TRP  28   4.507  -0.371   5.298
  214    HE3  TRP  28          3HE       TRP  28   0.302  -0.184   8.522
  215    HZ2  TRP  28          2HZ       TRP  28   5.243   0.045   7.966
  216    HZ3  TRP  28          3HZ       TRP  28   1.801   0.174  10.472
  217    HH2  TRP  28           HH       TRP  28   4.219   0.286  10.182
  218    H    CYS  29           H        CYS  29  -1.113   0.887   3.532
  219    HA   CYS  29           HA       CYS  29   0.013   0.469   0.889
  220    HB2  CYS  29          2HB       CYS  29  -2.243   1.488   1.258
  221    HB3  CYS  29          1HB       CYS  29  -1.451   2.844   2.039
  222    H    LYS  30           H        LYS  30   2.100   0.538   0.982
  223    HA   LYS  30           HA       LYS  30   3.579   2.031   2.916
  224    HB2  LYS  30          2HB       LYS  30   3.945  -0.337   2.220
  225    HB3  LYS  30          1HB       LYS  30   4.379   0.236   0.630
  226    HG2  LYS  30          2HG       LYS  30   6.313   1.343   1.548
  227    HG3  LYS  30          1HG       LYS  30   5.854   0.814   3.179
  228    HD2  LYS  30          2HD       LYS  30   5.931  -1.544   2.366
  229    HD3  LYS  30          1HD       LYS  30   6.556  -0.955   0.828
  230    HE2  LYS  30          2HE       LYS  30   7.874  -0.635   3.519
  231    HE3  LYS  30          1HE       LYS  30   8.296  -1.832   2.308
  232    HZ1  LYS  30          1HZ       LYS  30   8.501   1.106   1.952
  233    HZ2  LYS  30          2HZ       LYS  30   8.981  -0.058   0.835
  234    HZ3  LYS  30          3HZ       LYS  30   9.765   0.076   2.315
  235    H    TYR  31           H        TYR  31   5.202   3.533   2.294
  236    HA   TYR  31           HA       TYR  31   4.504   5.332   0.178
  237    HB2  TYR  31          2HB       TYR  31   5.622   5.797   2.479
  238    HB3  TYR  31          1HB       TYR  31   7.082   5.227   1.683
  239    HD1  TYR  31          1HD       TYR  31   8.157   6.574  -0.070
  240    HD2  TYR  31          2HD       TYR  31   4.715   7.967   2.002
  241    HE1  TYR  31          1HE       TYR  31   8.620   8.851  -0.835
  242    HE2  TYR  31          2HE       TYR  31   5.164  10.240   1.244
  243    HH   TYR  31           HH       TYR  31   7.100  11.573   0.459
  244    H    TYR  32           H        TYR  32   5.300   5.258  -1.866
  245    HA   TYR  32           HA       TYR  32   7.201   3.163  -2.487
  246    HB2  TYR  32          2HB       TYR  32   5.177   3.238  -3.816
  247    HB3  TYR  32          1HB       TYR  32   5.522   4.916  -4.248
  248    HD1  TYR  32          1HD       TYR  32   6.889   1.496  -4.531
  249    HD2  TYR  32          2HD       TYR  32   6.725   5.391  -6.167
  250    HE1  TYR  32          1HE       TYR  32   8.166   0.714  -6.485
  251    HE2  TYR  32          2HE       TYR  32   7.991   4.654  -8.126
  252    HH   TYR  32           HH       TYR  32   8.419   1.512  -8.963
  253    H    LEU  33           H        LEU  33   9.206   3.558  -2.717
  254    HA   LEU  33           HA       LEU  33  10.132   6.253  -3.395
  255    HB2  LEU  33          2HB       LEU  33  11.536   4.008  -1.940
  256    HB3  LEU  33          1HB       LEU  33  12.334   5.476  -2.454
  257    HG   LEU  33           HG       LEU  33  10.042   5.380  -0.488
  258   HD11  LEU  33          1HD1      LEU  33  11.741   5.841   1.204
  259   HD12  LEU  33          2HD1      LEU  33  13.002   5.697  -0.020
  260   HD13  LEU  33          3HD1      LEU  33  12.030   4.292   0.412
  261   HD21  LEU  33          1HD2      LEU  33  11.921   7.607  -1.282
  262   HD22  LEU  33          2HD2      LEU  33  10.699   7.690  -0.015
  263   HD23  LEU  33          3HD2      LEU  33  10.209   7.497  -1.695
  264    HN1  NH2  34          1H        LEU  33  11.913   3.259  -3.637
  265    HN2  NH2  34          2H        LEU  33  12.125   3.285  -5.348
  Start of MODEL    4
    1    H1   ASP   1          1HT       ASP   1 -11.458   6.020  -6.038
    2    H2   ASP   1          2HT       ASP   1 -12.878   6.550  -5.252
    3    H3   ASP   1          3HT       ASP   1 -12.300   4.965  -5.042
    4    HA   ASP   1           HA       ASP   1 -10.829   7.347  -4.201
    5    HB2  ASP   1          2HB       ASP   1 -12.460   5.365  -2.589
    6    HB3  ASP   1          1HB       ASP   1 -11.419   6.611  -1.909
    7    H    CYS   2           H        CYS   2  -9.020   6.724  -2.864
    8    HA   CYS   2           HA       CYS   2  -8.124   4.036  -3.533
    9    HB2  CYS   2          2HB       CYS   2  -5.804   5.018  -3.562
   10    HB3  CYS   2          1HB       CYS   2  -6.813   5.451  -4.916
   11    H    LEU   3           H        LEU   3  -5.976   3.761  -2.138
   12    HA   LEU   3           HA       LEU   3  -6.896   4.083   0.613
   13    HB2  LEU   3          2HB       LEU   3  -5.193   1.957  -0.634
   14    HB3  LEU   3          1HB       LEU   3  -5.582   2.052   1.068
   15    HG   LEU   3           HG       LEU   3  -7.521   1.510  -1.188
   16   HD11  LEU   3          1HD1      LEU   3  -6.551  -0.236   1.061
   17   HD12  LEU   3          2HD1      LEU   3  -6.059  -0.361  -0.623
   18   HD13  LEU   3          3HD1      LEU   3  -7.735  -0.682  -0.167
   19   HD21  LEU   3          1HD2      LEU   3  -8.029   1.704   1.787
   20   HD22  LEU   3          2HD2      LEU   3  -9.188   1.148   0.582
   21   HD23  LEU   3          3HD2      LEU   3  -8.625   2.817   0.552
   22    H    GLY   4           H        GLY   4  -5.513   5.031   2.015
   23    HA2  GLY   4          2HA       GLY   4  -3.052   5.842   0.869
   24    HA3  GLY   4          1HA       GLY   4  -3.747   6.511   2.354
   25    H    TRP   5           H        TRP   5  -1.854   6.074   3.515
   26    HA   TRP   5           HA       TRP   5  -0.303   3.844   3.160
   27    HB2  TRP   5          2HB       TRP   5   0.469   6.040   4.167
   28    HB3  TRP   5          1HB       TRP   5  -0.220   5.461   5.676
   29    HD1  TRP   5           HD       TRP   5   0.801   2.517   5.784
   30    HE1  TRP   5          1HE       TRP   5   3.269   1.929   5.998
   31    HE3  TRP   5          3HE       TRP   5   2.784   6.901   4.140
   32    HZ2  TRP   5          2HZ       TRP   5   5.761   3.176   5.557
   33    HZ3  TRP   5          3HZ       TRP   5   5.234   7.128   4.078
   34    HH2  TRP   5           HH       TRP   5   6.683   5.285   4.776
   35    H    PHE   6           H        PHE   6  -2.067   4.521   5.996
   36    HA   PHE   6           HA       PHE   6  -1.522   1.799   6.943
   37    HB2  PHE   6          2HB       PHE   6  -2.873   4.148   8.242
   38    HB3  PHE   6          1HB       PHE   6  -2.437   2.650   9.108
   39    HD1  PHE   6          1HD       PHE   6   0.092   2.094   9.039
   40    HD2  PHE   6          2HD       PHE   6  -1.530   5.932   8.207
   41    HE1  PHE   6          1HE       PHE   6   2.263   3.111   9.514
   42    HE2  PHE   6          2HE       PHE   6   0.638   6.958   8.676
   43    HZ   PHE   6           HZ       PHE   6   2.538   5.549   9.332
   44    H    LYS   7           H        LYS   7  -3.301   2.169   4.783
   45    HA   LYS   7           HA       LYS   7  -5.769   1.078   5.905
   46    HB2  LYS   7          2HB       LYS   7  -5.212   1.949   3.098
   47    HB3  LYS   7          1HB       LYS   7  -6.763   1.562   3.782
   48    HG2  LYS   7          2HG       LYS   7  -5.105   3.960   4.587
   49    HG3  LYS   7          1HG       LYS   7  -6.521   4.003   3.538
   50    HD2  LYS   7          2HD       LYS   7  -7.918   3.195   5.360
   51    HD3  LYS   7          1HD       LYS   7  -6.506   3.063   6.406
   52    HE2  LYS   7          2HE       LYS   7  -7.536   5.631   5.196
   53    HE3  LYS   7          1HE       LYS   7  -7.859   5.093   6.839
   54    HZ1  LYS   7          1HZ       LYS   7  -5.439   5.188   7.272
   55    HZ2  LYS   7          2HZ       LYS   7  -6.089   6.662   6.822
   56    HZ3  LYS   7          3HZ       LYS   7  -5.193   5.812   5.707
   57    H    SER   8           H        SER   8  -6.342  -0.993   5.228
   58    HA   SER   8           HA       SER   8  -4.181  -2.678   4.680
   59    HB2  SER   8          2HB       SER   8  -7.071  -3.280   4.667
   60    HB3  SER   8          1HB       SER   8  -5.717  -4.304   5.099
   61    HG   SER   8           HG       SER   8  -5.312  -3.145   6.898
   62    H    CYS   9           H        CYS   9  -3.730  -3.557   2.842
   63    HA   CYS   9           HA       CYS   9  -5.559  -3.354   0.590
   64    HB2  CYS   9          2HB       CYS   9  -4.243  -1.436   0.424
   65    HB3  CYS   9          1HB       CYS   9  -2.754  -2.378   0.641
   66    H    ASP  10           H        ASP  10  -4.428  -4.473  -1.273
   67    HA   ASP  10           HA       ASP  10  -3.228  -6.956  -0.290
   68    HB2  ASP  10          2HB       ASP  10  -5.624  -7.329  -0.762
   69    HB3  ASP  10          1HB       ASP  10  -5.376  -6.745  -2.402
   70    HA   PRO  11           HA       PRO  11  -0.104  -5.740  -3.181
   71    HB2  PRO  11          2HB       PRO  11   0.858  -8.254  -3.670
   72    HB3  PRO  11          1HB       PRO  11   1.355  -7.254  -2.279
   73    HG2  PRO  11          2HG       PRO  11  -0.696  -9.440  -2.473
   74    HG3  PRO  11          1HG       PRO  11   0.468  -9.159  -1.174
   75    HD2  PRO  11          2HD       PRO  11  -2.035  -8.477  -0.882
   76    HD3  PRO  11          1HD       PRO  11  -0.762  -7.360  -0.321
   77    H    LYS  12           H        LYS  12  -2.369  -8.195  -3.980
   78    HA   LYS  12           HA       LYS  12  -1.579  -8.114  -6.797
   79    HB2  LYS  12          2HB       LYS  12  -3.500  -9.938  -5.364
   80    HB3  LYS  12          1HB       LYS  12  -2.952 -10.108  -7.028
   81    HG2  LYS  12          2HG       LYS  12  -0.684 -10.473  -6.266
   82    HG3  LYS  12          1HG       LYS  12  -1.196 -10.246  -4.595
   83    HD2  LYS  12          2HD       LYS  12  -2.664 -12.195  -4.797
   84    HD3  LYS  12          1HD       LYS  12  -2.118 -12.429  -6.458
   85    HE2  LYS  12          2HE       LYS  12  -0.413 -12.528  -3.973
   86    HE3  LYS  12          1HE       LYS  12  -0.904 -13.900  -4.964
   87    HZ1  LYS  12          1HZ       LYS  12   0.337 -12.929  -6.812
   88    HZ2  LYS  12          2HZ       LYS  12   1.317 -13.266  -5.498
   89    HZ3  LYS  12          3HZ       LYS  12   0.880 -11.673  -5.817
   90    H    ASN  13           H        ASN  13  -3.620  -6.647  -4.695
   91    HA   ASN  13           HA       ASN  13  -5.429  -5.877  -6.848
   92    HB2  ASN  13          2HB       ASN  13  -6.384  -7.708  -5.371
   93    HB3  ASN  13          1HB       ASN  13  -6.373  -6.549  -4.065
   94   HD21  ASN  13          1HD2      ASN  13  -7.136  -5.636  -7.381
   95   HD22  ASN  13          2HD2      ASN  13  -8.784  -5.266  -7.065
   96    H    ASP  14           H        ASP  14  -3.357  -4.488  -6.187
   97    HA   ASP  14           HA       ASP  14  -3.359  -2.698  -4.073
   98    HB2  ASP  14          2HB       ASP  14  -1.553  -3.023  -5.777
   99    HB3  ASP  14          1HB       ASP  14  -2.518  -2.024  -6.863
  100    H    LYS  15           H        LYS  15  -4.434  -0.979  -3.591
  101    HA   LYS  15           HA       LYS  15  -6.288   0.256  -5.504
  102    HB2  LYS  15          2HB       LYS  15  -6.685  -0.404  -2.599
  103    HB3  LYS  15          1HB       LYS  15  -7.789   0.525  -3.592
  104    HG2  LYS  15          2HG       LYS  15  -8.281  -1.406  -4.940
  105    HG3  LYS  15          1HG       LYS  15  -7.000  -2.328  -4.154
  106    HD2  LYS  15          2HD       LYS  15  -8.241  -2.078  -2.006
  107    HD3  LYS  15          1HD       LYS  15  -9.558  -1.333  -2.913
  108    HE2  LYS  15          2HE       LYS  15  -8.456  -4.094  -3.414
  109    HE3  LYS  15          1HE       LYS  15  -9.893  -3.743  -2.465
  110    HZ1  LYS  15          1HZ       LYS  15  -9.568  -3.057  -5.342
  111    HZ2  LYS  15          2HZ       LYS  15 -10.959  -2.864  -4.429
  112    HZ3  LYS  15          3HZ       LYS  15 -10.375  -4.409  -4.768
  113    H    CYS  16           H        CYS  16  -3.516   0.810  -4.404
  114    HA   CYS  16           HA       CYS  16  -3.758   2.851  -2.450
  115    HB2  CYS  16          2HB       CYS  16  -1.507   1.783  -4.074
  116    HB3  CYS  16          1HB       CYS  16  -1.324   3.170  -3.007
  117    H    CYS  17           H        CYS  17  -3.126   5.024  -2.596
  118    HA   CYS  17           HA       CYS  17  -3.948   6.377  -4.877
  119    HB2  CYS  17          2HB       CYS  17  -2.489   7.249  -2.380
  120    HB3  CYS  17          1HB       CYS  17  -3.275   8.300  -3.543
  121    H    LYS  18           H        LYS  18  -2.287   8.249  -5.364
  122    HA   LYS  18           HA       LYS  18  -0.100   7.146  -6.799
  123    HB2  LYS  18          2HB       LYS  18  -1.312   9.196  -7.476
  124    HB3  LYS  18          1HB       LYS  18  -0.659  10.013  -6.061
  125    HG2  LYS  18          2HG       LYS  18   1.570   9.625  -6.853
  126    HG3  LYS  18          1HG       LYS  18   0.906   8.804  -8.273
  127    HD2  LYS  18          2HD       LYS  18  -0.174  10.841  -8.983
  128    HD3  LYS  18          1HD       LYS  18   0.399  11.674  -7.533
  129    HE2  LYS  18          2HE       LYS  18   2.166  10.502  -9.686
  130    HE3  LYS  18          1HE       LYS  18   1.773  12.211  -9.521
  131    HZ1  LYS  18          1HZ       LYS  18   3.282  10.577  -7.520
  132    HZ2  LYS  18          2HZ       LYS  18   2.848  12.188  -7.345
  133    HZ3  LYS  18          3HZ       LYS  18   3.929  11.753  -8.539
  134    H    ASN  19           H        ASN  19   1.954   6.898  -6.356
  135    HA   ASN  19           HA       ASN  19   3.928   6.925  -5.358
  136    HB2  ASN  19          2HB       ASN  19   2.674   9.125  -3.832
  137    HB3  ASN  19          1HB       ASN  19   4.268   8.522  -3.329
  138   HD21  ASN  19          1HD2      ASN  19   5.379  10.393  -3.870
  139   HD22  ASN  19          2HD2      ASN  19   5.546  10.950  -5.499
  140    H    TYR  20           H        TYR  20   1.439   5.488  -4.307
  141    HA   TYR  20           HA       TYR  20   2.855   4.328  -2.041
  142    HB2  TYR  20          2HB       TYR  20  -0.085   4.818  -2.340
  143    HB3  TYR  20          1HB       TYR  20   0.624   3.779  -1.148
  144    HD1  TYR  20          1HD       TYR  20   1.415   4.626   0.916
  145    HD2  TYR  20          2HD       TYR  20   0.458   7.333  -2.218
  146    HE1  TYR  20          1HE       TYR  20   1.594   6.490   2.479
  147    HE2  TYR  20          2HE       TYR  20   0.639   9.205  -0.669
  148    HH   TYR  20           HH       TYR  20   1.969   8.924   2.461
  149    H    THR  21           H        THR  21   2.276   2.114  -1.729
  150    HA   THR  21           HA       THR  21   0.873   0.609  -3.719
  151    HB   THR  21           HB       THR  21   3.792   0.171  -3.336
  152    HG1  THR  21          1HG       THR  21   2.663   1.933  -4.891
  153   HG21  THR  21          1HG2      THR  21   2.609  -1.875  -3.823
  154   HG22  THR  21          2HG2      THR  21   3.614  -1.445  -5.205
  155   HG23  THR  21          3HG2      THR  21   1.874  -1.147  -5.253
  156    H    CYS  22           H        CYS  22   0.278  -1.288  -2.744
  157    HA   CYS  22           HA       CYS  22   0.952  -1.295  -0.004
  158    HB2  CYS  22          2HB       CYS  22  -0.794  -3.032   0.164
  159    HB3  CYS  22          1HB       CYS  22  -1.309  -1.391  -0.256
  160    H    SER  23           H        SER  23   1.656  -2.709   1.250
  161    HA   SER  23           HA       SER  23   3.645  -4.458   0.116
  162    HB2  SER  23          2HB       SER  23   4.319  -2.875   1.839
  163    HB3  SER  23          1HB       SER  23   3.032  -3.426   2.898
  164    HG   SER  23           HG       SER  23   5.164  -4.232   3.362
  165    H    ARG  24           H        ARG  24   3.736  -6.634   0.778
  166    HA   ARG  24           HA       ARG  24   1.216  -7.799   1.698
  167    HB2  ARG  24          2HB       ARG  24   2.121  -8.675  -0.357
  168    HB3  ARG  24          1HB       ARG  24   3.654  -8.963   0.452
  169    HG2  ARG  24          2HG       ARG  24   2.263 -11.058   0.086
  170    HG3  ARG  24          1HG       ARG  24   2.783 -10.772   1.742
  171    HD2  ARG  24          2HD       ARG  24   0.554  -9.777   2.214
  172    HD3  ARG  24          1HD       ARG  24   0.044 -10.215   0.584
  173    HE   ARG  24           HE       ARG  24   0.005 -12.421   1.183
  174   HH11  ARG  24          1HH1      ARG  24   1.312 -10.531   3.919
  175   HH12  ARG  24          2HH1      ARG  24   0.938 -11.694   5.086
  176   HH21  ARG  24          1HH2      ARG  24  -0.492 -14.048   2.847
  177   HH22  ARG  24          2HH2      ARG  24  -0.087 -13.732   4.470
  178    H    ARG  25           H        ARG  25   4.482  -7.199   2.483
  179    HA   ARG  25           HA       ARG  25   4.833  -8.996   4.617
  180    HB2  ARG  25          2HB       ARG  25   6.612  -7.722   3.423
  181    HB3  ARG  25          1HB       ARG  25   5.987  -6.257   4.156
  182    HG2  ARG  25          2HG       ARG  25   6.422  -7.252   6.357
  183    HG3  ARG  25          1HG       ARG  25   7.229  -8.588   5.505
  184    HD2  ARG  25          2HD       ARG  25   8.860  -6.917   6.241
  185    HD3  ARG  25          1HD       ARG  25   8.769  -6.997   4.478
  186    HE   ARG  25           HE       ARG  25   6.988  -5.038   5.211
  187   HH11  ARG  25          1HH1      ARG  25  10.464  -5.488   5.590
  188   HH12  ARG  25          2HH1      ARG  25  10.781  -3.821   5.678
  189   HH21  ARG  25          1HH2      ARG  25   7.377  -2.901   5.355
  190   HH22  ARG  25          2HH2      ARG  25   8.969  -2.275   5.553
  191    H    ASP  26           H        ASP  26   3.997  -5.584   4.383
  192    HA   ASP  26           HA       ASP  26   3.234  -5.457   7.163
  193    HB2  ASP  26          2HB       ASP  26   3.122  -3.294   5.070
  194    HB3  ASP  26          1HB       ASP  26   3.099  -3.145   6.804
  195    H    ARG  27           H        ARG  27   1.759  -5.850   3.996
  196    HA   ARG  27           HA       ARG  27  -0.148  -5.642   3.107
  197    HB2  ARG  27          2HB       ARG  27  -1.240  -6.383   5.801
  198    HB3  ARG  27          1HB       ARG  27  -2.034  -6.463   4.218
  199    HG2  ARG  27          2HG       ARG  27  -0.211  -8.010   3.482
  200    HG3  ARG  27          1HG       ARG  27   0.286  -8.104   5.169
  201    HD2  ARG  27          2HD       ARG  27  -1.118  -9.970   4.721
  202    HD3  ARG  27          1HD       ARG  27  -2.030  -8.833   5.718
  203    HE   ARG  27           HE       ARG  27  -2.357  -9.051   2.788
  204   HH11  ARG  27          1HH1      ARG  27  -3.778  -8.659   6.009
  205   HH12  ARG  27          2HH1      ARG  27  -5.366  -8.556   5.418
  206   HH21  ARG  27          1HH2      ARG  27  -4.537  -8.956   2.022
  207   HH22  ARG  27          2HH2      ARG  27  -5.816  -8.762   3.128
  208    H    TRP  28           H        TRP  28   0.821  -3.191   4.598
  209    HA   TRP  28           HA       TRP  28  -1.702  -1.780   4.249
  210    HB2  TRP  28          2HB       TRP  28  -0.694   0.137   5.414
  211    HB3  TRP  28          1HB       TRP  28  -0.762  -1.289   6.419
  212    HD1  TRP  28           HD       TRP  28   2.226  -0.792   4.032
  213    HE1  TRP  28          1HE       TRP  28   4.341  -0.320   5.504
  214    HE3  TRP  28          3HE       TRP  28  -0.039  -0.338   8.508
  215    HZ2  TRP  28          2HZ       TRP  28   4.899   0.206   8.213
  216    HZ3  TRP  28          3HZ       TRP  28   1.325   0.166  10.529
  217    HH2  TRP  28           HH       TRP  28   3.741   0.427  10.362
  218    H    CYS  29           H        CYS  29  -1.232   0.507   3.375
  219    HA   CYS  29           HA       CYS  29   0.027   0.067   0.811
  220    HB2  CYS  29          2HB       CYS  29  -2.242   0.991   1.007
  221    HB3  CYS  29          1HB       CYS  29  -1.585   2.353   1.903
  222    H    LYS  30           H        LYS  30   2.142   0.300   0.905
  223    HA   LYS  30           HA       LYS  30   3.342   2.017   2.884
  224    HB2  LYS  30          2HB       LYS  30   3.889  -0.406   2.471
  225    HB3  LYS  30          1HB       LYS  30   4.503   0.066   0.905
  226    HG2  LYS  30          2HG       LYS  30   6.207   1.407   1.975
  227    HG3  LYS  30          1HG       LYS  30   5.550   0.950   3.560
  228    HD2  LYS  30          2HD       LYS  30   5.977  -1.398   3.101
  229    HD3  LYS  30          1HD       LYS  30   6.584  -1.004   1.498
  230    HE2  LYS  30          2HE       LYS  30   7.807  -0.215   4.138
  231    HE3  LYS  30          1HE       LYS  30   8.397  -1.447   3.038
  232    HZ1  LYS  30          1HZ       LYS  30   8.302   1.475   2.495
  233    HZ2  LYS  30          2HZ       LYS  30   8.765   0.305   1.375
  234    HZ3  LYS  30          3HZ       LYS  30   9.660   0.529   2.779
  235    H    TYR  31           H        TYR  31   4.731   3.742   2.247
  236    HA   TYR  31           HA       TYR  31   4.099   5.079  -0.141
  237    HB2  TYR  31          2HB       TYR  31   5.044   6.211   1.886
  238    HB3  TYR  31          1HB       TYR  31   6.587   5.425   1.513
  239    HD1  TYR  31          1HD       TYR  31   8.096   6.385  -0.013
  240    HD2  TYR  31          2HD       TYR  31   4.115   7.854   0.185
  241    HE1  TYR  31          1HE       TYR  31   8.711   8.215  -1.521
  242    HE2  TYR  31          2HE       TYR  31   4.711   9.697  -1.321
  243    HH   TYR  31           HH       TYR  31   7.653   9.724  -3.082
  244    H    TYR  32           H        TYR  32   4.924   4.982  -2.088
  245    HA   TYR  32           HA       TYR  32   6.866   2.900  -2.600
  246    HB2  TYR  32          2HB       TYR  32   4.707   2.934  -3.785
  247    HB3  TYR  32          1HB       TYR  32   5.143   4.482  -4.504
  248    HD1  TYR  32          1HD       TYR  32   5.904   0.939  -4.334
  249    HD2  TYR  32          2HD       TYR  32   6.647   4.565  -6.346
  250    HE1  TYR  32          1HE       TYR  32   6.973  -0.323  -6.146
  251    HE2  TYR  32          2HE       TYR  32   7.731   3.341  -8.193
  252    HH   TYR  32           HH       TYR  32   7.439   0.015  -8.571
  253    H    LEU  33           H        LEU  33   8.831   3.396  -3.094
  254    HA   LEU  33           HA       LEU  33   9.628   6.174  -3.219
  255    HB2  LEU  33          2HB       LEU  33  11.269   3.644  -3.324
  256    HB3  LEU  33          1HB       LEU  33  11.909   5.272  -3.247
  257    HG   LEU  33           HG       LEU  33  10.268   3.962  -1.084
  258   HD11  LEU  33          1HD1      LEU  33  12.449   2.923  -1.327
  259   HD12  LEU  33          2HD1      LEU  33  12.377   3.902   0.140
  260   HD13  LEU  33          3HD1      LEU  33  13.222   4.508  -1.281
  261   HD21  LEU  33          1HD2      LEU  33  10.018   6.394  -1.121
  262   HD22  LEU  33          2HD2      LEU  33  11.771   6.580  -1.135
  263   HD23  LEU  33          3HD2      LEU  33  10.972   5.881   0.269
  264    HN1  NH2  34          1H        LEU  33   8.730   6.742  -5.164
  265    HN2  NH2  34          2H        LEU  33   9.355   6.223  -6.696
  Start of MODEL    5
    1    H1   ASP   1          1HT       ASP   1 -13.135   5.348  -4.342
    2    H2   ASP   1          2HT       ASP   1 -12.297   4.664  -3.031
    3    H3   ASP   1          3HT       ASP   1 -12.086   4.037  -4.561
    4    HA   ASP   1           HA       ASP   1 -10.996   5.992  -5.307
    5    HB2  ASP   1          2HB       ASP   1 -11.454   6.891  -2.454
    6    HB3  ASP   1          1HB       ASP   1 -10.253   7.632  -3.493
    7    H    CYS   2           H        CYS   2  -8.724   6.703  -4.029
    8    HA   CYS   2           HA       CYS   2  -7.447   4.177  -3.839
    9    HB2  CYS   2          2HB       CYS   2  -5.441   5.490  -3.440
   10    HB3  CYS   2          1HB       CYS   2  -6.256   5.911  -4.924
   11    H    LEU   3           H        LEU   3  -5.772   3.982  -2.155
   12    HA   LEU   3           HA       LEU   3  -6.955   4.425   0.487
   13    HB2  LEU   3          2HB       LEU   3  -5.276   2.106  -0.483
   14    HB3  LEU   3          1HB       LEU   3  -5.852   2.328   1.154
   15    HG   LEU   3           HG       LEU   3  -7.592   1.850  -1.261
   16   HD11  LEU   3          1HD1      LEU   3  -6.310  -0.109  -0.636
   17   HD12  LEU   3          2HD1      LEU   3  -8.014  -0.329  -0.235
   18   HD13  LEU   3          3HD1      LEU   3  -6.850   0.047   1.037
   19   HD21  LEU   3          1HD2      LEU   3  -9.400   1.577   0.384
   20   HD22  LEU   3          2HD2      LEU   3  -8.736   3.208   0.397
   21   HD23  LEU   3          3HD2      LEU   3  -8.292   2.066   1.667
   22    H    GLY   4           H        GLY   4  -5.502   5.042   2.118
   23    HA2  GLY   4          2HA       GLY   4  -3.086   6.068   1.030
   24    HA3  GLY   4          1HA       GLY   4  -3.850   6.578   2.548
   25    H    TRP   5           H        TRP   5  -1.828   6.268   3.477
   26    HA   TRP   5           HA       TRP   5  -0.119   4.171   3.124
   27    HB2  TRP   5          2HB       TRP   5   0.389   6.439   4.116
   28    HB3  TRP   5          1HB       TRP   5  -0.250   5.810   5.624
   29    HD1  TRP   5           HD       TRP   5   1.208   3.000   5.713
   30    HE1  TRP   5          1HE       TRP   5   3.757   2.874   6.091
   31    HE3  TRP   5          3HE       TRP   5   2.454   7.721   4.236
   32    HZ2  TRP   5          2HZ       TRP   5   6.000   4.582   5.809
   33    HZ3  TRP   5          3HZ       TRP   5   4.818   8.406   4.328
   34    HH2  TRP   5           HH       TRP   5   6.552   6.862   5.103
   35    H    PHE   6           H        PHE   6  -2.075   4.678   5.865
   36    HA   PHE   6           HA       PHE   6  -1.384   2.002   6.869
   37    HB2  PHE   6          2HB       PHE   6  -2.990   4.217   8.107
   38    HB3  PHE   6          1HB       PHE   6  -2.504   2.732   8.954
   39    HD1  PHE   6          1HD       PHE   6  -1.717   6.080   8.079
   40    HD2  PHE   6          2HD       PHE   6  -0.001   2.368   9.214
   41    HE1  PHE   6          1HE       PHE   6   0.325   7.231   8.755
   42    HE2  PHE   6          2HE       PHE   6   2.044   3.516   9.895
   43    HZ   PHE   6           HZ       PHE   6   2.207   5.953   9.669
   44    H    LYS   7           H        LYS   7  -3.228   2.509   4.609
   45    HA   LYS   7           HA       LYS   7  -5.530   1.104   5.715
   46    HB2  LYS   7          2HB       LYS   7  -5.052   2.067   2.939
   47    HB3  LYS   7          1HB       LYS   7  -6.528   1.354   3.524
   48    HG2  LYS   7          2HG       LYS   7  -5.419   4.002   4.468
   49    HG3  LYS   7          1HG       LYS   7  -6.781   3.788   3.367
   50    HD2  LYS   7          2HD       LYS   7  -8.018   2.610   5.129
   51    HD3  LYS   7          1HD       LYS   7  -6.653   2.818   6.225
   52    HE2  LYS   7          2HE       LYS   7  -6.887   5.233   6.069
   53    HE3  LYS   7          1HE       LYS   7  -8.254   5.042   4.970
   54    HZ1  LYS   7          1HZ       LYS   7  -8.136   4.155   7.805
   55    HZ2  LYS   7          2HZ       LYS   7  -9.409   3.864   6.764
   56    HZ3  LYS   7          3HZ       LYS   7  -9.033   5.450   7.195
   57    H    SER   8           H        SER   8  -5.909  -0.937   5.157
   58    HA   SER   8           HA       SER   8  -3.606  -2.376   4.346
   59    HB2  SER   8          2HB       SER   8  -6.207  -3.454   5.139
   60    HB3  SER   8          1HB       SER   8  -4.586  -4.054   5.417
   61    HG   SER   8           HG       SER   8  -4.475  -3.039   7.231
   62    H    CYS   9           H        CYS   9  -3.518  -3.211   2.417
   63    HA   CYS   9           HA       CYS   9  -5.883  -4.117   1.177
   64    HB2  CYS   9          2HB       CYS   9  -4.973  -3.320  -1.030
   65    HB3  CYS   9          1HB       CYS   9  -5.887  -2.150  -0.068
   66    H    ASP  10           H        ASP  10  -5.156  -5.214  -0.967
   67    HA   ASP  10           HA       ASP  10  -2.968  -6.974  -0.163
   68    HB2  ASP  10          2HB       ASP  10  -5.210  -8.101  -0.392
   69    HB3  ASP  10          1HB       ASP  10  -5.271  -7.565  -2.065
   70    HA   PRO  11           HA       PRO  11  -0.933  -4.867  -3.590
   71    HB2  PRO  11          2HB       PRO  11   0.776  -7.114  -3.934
   72    HB3  PRO  11          1HB       PRO  11   1.160  -5.591  -3.131
   73    HG2  PRO  11          2HG       PRO  11   0.278  -8.169  -1.985
   74    HG3  PRO  11          1HG       PRO  11   1.302  -6.897  -1.265
   75    HD2  PRO  11          2HD       PRO  11  -1.152  -7.355  -0.465
   76    HD3  PRO  11          1HD       PRO  11  -0.526  -5.707  -0.552
   77    H    LYS  12           H        LYS  12  -2.165  -8.178  -3.643
   78    HA   LYS  12           HA       LYS  12  -1.987  -8.420  -6.496
   79    HB2  LYS  12          2HB       LYS  12  -3.505 -10.068  -4.476
   80    HB3  LYS  12          1HB       LYS  12  -3.452 -10.437  -6.192
   81    HG2  LYS  12          2HG       LYS  12  -1.025 -10.727  -6.051
   82    HG3  LYS  12          1HG       LYS  12  -1.087 -10.358  -4.325
   83    HD2  LYS  12          2HD       LYS  12  -2.510 -12.280  -3.940
   84    HD3  LYS  12          1HD       LYS  12  -2.535 -12.644  -5.664
   85    HE2  LYS  12          2HE       LYS  12  -0.075 -12.633  -3.912
   86    HE3  LYS  12          1HE       LYS  12  -0.967 -14.075  -4.386
   87    HZ1  LYS  12          1HZ       LYS  12   0.954 -13.752  -5.772
   88    HZ2  LYS  12          2HZ       LYS  12   0.460 -12.218  -6.214
   89    HZ3  LYS  12          3HZ       LYS  12  -0.430 -13.572  -6.706
   90    H    ASN  13           H        ASN  13  -4.053  -6.780  -4.495
   91    HA   ASN  13           HA       ASN  13  -5.936  -6.261  -6.689
   92    HB2  ASN  13          2HB       ASN  13  -6.766  -7.995  -4.909
   93    HB3  ASN  13          1HB       ASN  13  -6.846  -6.622  -3.823
   94   HD21  ASN  13          1HD2      ASN  13  -8.249  -8.142  -6.559
   95   HD22  ASN  13          2HD2      ASN  13  -9.659  -7.154  -6.668
   96    H    ASP  14           H        ASP  14  -3.777  -4.906  -6.032
   97    HA   ASP  14           HA       ASP  14  -3.761  -3.147  -3.858
   98    HB2  ASP  14          2HB       ASP  14  -1.777  -3.635  -5.166
   99    HB3  ASP  14          1HB       ASP  14  -2.466  -2.747  -6.530
  100    H    LYS  15           H        LYS  15  -4.758  -1.505  -3.400
  101    HA   LYS  15           HA       LYS  15  -6.131   0.076  -5.456
  102    HB2  LYS  15          2HB       LYS  15  -7.027  -0.829  -2.763
  103    HB3  LYS  15          1HB       LYS  15  -7.758   0.562  -3.547
  104    HG2  LYS  15          2HG       LYS  15  -8.400  -0.852  -5.455
  105    HG3  LYS  15          1HG       LYS  15  -7.632  -2.236  -4.683
  106    HD2  LYS  15          2HD       LYS  15  -9.893  -0.684  -3.439
  107    HD3  LYS  15          1HD       LYS  15 -10.134  -2.099  -4.462
  108    HE2  LYS  15          2HE       LYS  15  -8.515  -2.061  -1.915
  109    HE3  LYS  15          1HE       LYS  15 -10.174  -2.633  -2.046
  110    HZ1  LYS  15          1HZ       LYS  15  -7.800  -3.827  -3.412
  111    HZ2  LYS  15          2HZ       LYS  15  -9.372  -4.301  -3.676
  112    HZ3  LYS  15          3HZ       LYS  15  -8.708  -4.498  -2.162
  113    H    CYS  16           H        CYS  16  -3.500   0.421  -4.313
  114    HA   CYS  16           HA       CYS  16  -3.522   2.423  -2.341
  115    HB2  CYS  16          2HB       CYS  16  -1.490   1.205  -4.085
  116    HB3  CYS  16          1HB       CYS  16  -1.111   2.735  -3.288
  117    H    CYS  17           H        CYS  17  -2.663   4.541  -2.507
  118    HA   CYS  17           HA       CYS  17  -3.811   5.899  -4.781
  119    HB2  CYS  17          2HB       CYS  17  -3.971   6.486  -2.180
  120    HB3  CYS  17          1HB       CYS  17  -2.498   7.363  -2.555
  121    H    LYS  18           H        LYS  18  -2.229   8.148  -4.652
  122    HA   LYS  18           HA       LYS  18  -0.274   7.429  -6.528
  123    HB2  LYS  18          2HB       LYS  18  -1.477   9.506  -6.683
  124    HB3  LYS  18          1HB       LYS  18  -0.885  10.009  -5.108
  125    HG2  LYS  18          2HG       LYS  18   0.311  11.151  -6.817
  126    HG3  LYS  18          1HG       LYS  18   1.357  10.003  -5.960
  127    HD2  LYS  18          2HD       LYS  18   1.109   8.393  -7.785
  128    HD3  LYS  18          1HD       LYS  18   0.061   9.517  -8.645
  129    HE2  LYS  18          2HE       LYS  18   2.928  10.068  -7.901
  130    HE3  LYS  18          1HE       LYS  18   2.411   9.471  -9.472
  131    HZ1  LYS  18          1HZ       LYS  18   1.598  12.047  -8.252
  132    HZ2  LYS  18          2HZ       LYS  18   1.153  11.489  -9.793
  133    HZ3  LYS  18          3HZ       LYS  18   2.785  11.825  -9.429
  134    H    ASN  19           H        ASN  19   1.788   6.940  -6.259
  135    HA   ASN  19           HA       ASN  19   3.873   6.707  -5.465
  136    HB2  ASN  19          2HB       ASN  19   3.360   9.188  -4.853
  137    HB3  ASN  19          1HB       ASN  19   3.326   8.596  -3.201
  138   HD21  ASN  19          1HD2      ASN  19   5.227   7.726  -2.341
  139   HD22  ASN  19          2HD2      ASN  19   6.792   8.100  -2.967
  140    H    TYR  20           H        TYR  20   1.457   5.357  -4.377
  141    HA   TYR  20           HA       TYR  20   2.753   4.144  -2.040
  142    HB2  TYR  20          2HB       TYR  20  -0.151   4.568  -2.569
  143    HB3  TYR  20          1HB       TYR  20   0.460   3.461  -1.383
  144    HD1  TYR  20          1HD       TYR  20   1.869   4.385   0.523
  145    HD2  TYR  20          2HD       TYR  20  -0.462   6.847  -2.021
  146    HE1  TYR  20          1HE       TYR  20   1.880   6.130   2.224
  147    HE2  TYR  20          2HE       TYR  20  -0.463   8.607  -0.335
  148    HH   TYR  20           HH       TYR  20  -0.194   8.737   2.183
  149    H    THR  21           H        THR  21   2.212   1.950  -1.700
  150    HA   THR  21           HA       THR  21   1.042   0.255  -3.748
  151    HB   THR  21           HB       THR  21   3.833  -0.032  -2.907
  152    HG1  THR  21          1HG       THR  21   2.952   1.642  -4.733
  153   HG21  THR  21          1HG2      THR  21   4.061  -1.683  -4.773
  154   HG22  THR  21          2HG2      THR  21   2.337  -1.471  -5.067
  155   HG23  THR  21          3HG2      THR  21   2.895  -2.127  -3.525
  156    H    CYS  22           H        CYS  22   0.137  -1.394  -2.497
  157    HA   CYS  22           HA       CYS  22   1.078  -1.482   0.110
  158    HB2  CYS  22          2HB       CYS  22  -0.723  -3.393   0.302
  159    HB3  CYS  22          1HB       CYS  22  -1.050  -1.672   0.530
  160    H    SER  23           H        SER  23   1.827  -2.823   1.315
  161    HA   SER  23           HA       SER  23   3.716  -4.645   0.077
  162    HB2  SER  23          2HB       SER  23   4.517  -2.930   1.635
  163    HB3  SER  23          1HB       SER  23   3.347  -3.433   2.835
  164    HG   SER  23           HG       SER  23   5.359  -4.205   3.343
  165    H    ARG  24           H        ARG  24   3.808  -6.925   0.846
  166    HA   ARG  24           HA       ARG  24   1.338  -7.835   1.920
  167    HB2  ARG  24          2HB       ARG  24   3.692  -9.102   0.690
  168    HB3  ARG  24          1HB       ARG  24   2.695  -9.966   1.871
  169    HG2  ARG  24          2HG       ARG  24   1.635  -8.733  -0.660
  170    HG3  ARG  24          1HG       ARG  24   2.065 -10.433  -0.509
  171    HD2  ARG  24          2HD       ARG  24   0.437 -10.670   1.337
  172    HD3  ARG  24          1HD       ARG  24  -0.048  -9.001   1.139
  173    HE   ARG  24           HE       ARG  24  -1.192  -9.576  -0.835
  174   HH11  ARG  24          1HH1      ARG  24   0.569 -12.412   0.378
  175   HH12  ARG  24          2HH1      ARG  24  -0.473 -13.507  -0.403
  176   HH21  ARG  24          1HH2      ARG  24  -2.600 -11.041  -1.786
  177   HH22  ARG  24          2HH2      ARG  24  -2.362 -12.730  -1.648
  178    H    ARG  25           H        ARG  25   4.614  -7.271   2.762
  179    HA   ARG  25           HA       ARG  25   4.884  -8.788   5.095
  180    HB2  ARG  25          2HB       ARG  25   6.677  -7.643   3.809
  181    HB3  ARG  25          1HB       ARG  25   6.060  -6.106   4.387
  182    HG2  ARG  25          2HG       ARG  25   6.482  -6.896   6.679
  183    HG3  ARG  25          1HG       ARG  25   7.304  -8.299   5.960
  184    HD2  ARG  25          2HD       ARG  25   8.937  -6.565   6.539
  185    HD3  ARG  25          1HD       ARG  25   8.842  -6.773   4.790
  186    HE   ARG  25           HE       ARG  25   7.043  -4.763   5.507
  187   HH11  ARG  25          1HH1      ARG  25  10.558  -5.186   5.353
  188   HH12  ARG  25          2HH1      ARG  25  10.859  -3.515   5.257
  189   HH21  ARG  25          1HH2      ARG  25   7.449  -2.601   5.451
  190   HH22  ARG  25          2HH2      ARG  25   9.071  -1.988   5.350
  191    H    ASP  26           H        ASP  26   4.042  -5.420   4.550
  192    HA   ASP  26           HA       ASP  26   3.291  -4.954   7.305
  193    HB2  ASP  26          2HB       ASP  26   3.083  -3.055   4.969
  194    HB3  ASP  26          1HB       ASP  26   3.120  -2.721   6.667
  195    H    ARG  27           H        ARG  27   1.764  -5.811   4.286
  196    HA   ARG  27           HA       ARG  27  -0.135  -5.571   3.323
  197    HB2  ARG  27          2HB       ARG  27  -1.244  -6.139   6.075
  198    HB3  ARG  27          1HB       ARG  27  -2.057  -6.153   4.495
  199    HG2  ARG  27          2HG       ARG  27   0.269  -7.891   5.047
  200    HG3  ARG  27          1HG       ARG  27  -1.398  -8.399   5.358
  201    HD2  ARG  27          2HD       ARG  27  -0.187  -7.509   2.773
  202    HD3  ARG  27          1HD       ARG  27  -0.659  -9.174   3.170
  203    HE   ARG  27           HE       ARG  27  -2.261  -6.903   2.387
  204   HH11  ARG  27          1HH1      ARG  27  -2.246 -10.365   3.351
  205   HH12  ARG  27          2HH1      ARG  27  -3.874 -10.594   2.943
  206   HH21  ARG  27          1HH2      ARG  27  -4.601  -7.318   1.894
  207   HH22  ARG  27          2HH2      ARG  27  -5.196  -8.885   2.130
  208    H    TRP  28           H        TRP  28   0.868  -3.005   4.681
  209    HA   TRP  28           HA       TRP  28  -1.666  -1.646   4.256
  210    HB2  TRP  28          2HB       TRP  28  -0.753   0.305   5.369
  211    HB3  TRP  28          1HB       TRP  28  -0.733  -1.089   6.421
  212    HD1  TRP  28           HD       TRP  28   2.195  -0.489   3.988
  213    HE1  TRP  28          1HE       TRP  28   4.285   0.150   5.434
  214    HE3  TRP  28          3HE       TRP  28  -0.058  -0.048   8.424
  215    HZ2  TRP  28          2HZ       TRP  28   4.834   0.770   8.115
  216    HZ3  TRP  28          3HZ       TRP  28   1.280   0.591  10.442
  217    HH2  TRP  28           HH       TRP  28   3.678   0.987  10.258
  218    H    CYS  29           H        CYS  29  -1.305   0.529   3.330
  219    HA   CYS  29           HA       CYS  29  -0.123   0.077   0.764
  220    HB2  CYS  29          2HB       CYS  29  -2.391   1.019   1.120
  221    HB3  CYS  29          1HB       CYS  29  -1.657   2.400   1.919
  222    H    LYS  30           H        LYS  30   2.025   0.192   0.956
  223    HA   LYS  30           HA       LYS  30   3.251   1.958   2.825
  224    HB2  LYS  30          2HB       LYS  30   3.862  -0.428   2.512
  225    HB3  LYS  30          1HB       LYS  30   4.398  -0.046   0.890
  226    HG2  LYS  30          2HG       LYS  30   6.156   1.298   1.716
  227    HG3  LYS  30          1HG       LYS  30   5.533   1.163   3.373
  228    HD2  LYS  30          2HD       LYS  30   5.916  -1.263   3.306
  229    HD3  LYS  30          1HD       LYS  30   6.563  -1.112   1.674
  230    HE2  LYS  30          2HE       LYS  30   7.723   0.227   4.115
  231    HE3  LYS  30          1HE       LYS  30   8.293  -1.293   3.437
  232    HZ1  LYS  30          1HZ       LYS  30   9.614   0.619   2.710
  233    HZ2  LYS  30          2HZ       LYS  30   8.261   1.278   1.938
  234    HZ3  LYS  30          3HZ       LYS  30   8.883  -0.186   1.435
  235    H    TYR  31           H        TYR  31   4.482   3.665   2.314
  236    HA   TYR  31           HA       TYR  31   4.054   5.118  -0.066
  237    HB2  TYR  31          2HB       TYR  31   4.743   5.949   2.260
  238    HB3  TYR  31          1HB       TYR  31   6.354   5.379   1.848
  239    HD1  TYR  31          1HD       TYR  31   7.815   6.709   0.503
  240    HD2  TYR  31          2HD       TYR  31   3.736   7.832   0.970
  241    HE1  TYR  31          1HE       TYR  31   8.311   8.903  -0.459
  242    HE2  TYR  31          2HE       TYR  31   4.220  10.023  -0.003
  243    HH   TYR  31           HH       TYR  31   6.139  11.510  -0.301
  244    H    TYR  32           H        TYR  32   4.916   4.594  -1.987
  245    HA   TYR  32           HA       TYR  32   7.156   2.761  -1.986
  246    HB2  TYR  32          2HB       TYR  32   5.146   2.100  -3.178
  247    HB3  TYR  32          1HB       TYR  32   5.285   3.523  -4.209
  248    HD1  TYR  32          1HD       TYR  32   7.125   0.484  -3.173
  249    HD2  TYR  32          2HD       TYR  32   6.463   3.367  -6.191
  250    HE1  TYR  32          1HE       TYR  32   8.537  -0.821  -4.707
  251    HE2  TYR  32          2HE       TYR  32   7.854   2.117  -7.742
  252    HH   TYR  32           HH       TYR  32   8.839  -1.092  -7.100
  253    H    LEU  33           H        LEU  33   9.066   3.377  -2.425
  254    HA   LEU  33           HA       LEU  33   9.655   6.020  -3.354
  255    HB2  LEU  33          2HB       LEU  33  11.129   4.854  -1.749
  256    HB3  LEU  33          1HB       LEU  33  11.458   3.619  -2.942
  257    HG   LEU  33           HG       LEU  33  12.584   5.336  -4.350
  258   HD11  LEU  33          1HD1      LEU  33  13.197   7.465  -3.353
  259   HD12  LEU  33          2HD1      LEU  33  12.234   7.076  -1.929
  260   HD13  LEU  33          3HD1      LEU  33  11.442   7.314  -3.487
  261   HD21  LEU  33          1HD2      LEU  33  14.596   5.476  -2.986
  262   HD22  LEU  33          2HD2      LEU  33  13.857   3.878  -2.857
  263   HD23  LEU  33          3HD2      LEU  33  13.663   5.048  -1.554
  264    HN1  NH2  34          1H        LEU  33  10.927   3.005  -4.633
  265    HN2  NH2  34          2H        LEU  33  10.609   3.347  -6.297
  Start of MODEL    6
    1    H1   ASP   1          1HT       ASP   1 -10.587   6.124  -6.863
    2    H2   ASP   1          2HT       ASP   1 -12.228   6.361  -6.494
    3    H3   ASP   1          3HT       ASP   1 -11.518   4.825  -6.379
    4    HA   ASP   1           HA       ASP   1 -10.667   7.117  -4.772
    5    HB2  ASP   1          2HB       ASP   1 -12.925   6.441  -4.140
    6    HB3  ASP   1          1HB       ASP   1 -12.427   4.749  -4.033
    7    H    CYS   2           H        CYS   2  -9.344   6.224  -2.926
    8    HA   CYS   2           HA       CYS   2  -7.864   3.834  -3.686
    9    HB2  CYS   2          2HB       CYS   2  -5.708   5.094  -3.438
   10    HB3  CYS   2          1HB       CYS   2  -6.614   5.559  -4.847
   11    H    LEU   3           H        LEU   3  -5.822   4.036  -1.983
   12    HA   LEU   3           HA       LEU   3  -7.071   4.091   0.664
   13    HB2  LEU   3          2HB       LEU   3  -4.825   2.431  -0.433
   14    HB3  LEU   3          1HB       LEU   3  -5.330   2.411   1.246
   15    HG   LEU   3           HG       LEU   3  -6.979   1.485  -1.116
   16   HD11  LEU   3          1HD1      LEU   3  -5.151  -0.017  -0.586
   17   HD12  LEU   3          2HD1      LEU   3  -6.704  -0.729  -0.147
   18   HD13  LEU   3          3HD1      LEU   3  -5.660  -0.054   1.103
   19   HD21  LEU   3          1HD2      LEU   3  -7.602   1.425   1.839
   20   HD22  LEU   3          2HD2      LEU   3  -8.566   0.669   0.571
   21   HD23  LEU   3          3HD2      LEU   3  -8.407   2.423   0.628
   22    H    GLY   4           H        GLY   4  -5.456   4.613   2.368
   23    HA2  GLY   4          2HA       GLY   4  -3.732   6.641   1.275
   24    HA3  GLY   4          1HA       GLY   4  -4.334   6.632   2.939
   25    H    TRP   5           H        TRP   5  -3.297   5.022   4.458
   26    HA   TRP   5           HA       TRP   5  -0.777   4.166   3.492
   27    HB2  TRP   5          2HB       TRP   5  -0.795   6.351   4.702
   28    HB3  TRP   5          1HB       TRP   5  -1.270   5.470   6.120
   29    HD1  TRP   5           HD       TRP   5   0.812   3.010   5.921
   30    HE1  TRP   5          1HE       TRP   5   3.289   3.427   6.438
   31    HE3  TRP   5          3HE       TRP   5   0.952   8.049   5.115
   32    HZ2  TRP   5          2HZ       TRP   5   5.079   5.622   6.500
   33    HZ3  TRP   5          3HZ       TRP   5   3.093   9.232   5.427
   34    HH2  TRP   5           HH       TRP   5   5.105   8.037   6.103
   35    H    PHE   6           H        PHE   6  -2.166   4.050   6.611
   36    HA   PHE   6           HA       PHE   6  -1.274   1.310   6.974
   37    HB2  PHE   6          2HB       PHE   6  -2.876   3.045   8.878
   38    HB3  PHE   6          1HB       PHE   6  -2.064   1.535   9.278
   39    HD1  PHE   6          1HD       PHE   6   0.478   1.497   8.938
   40    HD2  PHE   6          2HD       PHE   6  -1.843   5.045   9.168
   41    HE1  PHE   6          1HE       PHE   6   2.473   2.753   9.566
   42    HE2  PHE   6          2HE       PHE   6   0.161   6.309   9.795
   43    HZ   PHE   6           HZ       PHE   6   2.316   5.165   9.991
   44    H    LYS   7           H        LYS   7  -3.444   1.840   5.093
   45    HA   LYS   7           HA       LYS   7  -5.659   0.323   6.258
   46    HB2  LYS   7          2HB       LYS   7  -5.325   1.353   3.461
   47    HB3  LYS   7          1HB       LYS   7  -6.744   0.609   4.116
   48    HG2  LYS   7          2HG       LYS   7  -5.641   3.271   5.003
   49    HG3  LYS   7          1HG       LYS   7  -7.071   3.011   4.001
   50    HD2  LYS   7          2HD       LYS   7  -8.006   1.646   5.913
   51    HD3  LYS   7          1HD       LYS   7  -6.669   2.252   6.885
   52    HE2  LYS   7          2HE       LYS   7  -8.767   3.932   5.518
   53    HE3  LYS   7          1HE       LYS   7  -8.716   3.551   7.232
   54    HZ1  LYS   7          1HZ       LYS   7  -6.661   4.785   7.411
   55    HZ2  LYS   7          2HZ       LYS   7  -7.873   5.745   6.790
   56    HZ3  LYS   7          3HZ       LYS   7  -6.684   5.161   5.761
   57    H    SER   8           H        SER   8  -6.187  -1.734   5.518
   58    HA   SER   8           HA       SER   8  -4.048  -3.358   4.795
   59    HB2  SER   8          2HB       SER   8  -6.937  -4.020   4.706
   60    HB3  SER   8          1HB       SER   8  -5.559  -5.009   5.159
   61    HG   SER   8           HG       SER   8  -5.227  -3.732   6.959
   62    H    CYS   9           H        CYS   9  -3.625  -4.102   2.864
   63    HA   CYS   9           HA       CYS   9  -5.524  -3.819   0.690
   64    HB2  CYS   9          2HB       CYS   9  -4.308  -1.830   0.614
   65    HB3  CYS   9          1HB       CYS   9  -2.772  -2.724   0.675
   66    H    ASP  10           H        ASP  10  -4.634  -4.789  -1.202
   67    HA   ASP  10           HA       ASP  10  -3.258  -7.303  -0.495
   68    HB2  ASP  10          2HB       ASP  10  -5.701  -7.591  -1.005
   69    HB3  ASP  10          1HB       ASP  10  -5.382  -6.967  -2.620
   70    HA   PRO  11           HA       PRO  11  -0.279  -5.635  -3.359
   71    HB2  PRO  11          2HB       PRO  11   0.884  -8.082  -3.899
   72    HB3  PRO  11          1HB       PRO  11   1.405  -6.978  -2.599
   73    HG2  PRO  11          2HG       PRO  11  -0.279  -9.428  -2.528
   74    HG3  PRO  11          1HG       PRO  11   0.815  -8.780  -1.293
   75    HD2  PRO  11          2HD       PRO  11  -1.852  -8.611  -1.094
   76    HD3  PRO  11          1HD       PRO  11  -0.784  -7.336  -0.467
   77    H    LYS  12           H        LYS  12  -2.363  -8.251  -4.132
   78    HA   LYS  12           HA       LYS  12  -1.603  -8.294  -6.953
   79    HB2  LYS  12          2HB       LYS  12  -3.902  -9.755  -5.676
   80    HB3  LYS  12          1HB       LYS  12  -3.089 -10.153  -7.180
   81    HG2  LYS  12          2HG       LYS  12  -1.080 -10.747  -5.901
   82    HG3  LYS  12          1HG       LYS  12  -1.947 -10.412  -4.403
   83    HD2  LYS  12          2HD       LYS  12  -2.557 -12.558  -6.444
   84    HD3  LYS  12          1HD       LYS  12  -1.980 -12.790  -4.797
   85    HE2  LYS  12          2HE       LYS  12  -4.672 -11.701  -5.631
   86    HE3  LYS  12          1HE       LYS  12  -4.361 -13.291  -4.954
   87    HZ1  LYS  12          1HZ       LYS  12  -5.243 -11.794  -3.317
   88    HZ2  LYS  12          2HZ       LYS  12  -4.045 -10.677  -3.533
   89    HZ3  LYS  12          3HZ       LYS  12  -3.681 -12.191  -2.871
   90    H    ASN  13           H        ASN  13  -3.685  -6.722  -4.898
   91    HA   ASN  13           HA       ASN  13  -5.375  -5.786  -7.112
   92    HB2  ASN  13          2HB       ASN  13  -6.445  -7.637  -5.701
   93    HB3  ASN  13          1HB       ASN  13  -6.453  -6.495  -4.376
   94   HD21  ASN  13          1HD2      ASN  13  -7.867  -7.268  -7.463
   95   HD22  ASN  13          2HD2      ASN  13  -9.190  -6.185  -7.374
   96    H    ASP  14           H        ASP  14  -3.259  -4.502  -6.320
   97    HA   ASP  14           HA       ASP  14  -3.299  -2.797  -4.120
   98    HB2  ASP  14          2HB       ASP  14  -1.382  -3.057  -5.651
   99    HB3  ASP  14          1HB       ASP  14  -2.271  -2.095  -6.843
  100    H    LYS  15           H        LYS  15  -4.433  -1.200  -3.576
  101    HA   LYS  15           HA       LYS  15  -6.166   0.187  -5.499
  102    HB2  LYS  15          2HB       LYS  15  -6.675  -0.728  -2.693
  103    HB3  LYS  15          1HB       LYS  15  -7.662   0.488  -3.481
  104    HG2  LYS  15          2HG       LYS  15  -8.217  -1.164  -5.246
  105    HG3  LYS  15          1HG       LYS  15  -7.258  -2.368  -4.389
  106    HD2  LYS  15          2HD       LYS  15  -9.624  -2.672  -3.911
  107    HD3  LYS  15          1HD       LYS  15  -8.776  -2.160  -2.455
  108    HE2  LYS  15          2HE       LYS  15 -10.924  -1.007  -2.706
  109    HE3  LYS  15          1HE       LYS  15  -9.581   0.125  -2.766
  110    HZ1  LYS  15          1HZ       LYS  15 -11.224   0.616  -4.439
  111    HZ2  LYS  15          2HZ       LYS  15 -11.110  -0.905  -5.112
  112    HZ3  LYS  15          3HZ       LYS  15  -9.802   0.161  -5.205
  113    H    CYS  16           H        CYS  16  -3.475   0.871  -4.564
  114    HA   CYS  16           HA       CYS  16  -3.898   3.025  -2.694
  115    HB2  CYS  16          2HB       CYS  16  -1.481   1.861  -3.994
  116    HB3  CYS  16          1HB       CYS  16  -1.418   3.302  -2.981
  117    H    CYS  17           H        CYS  17  -3.106   5.161  -3.070
  118    HA   CYS  17           HA       CYS  17  -3.627   6.102  -5.738
  119    HB2  CYS  17          2HB       CYS  17  -3.592   7.265  -3.039
  120    HB3  CYS  17          1HB       CYS  17  -2.865   8.287  -4.253
  121    H    LYS  18           H        LYS  18  -2.089   8.162  -5.929
  122    HA   LYS  18           HA       LYS  18   0.357   7.199  -6.940
  123    HB2  LYS  18          2HB       LYS  18  -0.749   9.120  -7.887
  124    HB3  LYS  18          1HB       LYS  18  -0.639   9.978  -6.363
  125    HG2  LYS  18          2HG       LYS  18   0.948  10.853  -7.832
  126    HG3  LYS  18          1HG       LYS  18   1.764   9.934  -6.553
  127    HD2  LYS  18          2HD       LYS  18   2.022   8.034  -8.115
  128    HD3  LYS  18          1HD       LYS  18   1.263   8.989  -9.389
  129    HE2  LYS  18          2HE       LYS  18   3.855   9.616  -7.976
  130    HE3  LYS  18          1HE       LYS  18   3.689   9.017  -9.623
  131    HZ1  LYS  18          1HZ       LYS  18   2.757  11.651  -8.601
  132    HZ2  LYS  18          2HZ       LYS  18   2.505  11.083 -10.168
  133    HZ3  LYS  18          3HZ       LYS  18   4.066  11.379  -9.627
  134    H    ASN  19           H        ASN  19   2.302   7.066  -6.238
  135    HA   ASN  19           HA       ASN  19   4.155   7.195  -5.019
  136    HB2  ASN  19          2HB       ASN  19   2.620   9.300  -3.653
  137    HB3  ASN  19          1HB       ASN  19   4.052   8.685  -2.809
  138   HD21  ASN  19          1HD2      ASN  19   5.272  10.530  -3.004
  139   HD22  ASN  19          2HD2      ASN  19   5.793  11.183  -4.504
  140    H    TYR  20           H        TYR  20   1.443   5.728  -4.192
  141    HA   TYR  20           HA       TYR  20   2.802   4.379  -2.026
  142    HB2  TYR  20          2HB       TYR  20  -0.077   5.213  -2.145
  143    HB3  TYR  20          1HB       TYR  20   0.522   3.972  -1.081
  144    HD1  TYR  20          1HD       TYR  20   1.714   4.485   0.909
  145    HD2  TYR  20          2HD       TYR  20   0.698   7.601  -1.790
  146    HE1  TYR  20          1HE       TYR  20   2.385   6.130   2.583
  147    HE2  TYR  20          2HE       TYR  20   1.366   9.267  -0.126
  148    HH   TYR  20           HH       TYR  20   1.616   9.386   2.314
  149    H    THR  21           H        THR  21   2.032   2.286  -1.721
  150    HA   THR  21           HA       THR  21   0.362   0.920  -3.472
  151    HB   THR  21           HB       THR  21   2.114   1.193  -5.023
  152    HG1  THR  21          1HG       THR  21   1.019  -0.981  -4.573
  153   HG21  THR  21          1HG2      THR  21   4.381   0.224  -4.742
  154   HG22  THR  21          2HG2      THR  21   3.967  -0.183  -3.075
  155   HG23  THR  21          3HG2      THR  21   4.049   1.506  -3.576
  156    H    CYS  22           H        CYS  22  -0.022  -1.076  -2.730
  157    HA   CYS  22           HA       CYS  22   0.772  -1.248  -0.008
  158    HB2  CYS  22          2HB       CYS  22  -0.860  -3.067   0.101
  159    HB3  CYS  22          1HB       CYS  22  -1.506  -1.451  -0.226
  160    H    SER  23           H        SER  23   1.808  -2.646   0.987
  161    HA   SER  23           HA       SER  23   3.483  -4.378  -0.655
  162    HB2  SER  23          2HB       SER  23   4.555  -2.574   0.699
  163    HB3  SER  23          1HB       SER  23   3.916  -3.303   2.150
  164    HG   SER  23           HG       SER  23   5.743  -4.465   0.326
  165    H    ARG  24           H        ARG  24   4.033  -6.502   0.368
  166    HA   ARG  24           HA       ARG  24   1.675  -7.700   1.622
  167    HB2  ARG  24          2HB       ARG  24   3.265  -8.602  -0.271
  168    HB3  ARG  24          1HB       ARG  24   4.213  -9.148   1.123
  169    HG2  ARG  24          2HG       ARG  24   1.425  -9.994   0.305
  170    HG3  ARG  24          1HG       ARG  24   2.876 -10.977   0.280
  171    HD2  ARG  24          2HD       ARG  24   1.431  -9.931   2.712
  172    HD3  ARG  24          1HD       ARG  24   1.429 -11.591   2.122
  173    HE   ARG  24           HE       ARG  24   4.072 -10.732   2.656
  174   HH11  ARG  24          1HH1      ARG  24   1.175 -11.944   4.256
  175   HH12  ARG  24          2HH1      ARG  24   1.957 -12.290   5.729
  176   HH21  ARG  24          1HH2      ARG  24   5.160 -11.221   4.669
  177   HH22  ARG  24          2HH2      ARG  24   4.273 -11.936   5.942
  178    H    ARG  25           H        ARG  25   5.056  -6.922   2.235
  179    HA   ARG  25           HA       ARG  25   5.580  -8.265   4.594
  180    HB2  ARG  25          2HB       ARG  25   7.165  -6.933   3.179
  181    HB3  ARG  25          1HB       ARG  25   6.456  -5.475   3.860
  182    HG2  ARG  25          2HG       ARG  25   7.078  -6.415   6.099
  183    HG3  ARG  25          1HG       ARG  25   8.048  -7.590   5.185
  184    HD2  ARG  25          2HD       ARG  25   9.455  -5.750   5.856
  185    HD3  ARG  25          1HD       ARG  25   9.226  -5.701   4.104
  186    HE   ARG  25           HE       ARG  25   7.256  -4.097   5.040
  187   HH11  ARG  25          1HH1      ARG  25  10.769  -4.081   5.464
  188   HH12  ARG  25          2HH1      ARG  25  10.844  -2.428   5.849
  189   HH21  ARG  25          1HH2      ARG  25   7.347  -1.913   5.620
  190   HH22  ARG  25          2HH2      ARG  25   8.846  -1.153   5.957
  191    H    ASP  26           H        ASP  26   4.287  -5.090   4.010
  192    HA   ASP  26           HA       ASP  26   3.730  -4.560   6.785
  193    HB2  ASP  26          2HB       ASP  26   3.217  -2.905   4.315
  194    HB3  ASP  26          1HB       ASP  26   3.196  -2.373   5.975
  195    H    ARG  27           H        ARG  27   2.077  -5.676   3.881
  196    HA   ARG  27           HA       ARG  27   0.147  -5.654   3.063
  197    HB2  ARG  27          2HB       ARG  27  -0.656  -6.483   5.840
  198    HB3  ARG  27          1HB       ARG  27  -1.662  -6.507   4.386
  199    HG2  ARG  27          2HG       ARG  27   0.206  -7.902   3.348
  200    HG3  ARG  27          1HG       ARG  27   0.708  -8.201   5.009
  201    HD2  ARG  27          2HD       ARG  27  -0.756  -9.962   4.300
  202    HD3  ARG  27          1HD       ARG  27  -1.607  -8.962   5.490
  203    HE   ARG  27           HE       ARG  27  -1.905  -8.663   2.604
  204   HH11  ARG  27          1HH1      ARG  27  -3.397  -9.075   5.796
  205   HH12  ARG  27          2HH1      ARG  27  -4.944  -8.568   5.316
  206   HH21  ARG  27          1HH2      ARG  27  -4.091  -7.911   1.950
  207   HH22  ARG  27          2HH2      ARG  27  -5.345  -7.883   3.085
  208    H    TRP  28           H        TRP  28   0.882  -3.046   4.319
  209    HA   TRP  28           HA       TRP  28  -1.788  -1.968   4.052
  210    HB2  TRP  28          2HB       TRP  28  -1.101  -0.016   5.389
  211    HB3  TRP  28          1HB       TRP  28  -0.881  -1.497   6.263
  212    HD1  TRP  28           HD       TRP  28   1.737   0.143   3.920
  213    HE1  TRP  28          1HE       TRP  28   3.818   0.706   5.399
  214    HE3  TRP  28          3HE       TRP  28  -0.129  -1.185   8.357
  215    HZ2  TRP  28          2HZ       TRP  28   4.505   0.585   8.142
  216    HZ3  TRP  28          3HZ       TRP  28   1.206  -0.947  10.381
  217    HH2  TRP  28           HH       TRP  28   3.510  -0.068  10.280
  218    H    CYS  29           H        CYS  29  -1.488   0.434   3.315
  219    HA   CYS  29           HA       CYS  29  -0.267   0.242   0.726
  220    HB2  CYS  29          2HB       CYS  29  -2.550   1.223   1.166
  221    HB3  CYS  29          1HB       CYS  29  -1.756   2.524   2.043
  222    H    LYS  30           H        LYS  30   1.896   0.458   0.826
  223    HA   LYS  30           HA       LYS  30   3.015   2.250   2.791
  224    HB2  LYS  30          2HB       LYS  30   3.676  -0.146   2.778
  225    HB3  LYS  30          1HB       LYS  30   4.273   0.061   1.138
  226    HG2  LYS  30          2HG       LYS  30   5.942   1.513   1.832
  227    HG3  LYS  30          1HG       LYS  30   5.274   1.618   3.480
  228    HD2  LYS  30          2HD       LYS  30   7.193   0.196   3.525
  229    HD3  LYS  30          1HD       LYS  30   5.762  -0.809   3.706
  230    HE2  LYS  30          2HE       LYS  30   5.870  -1.297   1.270
  231    HE3  LYS  30          1HE       LYS  30   7.387  -0.405   1.210
  232    HZ1  LYS  30          1HZ       LYS  30   8.363  -1.927   2.726
  233    HZ2  LYS  30          2HZ       LYS  30   7.704  -2.795   1.441
  234    HZ3  LYS  30          3HZ       LYS  30   6.893  -2.748   2.942
  235    H    TYR  31           H        TYR  31   4.873   3.495   2.056
  236    HA   TYR  31           HA       TYR  31   4.250   5.030  -0.222
  237    HB2  TYR  31          2HB       TYR  31   5.417   5.770   1.924
  238    HB3  TYR  31          1HB       TYR  31   6.854   4.984   1.283
  239    HD1  TYR  31          1HD       TYR  31   4.298   7.497   0.299
  240    HD2  TYR  31          2HD       TYR  31   8.369   6.298   0.111
  241    HE1  TYR  31          1HE       TYR  31   4.843   9.590  -0.822
  242    HE2  TYR  31          2HE       TYR  31   8.938   8.390  -1.031
  243    HH   TYR  31           HH       TYR  31   7.836  10.134  -2.356
  244    H    TYR  32           H        TYR  32   5.066   4.948  -2.174
  245    HA   TYR  32           HA       TYR  32   6.356   2.591  -3.101
  246    HB2  TYR  32          2HB       TYR  32   4.705   3.591  -4.501
  247    HB3  TYR  32          1HB       TYR  32   5.476   5.161  -4.374
  248    HD1  TYR  32          1HD       TYR  32   7.015   5.856  -5.938
  249    HD2  TYR  32          2HD       TYR  32   5.910   1.764  -5.824
  250    HE1  TYR  32          1HE       TYR  32   8.185   5.507  -8.042
  251    HE2  TYR  32          2HE       TYR  32   7.094   1.383  -7.947
  252    HH   TYR  32           HH       TYR  32   7.804   2.734  -9.928
  253    H    LEU  33           H        LEU  33   8.404   2.293  -3.482
  254    HA   LEU  33           HA       LEU  33  10.282   4.406  -2.793
  255    HB2  LEU  33          2HB       LEU  33  10.797   1.471  -3.356
  256    HB3  LEU  33          1HB       LEU  33  12.037   2.625  -2.938
  257    HG   LEU  33           HG       LEU  33  11.644   1.370  -1.007
  258   HD11  LEU  33          1HD1      LEU  33  10.804   2.931   0.635
  259   HD12  LEU  33          2HD1      LEU  33  10.118   3.920  -0.651
  260   HD13  LEU  33          3HD1      LEU  33  11.866   3.702  -0.543
  261   HD21  LEU  33          1HD2      LEU  33   9.438   1.021   0.019
  262   HD22  LEU  33          2HD2      LEU  33   9.544   0.311  -1.593
  263   HD23  LEU  33          3HD2      LEU  33   8.688   1.834  -1.354
  264    HN1  NH2  34          1H        LEU  33  10.540   1.881  -5.224
  265    HN2  NH2  34          2H        LEU  33  10.934   2.933  -6.533
  Start of MODEL    7
    1    H1   ASP   1          1HT       ASP   1 -11.750   6.983  -2.096
    2    H2   ASP   1          2HT       ASP   1 -12.748   7.124  -3.441
    3    H3   ASP   1          3HT       ASP   1 -11.380   8.121  -3.274
    4    HA   ASP   1           HA       ASP   1 -11.308   5.194  -3.536
    5    HB2  ASP   1          2HB       ASP   1 -10.803   7.373  -5.555
    6    HB3  ASP   1          1HB       ASP   1 -10.180   5.736  -5.755
    7    H    CYS   2           H        CYS   2  -9.106   4.474  -4.134
    8    HA   CYS   2           HA       CYS   2  -7.259   3.920  -3.329
    9    HB2  CYS   2          2HB       CYS   2  -5.383   5.406  -3.502
   10    HB3  CYS   2          1HB       CYS   2  -6.338   5.371  -4.942
   11    H    LEU   3           H        LEU   3  -5.314   4.483  -1.858
   12    HA   LEU   3           HA       LEU   3  -6.542   4.840   0.783
   13    HB2  LEU   3          2HB       LEU   3  -4.296   3.039  -0.055
   14    HB3  LEU   3          1HB       LEU   3  -4.941   3.188   1.566
   15    HG   LEU   3           HG       LEU   3  -6.336   2.015  -0.834
   16   HD11  LEU   3          1HD1      LEU   3  -6.190  -0.076   0.423
   17   HD12  LEU   3          2HD1      LEU   3  -5.257   0.751   1.670
   18   HD13  LEU   3          3HD1      LEU   3  -4.609   0.600   0.036
   19   HD21  LEU   3          1HD2      LEU   3  -8.114   1.366   0.748
   20   HD22  LEU   3          2HD2      LEU   3  -7.971   3.111   0.571
   21   HD23  LEU   3          3HD2      LEU   3  -7.323   2.318   2.008
   22    H    GLY   4           H        GLY   4  -4.904   5.416   2.404
   23    HA2  GLY   4          2HA       GLY   4  -2.886   7.056   1.203
   24    HA3  GLY   4          1HA       GLY   4  -3.392   7.180   2.910
   25    H    TRP   5           H        TRP   5  -2.137   6.026   4.415
   26    HA   TRP   5           HA       TRP   5  -0.323   4.176   3.243
   27    HB2  TRP   5          2HB       TRP   5   0.647   6.204   4.376
   28    HB3  TRP   5          1HB       TRP   5   0.026   5.539   5.879
   29    HD1  TRP   5           HD       TRP   5   0.866   2.593   5.741
   30    HE1  TRP   5          1HE       TRP   5   3.320   1.840   5.761
   31    HE3  TRP   5          3HE       TRP   5   2.988   6.925   4.147
   32    HZ2  TRP   5          2HZ       TRP   5   5.860   2.978   5.170
   33    HZ3  TRP   5          3HZ       TRP   5   5.434   7.024   3.899
   34    HH2  TRP   5           HH       TRP   5   6.836   5.086   4.403
   35    H    PHE   6           H        PHE   6  -1.683   4.617   6.350
   36    HA   PHE   6           HA       PHE   6  -1.314   1.807   6.949
   37    HB2  PHE   6          2HB       PHE   6  -2.571   3.974   8.654
   38    HB3  PHE   6          1HB       PHE   6  -2.128   2.359   9.212
   39    HD1  PHE   6          1HD       PHE   6  -1.042   5.694   8.561
   40    HD2  PHE   6          2HD       PHE   6   0.273   1.706   9.181
   41    HE1  PHE   6          1HE       PHE   6   1.211   6.521   9.076
   42    HE2  PHE   6          2HE       PHE   6   2.505   2.513   9.700
   43    HZ   PHE   6           HZ       PHE   6   2.983   4.924   9.651
   44    H    LYS   7           H        LYS   7  -3.175   2.284   4.927
   45    HA   LYS   7           HA       LYS   7  -5.633   1.167   6.078
   46    HB2  LYS   7          2HB       LYS   7  -5.031   2.094   3.291
   47    HB3  LYS   7          1HB       LYS   7  -6.571   1.508   3.851
   48    HG2  LYS   7          2HG       LYS   7  -5.241   4.016   4.870
   49    HG3  LYS   7          1HG       LYS   7  -6.505   3.984   3.643
   50    HD2  LYS   7          2HD       LYS   7  -6.785   3.016   6.502
   51    HD3  LYS   7          1HD       LYS   7  -7.397   4.540   5.865
   52    HE2  LYS   7          2HE       LYS   7  -8.827   3.273   4.287
   53    HE3  LYS   7          1HE       LYS   7  -8.247   1.775   5.007
   54    HZ1  LYS   7          1HZ       LYS   7  -9.756   3.901   6.399
   55    HZ2  LYS   7          2HZ       LYS   7  -9.203   2.475   7.124
   56    HZ3  LYS   7          3HZ       LYS   7 -10.370   2.407   5.910
   57    H    SER   8           H        SER   8  -6.312  -0.890   5.213
   58    HA   SER   8           HA       SER   8  -4.127  -2.570   4.751
   59    HB2  SER   8          2HB       SER   8  -7.035  -3.132   4.701
   60    HB3  SER   8          1HB       SER   8  -5.707  -4.204   5.095
   61    HG   SER   8           HG       SER   8  -5.192  -2.750   6.844
   62    H    CYS   9           H        CYS   9  -3.691  -3.582   2.951
   63    HA   CYS   9           HA       CYS   9  -5.397  -3.462   0.613
   64    HB2  CYS   9          2HB       CYS   9  -4.205  -1.461   0.424
   65    HB3  CYS   9          1HB       CYS   9  -2.656  -2.300   0.684
   66    H    ASP  10           H        ASP  10  -4.292  -4.597  -1.133
   67    HA   ASP  10           HA       ASP  10  -2.519  -6.760  -0.301
   68    HB2  ASP  10          2HB       ASP  10  -4.815  -7.572  -0.043
   69    HB3  ASP  10          1HB       ASP  10  -5.146  -7.172  -1.708
   70    HA   PRO  11           HA       PRO  11  -0.522  -5.615  -4.049
   71    HB2  PRO  11          2HB       PRO  11   0.291  -8.189  -4.791
   72    HB3  PRO  11          1HB       PRO  11   1.201  -7.082  -3.740
   73    HG2  PRO  11          2HG       PRO  11  -0.638  -9.309  -3.034
   74    HG3  PRO  11          1HG       PRO  11   0.897  -8.829  -2.285
   75    HD2  PRO  11          2HD       PRO  11  -1.386  -8.240  -1.127
   76    HD3  PRO  11          1HD       PRO  11  -0.084  -7.025  -1.173
   77    H    LYS  12           H        LYS  12  -2.838  -8.277  -4.196
   78    HA   LYS  12           HA       LYS  12  -3.062  -8.003  -7.101
   79    HB2  LYS  12          2HB       LYS  12  -4.469  -9.798  -5.156
   80    HB3  LYS  12          1HB       LYS  12  -4.701  -9.854  -6.891
   81    HG2  LYS  12          2HG       LYS  12  -2.324 -10.415  -7.189
   82    HG3  LYS  12          1HG       LYS  12  -2.113 -10.421  -5.438
   83    HD2  LYS  12          2HD       LYS  12  -3.818 -12.219  -5.296
   84    HD3  LYS  12          1HD       LYS  12  -3.900 -12.240  -7.058
   85    HE2  LYS  12          2HE       LYS  12  -2.447 -14.022  -6.295
   86    HE3  LYS  12          1HE       LYS  12  -1.497 -12.799  -7.134
   87    HZ1  LYS  12          1HZ       LYS  12  -1.743 -13.093  -4.195
   88    HZ2  LYS  12          2HZ       LYS  12  -0.853 -11.902  -4.950
   89    HZ3  LYS  12          3HZ       LYS  12  -0.391 -13.513  -5.105
   90    H    ASN  13           H        ASN  13  -4.289  -6.556  -4.432
   91    HA   ASN  13           HA       ASN  13  -6.781  -5.817  -5.796
   92    HB2  ASN  13          2HB       ASN  13  -7.070  -7.633  -4.080
   93    HB3  ASN  13          1HB       ASN  13  -6.421  -6.526  -2.897
   94   HD21  ASN  13          1HD2      ASN  13  -8.225  -6.838  -1.759
   95   HD22  ASN  13          2HD2      ASN  13  -9.714  -6.010  -2.062
   96    H    ASP  14           H        ASP  14  -4.494  -4.565  -5.928
   97    HA   ASP  14           HA       ASP  14  -3.734  -2.708  -4.001
   98    HB2  ASP  14          2HB       ASP  14  -2.343  -3.183  -5.912
   99    HB3  ASP  14          1HB       ASP  14  -3.540  -2.447  -6.988
  100    H    LYS  15           H        LYS  15  -4.512  -1.012  -3.296
  101    HA   LYS  15           HA       LYS  15  -6.618   0.475  -4.707
  102    HB2  LYS  15          2HB       LYS  15  -6.244  -0.064  -1.774
  103    HB3  LYS  15          1HB       LYS  15  -7.440   1.016  -2.461
  104    HG2  LYS  15          2HG       LYS  15  -8.542  -0.864  -3.525
  105    HG3  LYS  15          1HG       LYS  15  -7.290  -1.955  -2.924
  106    HD2  LYS  15          2HD       LYS  15  -7.911  -1.409  -0.629
  107    HD3  LYS  15          1HD       LYS  15  -9.152  -0.304  -1.218
  108    HE2  LYS  15          2HE       LYS  15  -9.043  -3.279  -1.685
  109    HE3  LYS  15          1HE       LYS  15 -10.114  -2.443  -0.561
  110    HZ1  LYS  15          1HZ       LYS  15 -10.112  -2.180  -3.514
  111    HZ2  LYS  15          2HZ       LYS  15 -11.076  -1.277  -2.470
  112    HZ3  LYS  15          3HZ       LYS  15 -11.272  -2.948  -2.567
  113    H    CYS  16           H        CYS  16  -3.598   0.650  -4.457
  114    HA   CYS  16           HA       CYS  16  -3.233   2.865  -2.700
  115    HB2  CYS  16          2HB       CYS  16  -1.373   1.213  -4.335
  116    HB3  CYS  16          1HB       CYS  16  -0.848   2.726  -3.590
  117    H    CYS  17           H        CYS  17  -2.380   4.836  -3.234
  118    HA   CYS  17           HA       CYS  17  -3.470   5.754  -5.769
  119    HB2  CYS  17          2HB       CYS  17  -3.698   6.740  -3.175
  120    HB3  CYS  17          1HB       CYS  17  -2.510   7.783  -3.918
  121    H    LYS  18           H        LYS  18  -1.994   8.160  -5.804
  122    HA   LYS  18           HA       LYS  18   0.212   7.364  -7.356
  123    HB2  LYS  18          2HB       LYS  18  -1.108   9.397  -7.766
  124    HB3  LYS  18          1HB       LYS  18  -0.577  10.041  -6.220
  125    HG2  LYS  18          2HG       LYS  18   0.677  11.048  -7.946
  126    HG3  LYS  18          1HG       LYS  18   1.703   9.956  -6.998
  127    HD2  LYS  18          2HD       LYS  18   1.420   8.221  -8.754
  128    HD3  LYS  18          1HD       LYS  18   0.497   9.374  -9.712
  129    HE2  LYS  18          2HE       LYS  18   2.417  10.823  -9.904
  130    HE3  LYS  18          1HE       LYS  18   3.350   9.780  -8.830
  131    HZ1  LYS  18          1HZ       LYS  18   2.315   9.039 -11.513
  132    HZ2  LYS  18          2HZ       LYS  18   3.138   8.005 -10.491
  133    HZ3  LYS  18          3HZ       LYS  18   3.924   9.355 -11.134
  134    H    ASN  19           H        ASN  19   2.162   6.955  -6.886
  135    HA   ASN  19           HA       ASN  19   4.143   6.803  -5.877
  136    HB2  ASN  19          2HB       ASN  19   3.016   8.952  -4.178
  137    HB3  ASN  19          1HB       ASN  19   4.638   8.303  -3.880
  138   HD21  ASN  19          1HD2      ASN  19   4.006  10.987  -4.422
  139   HD22  ASN  19          2HD2      ASN  19   4.676  11.419  -5.947
  140    H    TYR  20           H        TYR  20   1.537   5.503  -4.806
  141    HA   TYR  20           HA       TYR  20   2.832   4.407  -2.420
  142    HB2  TYR  20          2HB       TYR  20  -0.084   4.735  -3.038
  143    HB3  TYR  20          1HB       TYR  20   0.513   3.692  -1.785
  144    HD1  TYR  20          1HD       TYR  20  -0.012   7.205  -2.744
  145    HD2  TYR  20          2HD       TYR  20   1.430   4.582   0.276
  146    HE1  TYR  20          1HE       TYR  20  -0.062   9.043  -1.127
  147    HE2  TYR  20          2HE       TYR  20   1.398   6.407   1.895
  148    HH   TYR  20           HH       TYR  20  -0.187   9.346   1.295
  149    H    THR  21           H        THR  21   2.238   2.157  -1.990
  150    HA   THR  21           HA       THR  21   1.276   0.417  -4.044
  151    HB   THR  21           HB       THR  21   4.111   0.115  -3.176
  152    HG1  THR  21          1HG       THR  21   3.083   1.691  -5.146
  153   HG21  THR  21          1HG2      THR  21   2.571  -1.222  -5.405
  154   HG22  THR  21          2HG2      THR  21   3.056  -1.940  -3.871
  155   HG23  THR  21          3HG2      THR  21   4.279  -1.503  -5.065
  156    H    CYS  22           H        CYS  22   0.629  -1.475  -2.886
  157    HA   CYS  22           HA       CYS  22   1.143  -1.097  -0.130
  158    HB2  CYS  22          2HB       CYS  22  -0.642  -2.765   0.196
  159    HB3  CYS  22          1HB       CYS  22  -1.158  -1.184  -0.400
  160    H    SER  23           H        SER  23   1.962  -2.348   1.206
  161    HA   SER  23           HA       SER  23   3.787  -4.305   0.233
  162    HB2  SER  23          2HB       SER  23   4.456  -2.765   2.043
  163    HB3  SER  23          1HB       SER  23   3.106  -3.309   3.019
  164    HG   SER  23           HG       SER  23   5.118  -4.305   3.604
  165    H    ARG  24           H        ARG  24   3.664  -6.489   0.770
  166    HA   ARG  24           HA       ARG  24   0.969  -7.464   1.356
  167    HB2  ARG  24          2HB       ARG  24   2.661  -8.224  -0.524
  168    HB3  ARG  24          1HB       ARG  24   3.332  -9.161   0.807
  169    HG2  ARG  24          2HG       ARG  24   0.500  -9.386  -0.230
  170    HG3  ARG  24          1HG       ARG  24   1.799 -10.493  -0.634
  171    HD2  ARG  24          2HD       ARG  24   0.575  -9.990   2.051
  172    HD3  ARG  24          1HD       ARG  24   0.361 -11.423   1.038
  173    HE   ARG  24           HE       ARG  24   3.090 -11.104   1.505
  174   HH11  ARG  24          1HH1      ARG  24   0.205 -12.086   3.308
  175   HH12  ARG  24          2HH1      ARG  24   1.082 -12.799   4.582
  176   HH21  ARG  24          1HH2      ARG  24   4.258 -12.058   3.253
  177   HH22  ARG  24          2HH2      ARG  24   3.437 -12.792   4.558
  178    H    ARG  25           H        ARG  25   4.283  -7.387   2.459
  179    HA   ARG  25           HA       ARG  25   4.268  -9.177   4.587
  180    HB2  ARG  25          2HB       ARG  25   6.245  -8.025   3.559
  181    HB3  ARG  25          1HB       ARG  25   5.737  -6.548   4.369
  182    HG2  ARG  25          2HG       ARG  25   5.922  -7.830   6.507
  183    HG3  ARG  25          1HG       ARG  25   6.718  -9.085   5.540
  184    HD2  ARG  25          2HD       ARG  25   8.433  -7.723   6.518
  185    HD3  ARG  25          1HD       ARG  25   8.356  -7.370   4.790
  186    HE   ARG  25           HE       ARG  25   6.725  -5.506   5.856
  187   HH11  ARG  25          1HH1      ARG  25  10.127  -6.298   6.362
  188   HH12  ARG  25          2HH1      ARG  25  10.503  -4.800   7.087
  189   HH21  ARG  25          1HH2      ARG  25   7.199  -3.546   6.903
  190   HH22  ARG  25          2HH2      ARG  25   8.788  -3.185   7.429
  191    H    ASP  26           H        ASP  26   3.780  -5.703   4.453
  192    HA   ASP  26           HA       ASP  26   2.918  -5.532   7.204
  193    HB2  ASP  26          2HB       ASP  26   3.166  -3.417   5.076
  194    HB3  ASP  26          1HB       ASP  26   2.987  -3.176   6.800
  195    H    ARG  27           H        ARG  27   1.554  -5.891   4.038
  196    HA   ARG  27           HA       ARG  27  -0.204  -5.318   3.037
  197    HB2  ARG  27          2HB       ARG  27  -1.016  -6.912   5.313
  198    HB3  ARG  27          1HB       ARG  27  -2.309  -6.038   4.470
  199    HG2  ARG  27          2HG       ARG  27  -1.567  -7.038   2.365
  200    HG3  ARG  27          1HG       ARG  27  -0.303  -7.902   3.234
  201    HD2  ARG  27          2HD       ARG  27  -1.877  -9.238   4.374
  202    HD3  ARG  27          1HD       ARG  27  -3.224  -8.211   3.874
  203    HE   ARG  27           HE       ARG  27  -2.648  -8.967   1.540
  204   HH11  ARG  27          1HH1      ARG  27  -2.092 -11.091   4.331
  205   HH12  ARG  27          2HH1      ARG  27  -2.225 -12.507   3.393
  206   HH21  ARG  27          1HH2      ARG  27  -2.842 -10.864   0.351
  207   HH22  ARG  27          2HH2      ARG  27  -2.623 -12.399   1.089
  208    H    TRP  28           H        TRP  28   0.721  -3.030   4.364
  209    HA   TRP  28           HA       TRP  28  -1.792  -1.567   4.163
  210    HB2  TRP  28          2HB       TRP  28  -0.657   0.324   5.373
  211    HB3  TRP  28          1HB       TRP  28  -0.862  -1.122   6.320
  212    HD1  TRP  28           HD       TRP  28   2.162  -0.518   3.984
  213    HE1  TRP  28          1HE       TRP  28   4.288  -0.443   5.521
  214    HE3  TRP  28          3HE       TRP  28  -0.134  -0.720   8.448
  215    HZ2  TRP  28          2HZ       TRP  28   4.835  -0.441   8.295
  216    HZ3  TRP  28          3HZ       TRP  28   1.195  -0.670  10.515
  217    HH2  TRP  28           HH       TRP  28   3.645  -0.530  10.436
  218    H    CYS  29           H        CYS  29  -1.331   0.704   3.288
  219    HA   CYS  29           HA       CYS  29  -0.076   0.277   0.674
  220    HB2  CYS  29          2HB       CYS  29  -2.414   1.220   0.956
  221    HB3  CYS  29          1HB       CYS  29  -1.676   2.621   1.717
  222    H    LYS  30           H        LYS  30   2.019   0.509   0.744
  223    HA   LYS  30           HA       LYS  30   3.206   2.248   2.694
  224    HB2  LYS  30          2HB       LYS  30   3.893  -0.147   2.225
  225    HB3  LYS  30          1HB       LYS  30   4.453   0.402   0.656
  226    HG2  LYS  30          2HG       LYS  30   5.990   1.946   1.812
  227    HG3  LYS  30          1HG       LYS  30   5.438   1.229   3.340
  228    HD2  LYS  30          2HD       LYS  30   6.218  -0.961   2.618
  229    HD3  LYS  30          1HD       LYS  30   6.771  -0.276   1.090
  230    HE2  LYS  30          2HE       LYS  30   8.321   1.186   2.351
  231    HE3  LYS  30          1HE       LYS  30   7.795   0.414   3.844
  232    HZ1  LYS  30          1HZ       LYS  30   9.813  -0.609   3.120
  233    HZ2  LYS  30          2HZ       LYS  30   9.210  -0.868   1.579
  234    HZ3  LYS  30          3HZ       LYS  30   8.566  -1.714   2.881
  235    H    TYR  31           H        TYR  31   4.422   4.035   2.061
  236    HA   TYR  31           HA       TYR  31   3.803   5.174  -0.485
  237    HB2  TYR  31          2HB       TYR  31   4.267   6.436   1.697
  238    HB3  TYR  31          1HB       TYR  31   5.962   6.052   1.396
  239    HD1  TYR  31          1HD       TYR  31   3.047   7.588  -0.278
  240    HD2  TYR  31          2HD       TYR  31   7.253   7.587   0.224
  241    HE1  TYR  31          1HE       TYR  31   3.187   9.591  -1.656
  242    HE2  TYR  31          2HE       TYR  31   7.425   9.610  -1.169
  243    HH   TYR  31           HH       TYR  31   6.098  10.791  -2.895
  244    H    TYR  32           H        TYR  32   4.947   4.952  -2.279
  245    HA   TYR  32           HA       TYR  32   7.199   3.168  -2.168
  246    HB2  TYR  32          2HB       TYR  32   5.476   2.770  -3.866
  247    HB3  TYR  32          1HB       TYR  32   5.763   4.373  -4.541
  248    HD1  TYR  32          1HD       TYR  32   7.467   1.187  -3.786
  249    HD2  TYR  32          2HD       TYR  32   7.347   4.652  -6.210
  250    HE1  TYR  32          1HE       TYR  32   9.253   0.254  -5.169
  251    HE2  TYR  32          2HE       TYR  32   9.131   3.757  -7.622
  252    HH   TYR  32           HH       TYR  32  10.917   2.146  -7.523
  253    H    LEU  33           H        LEU  33   9.216   3.745  -2.423
  254    HA   LEU  33           HA       LEU  33   9.767   6.577  -2.750
  255    HB2  LEU  33          2HB       LEU  33  11.640   4.335  -1.937
  256    HB3  LEU  33          1HB       LEU  33  12.065   6.026  -2.027
  257    HG   LEU  33           HG       LEU  33  11.830   5.600   0.241
  258   HD11  LEU  33          1HD1      LEU  33  10.746   7.645  -0.335
  259   HD12  LEU  33          2HD1      LEU  33   9.907   6.874   1.009
  260   HD13  LEU  33          3HD1      LEU  33   9.224   6.799  -0.612
  261   HD21  LEU  33          1HD2      LEU  33  10.766   3.422   0.156
  262   HD22  LEU  33          2HD2      LEU  33   9.239   4.164  -0.315
  263   HD23  LEU  33          3HD2      LEU  33   9.910   4.471   1.287
  264    HN1  NH2  34          1H        LEU  33   9.546   6.884  -4.892
  265    HN2  NH2  34          2H        LEU  33  10.492   6.094  -6.104
  Start of MODEL    8
    1    H1   ASP   1          1HT       ASP   1 -12.368   4.160  -5.871
    2    H2   ASP   1          2HT       ASP   1 -11.581   3.126  -4.752
    3    H3   ASP   1          3HT       ASP   1 -10.941   3.343  -6.295
    4    HA   ASP   1           HA       ASP   1 -10.514   5.636  -5.850
    5    HB2  ASP   1          2HB       ASP   1 -11.481   4.884  -3.089
    6    HB3  ASP   1          1HB       ASP   1 -10.583   6.352  -3.439
    7    H    CYS   2           H        CYS   2  -8.634   6.223  -4.122
    8    HA   CYS   2           HA       CYS   2  -7.017   3.810  -4.069
    9    HB2  CYS   2          2HB       CYS   2  -5.120   5.284  -3.619
   10    HB3  CYS   2          1HB       CYS   2  -5.874   5.633  -5.146
   11    H    LEU   3           H        LEU   3  -5.365   4.074  -2.149
   12    HA   LEU   3           HA       LEU   3  -7.014   4.304   0.268
   13    HB2  LEU   3          2HB       LEU   3  -4.748   2.417  -0.315
   14    HB3  LEU   3          1HB       LEU   3  -5.578   2.553   1.220
   15    HG   LEU   3           HG       LEU   3  -6.779   1.602  -1.369
   16   HD11  LEU   3          1HD1      LEU   3  -6.880  -0.570  -0.214
   17   HD12  LEU   3          2HD1      LEU   3  -6.023   0.135   1.158
   18   HD13  LEU   3          3HD1      LEU   3  -5.228   0.011  -0.412
   19   HD21  LEU   3          1HD2      LEU   3  -7.978   1.766   1.397
   20   HD22  LEU   3          2HD2      LEU   3  -8.730   1.005  -0.005
   21   HD23  LEU   3          3HD2      LEU   3  -8.436   2.743   0.001
   22    H    GLY   4           H        GLY   4  -5.695   4.757   2.226
   23    HA2  GLY   4          2HA       GLY   4  -3.516   6.390   1.464
   24    HA3  GLY   4          1HA       GLY   4  -4.401   6.520   3.004
   25    H    TRP   5           H        TRP   5  -2.213   6.301   3.838
   26    HA   TRP   5           HA       TRP   5  -0.515   4.230   3.246
   27    HB2  TRP   5          2HB       TRP   5   0.303   6.303   4.201
   28    HB3  TRP   5          1HB       TRP   5  -0.557   5.973   5.689
   29    HD1  TRP   5           HD       TRP   5   0.916   2.757   5.153
   30    HE1  TRP   5          1HE       TRP   5   3.194   2.490   6.281
   31    HE3  TRP   5          3HE       TRP   5   1.950   7.684   5.952
   32    HZ2  TRP   5          2HZ       TRP   5   5.197   4.182   7.372
   33    HZ3  TRP   5          3HZ       TRP   5   4.070   8.279   7.039
   34    HH2  TRP   5           HH       TRP   5   5.655   6.570   7.733
   35    H    PHE   6           H        PHE   6  -2.080   4.624   6.245
   36    HA   PHE   6           HA       PHE   6  -1.495   1.862   6.995
   37    HB2  PHE   6          2HB       PHE   6  -2.899   4.075   8.475
   38    HB3  PHE   6          1HB       PHE   6  -2.489   2.509   9.201
   39    HD1  PHE   6          1HD       PHE   6   0.088   1.952   9.035
   40    HD2  PHE   6          2HD       PHE   6  -1.580   5.854   8.812
   41    HE1  PHE   6          1HE       PHE   6   2.223   2.910   9.757
   42    HE2  PHE   6          2HE       PHE   6   0.551   6.814   9.525
   43    HZ   PHE   6           HZ       PHE   6   2.448   5.348  10.002
   44    H    LYS   7           H        LYS   7  -3.417   2.346   4.880
   45    HA   LYS   7           HA       LYS   7  -5.784   1.056   6.026
   46    HB2  LYS   7          2HB       LYS   7  -5.188   1.864   3.190
   47    HB3  LYS   7          1HB       LYS   7  -6.679   1.177   3.753
   48    HG2  LYS   7          2HG       LYS   7  -5.633   3.840   4.694
   49    HG3  LYS   7          1HG       LYS   7  -6.841   3.630   3.422
   50    HD2  LYS   7          2HD       LYS   7  -8.312   2.492   5.013
   51    HD3  LYS   7          1HD       LYS   7  -7.110   2.709   6.285
   52    HE2  LYS   7          2HE       LYS   7  -7.330   5.129   6.075
   53    HE3  LYS   7          1HE       LYS   7  -8.523   4.921   4.794
   54    HZ1  LYS   7          1HZ       LYS   7  -9.979   3.839   6.361
   55    HZ2  LYS   7          2HZ       LYS   7  -9.517   5.347   6.977
   56    HZ3  LYS   7          3HZ       LYS   7  -8.807   3.947   7.574
   57    H    SER   8           H        SER   8  -6.319  -1.090   5.295
   58    HA   SER   8           HA       SER   8  -3.996  -2.594   4.780
   59    HB2  SER   8          2HB       SER   8  -6.845  -3.351   5.069
   60    HB3  SER   8          1HB       SER   8  -5.438  -4.383   5.190
   61    HG   SER   8           HG       SER   8  -5.052  -2.396   6.878
   62    H    CYS   9           H        CYS   9  -3.662  -3.636   2.996
   63    HA   CYS   9           HA       CYS   9  -5.558  -3.562   0.799
   64    HB2  CYS   9          2HB       CYS   9  -4.271  -1.613   0.547
   65    HB3  CYS   9          1HB       CYS   9  -2.768  -2.523   0.745
   66    H    ASP  10           H        ASP  10  -4.381  -4.723  -1.007
   67    HA   ASP  10           HA       ASP  10  -2.761  -6.975  -0.072
   68    HB2  ASP  10          2HB       ASP  10  -5.244  -7.595  -0.101
   69    HB3  ASP  10          1HB       ASP  10  -5.155  -7.411  -1.849
   70    HA   PRO  11           HA       PRO  11  -0.600  -5.166  -3.591
   71    HB2  PRO  11          2HB       PRO  11   0.976  -7.526  -3.855
   72    HB3  PRO  11          1HB       PRO  11   1.438  -6.002  -3.089
   73    HG2  PRO  11          2HG       PRO  11   0.326  -8.483  -1.878
   74    HG3  PRO  11          1HG       PRO  11   1.479  -7.322  -1.178
   75    HD2  PRO  11          2HD       PRO  11  -0.988  -7.481  -0.368
   76    HD3  PRO  11          1HD       PRO  11  -0.243  -5.881  -0.571
   77    H    LYS  12           H        LYS  12  -2.045  -8.375  -3.679
   78    HA   LYS  12           HA       LYS  12  -1.817  -8.704  -6.515
   79    HB2  LYS  12          2HB       LYS  12  -3.827  -9.945  -4.643
   80    HB3  LYS  12          1HB       LYS  12  -3.555 -10.433  -6.305
   81    HG2  LYS  12          2HG       LYS  12  -1.214 -11.058  -5.665
   82    HG3  LYS  12          1HG       LYS  12  -1.646 -10.669  -4.002
   83    HD2  LYS  12          2HD       LYS  12  -1.787 -13.072  -4.398
   84    HD3  LYS  12          1HD       LYS  12  -3.369 -12.400  -4.020
   85    HE2  LYS  12          2HE       LYS  12  -3.513 -14.024  -5.821
   86    HE3  LYS  12          1HE       LYS  12  -3.942 -12.428  -6.415
   87    HZ1  LYS  12          1HZ       LYS  12  -1.712 -12.250  -7.385
   88    HZ2  LYS  12          2HZ       LYS  12  -2.525 -13.611  -7.951
   89    HZ3  LYS  12          3HZ       LYS  12  -1.320 -13.782  -6.782
   90    H    ASN  13           H        ASN  13  -3.874  -7.023  -4.477
   91    HA   ASN  13           HA       ASN  13  -5.615  -6.196  -6.695
   92    HB2  ASN  13          2HB       ASN  13  -6.665  -7.923  -5.231
   93    HB3  ASN  13          1HB       ASN  13  -6.421  -6.875  -3.859
   94   HD21  ASN  13          1HD2      ASN  13  -8.633  -6.954  -3.477
   95   HD22  ASN  13          2HD2      ASN  13  -9.777  -6.025  -4.361
   96    H    ASP  14           H        ASP  14  -3.410  -4.938  -6.035
   97    HA   ASP  14           HA       ASP  14  -3.276  -3.134  -3.920
   98    HB2  ASP  14          2HB       ASP  14  -1.394  -3.586  -5.421
   99    HB3  ASP  14          1HB       ASP  14  -2.235  -2.723  -6.715
  100    H    LYS  15           H        LYS  15  -4.210  -1.369  -3.450
  101    HA   LYS  15           HA       LYS  15  -5.940   0.018  -5.385
  102    HB2  LYS  15          2HB       LYS  15  -6.310  -0.492  -2.449
  103    HB3  LYS  15          1HB       LYS  15  -7.295   0.596  -3.399
  104    HG2  LYS  15          2HG       LYS  15  -8.104  -1.294  -4.721
  105    HG3  LYS  15          1HG       LYS  15  -7.058  -2.384  -3.803
  106    HD2  LYS  15          2HD       LYS  15  -8.241  -1.780  -1.743
  107    HD3  LYS  15          1HD       LYS  15  -9.286  -0.698  -2.659
  108    HE2  LYS  15          2HE       LYS  15 -10.142  -2.600  -3.930
  109    HE3  LYS  15          1HE       LYS  15  -9.076  -3.684  -3.036
  110    HZ1  LYS  15          1HZ       LYS  15 -10.232  -3.092  -1.005
  111    HZ2  LYS  15          2HZ       LYS  15 -11.321  -3.693  -2.127
  112    HZ3  LYS  15          3HZ       LYS  15 -11.243  -2.041  -1.838
  113    H    CYS  16           H        CYS  16  -3.075   0.417  -4.461
  114    HA   CYS  16           HA       CYS  16  -3.197   2.525  -2.602
  115    HB2  CYS  16          2HB       CYS  16  -1.032   1.154  -4.031
  116    HB3  CYS  16          1HB       CYS  16  -0.713   2.750  -3.340
  117    H    CYS  17           H        CYS  17  -2.276   4.563  -2.816
  118    HA   CYS  17           HA       CYS  17  -3.421   5.830  -5.144
  119    HB2  CYS  17          2HB       CYS  17  -3.571   6.430  -2.508
  120    HB3  CYS  17          1HB       CYS  17  -2.210   7.422  -2.975
  121    H    LYS  18           H        LYS  18  -1.896   8.129  -5.027
  122    HA   LYS  18           HA       LYS  18   0.264   7.481  -6.774
  123    HB2  LYS  18          2HB       LYS  18  -1.137   9.500  -6.883
  124    HB3  LYS  18          1HB       LYS  18  -0.364  10.064  -5.404
  125    HG2  LYS  18          2HG       LYS  18   1.787   9.943  -6.478
  126    HG3  LYS  18          1HG       LYS  18   1.004   9.377  -7.956
  127    HD2  LYS  18          2HD       LYS  18   0.479  11.988  -6.618
  128    HD3  LYS  18          1HD       LYS  18   1.586  11.761  -7.989
  129    HE2  LYS  18          2HE       LYS  18  -0.322  10.946  -9.337
  130    HE3  LYS  18          1HE       LYS  18  -1.386  11.238  -7.964
  131    HZ1  LYS  18          1HZ       LYS  18  -0.890  13.575  -8.098
  132    HZ2  LYS  18          2HZ       LYS  18  -1.499  13.011  -9.562
  133    HZ3  LYS  18          3HZ       LYS  18   0.157  13.311  -9.403
  134    H    ASN  19           H        ASN  19   2.213   6.947  -6.378
  135    HA   ASN  19           HA       ASN  19   4.264   6.851  -5.508
  136    HB2  ASN  19          2HB       ASN  19   3.189   8.952  -3.693
  137    HB3  ASN  19          1HB       ASN  19   4.810   8.284  -3.440
  138   HD21  ASN  19          1HD2      ASN  19   5.822  10.248  -3.872
  139   HD22  ASN  19          2HD2      ASN  19   5.864  10.961  -5.443
  140    H    TYR  20           H        TYR  20   1.782   5.427  -4.413
  141    HA   TYR  20           HA       TYR  20   3.223   4.108  -2.234
  142    HB2  TYR  20          2HB       TYR  20   0.286   4.647  -2.468
  143    HB3  TYR  20          1HB       TYR  20   0.982   3.505  -1.369
  144    HD1  TYR  20          1HD       TYR  20   2.136   4.209   0.632
  145    HD2  TYR  20          2HD       TYR  20   0.559   7.090  -2.050
  146    HE1  TYR  20          1HE       TYR  20   2.384   5.908   2.351
  147    HE2  TYR  20          2HE       TYR  20   0.798   8.811  -0.336
  148    HH   TYR  20           HH       TYR  20   0.885   8.871   2.201
  149    H    THR  21           H        THR  21   2.550   1.854  -1.919
  150    HA   THR  21           HA       THR  21   1.175   0.427  -3.936
  151    HB   THR  21           HB       THR  21   3.219  -1.111  -3.879
  152    HG1  THR  21          1HG       THR  21   4.289   1.286  -3.025
  153   HG21  THR  21          1HG2      THR  21   3.236   1.352  -5.627
  154   HG22  THR  21          2HG2      THR  21   2.419  -0.173  -5.975
  155   HG23  THR  21          3HG2      THR  21   4.182  -0.100  -5.955
  156    H    CYS  22           H        CYS  22   0.298  -1.484  -2.788
  157    HA   CYS  22           HA       CYS  22   0.919  -1.240  -0.061
  158    HB2  CYS  22          2HB       CYS  22  -0.851  -2.936   0.241
  159    HB3  CYS  22          1HB       CYS  22  -1.362  -1.344  -0.325
  160    H    SER  23           H        SER  23   1.762  -2.450   1.265
  161    HA   SER  23           HA       SER  23   3.802  -4.220   0.356
  162    HB2  SER  23          2HB       SER  23   4.217  -2.599   2.118
  163    HB3  SER  23          1HB       SER  23   2.886  -3.235   3.069
  164    HG   SER  23           HG       SER  23   5.082  -3.842   3.667
  165    H    ARG  24           H        ARG  24   4.075  -6.355   1.311
  166    HA   ARG  24           HA       ARG  24   1.548  -7.745   1.874
  167    HB2  ARG  24          2HB       ARG  24   2.753  -8.575  -0.024
  168    HB3  ARG  24          1HB       ARG  24   4.210  -8.740   0.961
  169    HG2  ARG  24          2HG       ARG  24   3.189 -10.943   0.574
  170    HG3  ARG  24          1HG       ARG  24   3.125 -10.504   2.277
  171    HD2  ARG  24          2HD       ARG  24   1.027 -11.486   1.671
  172    HD3  ARG  24          1HD       ARG  24   0.766  -9.759   1.929
  173    HE   ARG  24           HE       ARG  24   1.285 -10.330  -0.781
  174   HH11  ARG  24          1HH1      ARG  24  -1.255 -10.754   1.669
  175   HH12  ARG  24          2HH1      ARG  24  -2.539 -10.515   0.548
  176   HH21  ARG  24          1HH2      ARG  24  -0.548 -10.139  -2.292
  177   HH22  ARG  24          2HH2      ARG  24  -2.149 -10.185  -1.711
  178    H    ARG  25           H        ARG  25   4.700  -6.913   3.016
  179    HA   ARG  25           HA       ARG  25   4.880  -8.611   5.250
  180    HB2  ARG  25          2HB       ARG  25   6.769  -7.367   4.278
  181    HB3  ARG  25          1HB       ARG  25   5.992  -5.859   4.728
  182    HG2  ARG  25          2HG       ARG  25   6.111  -6.566   7.071
  183    HG3  ARG  25          1HG       ARG  25   7.078  -7.955   6.527
  184    HD2  ARG  25          2HD       ARG  25   8.520  -6.118   7.308
  185    HD3  ARG  25          1HD       ARG  25   8.740  -6.431   5.584
  186    HE   ARG  25           HE       ARG  25   6.809  -4.369   6.229
  187   HH11  ARG  25          1HH1      ARG  25  10.219  -4.967   5.485
  188   HH12  ARG  25          2HH1      ARG  25  10.468  -3.388   4.888
  189   HH21  ARG  25          1HH2      ARG  25   7.134  -2.348   5.387
  190   HH22  ARG  25          2HH2      ARG  25   8.687  -1.846   4.810
  191    H    ASP  26           H        ASP  26   3.944  -5.298   4.738
  192    HA   ASP  26           HA       ASP  26   2.895  -5.017   7.424
  193    HB2  ASP  26          2HB       ASP  26   2.975  -3.000   5.221
  194    HB3  ASP  26          1HB       ASP  26   2.884  -2.747   6.952
  195    H    ARG  27           H        ARG  27   1.856  -5.590   4.139
  196    HA   ARG  27           HA       ARG  27   0.085  -5.310   2.964
  197    HB2  ARG  27          2HB       ARG  27  -1.392  -6.190   5.441
  198    HB3  ARG  27          1HB       ARG  27  -1.901  -6.229   3.745
  199    HG2  ARG  27          2HG       ARG  27  -0.100  -7.769   3.232
  200    HG3  ARG  27          1HG       ARG  27   0.314  -7.831   4.947
  201    HD2  ARG  27          2HD       ARG  27  -1.056  -9.720   4.480
  202    HD3  ARG  27          1HD       ARG  27  -2.035  -8.567   5.383
  203    HE   ARG  27           HE       ARG  27  -2.201  -8.565   2.466
  204   HH11  ARG  27          1HH1      ARG  27  -3.809  -9.123   5.590
  205   HH12  ARG  27          2HH1      ARG  27  -5.306  -9.501   4.923
  206   HH21  ARG  27          1HH2      ARG  27  -4.344  -9.171   1.523
  207   HH22  ARG  27          2HH2      ARG  27  -5.615  -9.507   2.586
  208    H    TRP  28           H        TRP  28   0.811  -2.882   4.582
  209    HA   TRP  28           HA       TRP  28  -1.726  -1.566   4.107
  210    HB2  TRP  28          2HB       TRP  28  -0.831   0.383   5.386
  211    HB3  TRP  28          1HB       TRP  28  -0.933  -1.084   6.316
  212    HD1  TRP  28           HD       TRP  28   2.137  -0.218   4.134
  213    HE1  TRP  28          1HE       TRP  28   4.156   0.106   5.774
  214    HE3  TRP  28          3HE       TRP  28  -0.362  -0.522   8.509
  215    HZ2  TRP  28          2HZ       TRP  28   4.558   0.251   8.540
  216    HZ3  TRP  28          3HZ       TRP  28   0.862  -0.270  10.619
  217    HH2  TRP  28           HH       TRP  28   3.291   0.115  10.630
  218    H    CYS  29           H        CYS  29  -1.197   0.815   3.349
  219    HA   CYS  29           HA       CYS  29  -0.033   0.399   0.721
  220    HB2  CYS  29          2HB       CYS  29  -2.278   1.498   1.234
  221    HB3  CYS  29          1HB       CYS  29  -1.362   2.839   1.893
  222    H    LYS  30           H        LYS  30   2.141   0.409   0.878
  223    HA   LYS  30           HA       LYS  30   3.434   2.208   2.721
  224    HB2  LYS  30          2HB       LYS  30   3.969  -0.240   2.585
  225    HB3  LYS  30          1HB       LYS  30   4.561   0.040   0.956
  226    HG2  LYS  30          2HG       LYS  30   6.195   1.615   1.855
  227    HG3  LYS  30          1HG       LYS  30   5.626   1.230   3.483
  228    HD2  LYS  30          2HD       LYS  30   7.607  -0.072   3.093
  229    HD3  LYS  30          1HD       LYS  30   6.228  -1.163   3.030
  230    HE2  LYS  30          2HE       LYS  30   7.776  -1.662   1.238
  231    HE3  LYS  30          1HE       LYS  30   6.267  -1.055   0.567
  232    HZ1  LYS  30          1HZ       LYS  30   7.391   1.154   0.265
  233    HZ2  LYS  30          2HZ       LYS  30   8.196  -0.095  -0.528
  234    HZ3  LYS  30          3HZ       LYS  30   8.797   0.466   0.905
  235    H    TYR  31           H        TYR  31   5.011   3.650   1.968
  236    HA   TYR  31           HA       TYR  31   4.450   4.894  -0.504
  237    HB2  TYR  31          2HB       TYR  31   5.469   5.880   1.693
  238    HB3  TYR  31          1HB       TYR  31   6.988   5.279   1.038
  239    HD1  TYR  31          1HD       TYR  31   4.379   7.792   0.741
  240    HD2  TYR  31          2HD       TYR  31   7.970   6.307  -0.993
  241    HE1  TYR  31          1HE       TYR  31   4.608   9.861  -0.538
  242    HE2  TYR  31          2HE       TYR  31   8.207   8.377  -2.277
  243    HH   TYR  31           HH       TYR  31   6.470  11.143  -1.590
  244    H    TYR  32           H        TYR  32   5.504   4.770  -2.383
  245    HA   TYR  32           HA       TYR  32   7.213   2.481  -2.795
  246    HB2  TYR  32          2HB       TYR  32   5.385   2.664  -4.327
  247    HB3  TYR  32          1HB       TYR  32   5.773   4.346  -4.664
  248    HD1  TYR  32          1HD       TYR  32   7.160   0.921  -5.011
  249    HD2  TYR  32          2HD       TYR  32   7.073   4.883  -6.488
  250    HE1  TYR  32          1HE       TYR  32   8.525   0.221  -6.946
  251    HE2  TYR  32          2HE       TYR  32   8.430   4.220  -8.416
  252    HH   TYR  32           HH       TYR  32  10.086   2.402  -8.918
  253    H    LEU  33           H        LEU  33   9.301   2.611  -3.220
  254    HA   LEU  33           HA       LEU  33  10.597   5.205  -3.207
  255    HB2  LEU  33          2HB       LEU  33  11.721   2.399  -3.174
  256    HB3  LEU  33          1HB       LEU  33  12.735   3.809  -3.330
  257    HG   LEU  33           HG       LEU  33  11.888   4.562  -1.080
  258   HD11  LEU  33          1HD1      LEU  33   9.837   3.313  -0.949
  259   HD12  LEU  33          2HD1      LEU  33  10.903   2.866   0.389
  260   HD13  LEU  33          3HD1      LEU  33  10.731   1.797  -1.004
  261   HD21  LEU  33          1HD2      LEU  33  13.312   1.916  -1.206
  262   HD22  LEU  33          2HD2      LEU  33  13.301   3.011   0.175
  263   HD23  LEU  33          3HD2      LEU  33  14.055   3.509  -1.340
  264    HN1  NH2  34          1H        LEU  33  10.167   6.101  -5.104
  265    HN2  NH2  34          2H        LEU  33  10.631   5.463  -6.646
  Start of MODEL    9
    1    H1   ASP   1          1HT       ASP   1  -8.944   9.916  -2.839
    2    H2   ASP   1          2HT       ASP   1 -10.031   9.383  -1.696
    3    H3   ASP   1          3HT       ASP   1 -10.612  10.129  -3.089
    4    HA   ASP   1           HA       ASP   1 -10.894   7.720  -3.199
    5    HB2  ASP   1          2HB       ASP   1  -8.538   8.589  -4.908
    6    HB3  ASP   1          1HB       ASP   1  -9.587   7.224  -5.230
    7    H    CYS   2           H        CYS   2  -9.143   5.827  -3.925
    8    HA   CYS   2           HA       CYS   2  -7.749   4.260  -3.139
    9    HB2  CYS   2          2HB       CYS   2  -5.480   4.919  -3.039
   10    HB3  CYS   2          1HB       CYS   2  -6.226   5.850  -4.288
   11    H    LEU   3           H        LEU   3  -5.694   4.412  -1.350
   12    HA   LEU   3           HA       LEU   3  -7.204   4.067   1.118
   13    HB2  LEU   3          2HB       LEU   3  -4.692   2.907   0.033
   14    HB3  LEU   3          1HB       LEU   3  -5.257   2.595   1.673
   15    HG   LEU   3           HG       LEU   3  -6.579   1.759  -0.915
   16   HD11  LEU   3          1HD1      LEU   3  -5.283   0.197   1.292
   17   HD12  LEU   3          2HD1      LEU   3  -4.643   0.448  -0.334
   18   HD13  LEU   3          3HD1      LEU   3  -6.118  -0.492  -0.097
   19   HD21  LEU   3          1HD2      LEU   3  -8.198   0.574   0.503
   20   HD22  LEU   3          2HD2      LEU   3  -8.295   2.318   0.714
   21   HD23  LEU   3          3HD2      LEU   3  -7.488   1.324   1.933
   22    H    GLY   4           H        GLY   4  -5.667   4.332   3.010
   23    HA2  GLY   4          2HA       GLY   4  -4.291   6.757   2.494
   24    HA3  GLY   4          1HA       GLY   4  -4.699   6.185   4.136
   25    H    TRP   5           H        TRP   5  -3.096   5.035   5.253
   26    HA   TRP   5           HA       TRP   5  -0.888   4.108   3.723
   27    HB2  TRP   5          2HB       TRP   5  -0.566   6.227   5.130
   28    HB3  TRP   5          1HB       TRP   5  -0.691   5.146   6.504
   29    HD1  TRP   5           HD       TRP   5   1.058   2.786   5.883
   30    HE1  TRP   5          1HE       TRP   5   3.609   2.952   5.463
   31    HE3  TRP   5          3HE       TRP   5   1.298   7.692   4.568
   32    HZ2  TRP   5          2HZ       TRP   5   5.456   4.947   4.661
   33    HZ3  TRP   5          3HZ       TRP   5   3.485   8.663   3.992
   34    HH2  TRP   5           HH       TRP   5   5.509   7.321   4.038
   35    H    PHE   6           H        PHE   6  -1.984   3.914   6.962
   36    HA   PHE   6           HA       PHE   6  -1.230   1.090   7.096
   37    HB2  PHE   6          2HB       PHE   6  -2.464   2.845   9.244
   38    HB3  PHE   6          1HB       PHE   6  -1.759   1.247   9.489
   39    HD1  PHE   6          1HD       PHE   6  -1.219   4.704   9.575
   40    HD2  PHE   6          2HD       PHE   6   0.717   1.007   8.780
   41    HE1  PHE   6          1HE       PHE   6   0.953   5.753   9.982
   42    HE2  PHE   6          2HE       PHE   6   2.892   2.056   9.190
   43    HZ   PHE   6           HZ       PHE   6   3.004   4.428   9.795
   44    H    LYS   7           H        LYS   7  -3.317   1.700   5.363
   45    HA   LYS   7           HA       LYS   7  -5.549   0.291   6.601
   46    HB2  LYS   7          2HB       LYS   7  -5.371   1.366   3.823
   47    HB3  LYS   7          1HB       LYS   7  -6.787   0.805   4.644
   48    HG2  LYS   7          2HG       LYS   7  -5.298   3.333   5.354
   49    HG3  LYS   7          1HG       LYS   7  -6.857   3.235   4.537
   50    HD2  LYS   7          2HD       LYS   7  -7.753   2.060   6.573
   51    HD3  LYS   7          1HD       LYS   7  -6.215   2.392   7.361
   52    HE2  LYS   7          2HE       LYS   7  -6.560   4.794   7.042
   53    HE3  LYS   7          1HE       LYS   7  -8.102   4.464   6.260
   54    HZ1  LYS   7          1HZ       LYS   7  -8.467   5.066   8.529
   55    HZ2  LYS   7          2HZ       LYS   7  -7.398   3.888   9.086
   56    HZ3  LYS   7          3HZ       LYS   7  -8.842   3.434   8.365
   57    H    SER   8           H        SER   8  -5.906  -1.762   5.982
   58    HA   SER   8           HA       SER   8  -3.777  -3.202   4.963
   59    HB2  SER   8          2HB       SER   8  -6.611  -4.036   5.374
   60    HB3  SER   8          1HB       SER   8  -5.141  -4.995   5.465
   61    HG   SER   8           HG       SER   8  -6.275  -3.960   7.477
   62    H    CYS   9           H        CYS   9  -3.648  -4.152   3.049
   63    HA   CYS   9           HA       CYS   9  -5.711  -3.811   1.043
   64    HB2  CYS   9          2HB       CYS   9  -4.537  -1.804   0.835
   65    HB3  CYS   9          1HB       CYS   9  -2.990  -2.676   0.850
   66    H    ASP  10           H        ASP  10  -5.006  -4.776  -0.884
   67    HA   ASP  10           HA       ASP  10  -3.395  -7.159  -0.322
   68    HB2  ASP  10          2HB       ASP  10  -5.883  -7.620  -0.527
   69    HB3  ASP  10          1HB       ASP  10  -5.728  -7.153  -2.221
   70    HA   PRO  11           HA       PRO  11  -0.795  -5.261  -3.243
   71    HB2  PRO  11          2HB       PRO  11   0.502  -7.645  -3.935
   72    HB3  PRO  11          1HB       PRO  11   1.020  -6.492  -2.692
   73    HG2  PRO  11          2HG       PRO  11  -0.453  -9.061  -2.426
   74    HG3  PRO  11          1HG       PRO  11   0.643  -8.254  -1.290
   75    HD2  PRO  11          2HD       PRO  11  -1.986  -8.349  -0.946
   76    HD3  PRO  11          1HD       PRO  11  -1.006  -6.969  -0.406
   77    H    LYS  12           H        LYS  12  -2.646  -8.078  -4.122
   78    HA   LYS  12           HA       LYS  12  -2.145  -7.628  -6.960
   79    HB2  LYS  12          2HB       LYS  12  -3.758  -9.756  -5.550
   80    HB3  LYS  12          1HB       LYS  12  -3.494  -9.686  -7.287
   81    HG2  LYS  12          2HG       LYS  12  -1.098  -9.952  -6.954
   82    HG3  LYS  12          1HG       LYS  12  -1.333  -9.973  -5.207
   83    HD2  LYS  12          2HD       LYS  12  -2.668 -12.006  -5.404
   84    HD3  LYS  12          1HD       LYS  12  -2.482 -11.959  -7.158
   85    HE2  LYS  12          2HE       LYS  12  -0.077 -12.223  -6.935
   86    HE3  LYS  12          1HE       LYS  12  -0.217 -12.216  -5.179
   87    HZ1  LYS  12          1HZ       LYS  12  -0.014 -14.457  -6.077
   88    HZ2  LYS  12          2HZ       LYS  12  -1.418 -14.271  -6.976
   89    HZ3  LYS  12          3HZ       LYS  12  -1.477 -14.262  -5.302
   90    H    ASN  13           H        ASN  13  -4.183  -6.442  -4.689
   91    HA   ASN  13           HA       ASN  13  -6.190  -5.642  -6.690
   92    HB2  ASN  13          2HB       ASN  13  -6.928  -7.531  -5.087
   93    HB3  ASN  13          1HB       ASN  13  -6.813  -6.328  -3.815
   94   HD21  ASN  13          1HD2      ASN  13  -9.115  -7.785  -4.629
   95   HD22  ASN  13          2HD2      ASN  13 -10.301  -6.651  -5.161
   96    H    ASP  14           H        ASP  14  -3.987  -4.372  -6.090
   97    HA   ASP  14           HA       ASP  14  -3.791  -2.718  -3.859
   98    HB2  ASP  14          2HB       ASP  14  -2.019  -3.163  -5.487
   99    HB3  ASP  14          1HB       ASP  14  -2.857  -2.102  -6.626
  100    H    LYS  15           H        LYS  15  -4.825  -1.108  -3.238
  101    HA   LYS  15           HA       LYS  15  -6.556   0.450  -5.034
  102    HB2  LYS  15          2HB       LYS  15  -6.869  -0.303  -2.146
  103    HB3  LYS  15          1HB       LYS  15  -7.852   0.905  -2.948
  104    HG2  LYS  15          2HG       LYS  15  -7.680  -2.022  -3.653
  105    HG3  LYS  15          1HG       LYS  15  -9.011  -1.233  -2.804
  106    HD2  LYS  15          2HD       LYS  15  -9.346   0.208  -4.812
  107    HD3  LYS  15          1HD       LYS  15  -8.125  -0.752  -5.649
  108    HE2  LYS  15          2HE       LYS  15 -10.340  -1.524  -6.231
  109    HE3  LYS  15          1HE       LYS  15  -9.491  -2.761  -5.304
  110    HZ1  LYS  15          1HZ       LYS  15 -11.796  -2.455  -4.591
  111    HZ2  LYS  15          2HZ       LYS  15 -11.466  -0.854  -4.178
  112    HZ3  LYS  15          3HZ       LYS  15 -10.714  -2.117  -3.345
  113    H    CYS  16           H        CYS  16  -3.687   0.862  -4.214
  114    HA   CYS  16           HA       CYS  16  -3.839   3.153  -2.481
  115    HB2  CYS  16          2HB       CYS  16  -1.580   1.717  -3.813
  116    HB3  CYS  16          1HB       CYS  16  -1.382   3.194  -2.873
  117    H    CYS  17           H        CYS  17  -3.024   5.220  -3.053
  118    HA   CYS  17           HA       CYS  17  -3.711   6.043  -5.627
  119    HB2  CYS  17          2HB       CYS  17  -2.653   7.302  -3.164
  120    HB3  CYS  17          1HB       CYS  17  -2.383   8.141  -4.661
  121    H    LYS  18           H        LYS  18  -2.029   7.664  -6.466
  122    HA   LYS  18           HA       LYS  18  -0.067   6.108  -7.731
  123    HB2  LYS  18          2HB       LYS  18  -1.119   7.979  -8.829
  124    HB3  LYS  18          1HB       LYS  18  -0.486   9.079  -7.614
  125    HG2  LYS  18          2HG       LYS  18   0.813   9.291  -9.549
  126    HG3  LYS  18          1HG       LYS  18   1.741   8.474  -8.276
  127    HD2  LYS  18          2HD       LYS  18   1.363   6.316  -9.323
  128    HD3  LYS  18          1HD       LYS  18   0.357   7.055 -10.569
  129    HE2  LYS  18          2HE       LYS  18   3.309   7.492 -10.119
  130    HE3  LYS  18          1HE       LYS  18   2.572   6.598 -11.442
  131    HZ1  LYS  18          1HZ       LYS  18   1.513   8.676 -12.168
  132    HZ2  LYS  18          2HZ       LYS  18   3.189   8.811 -12.161
  133    HZ3  LYS  18          3HZ       LYS  18   2.289   9.506 -10.924
  134    H    ASN  19           H        ASN  19   1.908   5.687  -7.158
  135    HA   ASN  19           HA       ASN  19   3.936   5.692  -6.266
  136    HB2  ASN  19          2HB       ASN  19   3.840   8.165  -6.776
  137    HB3  ASN  19          1HB       ASN  19   3.436   8.432  -5.088
  138   HD21  ASN  19          1HD2      ASN  19   4.996   8.206  -3.564
  139   HD22  ASN  19          2HD2      ASN  19   6.661   7.918  -3.874
  140    H    TYR  20           H        TYR  20   1.394   5.133  -4.920
  141    HA   TYR  20           HA       TYR  20   2.640   4.334  -2.410
  142    HB2  TYR  20          2HB       TYR  20  -0.268   4.892  -2.986
  143    HB3  TYR  20          1HB       TYR  20   0.316   4.106  -1.546
  144    HD1  TYR  20          1HD       TYR  20   1.045   5.358   0.329
  145    HD2  TYR  20          2HD       TYR  20   0.434   7.328  -3.392
  146    HE1  TYR  20          1HE       TYR  20   1.324   7.527   1.434
  147    HE2  TYR  20          2HE       TYR  20   0.706   9.487  -2.307
  148    HH   TYR  20           HH       TYR  20   0.514  10.459  -0.087
  149    H    THR  21           H        THR  21   1.890   2.200  -1.813
  150    HA   THR  21           HA       THR  21   0.685   0.517  -3.824
  151    HB   THR  21           HB       THR  21   3.485  -0.032  -2.980
  152    HG1  THR  21          1HG       THR  21   2.588   1.675  -4.898
  153   HG21  THR  21          1HG2      THR  21   1.825  -1.147  -5.232
  154   HG22  THR  21          2HG2      THR  21   2.212  -1.951  -3.713
  155   HG23  THR  21          3HG2      THR  21   3.491  -1.614  -4.884
  156    H    CYS  22           H        CYS  22  -0.105  -1.282  -2.713
  157    HA   CYS  22           HA       CYS  22   0.560  -1.200   0.030
  158    HB2  CYS  22          2HB       CYS  22  -1.140  -2.966   0.237
  159    HB3  CYS  22          1HB       CYS  22  -1.739  -1.352  -0.172
  160    H    SER  23           H        SER  23   1.861  -2.274   0.962
  161    HA   SER  23           HA       SER  23   3.522  -4.144  -0.437
  162    HB2  SER  23          2HB       SER  23   4.505  -2.451   1.036
  163    HB3  SER  23          1HB       SER  23   3.519  -3.001   2.370
  164    HG   SER  23           HG       SER  23   5.549  -3.829   2.611
  165    H    ARG  24           H        ARG  24   3.763  -6.357   0.216
  166    HA   ARG  24           HA       ARG  24   1.376  -7.433   1.504
  167    HB2  ARG  24          2HB       ARG  24   2.668  -8.310  -0.638
  168    HB3  ARG  24          1HB       ARG  24   3.663  -9.082   0.591
  169    HG2  ARG  24          2HG       ARG  24   0.679  -9.533   0.206
  170    HG3  ARG  24          1HG       ARG  24   1.956 -10.639  -0.281
  171    HD2  ARG  24          2HD       ARG  24   1.267  -9.791   2.522
  172    HD3  ARG  24          1HD       ARG  24   0.841 -11.325   1.777
  173    HE   ARG  24           HE       ARG  24   3.619 -10.968   1.605
  174   HH11  ARG  24          1HH1      ARG  24   1.143 -11.785   3.996
  175   HH12  ARG  24          2HH1      ARG  24   2.228 -12.576   5.049
  176   HH21  ARG  24          1HH2      ARG  24   5.097 -12.059   3.062
  177   HH22  ARG  24          2HH2      ARG  24   4.510 -12.723   4.517
  178    H    ARG  25           H        ARG  25   4.801  -6.959   1.873
  179    HA   ARG  25           HA       ARG  25   5.383  -8.533   4.096
  180    HB2  ARG  25          2HB       ARG  25   6.897  -7.124   2.517
  181    HB3  ARG  25          1HB       ARG  25   6.494  -5.769   3.548
  182    HG2  ARG  25          2HG       ARG  25   7.863  -8.285   4.447
  183    HG3  ARG  25          1HG       ARG  25   8.691  -6.808   3.992
  184    HD2  ARG  25          2HD       ARG  25   6.753  -7.118   6.289
  185    HD3  ARG  25          1HD       ARG  25   8.509  -7.091   6.422
  186    HE   ARG  25           HE       ARG  25   7.051  -4.764   5.344
  187   HH11  ARG  25          1HH1      ARG  25   9.321  -6.136   7.727
  188   HH12  ARG  25          2HH1      ARG  25   9.573  -4.647   8.512
  189   HH21  ARG  25          1HH2      ARG  25   7.372  -2.758   6.539
  190   HH22  ARG  25          2HH2      ARG  25   8.491  -2.719   7.826
  191    H    ASP  26           H        ASP  26   4.373  -5.160   3.800
  192    HA   ASP  26           HA       ASP  26   3.960  -4.837   6.613
  193    HB2  ASP  26          2HB       ASP  26   3.356  -2.969   4.323
  194    HB3  ASP  26          1HB       ASP  26   3.431  -2.581   6.019
  195    H    ARG  27           H        ARG  27   2.041  -5.671   3.775
  196    HA   ARG  27           HA       ARG  27   0.004  -5.923   3.276
  197    HB2  ARG  27          2HB       ARG  27  -0.387  -6.341   6.234
  198    HB3  ARG  27          1HB       ARG  27  -1.555  -6.603   4.920
  199    HG2  ARG  27          2HG       ARG  27   0.818  -7.975   4.273
  200    HG3  ARG  27          1HG       ARG  27   0.353  -8.422   5.910
  201    HD2  ARG  27          2HD       ARG  27  -0.628  -9.904   4.209
  202    HD3  ARG  27          1HD       ARG  27  -1.851  -9.062   5.152
  203    HE   ARG  27           HE       ARG  27  -1.546  -7.490   2.971
  204   HH11  ARG  27          1HH1      ARG  27  -2.041 -10.974   3.217
  205   HH12  ARG  27          2HH1      ARG  27  -3.129 -11.054   1.920
  206   HH21  ARG  27          1HH2      ARG  27  -3.156  -7.574   1.309
  207   HH22  ARG  27          2HH2      ARG  27  -3.764  -9.085   0.775
  208    H    TRP  28           H        TRP  28   0.894  -3.111   4.205
  209    HA   TRP  28           HA       TRP  28  -1.804  -2.093   4.054
  210    HB2  TRP  28          2HB       TRP  28  -1.134  -0.159   5.468
  211    HB3  TRP  28          1HB       TRP  28  -1.066  -1.694   6.266
  212    HD1  TRP  28           HD       TRP  28   1.684   0.198   4.288
  213    HE1  TRP  28          1HE       TRP  28   3.729   0.373   5.919
  214    HE3  TRP  28          3HE       TRP  28  -0.387  -1.995   8.256
  215    HZ2  TRP  28          2HZ       TRP  28   4.291  -0.356   8.587
  216    HZ3  TRP  28          3HZ       TRP  28   0.838  -2.240  10.305
  217    HH2  TRP  28           HH       TRP  28   3.182  -1.434  10.504
  218    H    CYS  29           H        CYS  29  -1.659   0.302   3.443
  219    HA   CYS  29           HA       CYS  29  -0.477   0.376   0.797
  220    HB2  CYS  29          2HB       CYS  29  -2.802   1.184   1.386
  221    HB3  CYS  29          1HB       CYS  29  -2.034   2.501   2.267
  222    H    LYS  30           H        LYS  30   1.649   0.663   0.882
  223    HA   LYS  30           HA       LYS  30   2.733   2.515   2.827
  224    HB2  LYS  30          2HB       LYS  30   3.344   0.126   2.848
  225    HB3  LYS  30          1HB       LYS  30   3.954   0.286   1.220
  226    HG2  LYS  30          2HG       LYS  30   5.677   1.704   1.931
  227    HG3  LYS  30          1HG       LYS  30   5.002   1.793   3.576
  228    HD2  LYS  30          2HD       LYS  30   5.276  -0.676   3.739
  229    HD3  LYS  30          1HD       LYS  30   6.091  -0.647   2.178
  230    HE2  LYS  30          2HE       LYS  30   7.868   0.694   3.087
  231    HE3  LYS  30          1HE       LYS  30   7.009   0.853   4.619
  232    HZ1  LYS  30          1HZ       LYS  30   7.146  -1.551   4.870
  233    HZ2  LYS  30          2HZ       LYS  30   8.677  -0.841   4.818
  234    HZ3  LYS  30          3HZ       LYS  30   8.083  -1.660   3.471
  235    H    TYR  31           H        TYR  31   3.929   4.212   2.129
  236    HA   TYR  31           HA       TYR  31   3.614   5.248  -0.471
  237    HB2  TYR  31          2HB       TYR  31   4.025   6.646   1.492
  238    HB3  TYR  31          1HB       TYR  31   5.619   5.905   1.653
  239    HD1  TYR  31          1HD       TYR  31   7.473   6.792   0.548
  240    HD2  TYR  31          2HD       TYR  31   3.575   8.123  -0.505
  241    HE1  TYR  31          1HE       TYR  31   8.459   8.594  -0.763
  242    HE2  TYR  31          2HE       TYR  31   4.552   9.934  -1.832
  243    HH   TYR  31           HH       TYR  31   6.646  11.193  -1.918
  244    H    TYR  32           H        TYR  32   4.747   4.975  -2.232
  245    HA   TYR  32           HA       TYR  32   6.788   2.962  -2.266
  246    HB2  TYR  32          2HB       TYR  32   5.136   2.677  -3.890
  247    HB3  TYR  32          1HB       TYR  32   5.106   4.395  -4.255
  248    HD1  TYR  32          1HD       TYR  32   7.190   1.384  -4.580
  249    HD2  TYR  32          2HD       TYR  32   6.252   5.224  -6.008
  250    HE1  TYR  32          1HE       TYR  32   8.647   0.987  -6.538
  251    HE2  TYR  32          2HE       TYR  32   7.690   4.879  -7.989
  252    HH   TYR  32           HH       TYR  32   8.877   1.823  -8.811
  253    H    LEU  33           H        LEU  33   8.826   3.279  -2.630
  254    HA   LEU  33           HA       LEU  33   9.798   6.011  -3.075
  255    HB2  LEU  33          2HB       LEU  33  11.189   3.626  -1.826
  256    HB3  LEU  33          1HB       LEU  33  12.055   5.059  -2.319
  257    HG   LEU  33           HG       LEU  33  11.763   5.132   0.033
  258   HD11  LEU  33          1HD1      LEU  33  10.547   7.207   0.375
  259   HD12  LEU  33          2HD1      LEU  33   9.858   7.059  -1.241
  260   HD13  LEU  33          3HD1      LEU  33  11.600   7.256  -1.038
  261   HD21  LEU  33          1HD2      LEU  33   9.888   3.609   0.301
  262   HD22  LEU  33          2HD2      LEU  33   8.798   4.798  -0.411
  263   HD23  LEU  33          3HD2      LEU  33   9.571   5.127   1.141
  264    HN1  NH2  34          1H        LEU  33  11.532   3.031  -3.669
  265    HN2  NH2  34          2H        LEU  33  11.691   3.244  -5.373
  Start of MODEL   10
    1    H1   ASP   1          1HT       ASP   1 -11.306   5.933  -6.287
    2    H2   ASP   1          2HT       ASP   1 -12.760   6.473  -5.646
    3    H3   ASP   1          3HT       ASP   1 -12.189   4.910  -5.306
    4    HA   ASP   1           HA       ASP   1 -10.824   7.408  -4.500
    5    HB2  ASP   1          2HB       ASP   1 -11.440   6.844  -2.223
    6    HB3  ASP   1          1HB       ASP   1 -12.907   6.936  -3.186
    7    H    CYS   2           H        CYS   2  -9.203   6.700  -2.671
    8    HA   CYS   2           HA       CYS   2  -8.094   4.131  -3.374
    9    HB2  CYS   2          2HB       CYS   2  -5.805   5.155  -3.390
   10    HB3  CYS   2          1HB       CYS   2  -6.796   5.562  -4.768
   11    H    LEU   3           H        LEU   3  -5.934   4.082  -1.879
   12    HA   LEU   3           HA       LEU   3  -6.965   4.418   0.840
   13    HB2  LEU   3          2HB       LEU   3  -5.150   2.307  -0.286
   14    HB3  LEU   3          1HB       LEU   3  -5.628   2.434   1.391
   15    HG   LEU   3           HG       LEU   3  -7.398   1.726  -0.948
   16   HD11  LEU   3          1HD1      LEU   3  -5.934  -0.063  -0.231
   17   HD12  LEU   3          2HD1      LEU   3  -7.608  -0.420   0.192
   18   HD13  LEU   3          3HD1      LEU   3  -6.483   0.129   1.433
   19   HD21  LEU   3          1HD2      LEU   3  -8.650   3.064   0.642
   20   HD22  LEU   3          2HD2      LEU   3  -8.114   2.030   1.968
   21   HD23  LEU   3          3HD2      LEU   3  -9.166   1.381   0.706
   22    H    GLY   4           H        GLY   4  -5.564   5.383   2.281
   23    HA2  GLY   4          2HA       GLY   4  -3.123   6.255   1.154
   24    HA3  GLY   4          1HA       GLY   4  -3.836   6.812   2.682
   25    H    TRP   5           H        TRP   5  -1.806   6.398   3.631
   26    HA   TRP   5           HA       TRP   5  -0.334   4.087   3.268
   27    HB2  TRP   5          2HB       TRP   5   0.552   6.301   4.132
   28    HB3  TRP   5          1HB       TRP   5  -0.078   5.813   5.702
   29    HD1  TRP   5           HD       TRP   5   0.862   2.923   5.980
   30    HE1  TRP   5          1HE       TRP   5   3.340   2.262   6.112
   31    HE3  TRP   5          3HE       TRP   5   2.870   7.048   3.787
   32    HZ2  TRP   5          2HZ       TRP   5   5.849   3.381   5.369
   33    HZ3  TRP   5          3HZ       TRP   5   5.310   7.186   3.532
   34    HH2  TRP   5           HH       TRP   5   6.762   5.390   4.306
   35    H    PHE   6           H        PHE   6  -2.013   4.928   6.105
   36    HA   PHE   6           HA       PHE   6  -1.666   2.170   7.032
   37    HB2  PHE   6          2HB       PHE   6  -2.833   4.584   8.402
   38    HB3  PHE   6          1HB       PHE   6  -2.562   3.022   9.208
   39    HD1  PHE   6          1HD       PHE   6  -1.312   6.228   8.449
   40    HD2  PHE   6          2HD       PHE   6  -0.100   2.227   9.213
   41    HE1  PHE   6          1HE       PHE   6   0.933   7.024   9.019
   42    HE2  PHE   6          2HE       PHE   6   2.150   3.020   9.789
   43    HZ   PHE   6           HZ       PHE   6   2.661   5.421   9.690
   44    H    LYS   7           H        LYS   7  -3.138   2.112   4.955
   45    HA   LYS   7           HA       LYS   7  -5.706   1.140   6.030
   46    HB2  LYS   7          2HB       LYS   7  -4.929   1.769   3.209
   47    HB3  LYS   7          1HB       LYS   7  -6.467   1.180   3.738
   48    HG2  LYS   7          2HG       LYS   7  -5.475   3.877   4.626
   49    HG3  LYS   7          1HG       LYS   7  -6.306   3.672   3.090
   50    HD2  LYS   7          2HD       LYS   7  -8.020   4.301   4.523
   51    HD3  LYS   7          1HD       LYS   7  -8.154   2.555   4.502
   52    HE2  LYS   7          2HE       LYS   7  -8.417   3.385   6.756
   53    HE3  LYS   7          1HE       LYS   7  -6.929   2.457   6.659
   54    HZ1  LYS   7          1HZ       LYS   7  -6.601   4.467   7.897
   55    HZ2  LYS   7          2HZ       LYS   7  -7.161   5.420   6.625
   56    HZ3  LYS   7          3HZ       LYS   7  -5.719   4.595   6.470
   57    H    SER   8           H        SER   8  -6.009  -1.019   5.548
   58    HA   SER   8           HA       SER   8  -3.577  -2.314   4.733
   59    HB2  SER   8          2HB       SER   8  -4.871  -3.228   6.630
   60    HB3  SER   8          1HB       SER   8  -6.170  -3.651   5.475
   61    HG   SER   8           HG       SER   8  -3.488  -4.504   5.259
   62    H    CYS   9           H        CYS   9  -3.467  -3.621   3.147
   63    HA   CYS   9           HA       CYS   9  -5.411  -3.740   1.035
   64    HB2  CYS   9          2HB       CYS   9  -4.725  -1.543   0.736
   65    HB3  CYS   9          1HB       CYS   9  -3.015  -1.999   0.824
   66    H    ASP  10           H        ASP  10  -4.271  -4.594  -0.887
   67    HA   ASP  10           HA       ASP  10  -2.100  -6.412  -0.134
   68    HB2  ASP  10          2HB       ASP  10  -4.306  -7.597   0.047
   69    HB3  ASP  10          1HB       ASP  10  -4.500  -7.355  -1.687
   70    HA   PRO  11           HA       PRO  11  -0.272  -4.742  -3.749
   71    HB2  PRO  11          2HB       PRO  11   1.105  -7.089  -4.445
   72    HB3  PRO  11          1HB       PRO  11   1.701  -5.777  -3.420
   73    HG2  PRO  11          2HG       PRO  11   0.444  -8.375  -2.621
   74    HG3  PRO  11          1HG       PRO  11   1.771  -7.469  -1.870
   75    HD2  PRO  11          2HD       PRO  11  -0.628  -7.482  -0.827
   76    HD3  PRO  11          1HD       PRO  11   0.329  -5.981  -0.849
   77    H    LYS  12           H        LYS  12  -1.900  -7.859  -3.912
   78    HA   LYS  12           HA       LYS  12  -1.975  -7.772  -6.818
   79    HB2  LYS  12          2HB       LYS  12  -3.115  -9.779  -4.870
   80    HB3  LYS  12          1HB       LYS  12  -3.112  -9.957  -6.620
   81    HG2  LYS  12          2HG       LYS  12  -0.641  -9.711  -4.916
   82    HG3  LYS  12          1HG       LYS  12  -1.318 -11.230  -5.507
   83    HD2  LYS  12          2HD       LYS  12  -0.953 -10.564  -7.782
   84    HD3  LYS  12          1HD       LYS  12  -0.446  -8.955  -7.286
   85    HE2  LYS  12          2HE       LYS  12   0.980 -11.505  -6.551
   86    HE3  LYS  12          1HE       LYS  12   1.434 -10.460  -7.895
   87    HZ1  LYS  12          1HZ       LYS  12   1.807  -8.669  -6.266
   88    HZ2  LYS  12          2HZ       LYS  12   2.792  -9.983  -6.030
   89    HZ3  LYS  12          3HZ       LYS  12   1.492  -9.749  -4.999
   90    H    ASN  13           H        ASN  13  -3.683  -6.411  -4.378
   91    HA   ASN  13           HA       ASN  13  -5.991  -5.990  -6.110
   92    HB2  ASN  13          2HB       ASN  13  -6.357  -7.800  -4.366
   93    HB3  ASN  13          1HB       ASN  13  -6.123  -6.569  -3.143
   94   HD21  ASN  13          1HD2      ASN  13  -8.210  -7.668  -5.683
   95   HD22  ASN  13          2HD2      ASN  13  -9.594  -6.754  -5.201
   96    H    ASP  14           H        ASP  14  -3.855  -4.458  -5.917
   97    HA   ASP  14           HA       ASP  14  -3.604  -2.568  -3.855
   98    HB2  ASP  14          2HB       ASP  14  -1.900  -2.913  -5.581
   99    HB3  ASP  14          1HB       ASP  14  -2.976  -2.145  -6.760
  100    H    LYS  15           H        LYS  15  -4.701  -0.953  -3.282
  101    HA   LYS  15           HA       LYS  15  -6.552   0.408  -5.120
  102    HB2  LYS  15          2HB       LYS  15  -6.873  -0.279  -2.212
  103    HB3  LYS  15          1HB       LYS  15  -7.839   0.927  -3.022
  104    HG2  LYS  15          2HG       LYS  15  -8.662  -0.897  -4.545
  105    HG3  LYS  15          1HG       LYS  15  -7.782  -2.050  -3.531
  106    HD2  LYS  15          2HD       LYS  15  -9.070  -1.364  -1.582
  107    HD3  LYS  15          1HD       LYS  15  -9.903  -0.142  -2.531
  108    HE2  LYS  15          2HE       LYS  15 -11.372  -2.006  -2.265
  109    HE3  LYS  15          1HE       LYS  15 -10.842  -1.968  -3.940
  110    HZ1  LYS  15          1HZ       LYS  15  -9.278  -3.774  -3.444
  111    HZ2  LYS  15          2HZ       LYS  15 -10.826  -4.214  -2.987
  112    HZ3  LYS  15          3HZ       LYS  15  -9.741  -3.725  -1.824
  113    H    CYS  16           H        CYS  16  -3.728   0.920  -4.346
  114    HA   CYS  16           HA       CYS  16  -3.797   2.967  -2.351
  115    HB2  CYS  16          2HB       CYS  16  -1.666   1.689  -3.950
  116    HB3  CYS  16          1HB       CYS  16  -1.367   3.173  -3.041
  117    H    CYS  17           H        CYS  17  -3.078   5.129  -2.537
  118    HA   CYS  17           HA       CYS  17  -3.973   6.434  -4.812
  119    HB2  CYS  17          2HB       CYS  17  -2.433   7.370  -2.390
  120    HB3  CYS  17          1HB       CYS  17  -3.225   8.399  -3.566
  121    H    LYS  18           H        LYS  18  -2.290   8.364  -5.269
  122    HA   LYS  18           HA       LYS  18  -0.390   7.379  -7.019
  123    HB2  LYS  18          2HB       LYS  18  -1.493   9.511  -7.277
  124    HB3  LYS  18          1HB       LYS  18  -0.734  10.104  -5.809
  125    HG2  LYS  18          2HG       LYS  18   0.397  10.999  -7.654
  126    HG3  LYS  18          1HG       LYS  18   1.422   9.790  -6.852
  127    HD2  LYS  18          2HD       LYS  18   0.889   8.151  -8.560
  128    HD3  LYS  18          1HD       LYS  18  -0.210   9.287  -9.344
  129    HE2  LYS  18          2HE       LYS  18   2.753   9.690  -8.994
  130    HE3  LYS  18          1HE       LYS  18   1.990   9.119 -10.476
  131    HZ1  LYS  18          1HZ       LYS  18   2.466  11.464 -10.571
  132    HZ2  LYS  18          2HZ       LYS  18   1.537  11.778  -9.205
  133    HZ3  LYS  18          3HZ       LYS  18   0.810  11.221 -10.620
  134    H    ASN  19           H        ASN  19   1.582   6.755  -6.775
  135    HA   ASN  19           HA       ASN  19   3.700   6.416  -6.119
  136    HB2  ASN  19          2HB       ASN  19   3.487   8.993  -5.613
  137    HB3  ASN  19          1HB       ASN  19   3.554   8.475  -3.942
  138   HD21  ASN  19          1HD2      ASN  19   5.381   6.244  -4.625
  139   HD22  ASN  19          2HD2      ASN  19   6.934   6.920  -4.865
  140    H    TYR  20           H        TYR  20   1.183   5.562  -4.555
  141    HA   TYR  20           HA       TYR  20   2.678   4.305  -2.385
  142    HB2  TYR  20          2HB       TYR  20  -0.250   4.903  -2.637
  143    HB3  TYR  20          1HB       TYR  20   0.408   3.825  -1.441
  144    HD1  TYR  20          1HD       TYR  20   1.275   4.631   0.595
  145    HD2  TYR  20          2HD       TYR  20   0.440   7.368  -2.545
  146    HE1  TYR  20          1HE       TYR  20   1.586   6.487   2.146
  147    HE2  TYR  20          2HE       TYR  20   0.751   9.236  -1.012
  148    HH   TYR  20           HH       TYR  20   0.631   9.654   1.366
  149    H    THR  21           H        THR  21   2.012   2.151  -1.919
  150    HA   THR  21           HA       THR  21   0.613   0.569  -3.845
  151    HB   THR  21           HB       THR  21   3.505   0.146  -3.331
  152    HG1  THR  21          1HG       THR  21   2.448   1.719  -5.132
  153   HG21  THR  21          1HG2      THR  21   1.597  -1.441  -5.045
  154   HG22  THR  21          2HG2      THR  21   2.399  -1.959  -3.568
  155   HG23  THR  21          3HG2      THR  21   3.343  -1.694  -5.032
  156    H    CYS  22           H        CYS  22  -0.072  -1.184  -2.737
  157    HA   CYS  22           HA       CYS  22   0.663  -1.095  -0.023
  158    HB2  CYS  22          2HB       CYS  22  -1.122  -2.880   0.182
  159    HB3  CYS  22          1HB       CYS  22  -1.579  -1.194  -0.130
  160    H    SER  23           H        SER  23   1.576  -2.388   1.168
  161    HA   SER  23           HA       SER  23   3.621  -3.969  -0.033
  162    HB2  SER  23          2HB       SER  23   4.120  -2.446   1.777
  163    HB3  SER  23          1HB       SER  23   2.913  -3.203   2.804
  164    HG   SER  23           HG       SER  23   5.490  -3.899   2.262
  165    H    ARG  24           H        ARG  24   4.071  -6.113   0.684
  166    HA   ARG  24           HA       ARG  24   1.717  -7.683   1.436
  167    HB2  ARG  24          2HB       ARG  24   2.942  -8.223  -0.646
  168    HB3  ARG  24          1HB       ARG  24   4.351  -8.503   0.373
  169    HG2  ARG  24          2HG       ARG  24   3.301 -10.633  -0.265
  170    HG3  ARG  24          1HG       ARG  24   3.256 -10.366   1.474
  171    HD2  ARG  24          2HD       ARG  24   0.887  -9.599   1.241
  172    HD3  ARG  24          1HD       ARG  24   0.961 -10.008  -0.477
  173    HE   ARG  24           HE       ARG  24   1.821 -12.190   1.002
  174   HH11  ARG  24          1HH1      ARG  24  -1.348 -10.582   0.250
  175   HH12  ARG  24          2HH1      ARG  24  -2.200 -11.932   0.752
  176   HH21  ARG  24          1HH2      ARG  24   0.527 -13.976   1.616
  177   HH22  ARG  24          2HH2      ARG  24  -1.172 -13.898   1.497
  178    H    ARG  25           H        ARG  25   4.946  -6.690   2.210
  179    HA   ARG  25           HA       ARG  25   5.569  -8.395   4.339
  180    HB2  ARG  25          2HB       ARG  25   7.048  -6.823   3.008
  181    HB3  ARG  25          1HB       ARG  25   6.289  -5.494   3.830
  182    HG2  ARG  25          2HG       ARG  25   7.954  -7.616   5.160
  183    HG3  ARG  25          1HG       ARG  25   8.574  -6.076   4.583
  184    HD2  ARG  25          2HD       ARG  25   8.277  -5.661   6.862
  185    HD3  ARG  25          1HD       ARG  25   6.760  -5.073   6.193
  186    HE   ARG  25           HE       ARG  25   6.558  -7.789   6.896
  187   HH11  ARG  25          1HH1      ARG  25   6.184  -4.542   8.215
  188   HH12  ARG  25          2HH1      ARG  25   5.673  -5.080   9.740
  189   HH21  ARG  25          1HH2      ARG  25   5.731  -8.504   8.938
  190   HH22  ARG  25          2HH2      ARG  25   5.355  -7.384  10.148
  191    H    ASP  26           H        ASP  26   4.270  -5.078   4.180
  192    HA   ASP  26           HA       ASP  26   3.507  -5.229   6.953
  193    HB2  ASP  26          2HB       ASP  26   3.368  -2.973   4.978
  194    HB3  ASP  26          1HB       ASP  26   2.971  -2.907   6.671
  195    H    ARG  27           H        ARG  27   2.122  -5.401   3.743
  196    HA   ARG  27           HA       ARG  27   0.189  -5.144   2.857
  197    HB2  ARG  27          2HB       ARG  27  -0.873  -6.431   5.365
  198    HB3  ARG  27          1HB       ARG  27  -1.553  -6.417   3.724
  199    HG2  ARG  27          2HG       ARG  27   0.439  -7.587   2.922
  200    HG3  ARG  27          1HG       ARG  27   0.981  -7.755   4.591
  201    HD2  ARG  27          2HD       ARG  27  -0.067  -9.778   4.009
  202    HD3  ARG  27          1HD       ARG  27  -1.218  -8.912   5.029
  203    HE   ARG  27           HE       ARG  27  -1.385  -8.854   2.090
  204   HH11  ARG  27          1HH1      ARG  27  -2.965  -9.203   5.240
  205   HH12  ARG  27          2HH1      ARG  27  -4.466  -9.645   4.587
  206   HH21  ARG  27          1HH2      ARG  27  -3.398  -9.455   1.197
  207   HH22  ARG  27          2HH2      ARG  27  -4.743  -9.798   2.207
  208    H    TRP  28           H        TRP  28   0.997  -2.868   4.541
  209    HA   TRP  28           HA       TRP  28  -1.623  -1.547   4.417
  210    HB2  TRP  28          2HB       TRP  28  -0.540   0.391   5.555
  211    HB3  TRP  28          1HB       TRP  28  -0.539  -1.052   6.536
  212    HD1  TRP  28           HD       TRP  28   2.281  -0.552   3.949
  213    HE1  TRP  28          1HE       TRP  28   4.456  -0.155   5.307
  214    HE3  TRP  28          3HE       TRP  28   0.359  -0.086   8.622
  215    HZ2  TRP  28          2HZ       TRP  28   5.238   0.332   7.782
  216    HZ3  TRP  28          3HZ       TRP  28   1.907   0.382  10.498
  217    HH2  TRP  28           HH       TRP  28   4.324   0.592  10.098
  218    H    CYS  29           H        CYS  29  -1.283   0.771   3.526
  219    HA   CYS  29           HA       CYS  29  -0.189   0.365   0.873
  220    HB2  CYS  29          2HB       CYS  29  -2.428   1.367   1.268
  221    HB3  CYS  29          1HB       CYS  29  -1.633   2.719   2.064
  222    H    LYS  30           H        LYS  30   1.880   0.497   0.807
  223    HA   LYS  30           HA       LYS  30   3.360   2.120   2.658
  224    HB2  LYS  30          2HB       LYS  30   3.686  -0.318   2.159
  225    HB3  LYS  30          1HB       LYS  30   4.157   0.138   0.541
  226    HG2  LYS  30          2HG       LYS  30   5.985  -0.428   2.015
  227    HG3  LYS  30          1HG       LYS  30   6.121   1.254   1.409
  228    HD2  LYS  30          2HD       LYS  30   5.519   2.067   3.511
  229    HD3  LYS  30          1HD       LYS  30   4.891   0.492   3.999
  230    HE2  LYS  30          2HE       LYS  30   7.801   1.171   3.508
  231    HE3  LYS  30          1HE       LYS  30   7.042   0.998   5.089
  232    HZ1  LYS  30          1HZ       LYS  30   6.620  -1.388   4.562
  233    HZ2  LYS  30          2HZ       LYS  30   8.237  -1.016   4.482
  234    HZ3  LYS  30          3HZ       LYS  30   7.361  -1.166   3.065
  235    H    TYR  31           H        TYR  31   4.735   3.771   1.883
  236    HA   TYR  31           HA       TYR  31   4.048   4.984  -0.602
  237    HB2  TYR  31          2HB       TYR  31   5.033   6.105   1.532
  238    HB3  TYR  31          1HB       TYR  31   6.569   5.481   0.913
  239    HD1  TYR  31          1HD       TYR  31   3.773   7.761   0.164
  240    HD2  TYR  31          2HD       TYR  31   7.726   6.575  -0.852
  241    HE1  TYR  31          1HE       TYR  31   3.986   9.740  -1.256
  242    HE2  TYR  31          2HE       TYR  31   7.957   8.546  -2.278
  243    HH   TYR  31           HH       TYR  31   6.432  10.079  -3.513
  244    H    TYR  32           H        TYR  32   4.829   4.435  -2.516
  245    HA   TYR  32           HA       TYR  32   6.611   2.232  -2.651
  246    HB2  TYR  32          2HB       TYR  32   4.722   2.380  -4.182
  247    HB3  TYR  32          1HB       TYR  32   5.364   3.878  -4.852
  248    HD1  TYR  32          1HD       TYR  32   6.102   0.296  -4.416
  249    HD2  TYR  32          2HD       TYR  32   6.900   3.832  -6.577
  250    HE1  TYR  32          1HE       TYR  32   7.427  -1.016  -6.027
  251    HE2  TYR  32          2HE       TYR  32   8.220   2.574  -8.215
  252    HH   TYR  32           HH       TYR  32   8.222  -0.831  -8.361
  253    H    LEU  33           H        LEU  33   8.667   2.255  -2.921
  254    HA   LEU  33           HA       LEU  33  10.010   4.807  -3.346
  255    HB2  LEU  33          2HB       LEU  33  11.141   2.166  -2.428
  256    HB3  LEU  33          1HB       LEU  33  12.004   3.691  -2.482
  257    HG   LEU  33           HG       LEU  33   9.667   3.029  -0.695
  258   HD11  LEU  33          1HD1      LEU  33  11.699   1.914  -0.010
  259   HD12  LEU  33          2HD1      LEU  33  11.291   3.207   1.118
  260   HD13  LEU  33          3HD1      LEU  33  12.578   3.441  -0.062
  261   HD21  LEU  33          1HD2      LEU  33  11.307   5.559  -0.888
  262   HD22  LEU  33          2HD2      LEU  33  10.113   5.207   0.362
  263   HD23  LEU  33          3HD2      LEU  33   9.605   5.377  -1.316
  264    HN1  NH2  34          1H        LEU  33   9.895   5.055  -5.489
  265    HN2  NH2  34          2H        LEU  33  10.623   4.014  -6.664
  Start of MODEL   11
    1    H1   ASP   1          1HT       ASP   1 -13.137   5.112  -4.554
    2    H2   ASP   1          2HT       ASP   1 -12.374   4.105  -3.419
    3    H3   ASP   1          3HT       ASP   1 -11.929   4.026  -5.020
    4    HA   ASP   1           HA       ASP   1 -10.996   6.198  -4.939
    5    HB2  ASP   1          2HB       ASP   1 -11.885   6.108  -2.044
    6    HB3  ASP   1          1HB       ASP   1 -10.785   7.311  -2.704
    7    H    CYS   2           H        CYS   2  -8.814   6.523  -4.084
    8    HA   CYS   2           HA       CYS   2  -7.561   3.993  -3.632
    9    HB2  CYS   2          2HB       CYS   2  -5.439   5.296  -3.625
   10    HB3  CYS   2          1HB       CYS   2  -6.384   5.545  -5.061
   11    H    LEU   3           H        LEU   3  -5.569   4.285  -2.043
   12    HA   LEU   3           HA       LEU   3  -6.800   4.673   0.580
   13    HB2  LEU   3          2HB       LEU   3  -4.572   2.868  -0.305
   14    HB3  LEU   3          1HB       LEU   3  -5.153   3.009   1.345
   15    HG   LEU   3           HG       LEU   3  -6.668   1.878  -1.012
   16   HD11  LEU   3          1HD1      LEU   3  -6.542  -0.212   0.233
   17   HD12  LEU   3          2HD1      LEU   3  -5.566   0.584   1.467
   18   HD13  LEU   3          3HD1      LEU   3  -4.944   0.409  -0.174
   19   HD21  LEU   3          1HD2      LEU   3  -8.409   1.297   0.622
   20   HD22  LEU   3          2HD2      LEU   3  -8.204   3.040   0.473
   21   HD23  LEU   3          3HD2      LEU   3  -7.531   2.188   1.864
   22    H    GLY   4           H        GLY   4  -5.134   5.199   2.237
   23    HA2  GLY   4          2HA       GLY   4  -3.313   7.035   1.028
   24    HA3  GLY   4          1HA       GLY   4  -3.825   7.122   2.730
   25    H    TRP   5           H        TRP   5  -2.755   5.634   4.277
   26    HA   TRP   5           HA       TRP   5  -0.542   4.282   3.127
   27    HB2  TRP   5          2HB       TRP   5  -0.066   6.488   4.250
   28    HB3  TRP   5          1HB       TRP   5  -0.518   5.703   5.741
   29    HD1  TRP   5           HD       TRP   5   1.001   2.985   5.554
   30    HE1  TRP   5          1HE       TRP   5   3.566   2.880   5.663
   31    HE3  TRP   5          3HE       TRP   5   2.044   7.757   4.121
   32    HZ2  TRP   5          2HZ       TRP   5   5.759   4.626   5.195
   33    HZ3  TRP   5          3HZ       TRP   5   4.394   8.472   3.978
   34    HH2  TRP   5           HH       TRP   5   6.210   6.926   4.507
   35    H    PHE   6           H        PHE   6  -1.812   4.523   6.295
   36    HA   PHE   6           HA       PHE   6  -1.244   1.720   6.783
   37    HB2  PHE   6          2HB       PHE   6  -2.484   3.777   8.627
   38    HB3  PHE   6          1HB       PHE   6  -1.892   2.183   9.103
   39    HD1  PHE   6          1HD       PHE   6   0.550   1.690   8.770
   40    HD2  PHE   6          2HD       PHE   6  -1.105   5.593   8.552
   41    HE1  PHE   6          1HE       PHE   6   2.767   2.643   9.136
   42    HE2  PHE   6          2HE       PHE   6   1.122   6.557   8.917
   43    HZ   PHE   6           HZ       PHE   6   3.052   5.078   9.210
   44    H    LYS   7           H        LYS   7  -3.262   2.198   4.904
   45    HA   LYS   7           HA       LYS   7  -5.617   1.061   6.225
   46    HB2  LYS   7          2HB       LYS   7  -5.284   1.976   3.382
   47    HB3  LYS   7          1HB       LYS   7  -6.743   1.348   4.081
   48    HG2  LYS   7          2HG       LYS   7  -5.421   3.928   4.925
   49    HG3  LYS   7          1HG       LYS   7  -6.864   3.788   3.920
   50    HD2  LYS   7          2HD       LYS   7  -8.034   2.668   5.782
   51    HD3  LYS   7          1HD       LYS   7  -6.592   2.845   6.778
   52    HE2  LYS   7          2HE       LYS   7  -8.160   4.577   7.352
   53    HE3  LYS   7          1HE       LYS   7  -6.775   5.301   6.541
   54    HZ1  LYS   7          1HZ       LYS   7  -8.116   5.384   4.486
   55    HZ2  LYS   7          2HZ       LYS   7  -8.815   6.250   5.730
   56    HZ3  LYS   7          3HZ       LYS   7  -9.431   4.742   5.318
   57    H    SER   8           H        SER   8  -6.391  -0.947   5.537
   58    HA   SER   8           HA       SER   8  -4.365  -2.798   5.060
   59    HB2  SER   8          2HB       SER   8  -7.287  -3.252   4.932
   60    HB3  SER   8          1HB       SER   8  -6.003  -4.276   5.552
   61    HG   SER   8           HG       SER   8  -5.626  -2.673   7.198
   62    H    CYS   9           H        CYS   9  -3.925  -3.782   3.242
   63    HA   CYS   9           HA       CYS   9  -5.692  -3.854   0.968
   64    HB2  CYS   9          2HB       CYS   9  -4.778  -1.704   0.762
   65    HB3  CYS   9          1HB       CYS   9  -3.125  -2.340   0.871
   66    H    ASP  10           H        ASP  10  -4.361  -4.785  -0.878
   67    HA   ASP  10           HA       ASP  10  -2.340  -6.670   0.056
   68    HB2  ASP  10          2HB       ASP  10  -4.568  -7.803   0.115
   69    HB3  ASP  10          1HB       ASP  10  -4.654  -7.596  -1.628
   70    HA   PRO  11           HA       PRO  11  -0.280  -5.211  -3.586
   71    HB2  PRO  11          2HB       PRO  11   1.026  -7.706  -4.001
   72    HB3  PRO  11          1HB       PRO  11   1.676  -6.285  -3.159
   73    HG2  PRO  11          2HG       PRO  11   0.403  -8.733  -2.079
   74    HG3  PRO  11          1HG       PRO  11   1.655  -7.656  -1.402
   75    HD2  PRO  11          2HD       PRO  11  -0.825  -7.716  -0.506
   76    HD3  PRO  11          1HD       PRO  11   0.111  -6.204  -0.565
   77    H    LYS  12           H        LYS  12  -2.062  -8.233  -3.655
   78    HA   LYS  12           HA       LYS  12  -2.003  -8.194  -6.568
   79    HB2  LYS  12          2HB       LYS  12  -3.226 -10.202  -4.688
   80    HB3  LYS  12          1HB       LYS  12  -3.197 -10.354  -6.443
   81    HG2  LYS  12          2HG       LYS  12  -0.726 -10.329  -6.373
   82    HG3  LYS  12          1HG       LYS  12  -0.805 -10.258  -4.618
   83    HD2  LYS  12          2HD       LYS  12  -0.372 -12.536  -5.323
   84    HD3  LYS  12          1HD       LYS  12  -1.985 -12.436  -4.621
   85    HE2  LYS  12          2HE       LYS  12  -2.981 -12.464  -6.803
   86    HE3  LYS  12          1HE       LYS  12  -1.398 -12.342  -7.572
   87    HZ1  LYS  12          1HZ       LYS  12  -0.836 -14.497  -6.715
   88    HZ2  LYS  12          2HZ       LYS  12  -2.281 -14.587  -7.592
   89    HZ3  LYS  12          3HZ       LYS  12  -2.316 -14.617  -5.902
   90    H    ASN  13           H        ASN  13  -3.774  -6.787  -4.217
   91    HA   ASN  13           HA       ASN  13  -6.030  -6.331  -6.025
   92    HB2  ASN  13          2HB       ASN  13  -6.511  -8.087  -4.228
   93    HB3  ASN  13          1HB       ASN  13  -6.278  -6.827  -3.042
   94   HD21  ASN  13          1HD2      ASN  13  -8.372  -7.948  -5.587
   95   HD22  ASN  13          2HD2      ASN  13  -9.736  -6.980  -5.203
   96    H    ASP  14           H        ASP  14  -3.871  -4.855  -5.838
   97    HA   ASP  14           HA       ASP  14  -3.641  -2.978  -3.758
   98    HB2  ASP  14          2HB       ASP  14  -1.810  -3.430  -5.300
   99    HB3  ASP  14          1HB       ASP  14  -2.729  -2.687  -6.616
  100    H    LYS  15           H        LYS  15  -4.498  -1.159  -3.326
  101    HA   LYS  15           HA       LYS  15  -6.492   0.070  -5.127
  102    HB2  LYS  15          2HB       LYS  15  -6.475  -0.282  -2.145
  103    HB3  LYS  15          1HB       LYS  15  -7.625   0.698  -3.024
  104    HG2  LYS  15          2HG       LYS  15  -8.488  -1.286  -4.136
  105    HG3  LYS  15          1HG       LYS  15  -7.261  -2.277  -3.341
  106    HD2  LYS  15          2HD       LYS  15  -8.185  -1.756  -1.173
  107    HD3  LYS  15          1HD       LYS  15  -9.351  -0.653  -1.901
  108    HE2  LYS  15          2HE       LYS  15 -10.364  -2.526  -3.101
  109    HE3  LYS  15          1HE       LYS  15  -9.198  -3.630  -2.376
  110    HZ1  LYS  15          1HZ       LYS  15 -10.112  -3.046  -0.197
  111    HZ2  LYS  15          2HZ       LYS  15 -11.254  -3.716  -1.198
  112    HZ3  LYS  15          3HZ       LYS  15 -11.264  -2.052  -0.928
  113    H    CYS  16           H        CYS  16  -3.595   0.672  -4.678
  114    HA   CYS  16           HA       CYS  16  -3.650   2.958  -2.927
  115    HB2  CYS  16          2HB       CYS  16  -1.464   1.473  -4.275
  116    HB3  CYS  16          1HB       CYS  16  -1.184   2.996  -3.427
  117    H    CYS  17           H        CYS  17  -2.786   4.978  -3.391
  118    HA   CYS  17           HA       CYS  17  -3.469   5.919  -6.020
  119    HB2  CYS  17          2HB       CYS  17  -3.360   7.070  -3.358
  120    HB3  CYS  17          1HB       CYS  17  -2.445   8.041  -4.485
  121    H    LYS  18           H        LYS  18  -1.821   7.975  -6.256
  122    HA   LYS  18           HA       LYS  18   0.324   6.875  -7.655
  123    HB2  LYS  18          2HB       LYS  18  -0.801   8.981  -8.203
  124    HB3  LYS  18          1HB       LYS  18  -0.094   9.712  -6.767
  125    HG2  LYS  18          2HG       LYS  18   2.095   9.372  -7.641
  126    HG3  LYS  18          1HG       LYS  18   1.416   8.547  -9.053
  127    HD2  LYS  18          2HD       LYS  18   1.940  10.811  -9.706
  128    HD3  LYS  18          1HD       LYS  18   0.190  10.638  -9.601
  129    HE2  LYS  18          2HE       LYS  18   0.251  11.684  -7.360
  130    HE3  LYS  18          1HE       LYS  18   1.991  11.902  -7.533
  131    HZ1  LYS  18          1HZ       LYS  18   1.521  13.249  -9.525
  132    HZ2  LYS  18          2HZ       LYS  18   0.928  13.917  -8.118
  133    HZ3  LYS  18          3HZ       LYS  18  -0.131  13.153  -9.194
  134    H    ASN  19           H        ASN  19   2.230   6.278  -7.055
  135    HA   ASN  19           HA       ASN  19   4.270   6.126  -6.111
  136    HB2  ASN  19          2HB       ASN  19   4.058   8.648  -6.080
  137    HB3  ASN  19          1HB       ASN  19   3.681   8.515  -4.368
  138   HD21  ASN  19          1HD2      ASN  19   5.559   9.592  -3.729
  139   HD22  ASN  19          2HD2      ASN  19   7.127   8.881  -3.821
  140    H    TYR  20           H        TYR  20   1.760   5.163  -4.956
  141    HA   TYR  20           HA       TYR  20   2.927   4.107  -2.478
  142    HB2  TYR  20          2HB       TYR  20   0.052   4.738  -3.096
  143    HB3  TYR  20          1HB       TYR  20   0.569   3.744  -1.761
  144    HD1  TYR  20          1HD       TYR  20   0.453   7.154  -3.099
  145    HD2  TYR  20          2HD       TYR  20   1.465   4.743   0.247
  146    HE1  TYR  20          1HE       TYR  20   0.564   9.147  -1.705
  147    HE2  TYR  20          2HE       TYR  20   1.595   6.732   1.654
  148    HH   TYR  20           HH       TYR  20   0.408   9.741   0.541
  149    H    THR  21           H        THR  21   2.067   1.964  -2.024
  150    HA   THR  21           HA       THR  21   0.337   0.577  -3.616
  151    HB   THR  21           HB       THR  21   2.011   0.547  -5.241
  152    HG1  THR  21          1HG       THR  21   0.713  -1.384  -4.721
  153   HG21  THR  21          1HG2      THR  21   4.209  -0.664  -4.961
  154   HG22  THR  21          2HG2      THR  21   3.849  -0.765  -3.236
  155   HG23  THR  21          3HG2      THR  21   4.066   0.807  -3.996
  156    H    CYS  22           H        CYS  22  -0.225  -1.310  -2.720
  157    HA   CYS  22           HA       CYS  22   0.597  -1.331  -0.004
  158    HB2  CYS  22          2HB       CYS  22  -1.252  -2.946   0.263
  159    HB3  CYS  22          1HB       CYS  22  -1.710  -1.297  -0.187
  160    H    SER  23           H        SER  23   1.681  -2.603   1.001
  161    HA   SER  23           HA       SER  23   3.244  -4.598  -0.415
  162    HB2  SER  23          2HB       SER  23   4.432  -3.039   0.996
  163    HB3  SER  23          1HB       SER  23   3.380  -3.391   2.349
  164    HG   SER  23           HG       SER  23   5.452  -4.364   2.471
  165    H    ARG  24           H        ARG  24   3.687  -6.708   0.686
  166    HA   ARG  24           HA       ARG  24   1.237  -7.885   1.819
  167    HB2  ARG  24          2HB       ARG  24   2.183  -8.917  -0.194
  168    HB3  ARG  24          1HB       ARG  24   3.695  -9.133   0.696
  169    HG2  ARG  24          2HG       ARG  24   2.497 -11.241   0.522
  170    HG3  ARG  24          1HG       ARG  24   2.572 -10.701   2.194
  171    HD2  ARG  24          2HD       ARG  24   0.345 -11.569   1.762
  172    HD3  ARG  24          1HD       ARG  24   0.274  -9.815   1.961
  173    HE   ARG  24           HE       ARG  24  -0.818  -9.809   0.012
  174   HH11  ARG  24          1HH1      ARG  24   1.456 -12.537  -0.254
  175   HH12  ARG  24          2HH1      ARG  24   1.058 -12.840  -1.881
  176   HH21  ARG  24          1HH2      ARG  24  -1.399 -10.324  -2.165
  177   HH22  ARG  24          2HH2      ARG  24  -0.517 -11.568  -2.968
  178    H    ARG  25           H        ARG  25   4.509  -7.018   2.459
  179    HA   ARG  25           HA       ARG  25   4.891  -8.648   4.778
  180    HB2  ARG  25          2HB       ARG  25   6.719  -7.636   3.396
  181    HB3  ARG  25          1HB       ARG  25   6.219  -6.053   3.989
  182    HG2  ARG  25          2HG       ARG  25   6.538  -7.040   6.287
  183    HG3  ARG  25          1HG       ARG  25   7.418  -8.326   5.440
  184    HD2  ARG  25          2HD       ARG  25   9.028  -6.720   6.164
  185    HD3  ARG  25          1HD       ARG  25   8.847  -6.535   4.419
  186    HE   ARG  25           HE       ARG  25   7.154  -4.689   5.191
  187   HH11  ARG  25          1HH1      ARG  25  10.402  -5.357   6.401
  188   HH12  ARG  25          2HH1      ARG  25  10.582  -3.839   7.161
  189   HH21  ARG  25          1HH2      ARG  25   7.411  -2.592   6.223
  190   HH22  ARG  25          2HH2      ARG  25   8.882  -2.230   7.019
  191    H    ASP  26           H        ASP  26   4.184  -5.316   4.016
  192    HA   ASP  26           HA       ASP  26   3.673  -4.550   6.730
  193    HB2  ASP  26          2HB       ASP  26   3.297  -2.913   4.209
  194    HB3  ASP  26          1HB       ASP  26   3.496  -2.376   5.844
  195    H    ARG  27           H        ARG  27   1.906  -5.540   3.819
  196    HA   ARG  27           HA       ARG  27  -0.088  -5.432   3.088
  197    HB2  ARG  27          2HB       ARG  27  -0.912  -6.113   5.895
  198    HB3  ARG  27          1HB       ARG  27  -1.770  -6.401   4.371
  199    HG2  ARG  27          2HG       ARG  27   0.366  -7.670   3.697
  200    HG3  ARG  27          1HG       ARG  27   0.637  -7.764   5.433
  201    HD2  ARG  27          2HD       ARG  27  -0.497  -9.734   4.846
  202    HD3  ARG  27          1HD       ARG  27  -1.704  -8.696   5.600
  203    HE   ARG  27           HE       ARG  27  -1.446  -8.810   2.675
  204   HH11  ARG  27          1HH1      ARG  27  -3.439  -9.119   5.578
  205   HH12  ARG  27          2HH1      ARG  27  -4.857  -9.507   4.743
  206   HH21  ARG  27          1HH2      ARG  27  -3.408  -9.409   1.497
  207   HH22  ARG  27          2HH2      ARG  27  -4.844  -9.650   2.380
  208    H    TRP  28           H        TRP  28   0.775  -2.824   4.325
  209    HA   TRP  28           HA       TRP  28  -1.889  -1.684   4.078
  210    HB2  TRP  28          2HB       TRP  28  -0.996   0.354   5.249
  211    HB3  TRP  28          1HB       TRP  28  -0.924  -1.094   6.200
  212    HD1  TRP  28           HD       TRP  28   1.760   0.283   3.759
  213    HE1  TRP  28          1HE       TRP  28   3.956   0.536   5.187
  214    HE3  TRP  28          3HE       TRP  28  -0.090  -1.034   8.159
  215    HZ2  TRP  28          2HZ       TRP  28   4.711   0.204   7.865
  216    HZ3  TRP  28          3HZ       TRP  28   1.322  -1.059  10.147
  217    HH2  TRP  28           HH       TRP  28   3.711  -0.443  10.016
  218    H    CYS  29           H        CYS  29  -1.573   0.666   3.166
  219    HA   CYS  29           HA       CYS  29  -0.400   0.289   0.559
  220    HB2  CYS  29          2HB       CYS  29  -2.637   1.420   0.974
  221    HB3  CYS  29          1HB       CYS  29  -1.755   2.732   1.743
  222    H    LYS  30           H        LYS  30   1.729   0.336   0.674
  223    HA   LYS  30           HA       LYS  30   3.031   2.031   2.580
  224    HB2  LYS  30          2HB       LYS  30   3.487  -0.393   2.319
  225    HB3  LYS  30          1HB       LYS  30   4.090  -0.069   0.708
  226    HG2  LYS  30          2HG       LYS  30   5.808   1.359   1.662
  227    HG3  LYS  30          1HG       LYS  30   5.193   0.971   3.279
  228    HD2  LYS  30          2HD       LYS  30   5.609  -1.421   2.816
  229    HD3  LYS  30          1HD       LYS  30   6.341  -0.969   1.276
  230    HE2  LYS  30          2HE       LYS  30   8.067  -1.328   2.892
  231    HE3  LYS  30          1HE       LYS  30   7.985   0.387   2.506
  232    HZ1  LYS  30          1HZ       LYS  30   8.223  -0.009   4.897
  233    HZ2  LYS  30          2HZ       LYS  30   6.767  -0.861   4.924
  234    HZ3  LYS  30          3HZ       LYS  30   6.785   0.780   4.536
  235    H    TYR  31           H        TYR  31   4.139   3.755   2.031
  236    HA   TYR  31           HA       TYR  31   3.937   5.091  -0.421
  237    HB2  TYR  31          2HB       TYR  31   4.548   5.985   1.906
  238    HB3  TYR  31          1HB       TYR  31   6.158   5.362   1.558
  239    HD1  TYR  31          1HD       TYR  31   3.597   7.701   0.237
  240    HD2  TYR  31          2HD       TYR  31   7.726   6.733   0.494
  241    HE1  TYR  31          1HE       TYR  31   4.148   9.846  -0.783
  242    HE2  TYR  31          2HE       TYR  31   8.299   8.880  -0.542
  243    HH   TYR  31           HH       TYR  31   7.204  10.578  -1.989
  244    H    TYR  32           H        TYR  32   5.080   4.846  -2.251
  245    HA   TYR  32           HA       TYR  32   6.901   2.656  -2.385
  246    HB2  TYR  32          2HB       TYR  32   5.210   3.074  -4.115
  247    HB3  TYR  32          1HB       TYR  32   6.014   4.583  -4.525
  248    HD1  TYR  32          1HD       TYR  32   7.574   4.576  -6.202
  249    HD2  TYR  32          2HD       TYR  32   6.669   0.961  -4.215
  250    HE1  TYR  32          1HE       TYR  32   8.998   3.364  -7.803
  251    HE2  TYR  32          2HE       TYR  32   8.081  -0.284  -5.789
  252    HH   TYR  32           HH       TYR  32  10.261   1.251  -7.883
  253    H    LEU  33           H        LEU  33   8.997   2.710  -2.392
  254    HA   LEU  33           HA       LEU  33  10.310   5.321  -2.405
  255    HB2  LEU  33          2HB       LEU  33  11.213   2.731  -1.134
  256    HB3  LEU  33          1HB       LEU  33  12.136   4.218  -1.139
  257    HG   LEU  33           HG       LEU  33   9.473   3.804   0.230
  258   HD11  LEU  33          1HD1      LEU  33  10.756   3.995   2.296
  259   HD12  LEU  33          2HD1      LEU  33  12.250   4.073   1.361
  260   HD13  LEU  33          3HD1      LEU  33  11.268   2.610   1.336
  261   HD21  LEU  33          1HD2      LEU  33   9.894   6.007   1.232
  262   HD22  LEU  33          2HD2      LEU  33   9.735   6.108  -0.519
  263   HD23  LEU  33          3HD2      LEU  33  11.332   6.184   0.228
  264    HN1  NH2  34          1H        LEU  33  11.794   2.169  -2.823
  265    HN2  NH2  34          2H        LEU  33  12.338   2.437  -4.434
  Start of MODEL   12
    1    H1   ASP   1          1HT       ASP   1 -11.499   7.468  -2.390
    2    H2   ASP   1          2HT       ASP   1 -12.279   7.873  -3.840
    3    H3   ASP   1          3HT       ASP   1 -10.756   8.494  -3.484
    4    HA   ASP   1           HA       ASP   1 -11.330   5.639  -3.914
    5    HB2  ASP   1          2HB       ASP   1 -10.068   5.865  -5.960
    6    HB3  ASP   1          1HB       ASP   1 -11.361   7.058  -5.992
    7    H    CYS   2           H        CYS   2  -9.220   4.530  -4.266
    8    HA   CYS   2           HA       CYS   2  -7.465   3.664  -3.426
    9    HB2  CYS   2          2HB       CYS   2  -5.454   4.923  -3.445
   10    HB3  CYS   2          1HB       CYS   2  -6.401   5.269  -4.849
   11    H    LEU   3           H        LEU   3  -5.474   4.236  -1.810
   12    HA   LEU   3           HA       LEU   3  -6.784   4.409   0.771
   13    HB2  LEU   3          2HB       LEU   3  -4.558   2.681  -0.201
   14    HB3  LEU   3          1HB       LEU   3  -5.066   2.773   1.480
   15    HG   LEU   3           HG       LEU   3  -6.713   1.754  -0.836
   16   HD11  LEU   3          1HD1      LEU   3  -5.479   0.327   1.505
   17   HD12  LEU   3          2HD1      LEU   3  -4.954   0.232  -0.177
   18   HD13  LEU   3          3HD1      LEU   3  -6.534  -0.398   0.292
   19   HD21  LEU   3          1HD2      LEU   3  -7.385   1.950   2.099
   20   HD22  LEU   3          2HD2      LEU   3  -8.341   1.107   0.883
   21   HD23  LEU   3          3HD2      LEU   3  -8.146   2.852   0.785
   22    H    GLY   4           H        GLY   4  -5.222   4.946   2.445
   23    HA2  GLY   4          2HA       GLY   4  -3.325   6.836   1.427
   24    HA3  GLY   4          1HA       GLY   4  -3.847   6.762   3.125
   25    H    TRP   5           H        TRP   5  -2.406   5.692   4.553
   26    HA   TRP   5           HA       TRP   5  -0.453   4.119   3.221
   27    HB2  TRP   5          2HB       TRP   5   0.342   6.179   4.392
   28    HB3  TRP   5          1HB       TRP   5  -0.150   5.419   5.893
   29    HD1  TRP   5           HD       TRP   5   1.005   2.547   5.561
   30    HE1  TRP   5          1HE       TRP   5   3.521   2.094   5.552
   31    HE3  TRP   5          3HE       TRP   5   2.591   7.182   4.248
   32    HZ2  TRP   5          2HZ       TRP   5   5.910   3.552   5.043
   33    HZ3  TRP   5          3HZ       TRP   5   4.994   7.589   4.019
   34    HH2  TRP   5           HH       TRP   5   6.625   5.802   4.409
   35    H    PHE   6           H        PHE   6  -1.574   4.218   6.445
   36    HA   PHE   6           HA       PHE   6  -0.865   1.451   6.851
   37    HB2  PHE   6          2HB       PHE   6  -2.369   3.243   8.774
   38    HB3  PHE   6          1HB       PHE   6  -1.431   1.801   9.161
   39    HD1  PHE   6          1HD       PHE   6  -1.445   5.320   8.811
   40    HD2  PHE   6          2HD       PHE   6   1.076   1.900   8.714
   41    HE1  PHE   6          1HE       PHE   6   0.509   6.751   9.188
   42    HE2  PHE   6          2HE       PHE   6   3.024   3.328   9.091
   43    HZ   PHE   6           HZ       PHE   6   2.735   5.756   9.331
   44    H    LYS   7           H        LYS   7  -3.260   2.387   5.177
   45    HA   LYS   7           HA       LYS   7  -5.459   0.902   6.351
   46    HB2  LYS   7          2HB       LYS   7  -5.127   1.905   3.533
   47    HB3  LYS   7          1HB       LYS   7  -6.586   1.263   4.216
   48    HG2  LYS   7          2HG       LYS   7  -5.279   3.805   5.185
   49    HG3  LYS   7          1HG       LYS   7  -6.648   3.722   4.079
   50    HD2  LYS   7          2HD       LYS   7  -7.991   2.607   5.779
   51    HD3  LYS   7          1HD       LYS   7  -6.621   2.602   6.881
   52    HE2  LYS   7          2HE       LYS   7  -8.182   4.378   7.463
   53    HE3  LYS   7          1HE       LYS   7  -6.652   5.058   6.929
   54    HZ1  LYS   7          1HZ       LYS   7  -7.650   5.593   4.804
   55    HZ2  LYS   7          2HZ       LYS   7  -8.642   6.199   6.027
   56    HZ3  LYS   7          3HZ       LYS   7  -9.074   4.812   5.230
   57    H    SER   8           H        SER   8  -6.152  -1.119   5.606
   58    HA   SER   8           HA       SER   8  -4.047  -2.844   4.979
   59    HB2  SER   8          2HB       SER   8  -6.959  -3.413   5.070
   60    HB3  SER   8          1HB       SER   8  -5.589  -4.429   5.493
   61    HG   SER   8           HG       SER   8  -5.094  -2.943   7.175
   62    H    CYS   9           H        CYS   9  -3.754  -3.866   3.130
   63    HA   CYS   9           HA       CYS   9  -5.635  -3.721   0.951
   64    HB2  CYS   9          2HB       CYS   9  -4.435  -1.689   0.738
   65    HB3  CYS   9          1HB       CYS   9  -2.893  -2.561   0.798
   66    H    ASP  10           H        ASP  10  -4.487  -4.774  -0.904
   67    HA   ASP  10           HA       ASP  10  -2.843  -6.998   0.027
   68    HB2  ASP  10          2HB       ASP  10  -5.252  -7.714  -0.151
   69    HB3  ASP  10          1HB       ASP  10  -5.168  -7.336  -1.870
   70    HA   PRO  11           HA       PRO  11  -0.433  -5.269  -3.241
   71    HB2  PRO  11          2HB       PRO  11   1.016  -7.564  -3.748
   72    HB3  PRO  11          1HB       PRO  11   1.447  -6.343  -2.527
   73    HG2  PRO  11          2HG       PRO  11   0.043  -8.956  -2.247
   74    HG3  PRO  11          1HG       PRO  11   1.214  -8.170  -1.171
   75    HD2  PRO  11          2HD       PRO  11  -1.366  -8.199  -0.596
   76    HD3  PRO  11          1HD       PRO  11  -0.378  -6.757  -0.262
   77    H    LYS  12           H        LYS  12  -2.140  -8.249  -3.682
   78    HA   LYS  12           HA       LYS  12  -1.766  -8.202  -6.566
   79    HB2  LYS  12          2HB       LYS  12  -3.480 -10.001  -4.868
   80    HB3  LYS  12          1HB       LYS  12  -3.168 -10.190  -6.588
   81    HG2  LYS  12          2HG       LYS  12  -0.836 -10.624  -6.141
   82    HG3  LYS  12          1HG       LYS  12  -1.096 -10.330  -4.423
   83    HD2  LYS  12          2HD       LYS  12  -1.059 -12.695  -4.700
   84    HD3  LYS  12          1HD       LYS  12  -2.734 -12.240  -4.438
   85    HE2  LYS  12          2HE       LYS  12  -1.504 -12.800  -7.141
   86    HE3  LYS  12          1HE       LYS  12  -2.377 -13.982  -6.193
   87    HZ1  LYS  12          1HZ       LYS  12  -3.841 -13.138  -7.808
   88    HZ2  LYS  12          2HZ       LYS  12  -3.480 -11.552  -7.519
   89    HZ3  LYS  12          3HZ       LYS  12  -4.369 -12.421  -6.379
   90    H    ASN  13           H        ASN  13  -3.800  -6.828  -4.338
   91    HA   ASN  13           HA       ASN  13  -5.843  -6.223  -6.361
   92    HB2  ASN  13          2HB       ASN  13  -6.581  -7.946  -4.637
   93    HB3  ASN  13          1HB       ASN  13  -6.356  -6.714  -3.415
   94   HD21  ASN  13          1HD2      ASN  13  -7.695  -6.078  -6.610
   95   HD22  ASN  13          2HD2      ASN  13  -9.279  -5.685  -6.071
   96    H    ASP  14           H        ASP  14  -3.656  -4.811  -5.940
   97    HA   ASP  14           HA       ASP  14  -3.536  -2.930  -3.886
   98    HB2  ASP  14          2HB       ASP  14  -1.671  -3.347  -5.406
   99    HB3  ASP  14          1HB       ASP  14  -2.587  -2.573  -6.711
  100    H    LYS  15           H        LYS  15  -4.601  -1.332  -3.407
  101    HA   LYS  15           HA       LYS  15  -6.442  -0.003  -5.281
  102    HB2  LYS  15          2HB       LYS  15  -6.636  -0.495  -2.317
  103    HB3  LYS  15          1HB       LYS  15  -7.730   0.531  -3.225
  104    HG2  LYS  15          2HG       LYS  15  -8.455  -1.390  -4.534
  105    HG3  LYS  15          1HG       LYS  15  -7.314  -2.417  -3.666
  106    HD2  LYS  15          2HD       LYS  15  -8.493  -1.959  -1.573
  107    HD3  LYS  15          1HD       LYS  15  -9.633  -0.924  -2.441
  108    HE2  LYS  15          2HE       LYS  15 -10.341  -2.826  -3.787
  109    HE3  LYS  15          1HE       LYS  15  -9.186  -3.859  -2.953
  110    HZ1  LYS  15          1HZ       LYS  15 -10.405  -3.473  -0.904
  111    HZ2  LYS  15          2HZ       LYS  15 -11.367  -4.153  -2.077
  112    HZ3  LYS  15          3HZ       LYS  15 -11.534  -2.505  -1.724
  113    H    CYS  16           H        CYS  16  -3.589   0.485  -4.567
  114    HA   CYS  16           HA       CYS  16  -3.672   2.772  -2.856
  115    HB2  CYS  16          2HB       CYS  16  -1.493   1.261  -4.208
  116    HB3  CYS  16          1HB       CYS  16  -1.209   2.790  -3.381
  117    H    CYS  17           H        CYS  17  -2.920   4.799  -3.389
  118    HA   CYS  17           HA       CYS  17  -3.671   5.625  -6.016
  119    HB2  CYS  17          2HB       CYS  17  -3.329   6.866  -3.417
  120    HB3  CYS  17          1HB       CYS  17  -2.566   7.800  -4.680
  121    H    LYS  18           H        LYS  18  -2.127   7.634  -6.494
  122    HA   LYS  18           HA       LYS  18   0.235   6.704  -7.709
  123    HB2  LYS  18          2HB       LYS  18  -1.074   8.704  -8.349
  124    HB3  LYS  18          1HB       LYS  18  -0.551   9.449  -6.841
  125    HG2  LYS  18          2HG       LYS  18   1.757   9.239  -7.556
  126    HG3  LYS  18          1HG       LYS  18   1.195   8.561  -9.093
  127    HD2  LYS  18          2HD       LYS  18   1.668  10.911  -9.390
  128    HD3  LYS  18          1HD       LYS  18  -0.072  10.604  -9.500
  129    HE2  LYS  18          2HE       LYS  18  -0.340  11.347  -7.158
  130    HE3  LYS  18          1HE       LYS  18   1.390  11.666  -7.071
  131    HZ1  LYS  18          1HZ       LYS  18   1.061  13.373  -8.805
  132    HZ2  LYS  18          2HZ       LYS  18   0.178  13.650  -7.405
  133    HZ3  LYS  18          3HZ       LYS  18  -0.608  13.066  -8.758
  134    H    ASN  19           H        ASN  19   2.151   6.376  -6.963
  135    HA   ASN  19           HA       ASN  19   4.077   6.620  -5.787
  136    HB2  ASN  19          2HB       ASN  19   2.487   8.576  -4.236
  137    HB3  ASN  19          1HB       ASN  19   4.185   8.257  -3.858
  138   HD21  ASN  19          1HD2      ASN  19   4.718   8.112  -6.864
  139   HD22  ASN  19          2HD2      ASN  19   4.670   9.749  -7.382
  140    H    TYR  20           H        TYR  20   1.378   5.193  -4.831
  141    HA   TYR  20           HA       TYR  20   2.625   4.130  -2.413
  142    HB2  TYR  20          2HB       TYR  20  -0.277   4.468  -3.058
  143    HB3  TYR  20          1HB       TYR  20   0.325   3.534  -1.724
  144    HD1  TYR  20          1HD       TYR  20   1.001   4.574   0.330
  145    HD2  TYR  20          2HD       TYR  20  -0.057   6.991  -3.011
  146    HE1  TYR  20          1HE       TYR  20   0.895   6.522   1.788
  147    HE2  TYR  20          2HE       TYR  20  -0.169   8.958  -1.556
  148    HH   TYR  20           HH       TYR  20   1.031   8.921   1.658
  149    H    THR  21           H        THR  21   2.114   1.890  -2.027
  150    HA   THR  21           HA       THR  21   1.185   0.222  -4.156
  151    HB   THR  21           HB       THR  21   3.373  -1.041  -3.711
  152    HG1  THR  21          1HG       THR  21   3.913   1.058  -2.330
  153   HG21  THR  21          1HG2      THR  21   2.803  -0.248  -5.952
  154   HG22  THR  21          2HG2      THR  21   4.520   0.020  -5.661
  155   HG23  THR  21          3HG2      THR  21   3.385   1.366  -5.548
  156    H    CYS  22           H        CYS  22  -0.028  -1.352  -2.859
  157    HA   CYS  22           HA       CYS  22   0.753  -1.312  -0.183
  158    HB2  CYS  22          2HB       CYS  22  -1.038  -2.993   0.127
  159    HB3  CYS  22          1HB       CYS  22  -1.552  -1.368  -0.329
  160    H    SER  23           H        SER  23   1.589  -2.646   1.052
  161    HA   SER  23           HA       SER  23   3.541  -4.377  -0.145
  162    HB2  SER  23          2HB       SER  23   4.226  -2.833   1.591
  163    HB3  SER  23          1HB       SER  23   3.005  -3.461   2.689
  164    HG   SER  23           HG       SER  23   5.513  -4.344   2.148
  165    H    ARG  24           H        ARG  24   3.894  -6.505   0.751
  166    HA   ARG  24           HA       ARG  24   1.408  -7.848   1.548
  167    HB2  ARG  24          2HB       ARG  24   3.100  -8.543  -0.403
  168    HB3  ARG  24          1HB       ARG  24   3.859  -9.357   0.966
  169    HG2  ARG  24          2HG       ARG  24   1.037  -9.821  -0.047
  170    HG3  ARG  24          1HG       ARG  24   2.395 -10.924  -0.203
  171    HD2  ARG  24          2HD       ARG  24   2.447 -11.163   2.241
  172    HD3  ARG  24          1HD       ARG  24   1.105 -10.014   2.347
  173    HE   ARG  24           HE       ARG  24   0.404 -12.116   0.644
  174   HH11  ARG  24          1HH1      ARG  24   0.908 -11.561   4.151
  175   HH12  ARG  24          2HH1      ARG  24  -0.246 -12.718   4.594
  176   HH21  ARG  24          1HH2      ARG  24  -1.110 -13.690   1.294
  177   HH22  ARG  24          2HH2      ARG  24  -1.392 -14.011   2.951
  178    H    ARG  25           H        ARG  25   4.749  -7.134   2.400
  179    HA   ARG  25           HA       ARG  25   5.020  -8.815   4.627
  180    HB2  ARG  25          2HB       ARG  25   6.844  -7.531   3.460
  181    HB3  ARG  25          1HB       ARG  25   6.218  -6.073   4.228
  182    HG2  ARG  25          2HG       ARG  25   6.541  -7.234   6.399
  183    HG3  ARG  25          1HG       ARG  25   7.423  -8.472   5.484
  184    HD2  ARG  25          2HD       ARG  25   9.021  -6.920   6.399
  185    HD3  ARG  25          1HD       ARG  25   8.938  -6.680   4.652
  186    HE   ARG  25           HE       ARG  25   7.170  -4.869   5.614
  187   HH11  ARG  25          1HH1      ARG  25  10.581  -5.494   6.281
  188   HH12  ARG  25          2HH1      ARG  25  10.904  -3.927   6.860
  189   HH21  ARG  25          1HH2      ARG  25   7.567  -2.791   6.328
  190   HH22  ARG  25          2HH2      ARG  25   9.107  -2.268   6.856
  191    H    ASP  26           H        ASP  26   4.127  -5.442   4.238
  192    HA   ASP  26           HA       ASP  26   3.262  -5.274   6.985
  193    HB2  ASP  26          2HB       ASP  26   3.548  -3.224   4.818
  194    HB3  ASP  26          1HB       ASP  26   3.022  -2.908   6.456
  195    H    ARG  27           H        ARG  27   1.916  -5.854   3.875
  196    HA   ARG  27           HA       ARG  27   0.028  -5.593   2.868
  197    HB2  ARG  27          2HB       ARG  27  -1.154  -6.442   5.510
  198    HB3  ARG  27          1HB       ARG  27  -1.872  -6.494   3.890
  199    HG2  ARG  27          2HG       ARG  27   0.002  -8.019   3.243
  200    HG3  ARG  27          1HG       ARG  27   0.352  -8.157   4.968
  201    HD2  ARG  27          2HD       ARG  27  -1.053  -9.983   4.412
  202    HD3  ARG  27          1HD       ARG  27  -2.065  -8.832   5.282
  203    HE   ARG  27           HE       ARG  27  -2.083  -9.312   2.380
  204   HH11  ARG  27          1HH1      ARG  27  -3.692  -7.931   5.233
  205   HH12  ARG  27          2HH1      ARG  27  -5.187  -7.721   4.467
  206   HH21  ARG  27          1HH2      ARG  27  -4.182  -9.037   1.312
  207   HH22  ARG  27          2HH2      ARG  27  -5.461  -8.335   2.191
  208    H    TRP  28           H        TRP  28   0.887  -3.118   4.289
  209    HA   TRP  28           HA       TRP  28  -1.720  -1.862   4.096
  210    HB2  TRP  28          2HB       TRP  28  -0.731   0.116   5.255
  211    HB3  TRP  28          1HB       TRP  28  -0.704  -1.344   6.212
  212    HD1  TRP  28           HD       TRP  28   2.089  -0.546   3.671
  213    HE1  TRP  28          1HE       TRP  28   4.284  -0.177   5.036
  214    HE3  TRP  28          3HE       TRP  28   0.135  -0.665   8.318
  215    HZ2  TRP  28          2HZ       TRP  28   5.019   0.078   7.730
  216    HZ3  TRP  28          3HZ       TRP  28   1.607  -0.344  10.257
  217    HH2  TRP  28           HH       TRP  28   4.020   0.023   9.960
  218    H    CYS  29           H        CYS  29  -1.455   0.468   3.227
  219    HA   CYS  29           HA       CYS  29  -0.350   0.183   0.571
  220    HB2  CYS  29          2HB       CYS  29  -2.624   1.185   1.122
  221    HB3  CYS  29          1HB       CYS  29  -1.762   2.537   1.838
  222    H    LYS  30           H        LYS  30   1.766   0.225   0.687
  223    HA   LYS  30           HA       LYS  30   3.229   1.840   2.538
  224    HB2  LYS  30          2HB       LYS  30   3.803  -0.478   2.038
  225    HB3  LYS  30          1HB       LYS  30   3.963  -0.088   0.342
  226    HG2  LYS  30          2HG       LYS  30   5.839   1.417   0.962
  227    HG3  LYS  30          1HG       LYS  30   5.734   0.761   2.606
  228    HD2  LYS  30          2HD       LYS  30   6.020  -1.517   1.675
  229    HD3  LYS  30          1HD       LYS  30   6.219  -0.818   0.072
  230    HE2  LYS  30          2HE       LYS  30   8.172   0.447   0.951
  231    HE3  LYS  30          1HE       LYS  30   8.006  -0.445   2.462
  232    HZ1  LYS  30          1HZ       LYS  30   9.650  -1.529   1.083
  233    HZ2  LYS  30          2HZ       LYS  30   8.592  -1.613  -0.209
  234    HZ3  LYS  30          3HZ       LYS  30   8.288  -2.507   1.180
  235    H    TYR  31           H        TYR  31   3.882   3.853   2.001
  236    HA   TYR  31           HA       TYR  31   3.542   4.946  -0.584
  237    HB2  TYR  31          2HB       TYR  31   3.773   6.254   1.607
  238    HB3  TYR  31          1HB       TYR  31   5.502   5.911   1.471
  239    HD1  TYR  31          1HD       TYR  31   2.686   7.564  -0.242
  240    HD2  TYR  31          2HD       TYR  31   6.907   7.281   0.116
  241    HE1  TYR  31          1HE       TYR  31   2.921   9.533  -1.650
  242    HE2  TYR  31          2HE       TYR  31   7.157   9.265  -1.305
  243    HH   TYR  31           HH       TYR  31   5.884  10.478  -2.997
  244    H    TYR  32           H        TYR  32   4.814   4.805  -2.256
  245    HA   TYR  32           HA       TYR  32   6.947   2.932  -2.121
  246    HB2  TYR  32          2HB       TYR  32   5.290   3.074  -3.920
  247    HB3  TYR  32          1HB       TYR  32   6.034   4.580  -4.474
  248    HD1  TYR  32          1HD       TYR  32   6.307   1.006  -4.171
  249    HD2  TYR  32          2HD       TYR  32   8.228   4.504  -5.528
  250    HE1  TYR  32          1HE       TYR  32   7.864  -0.385  -5.450
  251    HE2  TYR  32          2HE       TYR  32   9.814   3.159  -6.832
  252    HH   TYR  32           HH       TYR  32  10.728   0.845  -6.755
  253    H    LEU  33           H        LEU  33   8.842   3.430  -1.617
  254    HA   LEU  33           HA       LEU  33   9.841   6.127  -2.137
  255    HB2  LEU  33          2HB       LEU  33   9.793   5.450   0.236
  256    HB3  LEU  33          1HB       LEU  33  10.824   4.086  -0.122
  257    HG   LEU  33           HG       LEU  33  12.671   5.617  -0.657
  258   HD11  LEU  33          1HD1      LEU  33  12.440   8.006  -0.159
  259   HD12  LEU  33          2HD1      LEU  33  10.716   7.776   0.126
  260   HD13  LEU  33          3HD1      LEU  33  11.391   7.509  -1.483
  261   HD21  LEU  33          1HD2      LEU  33  13.055   6.431   1.609
  262   HD22  LEU  33          2HD2      LEU  33  12.380   4.801   1.632
  263   HD23  LEU  33          3HD2      LEU  33  11.354   6.186   1.993
  264    HN1  NH2  34          1H        LEU  33  11.949   3.437  -1.456
  265    HN2  NH2  34          2H        LEU  33  12.599   3.293  -3.048
  Start of MODEL   13
    1    H1   ASP   1          1HT       ASP   1 -12.026   7.146  -6.292
    2    H2   ASP   1          2HT       ASP   1 -11.701   5.508  -6.065
    3    H3   ASP   1          3HT       ASP   1 -10.537   6.486  -6.761
    4    HA   ASP   1           HA       ASP   1 -10.301   7.700  -4.683
    5    HB2  ASP   1          2HB       ASP   1 -11.344   6.806  -2.667
    6    HB3  ASP   1          1HB       ASP   1 -12.594   7.236  -3.826
    7    H    CYS   2           H        CYS   2  -8.988   6.714  -2.869
    8    HA   CYS   2           HA       CYS   2  -7.835   4.121  -3.558
    9    HB2  CYS   2          2HB       CYS   2  -5.576   5.144  -3.502
   10    HB3  CYS   2          1HB       CYS   2  -6.509   5.699  -4.862
   11    H    LEU   3           H        LEU   3  -5.683   4.404  -1.911
   12    HA   LEU   3           HA       LEU   3  -6.957   4.549   0.706
   13    HB2  LEU   3          2HB       LEU   3  -4.717   2.837  -0.301
   14    HB3  LEU   3          1HB       LEU   3  -5.234   2.892   1.375
   15    HG   LEU   3           HG       LEU   3  -6.847   1.876  -0.968
   16   HD11  LEU   3          1HD1      LEU   3  -5.055   0.386  -0.319
   17   HD12  LEU   3          2HD1      LEU   3  -6.618  -0.292   0.145
   18   HD13  LEU   3          3HD1      LEU   3  -5.582   0.453   1.361
   19   HD21  LEU   3          1HD2      LEU   3  -8.313   2.914   0.681
   20   HD22  LEU   3          2HD2      LEU   3  -7.545   1.988   1.969
   21   HD23  LEU   3          3HD2      LEU   3  -8.485   1.160   0.729
   22    H    GLY   4           H        GLY   4  -5.463   5.163   2.394
   23    HA2  GLY   4          2HA       GLY   4  -3.610   7.069   1.353
   24    HA3  GLY   4          1HA       GLY   4  -4.159   7.015   3.047
   25    H    TRP   5           H        TRP   5  -2.858   5.809   4.556
   26    HA   TRP   5           HA       TRP   5  -0.749   4.335   3.341
   27    HB2  TRP   5          2HB       TRP   5  -0.143   6.521   4.463
   28    HB3  TRP   5          1HB       TRP   5  -0.584   5.732   5.964
   29    HD1  TRP   5           HD       TRP   5   0.734   3.030   5.857
   30    HE1  TRP   5          1HE       TRP   5   3.293   2.696   5.798
   31    HE3  TRP   5          3HE       TRP   5   2.054   7.564   4.001
   32    HZ2  TRP   5          2HZ       TRP   5   5.573   4.194   5.046
   33    HZ3  TRP   5          3HZ       TRP   5   4.440   8.049   3.636
   34    HH2  TRP   5           HH       TRP   5   6.160   6.398   4.149
   35    H    PHE   6           H        PHE   6  -2.042   4.543   6.506
   36    HA   PHE   6           HA       PHE   6  -1.533   1.675   6.815
   37    HB2  PHE   6          2HB       PHE   6  -2.649   3.636   8.853
   38    HB3  PHE   6          1HB       PHE   6  -2.169   1.975   9.184
   39    HD1  PHE   6          1HD       PHE   6  -1.187   5.352   9.125
   40    HD2  PHE   6          2HD       PHE   6   0.287   1.383   8.700
   41    HE1  PHE   6          1HE       PHE   6   1.076   6.136   9.655
   42    HE2  PHE   6          2HE       PHE   6   2.544   2.163   9.229
   43    HZ   PHE   6           HZ       PHE   6   2.937   4.541   9.711
   44    H    LYS   7           H        LYS   7  -3.259   1.921   4.958
   45    HA   LYS   7           HA       LYS   7  -5.724   0.859   6.138
   46    HB2  LYS   7          2HB       LYS   7  -5.245   1.689   3.302
   47    HB3  LYS   7          1HB       LYS   7  -6.754   1.241   4.033
   48    HG2  LYS   7          2HG       LYS   7  -5.222   3.753   4.709
   49    HG3  LYS   7          1HG       LYS   7  -6.670   3.667   3.706
   50    HD2  LYS   7          2HD       LYS   7  -7.932   2.786   5.624
   51    HD3  LYS   7          1HD       LYS   7  -6.479   2.894   6.617
   52    HE2  LYS   7          2HE       LYS   7  -6.424   5.325   6.229
   53    HE3  LYS   7          1HE       LYS   7  -7.910   5.191   5.293
   54    HZ1  LYS   7          1HZ       LYS   7  -7.605   4.502   8.160
   55    HZ2  LYS   7          2HZ       LYS   7  -9.027   4.349   7.262
   56    HZ3  LYS   7          3HZ       LYS   7  -8.373   5.878   7.555
   57    H    SER   8           H        SER   8  -6.183  -1.242   5.550
   58    HA   SER   8           HA       SER   8  -3.995  -2.817   4.847
   59    HB2  SER   8          2HB       SER   8  -6.882  -3.484   5.073
   60    HB3  SER   8          1HB       SER   8  -5.492  -4.526   5.318
   61    HG   SER   8           HG       SER   8  -4.853  -2.950   6.948
   62    H    CYS   9           H        CYS   9  -3.745  -3.873   3.004
   63    HA   CYS   9           HA       CYS   9  -5.663  -3.730   0.863
   64    HB2  CYS   9          2HB       CYS   9  -4.639  -1.642   0.677
   65    HB3  CYS   9          1HB       CYS   9  -3.022  -2.373   0.738
   66    H    ASP  10           H        ASP  10  -4.689  -4.705  -0.993
   67    HA   ASP  10           HA       ASP  10  -2.813  -6.837  -0.263
   68    HB2  ASP  10          2HB       ASP  10  -5.180  -7.687  -0.491
   69    HB3  ASP  10          1HB       ASP  10  -5.124  -7.180  -2.176
   70    HA   PRO  11           HA       PRO  11  -0.543  -4.694  -3.511
   71    HB2  PRO  11          2HB       PRO  11   0.979  -7.023  -4.056
   72    HB3  PRO  11          1HB       PRO  11   1.450  -5.645  -3.055
   73    HG2  PRO  11          2HG       PRO  11   0.285  -8.267  -2.245
   74    HG3  PRO  11          1HG       PRO  11   1.403  -7.222  -1.353
   75    HD2  PRO  11          2HD       PRO  11  -1.100  -7.448  -0.675
   76    HD3  PRO  11          1HD       PRO  11  -0.293  -5.871  -0.591
   77    H    LYS  12           H        LYS  12  -2.071  -7.809  -3.979
   78    HA   LYS  12           HA       LYS  12  -1.775  -7.645  -6.868
   79    HB2  LYS  12          2HB       LYS  12  -3.113  -9.707  -5.127
   80    HB3  LYS  12          1HB       LYS  12  -2.865  -9.845  -6.862
   81    HG2  LYS  12          2HG       LYS  12  -0.480  -9.896  -6.596
   82    HG3  LYS  12          1HG       LYS  12  -0.614  -9.510  -4.884
   83    HD2  LYS  12          2HD       LYS  12  -0.112 -11.865  -5.188
   84    HD3  LYS  12          1HD       LYS  12  -1.722 -11.670  -4.502
   85    HE2  LYS  12          2HE       LYS  12  -2.719 -12.060  -6.677
   86    HE3  LYS  12          1HE       LYS  12  -1.122 -12.173  -7.418
   87    HZ1  LYS  12          1HZ       LYS  12  -0.676 -14.111  -6.055
   88    HZ2  LYS  12          2HZ       LYS  12  -2.074 -14.358  -6.962
   89    HZ3  LYS  12          3HZ       LYS  12  -2.191 -13.991  -5.335
   90    H    ASN  13           H        ASN  13  -3.824  -6.417  -4.612
   91    HA   ASN  13           HA       ASN  13  -5.942  -5.969  -6.586
   92    HB2  ASN  13          2HB       ASN  13  -6.498  -7.790  -4.887
   93    HB3  ASN  13          1HB       ASN  13  -6.413  -6.546  -3.655
   94   HD21  ASN  13          1HD2      ASN  13  -7.712  -6.094  -6.878
   95   HD22  ASN  13          2HD2      ASN  13  -9.333  -5.792  -6.374
   96    H    ASP  14           H        ASP  14  -3.875  -4.433  -6.125
   97    HA   ASP  14           HA       ASP  14  -3.704  -2.719  -3.933
   98    HB2  ASP  14          2HB       ASP  14  -1.988  -3.128  -5.636
   99    HB3  ASP  14          1HB       ASP  14  -2.916  -2.118  -6.751
  100    H    LYS  15           H        LYS  15  -4.733  -1.043  -3.339
  101    HA   LYS  15           HA       LYS  15  -6.606   0.328  -5.134
  102    HB2  LYS  15          2HB       LYS  15  -6.819  -0.213  -2.184
  103    HB3  LYS  15          1HB       LYS  15  -7.907   0.804  -3.107
  104    HG2  LYS  15          2HG       LYS  15  -8.405  -1.244  -4.510
  105    HG3  LYS  15          1HG       LYS  15  -7.508  -2.175  -3.315
  106    HD2  LYS  15          2HD       LYS  15  -9.989  -0.521  -2.789
  107    HD3  LYS  15          1HD       LYS  15  -9.926  -2.273  -2.916
  108    HE2  LYS  15          2HE       LYS  15  -8.431  -2.316  -0.933
  109    HE3  LYS  15          1HE       LYS  15  -8.601  -0.566  -0.814
  110    HZ1  LYS  15          1HZ       LYS  15 -10.830  -2.526  -0.585
  111    HZ2  LYS  15          2HZ       LYS  15 -10.994  -0.864  -0.525
  112    HZ3  LYS  15          3HZ       LYS  15 -10.158  -1.649   0.687
  113    H    CYS  16           H        CYS  16  -3.748   0.855  -4.449
  114    HA   CYS  16           HA       CYS  16  -3.858   3.140  -2.703
  115    HB2  CYS  16          2HB       CYS  16  -1.649   1.656  -4.059
  116    HB3  CYS  16          1HB       CYS  16  -1.383   3.163  -3.187
  117    H    CYS  17           H        CYS  17  -3.001   5.180  -3.273
  118    HA   CYS  17           HA       CYS  17  -3.676   5.972  -5.928
  119    HB2  CYS  17          2HB       CYS  17  -3.229   7.297  -3.356
  120    HB3  CYS  17          1HB       CYS  17  -2.575   8.170  -4.717
  121    H    LYS  18           H        LYS  18  -2.065   7.845  -6.490
  122    HA   LYS  18           HA       LYS  18   0.162   6.679  -7.675
  123    HB2  LYS  18          2HB       LYS  18  -1.014   8.682  -8.485
  124    HB3  LYS  18          1HB       LYS  18  -0.380   9.582  -7.115
  125    HG2  LYS  18          2HG       LYS  18   1.835   9.279  -7.869
  126    HG3  LYS  18          1HG       LYS  18   1.282   8.233  -9.183
  127    HD2  LYS  18          2HD       LYS  18   1.718  10.429 -10.116
  128    HD3  LYS  18          1HD       LYS  18  -0.020  10.139 -10.093
  129    HE2  LYS  18          2HE       LYS  18   0.405  12.413  -9.375
  130    HE3  LYS  18          1HE       LYS  18  -0.174  11.481  -8.001
  131    HZ1  LYS  18          1HZ       LYS  18   2.652  12.208  -8.556
  132    HZ2  LYS  18          2HZ       LYS  18   2.178  11.259  -7.280
  133    HZ3  LYS  18          3HZ       LYS  18   1.691  12.858  -7.347
  134    H    ASN  19           H        ASN  19   2.180   6.410  -7.056
  135    HA   ASN  19           HA       ASN  19   4.147   6.453  -6.012
  136    HB2  ASN  19          2HB       ASN  19   3.552   9.031  -5.769
  137    HB3  ASN  19          1HB       ASN  19   3.326   8.611  -4.084
  138   HD21  ASN  19          1HD2      ASN  19   5.528   6.655  -4.081
  139   HD22  ASN  19          2HD2      ASN  19   6.986   7.571  -4.126
  140    H    TYR  20           H        TYR  20   1.343   5.584  -4.697
  141    HA   TYR  20           HA       TYR  20   2.603   4.413  -2.333
  142    HB2  TYR  20          2HB       TYR  20  -0.297   4.914  -2.971
  143    HB3  TYR  20          1HB       TYR  20   0.236   3.888  -1.669
  144    HD1  TYR  20          1HD       TYR  20   1.294   4.848   0.331
  145    HD2  TYR  20          2HD       TYR  20  -0.248   7.323  -2.762
  146    HE1  TYR  20          1HE       TYR  20   1.296   6.736   1.869
  147    HE2  TYR  20          2HE       TYR  20  -0.254   9.234  -1.234
  148    HH   TYR  20           HH       TYR  20   1.344   9.219   1.779
  149    H    THR  21           H        THR  21   1.916   2.246  -1.937
  150    HA   THR  21           HA       THR  21   0.729   0.624  -3.989
  151    HB   THR  21           HB       THR  21   3.536   0.081  -3.176
  152    HG1  THR  21          1HG       THR  21   2.642   1.827  -5.011
  153   HG21  THR  21          1HG2      THR  21   3.545  -1.494  -5.097
  154   HG22  THR  21          2HG2      THR  21   1.866  -1.059  -5.409
  155   HG23  THR  21          3HG2      THR  21   2.300  -1.860  -3.901
  156    H    CYS  22           H        CYS  22  -0.073  -1.169  -2.863
  157    HA   CYS  22           HA       CYS  22   0.590  -1.037  -0.128
  158    HB2  CYS  22          2HB       CYS  22  -1.144  -2.831   0.089
  159    HB3  CYS  22          1HB       CYS  22  -1.697  -1.190  -0.274
  160    H    SER  23           H        SER  23   1.687  -2.217   0.976
  161    HA   SER  23           HA       SER  23   3.643  -3.839  -0.300
  162    HB2  SER  23          2HB       SER  23   4.246  -2.301   1.455
  163    HB3  SER  23          1HB       SER  23   3.105  -3.059   2.559
  164    HG   SER  23           HG       SER  23   5.652  -3.749   1.875
  165    H    ARG  24           H        ARG  24   4.211  -5.946   0.474
  166    HA   ARG  24           HA       ARG  24   1.953  -7.588   1.359
  167    HB2  ARG  24          2HB       ARG  24   2.963  -8.252  -0.720
  168    HB3  ARG  24          1HB       ARG  24   4.543  -8.253   0.060
  169    HG2  ARG  24          2HG       ARG  24   3.724 -10.554  -0.272
  170    HG3  ARG  24          1HG       ARG  24   3.905 -10.161   1.430
  171    HD2  ARG  24          2HD       ARG  24   1.452  -9.744   1.557
  172    HD3  ARG  24          1HD       ARG  24   1.310 -10.252  -0.129
  173    HE   ARG  24           HE       ARG  24   2.693 -12.220   1.249
  174   HH11  ARG  24          1HH1      ARG  24  -0.647 -11.017   1.112
  175   HH12  ARG  24          2HH1      ARG  24  -1.316 -12.476   1.663
  176   HH21  ARG  24          1HH2      ARG  24   1.747 -14.171   2.016
  177   HH22  ARG  24          2HH2      ARG  24   0.052 -14.288   2.230
  178    H    ARG  25           H        ARG  25   5.112  -6.379   2.174
  179    HA   ARG  25           HA       ARG  25   5.576  -8.235   4.287
  180    HB2  ARG  25          2HB       ARG  25   7.290  -6.785   2.999
  181    HB3  ARG  25          1HB       ARG  25   6.747  -5.472   4.041
  182    HG2  ARG  25          2HG       ARG  25   7.221  -7.393   5.842
  183    HG3  ARG  25          1HG       ARG  25   8.404  -7.795   4.587
  184    HD2  ARG  25          2HD       ARG  25   9.459  -6.301   6.147
  185    HD3  ARG  25          1HD       ARG  25   9.155  -5.410   4.653
  186    HE   ARG  25           HE       ARG  25   7.437  -4.221   5.691
  187   HH11  ARG  25          1HH1      ARG  25   9.100  -6.402   7.969
  188   HH12  ARG  25          2HH1      ARG  25   8.345  -5.740   9.347
  189   HH21  ARG  25          1HH2      ARG  25   6.444  -3.328   7.630
  190   HH22  ARG  25          2HH2      ARG  25   6.812  -4.009   9.152
  191    H    ASP  26           H        ASP  26   4.540  -4.863   3.932
  192    HA   ASP  26           HA       ASP  26   3.778  -4.693   6.703
  193    HB2  ASP  26          2HB       ASP  26   3.712  -2.637   4.481
  194    HB3  ASP  26          1HB       ASP  26   3.336  -2.369   6.152
  195    H    ARG  27           H        ARG  27   2.320  -5.332   3.564
  196    HA   ARG  27           HA       ARG  27   0.365  -5.250   2.704
  197    HB2  ARG  27          2HB       ARG  27  -0.452  -6.481   5.336
  198    HB3  ARG  27          1HB       ARG  27  -1.331  -6.495   3.797
  199    HG2  ARG  27          2HG       ARG  27   0.427  -7.666   2.714
  200    HG3  ARG  27          1HG       ARG  27   1.398  -7.651   4.182
  201    HD2  ARG  27          2HD       ARG  27   0.440  -9.794   4.036
  202    HD3  ARG  27          1HD       ARG  27  -0.490  -8.935   5.259
  203    HE   ARG  27           HE       ARG  27  -1.562  -8.852   2.575
  204   HH11  ARG  27          1HH1      ARG  27  -1.538 -10.552   5.687
  205   HH12  ARG  27          2HH1      ARG  27  -3.043 -11.307   5.476
  206   HH21  ARG  27          1HH2      ARG  27  -3.702  -9.957   2.275
  207   HH22  ARG  27          2HH2      ARG  27  -4.266 -10.960   3.521
  208    H    TRP  28           H        TRP  28   0.916  -2.776   4.297
  209    HA   TRP  28           HA       TRP  28  -1.812  -1.785   4.000
  210    HB2  TRP  28          2HB       TRP  28  -1.084   0.216   5.359
  211    HB3  TRP  28          1HB       TRP  28  -1.029  -1.303   6.184
  212    HD1  TRP  28           HD       TRP  28   1.732   0.471   4.120
  213    HE1  TRP  28          1HE       TRP  28   3.812   0.599   5.717
  214    HE3  TRP  28          3HE       TRP  28  -0.336  -1.578   8.123
  215    HZ2  TRP  28          2HZ       TRP  28   4.385  -0.107   8.395
  216    HZ3  TRP  28          3HZ       TRP  28   0.909  -1.841  10.192
  217    HH2  TRP  28           HH       TRP  28   3.272  -1.114  10.346
  218    H    CYS  29           H        CYS  29  -1.726   0.571   3.268
  219    HA   CYS  29           HA       CYS  29  -0.529   0.517   0.643
  220    HB2  CYS  29          2HB       CYS  29  -2.851   1.404   1.204
  221    HB3  CYS  29          1HB       CYS  29  -2.048   2.760   1.984
  222    H    LYS  30           H        LYS  30   1.602   0.690   0.819
  223    HA   LYS  30           HA       LYS  30   2.733   2.525   2.738
  224    HB2  LYS  30          2HB       LYS  30   3.272   0.104   2.672
  225    HB3  LYS  30          1HB       LYS  30   3.907   0.319   1.065
  226    HG2  LYS  30          2HG       LYS  30   5.626   1.770   1.937
  227    HG3  LYS  30          1HG       LYS  30   4.963   1.563   3.572
  228    HD2  LYS  30          2HD       LYS  30   5.297  -0.859   3.405
  229    HD3  LYS  30          1HD       LYS  30   5.968  -0.654   1.791
  230    HE2  LYS  30          2HE       LYS  30   7.812   0.652   2.749
  231    HE3  LYS  30          1HE       LYS  30   7.125   0.413   4.355
  232    HZ1  LYS  30          1HZ       LYS  30   7.374  -1.981   4.065
  233    HZ2  LYS  30          2HZ       LYS  30   8.870  -1.210   3.917
  234    HZ3  LYS  30          3HZ       LYS  30   8.067  -1.741   2.543
  235    H    TYR  31           H        TYR  31   4.291   4.014   2.025
  236    HA   TYR  31           HA       TYR  31   3.807   5.112  -0.573
  237    HB2  TYR  31          2HB       TYR  31   4.451   6.291   1.672
  238    HB3  TYR  31          1HB       TYR  31   6.084   5.831   1.182
  239    HD1  TYR  31          1HD       TYR  31   3.101   7.670  -0.012
  240    HD2  TYR  31          2HD       TYR  31   7.311   7.216  -0.224
  241    HE1  TYR  31          1HE       TYR  31   3.235   9.693  -1.370
  242    HE2  TYR  31          2HE       TYR  31   7.465   9.243  -1.588
  243    HH   TYR  31           HH       TYR  31   5.960  10.501  -3.108
  244    H    TYR  32           H        TYR  32   4.844   4.530  -2.349
  245    HA   TYR  32           HA       TYR  32   6.810   2.458  -2.230
  246    HB2  TYR  32          2HB       TYR  32   4.994   2.640  -3.942
  247    HB3  TYR  32          1HB       TYR  32   5.842   4.024  -4.618
  248    HD1  TYR  32          1HD       TYR  32   7.770   3.736  -5.962
  249    HD2  TYR  32          2HD       TYR  32   5.974   0.436  -4.039
  250    HE1  TYR  32          1HE       TYR  32   9.143   2.229  -7.324
  251    HE2  TYR  32          2HE       TYR  32   7.328  -1.119  -5.384
  252    HH   TYR  32           HH       TYR  32  10.011  -0.048  -7.150
  253    H    LEU  33           H        LEU  33   8.998   2.573  -2.787
  254    HA   LEU  33           HA       LEU  33  10.113   5.254  -2.639
  255    HB2  LEU  33          2HB       LEU  33  11.519   2.570  -2.386
  256    HB3  LEU  33          1HB       LEU  33  12.313   4.118  -2.302
  257    HG   LEU  33           HG       LEU  33  10.922   4.597  -0.239
  258   HD11  LEU  33          1HD1      LEU  33   9.182   2.945  -0.555
  259   HD12  LEU  33          2HD1      LEU  33  10.024   2.686   0.975
  260   HD13  LEU  33          3HD1      LEU  33  10.368   1.649  -0.413
  261   HD21  LEU  33          1HD2      LEU  33  12.852   2.297  -0.193
  262   HD22  LEU  33          2HD2      LEU  33  12.339   3.225   1.213
  263   HD23  LEU  33          3HD2      LEU  33  13.244   4.015  -0.080
  264    HN1  NH2  34          1H        LEU  33  11.401   2.432  -4.277
  265    HN2  NH2  34          2H        LEU  33  11.556   3.185  -5.824
  Start of MODEL   14
    1    H1   ASP   1          1HT       ASP   1 -11.006   3.482  -5.955
    2    H2   ASP   1          2HT       ASP   1 -12.503   4.190  -5.703
    3    H3   ASP   1          3HT       ASP   1 -11.813   3.195  -4.517
    4    HA   ASP   1           HA       ASP   1 -10.720   5.771  -5.431
    5    HB2  ASP   1          2HB       ASP   1 -12.753   5.949  -4.060
    6    HB3  ASP   1          1HB       ASP   1 -11.990   4.998  -2.778
    7    H    CYS   2           H        CYS   2  -8.950   6.382  -3.925
    8    HA   CYS   2           HA       CYS   2  -7.368   3.982  -3.568
    9    HB2  CYS   2          2HB       CYS   2  -5.389   5.500  -3.371
   10    HB3  CYS   2          1HB       CYS   2  -6.190   5.500  -4.918
   11    H    LEU   3           H        LEU   3  -5.479   4.630  -1.791
   12    HA   LEU   3           HA       LEU   3  -7.021   4.522   0.694
   13    HB2  LEU   3          2HB       LEU   3  -4.556   3.066  -0.169
   14    HB3  LEU   3          1HB       LEU   3  -5.284   2.939   1.425
   15    HG   LEU   3           HG       LEU   3  -6.476   1.991  -1.188
   16   HD11  LEU   3          1HD1      LEU   3  -6.200  -0.229  -0.219
   17   HD12  LEU   3          2HD1      LEU   3  -5.413   0.489   1.187
   18   HD13  LEU   3          3HD1      LEU   3  -4.660   0.607  -0.404
   19   HD21  LEU   3          1HD2      LEU   3  -8.243   1.011   0.217
   20   HD22  LEU   3          2HD2      LEU   3  -8.229   2.770   0.295
   21   HD23  LEU   3          3HD2      LEU   3  -7.549   1.823   1.620
   22    H    GLY   4           H        GLY   4  -5.551   5.004   2.551
   23    HA2  GLY   4          2HA       GLY   4  -3.806   7.135   1.792
   24    HA3  GLY   4          1HA       GLY   4  -4.281   6.771   3.471
   25    H    TRP   5           H        TRP   5  -2.784   5.607   4.714
   26    HA   TRP   5           HA       TRP   5  -0.651   4.385   3.271
   27    HB2  TRP   5          2HB       TRP   5  -0.143   6.497   4.569
   28    HB3  TRP   5          1HB       TRP   5  -0.495   5.566   6.011
   29    HD1  TRP   5           HD       TRP   5   1.071   2.966   5.548
   30    HE1  TRP   5          1HE       TRP   5   3.655   2.935   5.465
   31    HE3  TRP   5          3HE       TRP   5   1.857   7.837   4.335
   32    HZ2  TRP   5          2HZ       TRP   5   5.741   4.776   4.933
   33    HZ3  TRP   5          3HZ       TRP   5   4.169   8.636   4.052
   34    HH2  TRP   5           HH       TRP   5   6.062   7.134   4.344
   35    H    PHE   6           H        PHE   6  -1.761   4.293   6.507
   36    HA   PHE   6           HA       PHE   6  -1.033   1.486   6.777
   37    HB2  PHE   6          2HB       PHE   6  -2.437   3.257   8.799
   38    HB3  PHE   6          1HB       PHE   6  -1.600   1.740   9.121
   39    HD1  PHE   6          1HD       PHE   6  -1.374   5.246   9.044
   40    HD2  PHE   6          2HD       PHE   6   0.909   1.696   8.553
   41    HE1  PHE   6          1HE       PHE   6   0.678   6.506   9.483
   42    HE2  PHE   6          2HE       PHE   6   2.955   2.946   8.992
   43    HZ   PHE   6           HZ       PHE   6   2.846   5.349   9.462
   44    H    LYS   7           H        LYS   7  -3.293   2.286   5.055
   45    HA   LYS   7           HA       LYS   7  -5.563   0.960   6.315
   46    HB2  LYS   7          2HB       LYS   7  -5.381   1.878   3.461
   47    HB3  LYS   7          1HB       LYS   7  -6.813   1.619   4.427
   48    HG2  LYS   7          2HG       LYS   7  -4.833   3.859   4.835
   49    HG3  LYS   7          1HG       LYS   7  -6.409   3.999   4.073
   50    HD2  LYS   7          2HD       LYS   7  -6.142   3.004   6.907
   51    HD3  LYS   7          1HD       LYS   7  -6.118   4.723   6.554
   52    HE2  LYS   7          2HE       LYS   7  -8.347   4.086   7.195
   53    HE3  LYS   7          1HE       LYS   7  -8.350   4.496   5.490
   54    HZ1  LYS   7          1HZ       LYS   7  -9.672   2.544   5.987
   55    HZ2  LYS   7          2HZ       LYS   7  -8.375   1.729   6.610
   56    HZ3  LYS   7          3HZ       LYS   7  -8.424   2.106   4.971
   57    H    SER   8           H        SER   8  -6.288  -1.083   5.584
   58    HA   SER   8           HA       SER   8  -4.304  -2.844   4.851
   59    HB2  SER   8          2HB       SER   8  -7.236  -3.274   4.698
   60    HB3  SER   8          1HB       SER   8  -5.956  -4.370   5.192
   61    HG   SER   8           HG       SER   8  -6.671  -3.785   7.103
   62    H    CYS   9           H        CYS   9  -3.911  -3.709   2.954
   63    HA   CYS   9           HA       CYS   9  -5.672  -3.319   0.680
   64    HB2  CYS   9          2HB       CYS   9  -4.171  -1.446   0.652
   65    HB3  CYS   9          1HB       CYS   9  -2.793  -2.561   0.688
   66    H    ASP  10           H        ASP  10  -4.438  -4.410  -1.184
   67    HA   ASP  10           HA       ASP  10  -3.242  -6.913  -0.279
   68    HB2  ASP  10          2HB       ASP  10  -5.703  -7.239  -0.626
   69    HB3  ASP  10          1HB       ASP  10  -5.475  -6.754  -2.297
   70    HA   PRO  11           HA       PRO  11  -0.454  -5.415  -3.409
   71    HB2  PRO  11          2HB       PRO  11   0.654  -7.931  -3.912
   72    HB3  PRO  11          1HB       PRO  11   1.274  -6.734  -2.758
   73    HG2  PRO  11          2HG       PRO  11  -0.416  -9.139  -2.307
   74    HG3  PRO  11          1HG       PRO  11   0.792  -8.387  -1.252
   75    HD2  PRO  11          2HD       PRO  11  -1.822  -8.169  -0.816
   76    HD3  PRO  11          1HD       PRO  11  -0.702  -6.838  -0.442
   77    H    LYS  12           H        LYS  12  -2.532  -8.150  -4.002
   78    HA   LYS  12           HA       LYS  12  -2.070  -7.887  -6.870
   79    HB2  LYS  12          2HB       LYS  12  -3.585  -9.946  -5.310
   80    HB3  LYS  12          1HB       LYS  12  -3.449  -9.921  -7.063
   81    HG2  LYS  12          2HG       LYS  12  -1.025 -10.158  -6.905
   82    HG3  LYS  12          1HG       LYS  12  -1.135 -10.179  -5.145
   83    HD2  LYS  12          2HD       LYS  12  -0.893 -12.430  -6.018
   84    HD3  LYS  12          1HD       LYS  12  -2.480 -12.233  -5.279
   85    HE2  LYS  12          2HE       LYS  12  -3.476 -11.930  -7.492
   86    HE3  LYS  12          1HE       LYS  12  -1.883 -12.081  -8.233
   87    HZ1  LYS  12          1HZ       LYS  12  -1.749 -14.328  -7.380
   88    HZ2  LYS  12          2HZ       LYS  12  -3.130 -14.143  -8.333
   89    HZ3  LYS  12          3HZ       LYS  12  -3.267 -14.172  -6.664
   90    H    ASN  13           H        ASN  13  -3.971  -6.506  -4.663
   91    HA   ASN  13           HA       ASN  13  -5.944  -5.753  -6.698
   92    HB2  ASN  13          2HB       ASN  13  -6.783  -7.547  -5.030
   93    HB3  ASN  13          1HB       ASN  13  -6.719  -6.273  -3.831
   94   HD21  ASN  13          1HD2      ASN  13  -8.999  -7.693  -4.771
   95   HD22  ASN  13          2HD2      ASN  13 -10.130  -6.541  -5.399
   96    H    ASP  14           H        ASP  14  -3.749  -4.485  -6.131
   97    HA   ASP  14           HA       ASP  14  -3.599  -2.706  -3.986
   98    HB2  ASP  14          2HB       ASP  14  -1.748  -3.136  -5.525
   99    HB3  ASP  14          1HB       ASP  14  -2.624  -2.262  -6.787
  100    H    LYS  15           H        LYS  15  -4.571  -0.975  -3.509
  101    HA   LYS  15           HA       LYS  15  -6.277   0.412  -5.449
  102    HB2  LYS  15          2HB       LYS  15  -6.737  -0.178  -2.545
  103    HB3  LYS  15          1HB       LYS  15  -7.725   0.896  -3.517
  104    HG2  LYS  15          2HG       LYS  15  -8.302  -1.020  -4.982
  105    HG3  LYS  15          1HG       LYS  15  -7.342  -2.070  -3.942
  106    HD2  LYS  15          2HD       LYS  15  -9.787  -0.507  -3.119
  107    HD3  LYS  15          1HD       LYS  15  -9.732  -2.234  -3.438
  108    HE2  LYS  15          2HE       LYS  15  -8.164  -2.534  -1.576
  109    HE3  LYS  15          1HE       LYS  15  -8.222  -0.801  -1.253
  110    HZ1  LYS  15          1HZ       LYS  15 -10.556  -0.988  -0.745
  111    HZ2  LYS  15          2HZ       LYS  15  -9.703  -2.105   0.196
  112    HZ3  LYS  15          3HZ       LYS  15 -10.548  -2.620  -1.155
  113    H    CYS  16           H        CYS  16  -3.498   0.871  -4.612
  114    HA   CYS  16           HA       CYS  16  -3.608   3.112  -2.822
  115    HB2  CYS  16          2HB       CYS  16  -1.392   1.669  -4.215
  116    HB3  CYS  16          1HB       CYS  16  -1.128   3.166  -3.321
  117    H    CYS  17           H        CYS  17  -2.860   5.176  -3.312
  118    HA   CYS  17           HA       CYS  17  -3.483   6.006  -5.998
  119    HB2  CYS  17          2HB       CYS  17  -3.526   7.246  -3.376
  120    HB3  CYS  17          1HB       CYS  17  -2.605   8.217  -4.500
  121    H    LYS  18           H        LYS  18  -1.923   8.105  -6.263
  122    HA   LYS  18           HA       LYS  18   0.417   7.048  -7.423
  123    HB2  LYS  18          2HB       LYS  18  -0.845   9.005  -8.223
  124    HB3  LYS  18          1HB       LYS  18  -0.371   9.869  -6.772
  125    HG2  LYS  18          2HG       LYS  18   1.902   9.807  -7.403
  126    HG3  LYS  18          1HG       LYS  18   1.524   8.773  -8.793
  127    HD2  LYS  18          2HD       LYS  18   1.819  11.090  -9.534
  128    HD3  LYS  18          1HD       LYS  18   0.151  10.557  -9.738
  129    HE2  LYS  18          2HE       LYS  18  -0.450  11.710  -7.630
  130    HE3  LYS  18          1HE       LYS  18   1.213  12.278  -7.497
  131    HZ1  LYS  18          1HZ       LYS  18  -0.654  12.925  -9.703
  132    HZ2  LYS  18          2HZ       LYS  18   0.927  13.478  -9.549
  133    HZ3  LYS  18          3HZ       LYS  18  -0.239  13.950  -8.417
  134    H    ASN  19           H        ASN  19   2.417   6.868  -6.769
  135    HA   ASN  19           HA       ASN  19   4.324   7.086  -5.607
  136    HB2  ASN  19          2HB       ASN  19   2.740   9.117  -4.146
  137    HB3  ASN  19          1HB       ASN  19   4.334   8.660  -3.510
  138   HD21  ASN  19          1HD2      ASN  19   6.137   9.284  -4.704
  139   HD22  ASN  19          2HD2      ASN  19   6.083  10.464  -5.951
  140    H    TYR  20           H        TYR  20   1.590   5.689  -4.557
  141    HA   TYR  20           HA       TYR  20   2.958   4.419  -2.316
  142    HB2  TYR  20          2HB       TYR  20   0.043   5.022  -2.687
  143    HB3  TYR  20          1HB       TYR  20   0.668   3.928  -1.484
  144    HD1  TYR  20          1HD       TYR  20   1.681   4.733   0.534
  145    HD2  TYR  20          2HD       TYR  20   0.442   7.473  -2.472
  146    HE1  TYR  20          1HE       TYR  20   1.893   6.563   2.132
  147    HE2  TYR  20          2HE       TYR  20   0.656   9.322  -0.878
  148    HH   TYR  20           HH       TYR  20   0.534   9.528   1.647
  149    H    THR  21           H        THR  21   2.221   2.236  -1.994
  150    HA   THR  21           HA       THR  21   0.845   0.745  -4.022
  151    HB   THR  21           HB       THR  21   3.694   0.066  -3.497
  152    HG1  THR  21          1HG       THR  21   2.673   1.964  -5.153
  153   HG21  THR  21          1HG2      THR  21   3.496  -1.246  -5.605
  154   HG22  THR  21          2HG2      THR  21   1.793  -0.781  -5.675
  155   HG23  THR  21          3HG2      THR  21   2.397  -1.754  -4.324
  156    H    CYS  22           H        CYS  22   0.093  -1.108  -2.920
  157    HA   CYS  22           HA       CYS  22   0.887  -1.110  -0.210
  158    HB2  CYS  22          2HB       CYS  22  -0.869  -2.797   0.074
  159    HB3  CYS  22          1HB       CYS  22  -1.426  -1.180  -0.362
  160    H    SER  23           H        SER  23   1.862  -2.431   0.902
  161    HA   SER  23           HA       SER  23   3.644  -4.304  -0.385
  162    HB2  SER  23          2HB       SER  23   4.555  -2.773   1.256
  163    HB3  SER  23          1HB       SER  23   3.337  -3.231   2.434
  164    HG   SER  23           HG       SER  23   5.726  -4.435   1.774
  165    H    ARG  24           H        ARG  24   3.939  -6.476   0.636
  166    HA   ARG  24           HA       ARG  24   1.393  -7.652   1.545
  167    HB2  ARG  24          2HB       ARG  24   2.890  -8.486  -0.477
  168    HB3  ARG  24          1HB       ARG  24   3.795  -9.252   0.826
  169    HG2  ARG  24          2HG       ARG  24   0.868  -9.748   0.169
  170    HG3  ARG  24          1HG       ARG  24   2.198 -10.827  -0.220
  171    HD2  ARG  24          2HD       ARG  24   1.284 -10.040   2.541
  172    HD3  ARG  24          1HD       ARG  24   0.866 -11.541   1.727
  173    HE   ARG  24           HE       ARG  24   3.676 -11.249   1.830
  174   HH11  ARG  24          1HH1      ARG  24   0.951 -12.043   3.990
  175   HH12  ARG  24          2HH1      ARG  24   1.893 -12.985   5.029
  176   HH21  ARG  24          1HH2      ARG  24   4.933 -12.489   3.269
  177   HH22  ARG  24          2HH2      ARG  24   4.251 -13.264   4.634
  178    H    ARG  25           H        ARG  25   4.739  -6.983   2.240
  179    HA   ARG  25           HA       ARG  25   5.158  -8.593   4.489
  180    HB2  ARG  25          2HB       ARG  25   6.854  -7.216   3.186
  181    HB3  ARG  25          1HB       ARG  25   6.229  -5.808   4.039
  182    HG2  ARG  25          2HG       ARG  25   6.733  -7.110   6.146
  183    HG3  ARG  25          1HG       ARG  25   7.700  -8.155   5.084
  184    HD2  ARG  25          2HD       ARG  25   9.163  -6.492   6.035
  185    HD3  ARG  25          1HD       ARG  25   8.922  -6.112   4.326
  186    HE   ARG  25           HE       ARG  25   6.983  -4.720   5.678
  187   HH11  ARG  25          1HH1      ARG  25  10.531  -4.667   5.592
  188   HH12  ARG  25          2HH1      ARG  25  10.615  -3.060   6.183
  189   HH21  ARG  25          1HH2      ARG  25   7.129  -2.618   6.471
  190   HH22  ARG  25          2HH2      ARG  25   8.652  -1.869   6.711
  191    H    ASP  26           H        ASP  26   4.063  -5.266   4.047
  192    HA   ASP  26           HA       ASP  26   3.251  -5.047   6.821
  193    HB2  ASP  26          2HB       ASP  26   3.393  -3.052   4.578
  194    HB3  ASP  26          1HB       ASP  26   2.776  -2.718   6.169
  195    H    ARG  27           H        ARG  27   1.872  -5.642   3.675
  196    HA   ARG  27           HA       ARG  27  -0.054  -5.527   2.727
  197    HB2  ARG  27          2HB       ARG  27  -1.198  -6.259   5.418
  198    HB3  ARG  27          1HB       ARG  27  -1.851  -6.519   3.788
  199    HG2  ARG  27          2HG       ARG  27   0.027  -7.987   3.281
  200    HG3  ARG  27          1HG       ARG  27   0.565  -7.832   4.953
  201    HD2  ARG  27          2HD       ARG  27  -0.644  -9.846   4.782
  202    HD3  ARG  27          1HD       ARG  27  -1.679  -8.710   5.647
  203    HE   ARG  27           HE       ARG  27  -1.975  -9.351   2.777
  204   HH11  ARG  27          1HH1      ARG  27  -3.477  -8.554   5.898
  205   HH12  ARG  27          2HH1      ARG  27  -5.051  -8.868   5.345
  206   HH21  ARG  27          1HH2      ARG  27  -4.108  -9.799   2.081
  207   HH22  ARG  27          2HH2      ARG  27  -5.435  -9.598   3.127
  208    H    TRP  28           H        TRP  28   0.805  -2.997   4.154
  209    HA   TRP  28           HA       TRP  28  -1.804  -1.770   3.894
  210    HB2  TRP  28          2HB       TRP  28  -0.954   0.161   5.213
  211    HB3  TRP  28          1HB       TRP  28  -0.928  -1.332   6.098
  212    HD1  TRP  28           HD       TRP  28   1.936  -0.096   3.809
  213    HE1  TRP  28          1HE       TRP  28   4.022   0.259   5.362
  214    HE3  TRP  28          3HE       TRP  28  -0.213  -0.998   8.243
  215    HZ2  TRP  28          2HZ       TRP  28   4.603   0.198   8.083
  216    HZ3  TRP  28          3HZ       TRP  28   1.098  -0.820  10.300
  217    HH2  TRP  28           HH       TRP  28   3.488  -0.233  10.226
  218    H    CYS  29           H        CYS  29  -1.479   0.593   3.149
  219    HA   CYS  29           HA       CYS  29  -0.235   0.409   0.539
  220    HB2  CYS  29          2HB       CYS  29  -2.530   1.395   1.009
  221    HB3  CYS  29          1HB       CYS  29  -1.702   2.711   1.832
  222    H    LYS  30           H        LYS  30   1.896   0.566   0.659
  223    HA   LYS  30           HA       LYS  30   3.099   2.250   2.675
  224    HB2  LYS  30          2HB       LYS  30   3.594  -0.216   2.253
  225    HB3  LYS  30          1HB       LYS  30   4.335   0.299   0.753
  226    HG2  LYS  30          2HG       LYS  30   5.909   1.649   2.007
  227    HG3  LYS  30          1HG       LYS  30   5.153   1.094   3.514
  228    HD2  LYS  30          2HD       LYS  30   5.652  -1.249   2.825
  229    HD3  LYS  30          1HD       LYS  30   6.551  -0.611   1.451
  230    HE2  LYS  30          2HE       LYS  30   8.078  -1.180   3.221
  231    HE3  LYS  30          1HE       LYS  30   8.040   0.576   3.046
  232    HZ1  LYS  30          1HZ       LYS  30   6.562   0.683   4.942
  233    HZ2  LYS  30          2HZ       LYS  30   7.969  -0.114   5.368
  234    HZ3  LYS  30          3HZ       LYS  30   6.556  -1.000   5.078
  235    H    TYR  31           H        TYR  31   4.590   3.855   2.013
  236    HA   TYR  31           HA       TYR  31   4.148   5.098  -0.490
  237    HB2  TYR  31          2HB       TYR  31   5.052   6.201   1.659
  238    HB3  TYR  31          1HB       TYR  31   6.583   5.424   1.236
  239    HD1  TYR  31          1HD       TYR  31   8.088   6.462  -0.244
  240    HD2  TYR  31          2HD       TYR  31   4.062   7.821  -0.053
  241    HE1  TYR  31          1HE       TYR  31   8.657   8.353  -1.708
  242    HE2  TYR  31          2HE       TYR  31   4.618   9.706  -1.505
  243    HH   TYR  31           HH       TYR  31   6.499  10.976  -2.233
  244    H    TYR  32           H        TYR  32   5.212   4.804  -2.384
  245    HA   TYR  32           HA       TYR  32   6.766   2.415  -2.524
  246    HB2  TYR  32          2HB       TYR  32   5.093   3.020  -4.214
  247    HB3  TYR  32          1HB       TYR  32   6.126   4.336  -4.767
  248    HD1  TYR  32          1HD       TYR  32   8.200   3.811  -5.982
  249    HD2  TYR  32          2HD       TYR  32   5.590   0.776  -4.645
  250    HE1  TYR  32          1HE       TYR  32   9.326   2.209  -7.473
  251    HE2  TYR  32          2HE       TYR  32   6.681  -0.857  -6.115
  252    HH   TYR  32           HH       TYR  32   9.642  -0.178  -7.728
  253    H    LEU  33           H        LEU  33   8.736   2.340  -2.189
  254    HA   LEU  33           HA       LEU  33  10.443   4.693  -2.221
  255    HB2  LEU  33          2HB       LEU  33  11.070   1.839  -1.467
  256    HB3  LEU  33          1HB       LEU  33  12.095   3.227  -1.181
  257    HG   LEU  33           HG       LEU  33   9.413   2.734   0.116
  258   HD11  LEU  33          1HD1      LEU  33  11.125   1.181   0.877
  259   HD12  LEU  33          2HD1      LEU  33  10.692   2.330   2.138
  260   HD13  LEU  33          3HD1      LEU  33  12.199   2.531   1.242
  261   HD21  LEU  33          1HD2      LEU  33  11.472   4.885   0.598
  262   HD22  LEU  33          2HD2      LEU  33  10.014   4.625   1.555
  263   HD23  LEU  33          3HD2      LEU  33   9.885   5.117  -0.133
  264    HN1  NH2  34          1H        LEU  33  10.490   4.986  -4.475
  265    HN2  NH2  34          2H        LEU  33  11.407   3.968  -5.519
  Start of MODEL   15
    1    H1   ASP   1          1HT       ASP   1 -11.724   4.902  -5.259
    2    H2   ASP   1          2HT       ASP   1 -13.034   5.098  -4.196
    3    H3   ASP   1          3HT       ASP   1 -12.009   3.759  -4.068
    4    HA   ASP   1           HA       ASP   1 -11.140   6.540  -3.607
    5    HB2  ASP   1          2HB       ASP   1 -10.971   5.927  -1.289
    6    HB3  ASP   1          1HB       ASP   1 -12.611   5.571  -1.811
    7    H    CYS   2           H        CYS   2  -9.012   6.439  -2.517
    8    HA   CYS   2           HA       CYS   2  -7.542   4.109  -3.427
    9    HB2  CYS   2          2HB       CYS   2  -5.546   5.585  -3.642
   10    HB3  CYS   2          1HB       CYS   2  -6.753   5.793  -4.879
   11    H    LEU   3           H        LEU   3  -5.452   4.012  -2.279
   12    HA   LEU   3           HA       LEU   3  -6.165   4.163   0.554
   13    HB2  LEU   3          2HB       LEU   3  -4.171   2.366  -0.821
   14    HB3  LEU   3          1HB       LEU   3  -4.628   2.307   0.866
   15    HG   LEU   3           HG       LEU   3  -6.436   1.673  -1.467
   16   HD11  LEU   3          1HD1      LEU   3  -6.339  -0.604  -0.652
   17   HD12  LEU   3          2HD1      LEU   3  -5.211  -0.108   0.607
   18   HD13  LEU   3          3HD1      LEU   3  -4.733  -0.017  -1.092
   19   HD21  LEU   3          1HD2      LEU   3  -7.703   2.626   0.361
   20   HD22  LEU   3          2HD2      LEU   3  -6.933   1.521   1.498
   21   HD23  LEU   3          3HD2      LEU   3  -8.004   0.891   0.247
   22    H    GLY   4           H        GLY   4  -4.894   5.301   1.872
   23    HA2  GLY   4          2HA       GLY   4  -2.860   6.744   0.554
   24    HA3  GLY   4          1HA       GLY   4  -3.403   7.049   2.220
   25    H    TRP   5           H        TRP   5  -2.327   5.843   3.957
   26    HA   TRP   5           HA       TRP   5  -0.250   4.176   2.961
   27    HB2  TRP   5          2HB       TRP   5   0.435   6.364   4.023
   28    HB3  TRP   5          1HB       TRP   5  -0.155   5.685   5.529
   29    HD1  TRP   5           HD       TRP   5   0.972   2.843   5.574
   30    HE1  TRP   5          1HE       TRP   5   3.487   2.304   5.652
   31    HE3  TRP   5          3HE       TRP   5   2.747   7.267   3.792
   32    HZ2  TRP   5          2HZ       TRP   5   5.927   3.635   5.050
   33    HZ3  TRP   5          3HZ       TRP   5   5.185   7.565   3.576
   34    HH2  TRP   5           HH       TRP   5   6.732   5.786   4.196
   35    H    PHE   6           H        PHE   6  -1.865   4.733   5.911
   36    HA   PHE   6           HA       PHE   6  -1.326   2.007   6.760
   37    HB2  PHE   6          2HB       PHE   6  -2.791   4.234   8.201
   38    HB3  PHE   6          1HB       PHE   6  -2.283   2.704   8.911
   39    HD1  PHE   6          1HD       PHE   6   0.094   2.252   9.262
   40    HD2  PHE   6          2HD       PHE   6  -1.309   6.029   7.892
   41    HE1  PHE   6          1HE       PHE   6   2.222   3.276   9.898
   42    HE2  PHE   6          2HE       PHE   6   0.823   7.052   8.525
   43    HZ   PHE   6           HZ       PHE   6   2.584   5.677   9.531
   44    H    LYS   7           H        LYS   7  -3.107   2.235   4.601
   45    HA   LYS   7           HA       LYS   7  -5.551   1.135   5.788
   46    HB2  LYS   7          2HB       LYS   7  -4.977   1.908   2.945
   47    HB3  LYS   7          1HB       LYS   7  -6.453   1.197   3.527
   48    HG2  LYS   7          2HG       LYS   7  -5.421   3.891   4.389
   49    HG3  LYS   7          1HG       LYS   7  -6.705   3.622   3.205
   50    HD2  LYS   7          2HD       LYS   7  -8.002   2.431   4.961
   51    HD3  LYS   7          1HD       LYS   7  -6.745   2.849   6.125
   52    HE2  LYS   7          2HE       LYS   7  -8.556   4.396   6.331
   53    HE3  LYS   7          1HE       LYS   7  -7.161   5.235   5.664
   54    HZ1  LYS   7          1HZ       LYS   7  -9.495   4.247   4.092
   55    HZ2  LYS   7          2HZ       LYS   7  -8.163   5.056   3.452
   56    HZ3  LYS   7          3HZ       LYS   7  -9.188   5.849   4.520
   57    H    SER   8           H        SER   8  -6.200  -0.915   5.163
   58    HA   SER   8           HA       SER   8  -4.143  -2.764   4.814
   59    HB2  SER   8          2HB       SER   8  -7.017  -3.301   4.427
   60    HB3  SER   8          1HB       SER   8  -5.788  -4.228   5.274
   61    HG   SER   8           HG       SER   8  -5.713  -2.509   6.857
   62    H    CYS   9           H        CYS   9  -3.529  -3.588   2.959
   63    HA   CYS   9           HA       CYS   9  -5.237  -3.333   0.608
   64    HB2  CYS   9          2HB       CYS   9  -3.718  -1.530   0.494
   65    HB3  CYS   9          1HB       CYS   9  -2.345  -2.641   0.689
   66    H    ASP  10           H        ASP  10  -4.418  -4.551  -1.094
   67    HA   ASP  10           HA       ASP  10  -3.197  -7.105  -0.268
   68    HB2  ASP  10          2HB       ASP  10  -5.683  -7.319  -0.572
   69    HB3  ASP  10          1HB       ASP  10  -5.483  -6.769  -2.234
   70    HA   PRO  11           HA       PRO  11  -0.417  -5.624  -3.404
   71    HB2  PRO  11          2HB       PRO  11   0.679  -8.074  -4.003
   72    HB3  PRO  11          1HB       PRO  11   1.264  -6.993  -2.718
   73    HG2  PRO  11          2HG       PRO  11  -0.522  -9.380  -2.579
   74    HG3  PRO  11          1HG       PRO  11   0.726  -8.838  -1.441
   75    HD2  PRO  11          2HD       PRO  11  -1.869  -8.492  -0.938
   76    HD3  PRO  11          1HD       PRO  11  -0.677  -7.254  -0.477
   77    H    LYS  12           H        LYS  12  -2.524  -8.326  -3.987
   78    HA   LYS  12           HA       LYS  12  -2.030  -8.261  -6.839
   79    HB2  LYS  12          2HB       LYS  12  -4.069  -9.818  -5.260
   80    HB3  LYS  12          1HB       LYS  12  -3.675 -10.071  -6.955
   81    HG2  LYS  12          2HG       LYS  12  -1.473 -10.820  -6.378
   82    HG3  LYS  12          1HG       LYS  12  -1.736 -10.408  -4.681
   83    HD2  LYS  12          2HD       LYS  12  -3.602 -12.049  -4.633
   84    HD3  LYS  12          1HD       LYS  12  -3.184 -12.498  -6.287
   85    HE2  LYS  12          2HE       LYS  12  -0.985 -13.212  -5.573
   86    HE3  LYS  12          1HE       LYS  12  -1.319 -12.665  -3.935
   87    HZ1  LYS  12          1HZ       LYS  12  -1.573 -15.047  -4.156
   88    HZ2  LYS  12          2HZ       LYS  12  -2.752 -14.861  -5.334
   89    HZ3  LYS  12          3HZ       LYS  12  -3.046 -14.342  -3.750
   90    H    ASN  13           H        ASN  13  -3.945  -6.658  -4.650
   91    HA   ASN  13           HA       ASN  13  -5.706  -5.667  -6.801
   92    HB2  ASN  13          2HB       ASN  13  -6.813  -7.348  -5.171
   93    HB3  ASN  13          1HB       ASN  13  -6.667  -6.082  -3.964
   94   HD21  ASN  13          1HD2      ASN  13  -9.070  -7.256  -4.973
   95   HD22  ASN  13          2HD2      ASN  13 -10.010  -5.997  -5.677
   96    H    ASP  14           H        ASP  14  -3.426  -4.580  -6.133
   97    HA   ASP  14           HA       ASP  14  -3.296  -2.730  -4.036
   98    HB2  ASP  14          2HB       ASP  14  -1.421  -3.395  -5.470
   99    HB3  ASP  14          1HB       ASP  14  -2.130  -2.425  -6.774
  100    H    LYS  15           H        LYS  15  -4.343  -1.040  -3.686
  101    HA   LYS  15           HA       LYS  15  -5.661   0.448  -5.847
  102    HB2  LYS  15          2HB       LYS  15  -7.173  -1.009  -4.429
  103    HB3  LYS  15          1HB       LYS  15  -6.796   0.055  -3.077
  104    HG2  LYS  15          2HG       LYS  15  -7.679   1.942  -4.257
  105    HG3  LYS  15          1HG       LYS  15  -7.950   0.927  -5.674
  106    HD2  LYS  15          2HD       LYS  15 -10.060   1.333  -4.500
  107    HD3  LYS  15          1HD       LYS  15  -9.626  -0.371  -4.391
  108    HE2  LYS  15          2HE       LYS  15  -8.870  -0.073  -2.119
  109    HE3  LYS  15          1HE       LYS  15  -9.079   1.671  -2.239
  110    HZ1  LYS  15          1HZ       LYS  15 -11.328  -0.246  -2.521
  111    HZ2  LYS  15          2HZ       LYS  15 -11.417   1.441  -2.286
  112    HZ3  LYS  15          3HZ       LYS  15 -10.880   0.450  -1.065
  113    H    CYS  16           H        CYS  16  -3.148   0.731  -4.612
  114    HA   CYS  16           HA       CYS  16  -3.186   2.744  -2.655
  115    HB2  CYS  16          2HB       CYS  16  -1.118   1.501  -4.353
  116    HB3  CYS  16          1HB       CYS  16  -0.764   2.984  -3.461
  117    H    CYS  17           H        CYS  17  -2.675   4.870  -2.758
  118    HA   CYS  17           HA       CYS  17  -3.723   6.047  -5.130
  119    HB2  CYS  17          2HB       CYS  17  -4.029   6.677  -2.530
  120    HB3  CYS  17          1HB       CYS  17  -2.699   7.743  -2.927
  121    H    LYS  18           H        LYS  18  -2.298   8.489  -4.896
  122    HA   LYS  18           HA       LYS  18  -0.430   8.042  -6.909
  123    HB2  LYS  18          2HB       LYS  18  -1.710  10.087  -6.511
  124    HB3  LYS  18          1HB       LYS  18  -0.634  10.443  -5.165
  125    HG2  LYS  18          2HG       LYS  18   1.239  10.523  -6.565
  126    HG3  LYS  18          1HG       LYS  18   0.292   9.904  -7.919
  127    HD2  LYS  18          2HD       LYS  18  -0.290  12.500  -6.562
  128    HD3  LYS  18          1HD       LYS  18   0.825  12.376  -7.935
  129    HE2  LYS  18          2HE       LYS  18  -1.256  13.058  -8.869
  130    HE3  LYS  18          1HE       LYS  18  -1.140  11.341  -9.205
  131    HZ1  LYS  18          1HZ       LYS  18  -2.688  12.509  -6.954
  132    HZ2  LYS  18          2HZ       LYS  18  -2.769  10.891  -7.478
  133    HZ3  LYS  18          3HZ       LYS  18  -3.334  12.127  -8.436
  134    H    ASN  19           H        ASN  19   1.385   7.096  -6.827
  135    HA   ASN  19           HA       ASN  19   3.516   6.595  -6.450
  136    HB2  ASN  19          2HB       ASN  19   3.612   9.120  -6.131
  137    HB3  ASN  19          1HB       ASN  19   3.759   8.787  -4.408
  138   HD21  ASN  19          1HD2      ASN  19   5.881   9.478  -4.194
  139   HD22  ASN  19          2HD2      ASN  19   7.218   8.644  -4.897
  140    H    TYR  20           H        TYR  20   1.322   5.744  -4.717
  141    HA   TYR  20           HA       TYR  20   2.932   4.574  -2.554
  142    HB2  TYR  20          2HB       TYR  20  -0.037   4.785  -2.947
  143    HB3  TYR  20          1HB       TYR  20   0.691   3.770  -1.727
  144    HD1  TYR  20          1HD       TYR  20   2.047   4.898   0.102
  145    HD2  TYR  20          2HD       TYR  20  -0.481   7.041  -2.551
  146    HE1  TYR  20          1HE       TYR  20   1.923   6.725   1.719
  147    HE2  TYR  20          2HE       TYR  20  -0.614   8.884  -0.948
  148    HH   TYR  20           HH       TYR  20  -0.397   9.107   1.515
  149    H    THR  21           H        THR  21   2.340   2.228  -2.115
  150    HA   THR  21           HA       THR  21   1.270   0.541  -4.153
  151    HB   THR  21           HB       THR  21   4.151   0.155  -3.531
  152    HG1  THR  21          1HG       THR  21   3.042   1.951  -5.250
  153   HG21  THR  21          1HG2      THR  21   2.999  -1.763  -4.395
  154   HG22  THR  21          2HG2      THR  21   4.151  -1.182  -5.610
  155   HG23  THR  21          3HG2      THR  21   2.432  -0.828  -5.788
  156    H    CYS  22           H        CYS  22   0.627  -1.282  -2.969
  157    HA   CYS  22           HA       CYS  22   1.318  -1.046  -0.236
  158    HB2  CYS  22          2HB       CYS  22  -0.380  -2.722   0.150
  159    HB3  CYS  22          1HB       CYS  22  -0.980  -1.206  -0.518
  160    H    SER  23           H        SER  23   1.847  -2.557   1.165
  161    HA   SER  23           HA       SER  23   3.843  -4.408   0.160
  162    HB2  SER  23          2HB       SER  23   4.481  -2.804   1.935
  163    HB3  SER  23          1HB       SER  23   3.160  -3.388   2.936
  164    HG   SER  23           HG       SER  23   5.655  -4.401   2.533
  165    H    ARG  24           H        ARG  24   3.864  -6.552   1.155
  166    HA   ARG  24           HA       ARG  24   1.144  -7.530   1.668
  167    HB2  ARG  24          2HB       ARG  24   2.692  -8.418  -0.247
  168    HB3  ARG  24          1HB       ARG  24   3.507  -9.259   1.068
  169    HG2  ARG  24          2HG       ARG  24   0.576  -9.583   0.377
  170    HG3  ARG  24          1HG       ARG  24   1.850 -10.687  -0.134
  171    HD2  ARG  24          2HD       ARG  24   1.117 -10.038   2.705
  172    HD3  ARG  24          1HD       ARG  24   0.512 -11.434   1.824
  173    HE   ARG  24           HE       ARG  24   3.074 -11.845   1.560
  174   HH11  ARG  24          1HH1      ARG  24   1.570 -10.517   4.475
  175   HH12  ARG  24          2HH1      ARG  24   2.435 -11.493   5.561
  176   HH21  ARG  24          1HH2      ARG  24   4.299 -13.206   3.074
  177   HH22  ARG  24          2HH2      ARG  24   4.002 -13.068   4.742
  178    H    ARG  25           H        ARG  25   4.463  -7.424   2.740
  179    HA   ARG  25           HA       ARG  25   4.237  -9.112   4.981
  180    HB2  ARG  25          2HB       ARG  25   6.298  -7.983   3.704
  181    HB3  ARG  25          1HB       ARG  25   6.077  -6.752   4.930
  182    HG2  ARG  25          2HG       ARG  25   6.715  -9.661   5.377
  183    HG3  ARG  25          1HG       ARG  25   7.810  -8.300   5.562
  184    HD2  ARG  25          2HD       ARG  25   5.370  -8.905   7.232
  185    HD3  ARG  25          1HD       ARG  25   7.049  -9.089   7.725
  186    HE   ARG  25           HE       ARG  25   6.645  -6.441   6.954
  187   HH11  ARG  25          1HH1      ARG  25   5.862  -8.651   9.590
  188   HH12  ARG  25          2HH1      ARG  25   5.431  -7.433  10.697
  189   HH21  ARG  25          1HH2      ARG  25   6.000  -4.742   8.457
  190   HH22  ARG  25          2HH2      ARG  25   5.550  -5.182  10.039
  191    H    ASP  26           H        ASP  26   4.163  -5.542   4.559
  192    HA   ASP  26           HA       ASP  26   3.202  -5.162   7.224
  193    HB2  ASP  26          2HB       ASP  26   3.593  -3.174   4.976
  194    HB3  ASP  26          1HB       ASP  26   3.149  -2.828   6.611
  195    H    ARG  27           H        ARG  27   1.829  -5.772   4.113
  196    HA   ARG  27           HA       ARG  27   0.003  -5.357   3.077
  197    HB2  ARG  27          2HB       ARG  27  -0.707  -6.645   5.596
  198    HB3  ARG  27          1HB       ARG  27  -2.024  -5.942   4.639
  199    HG2  ARG  27          2HG       ARG  27  -1.337  -7.277   2.730
  200    HG3  ARG  27          1HG       ARG  27   0.012  -7.925   3.665
  201    HD2  ARG  27          2HD       ARG  27  -1.602  -8.868   5.264
  202    HD3  ARG  27          1HD       ARG  27  -2.915  -8.285   4.250
  203    HE   ARG  27           HE       ARG  27  -2.084  -9.776   2.494
  204   HH11  ARG  27          1HH1      ARG  27  -1.001 -10.428   5.825
  205   HH12  ARG  27          2HH1      ARG  27  -0.864 -12.109   5.589
  206   HH21  ARG  27          1HH2      ARG  27  -1.843 -12.094   2.178
  207   HH22  ARG  27          2HH2      ARG  27  -1.352 -13.069   3.500
  208    H    TRP  28           H        TRP  28   0.910  -2.939   4.408
  209    HA   TRP  28           HA       TRP  28  -1.628  -1.538   4.115
  210    HB2  TRP  28          2HB       TRP  28  -0.539   0.419   5.209
  211    HB3  TRP  28          1HB       TRP  28  -0.638  -0.989   6.235
  212    HD1  TRP  28           HD       TRP  28   2.284  -0.453   3.760
  213    HE1  TRP  28          1HE       TRP  28   4.446  -0.163   5.188
  214    HE3  TRP  28          3HE       TRP  28   0.155  -0.330   8.289
  215    HZ2  TRP  28          2HZ       TRP  28   5.090   0.131   7.930
  216    HZ3  TRP  28          3HZ       TRP  28   1.548  -0.025  10.308
  217    HH2  TRP  28           HH       TRP  28   3.979   0.197  10.121
  218    H    CYS  29           H        CYS  29  -1.126   0.723   3.177
  219    HA   CYS  29           HA       CYS  29   0.077   0.254   0.555
  220    HB2  CYS  29          2HB       CYS  29  -2.208   1.257   0.888
  221    HB3  CYS  29          1HB       CYS  29  -1.426   2.614   1.685
  222    H    LYS  30           H        LYS  30   2.173   0.458   0.511
  223    HA   LYS  30           HA       LYS  30   3.498   2.120   2.453
  224    HB2  LYS  30          2HB       LYS  30   4.087  -0.260   1.995
  225    HB3  LYS  30          1HB       LYS  30   4.467   0.186   0.347
  226    HG2  LYS  30          2HG       LYS  30   6.256   1.619   1.172
  227    HG3  LYS  30          1HG       LYS  30   5.863   1.103   2.824
  228    HD2  LYS  30          2HD       LYS  30   6.298  -1.228   2.204
  229    HD3  LYS  30          1HD       LYS  30   6.718  -0.722   0.571
  230    HE2  LYS  30          2HE       LYS  30   8.570   0.607   1.485
  231    HE3  LYS  30          1HE       LYS  30   8.137   0.055   3.102
  232    HZ1  LYS  30          1HZ       LYS  30   9.925  -1.271   2.269
  233    HZ2  LYS  30          2HZ       LYS  30   9.096  -1.607   0.860
  234    HZ3  LYS  30          3HZ       LYS  30   8.540  -2.237   2.325
  235    H    TYR  31           H        TYR  31   4.856   3.841   1.711
  236    HA   TYR  31           HA       TYR  31   4.015   5.047  -0.736
  237    HB2  TYR  31          2HB       TYR  31   4.828   6.252   1.402
  238    HB3  TYR  31          1HB       TYR  31   6.447   5.808   0.863
  239    HD1  TYR  31          1HD       TYR  31   3.388   7.356  -0.614
  240    HD2  TYR  31          2HD       TYR  31   7.617   7.484  -0.228
  241    HE1  TYR  31          1HE       TYR  31   3.436   9.368  -1.989
  242    HE2  TYR  31          2HE       TYR  31   7.677   9.515  -1.611
  243    HH   TYR  31           HH       TYR  31   4.915  11.308  -2.359
  244    H    TYR  32           H        TYR  32   5.082   5.058  -2.698
  245    HA   TYR  32           HA       TYR  32   6.936   2.936  -3.018
  246    HB2  TYR  32          2HB       TYR  32   5.337   3.230  -4.757
  247    HB3  TYR  32          1HB       TYR  32   5.755   4.914  -4.971
  248    HD1  TYR  32          1HD       TYR  32   7.019   1.464  -5.368
  249    HD2  TYR  32          2HD       TYR  32   7.422   5.532  -6.465
  250    HE1  TYR  32          1HE       TYR  32   8.600   0.815  -7.130
  251    HE2  TYR  32          2HE       TYR  32   8.999   4.924  -8.235
  252    HH   TYR  32           HH       TYR  32  10.513   3.117  -8.734
  253    H    LEU  33           H        LEU  33   8.937   2.982  -3.018
  254    HA   LEU  33           HA       LEU  33  10.332   5.507  -2.561
  255    HB2  LEU  33          2HB       LEU  33  11.267   2.697  -1.991
  256    HB3  LEU  33          1HB       LEU  33  12.019   4.182  -1.455
  257    HG   LEU  33           HG       LEU  33   9.349   3.116  -0.538
  258   HD11  LEU  33          1HD1      LEU  33  10.450   2.831   1.616
  259   HD12  LEU  33          2HD1      LEU  33  11.981   3.322   0.894
  260   HD13  LEU  33          3HD1      LEU  33  11.187   1.843   0.353
  261   HD21  LEU  33          1HD2      LEU  33   9.402   4.955   1.108
  262   HD22  LEU  33          2HD2      LEU  33   9.303   5.540  -0.550
  263   HD23  LEU  33          3HD2      LEU  33  10.838   5.606   0.314
  264    HN1  NH2  34          1H        LEU  33  10.649   6.099  -4.664
  265    HN2  NH2  34          2H        LEU  33  11.648   5.238  -5.778
  Start of MODEL   16
    1    H1   ASP   1          1HT       ASP   1 -11.309   3.820  -5.262
    2    H2   ASP   1          2HT       ASP   1 -12.800   4.281  -4.628
    3    H3   ASP   1          3HT       ASP   1 -11.849   3.070  -3.875
    4    HA   ASP   1           HA       ASP   1 -10.972   5.849  -4.179
    5    HB2  ASP   1          2HB       ASP   1 -11.965   4.375  -1.719
    6    HB3  ASP   1          1HB       ASP   1 -11.189   5.946  -1.688
    7    H    CYS   2           H        CYS   2  -8.986   6.169  -3.097
    8    HA   CYS   2           HA       CYS   2  -7.476   3.709  -3.175
    9    HB2  CYS   2          2HB       CYS   2  -5.485   5.180  -3.297
   10    HB3  CYS   2          1HB       CYS   2  -6.553   5.312  -4.665
   11    H    LEU   3           H        LEU   3  -5.392   4.178  -1.723
   12    HA   LEU   3           HA       LEU   3  -6.508   4.450   0.956
   13    HB2  LEU   3          2HB       LEU   3  -4.457   2.574  -0.119
   14    HB3  LEU   3          1HB       LEU   3  -4.917   2.677   1.576
   15    HG   LEU   3           HG       LEU   3  -6.705   1.806  -0.708
   16   HD11  LEU   3          1HD1      LEU   3  -5.500   0.263   1.553
   17   HD12  LEU   3          2HD1      LEU   3  -5.047   0.171  -0.153
   18   HD13  LEU   3          3HD1      LEU   3  -6.647  -0.362   0.369
   19   HD21  LEU   3          1HD2      LEU   3  -7.275   1.986   2.249
   20   HD22  LEU   3          2HD2      LEU   3  -8.310   1.205   1.059
   21   HD23  LEU   3          3HD2      LEU   3  -8.028   2.944   0.970
   22    H    GLY   4           H        GLY   4  -5.034   5.187   2.511
   23    HA2  GLY   4          2HA       GLY   4  -3.085   6.892   1.310
   24    HA3  GLY   4          1HA       GLY   4  -3.699   7.058   2.963
   25    H    TRP   5           H        TRP   5  -2.844   5.406   4.614
   26    HA   TRP   5           HA       TRP   5  -0.470   4.194   3.664
   27    HB2  TRP   5          2HB       TRP   5  -0.278   6.450   4.881
   28    HB3  TRP   5          1HB       TRP   5  -0.627   5.500   6.311
   29    HD1  TRP   5           HD       TRP   5   1.109   3.078   6.194
   30    HE1  TRP   5          1HE       TRP   5   3.690   3.126   6.046
   31    HE3  TRP   5          3HE       TRP   5   1.694   7.772   4.323
   32    HZ2  TRP   5          2HZ       TRP   5   5.704   4.954   5.235
   33    HZ3  TRP   5          3HZ       TRP   5   3.966   8.606   3.886
   34    HH2  TRP   5           HH       TRP   5   5.925   7.221   4.333
   35    H    PHE   6           H        PHE   6  -1.921   4.336   6.756
   36    HA   PHE   6           HA       PHE   6  -1.332   1.491   7.125
   37    HB2  PHE   6          2HB       PHE   6  -2.654   3.423   9.053
   38    HB3  PHE   6          1HB       PHE   6  -2.015   1.829   9.449
   39    HD1  PHE   6          1HD       PHE   6   0.476   1.465   9.160
   40    HD2  PHE   6          2HD       PHE   6  -1.364   5.301   9.170
   41    HE1  PHE   6          1HE       PHE   6   2.625   2.492   9.719
   42    HE2  PHE   6          2HE       PHE   6   0.787   6.335   9.718
   43    HZ   PHE   6           HZ       PHE   6   2.781   4.927   9.998
   44    H    LYS   7           H        LYS   7  -3.298   2.099   5.231
   45    HA   LYS   7           HA       LYS   7  -5.689   0.879   6.393
   46    HB2  LYS   7          2HB       LYS   7  -5.247   1.884   3.599
   47    HB3  LYS   7          1HB       LYS   7  -6.750   1.345   4.288
   48    HG2  LYS   7          2HG       LYS   7  -5.258   3.818   5.162
   49    HG3  LYS   7          1HG       LYS   7  -6.716   3.787   4.170
   50    HD2  LYS   7          2HD       LYS   7  -7.939   2.721   6.024
   51    HD3  LYS   7          1HD       LYS   7  -6.479   2.781   7.009
   52    HE2  LYS   7          2HE       LYS   7  -7.904   4.612   7.631
   53    HE3  LYS   7          1HE       LYS   7  -6.487   5.242   6.795
   54    HZ1  LYS   7          1HZ       LYS   7  -9.135   4.811   5.544
   55    HZ2  LYS   7          2HZ       LYS   7  -7.824   5.530   4.793
   56    HZ3  LYS   7          3HZ       LYS   7  -8.592   6.287   6.102
   57    H    SER   8           H        SER   8  -6.335  -1.134   5.619
   58    HA   SER   8           HA       SER   8  -4.210  -2.848   5.041
   59    HB2  SER   8          2HB       SER   8  -7.140  -3.369   5.024
   60    HB3  SER   8          1HB       SER   8  -5.820  -4.473   5.330
   61    HG   SER   8           HG       SER   8  -6.821  -2.483   7.052
   62    H    CYS   9           H        CYS   9  -3.839  -3.831   3.195
   63    HA   CYS   9           HA       CYS   9  -5.578  -3.655   0.899
   64    HB2  CYS   9          2HB       CYS   9  -4.446  -1.546   0.898
   65    HB3  CYS   9          1HB       CYS   9  -2.887  -2.387   0.908
   66    H    ASP  10           H        ASP  10  -4.274  -4.526  -0.929
   67    HA   ASP  10           HA       ASP  10  -2.402  -6.593  -0.115
   68    HB2  ASP  10          2HB       ASP  10  -4.637  -7.573  -0.071
   69    HB3  ASP  10          1HB       ASP  10  -4.855  -7.114  -1.751
   70    HA   PRO  11           HA       PRO  11  -0.303  -4.751  -3.558
   71    HB2  PRO  11          2HB       PRO  11   1.234  -7.024  -4.068
   72    HB3  PRO  11          1HB       PRO  11   1.692  -5.663  -3.034
   73    HG2  PRO  11          2HG       PRO  11   0.620  -8.334  -2.287
   74    HG3  PRO  11          1HG       PRO  11   1.707  -7.237  -1.415
   75    HD2  PRO  11          2HD       PRO  11  -0.838  -7.589  -0.726
   76    HD3  PRO  11          1HD       PRO  11  -0.005  -6.035  -0.512
   77    H    LYS  12           H        LYS  12  -1.812  -7.867  -3.742
   78    HA   LYS  12           HA       LYS  12  -1.572  -8.104  -6.612
   79    HB2  LYS  12          2HB       LYS  12  -3.090  -9.733  -4.577
   80    HB3  LYS  12          1HB       LYS  12  -2.923 -10.149  -6.275
   81    HG2  LYS  12          2HG       LYS  12  -0.559 -10.452  -6.036
   82    HG3  LYS  12          1HG       LYS  12  -0.602  -9.828  -4.390
   83    HD2  LYS  12          2HD       LYS  12  -0.440 -12.277  -4.447
   84    HD3  LYS  12          1HD       LYS  12  -1.917 -11.733  -3.668
   85    HE2  LYS  12          2HE       LYS  12  -3.182 -12.199  -5.695
   86    HE3  LYS  12          1HE       LYS  12  -1.705 -12.667  -6.536
   87    HZ1  LYS  12          1HZ       LYS  12  -2.885 -14.045  -4.179
   88    HZ2  LYS  12          2HZ       LYS  12  -1.463 -14.501  -4.966
   89    HZ3  LYS  12          3HZ       LYS  12  -2.926 -14.585  -5.767
   90    H    ASN  13           H        ASN  13  -3.508  -6.468  -4.499
   91    HA   ASN  13           HA       ASN  13  -5.613  -5.991  -6.483
   92    HB2  ASN  13          2HB       ASN  13  -6.203  -7.759  -4.744
   93    HB3  ASN  13          1HB       ASN  13  -6.029  -6.512  -3.532
   94   HD21  ASN  13          1HD2      ASN  13  -8.312  -8.126  -4.176
   95   HD22  ASN  13          2HD2      ASN  13  -9.595  -7.059  -4.595
   96    H    ASP  14           H        ASP  14  -3.436  -4.527  -6.095
   97    HA   ASP  14           HA       ASP  14  -3.331  -2.730  -3.946
   98    HB2  ASP  14          2HB       ASP  14  -1.459  -3.048  -5.528
   99    HB3  ASP  14          1HB       ASP  14  -2.385  -2.139  -6.736
  100    H    LYS  15           H        LYS  15  -4.448  -1.199  -3.401
  101    HA   LYS  15           HA       LYS  15  -6.217   0.187  -5.276
  102    HB2  LYS  15          2HB       LYS  15  -6.733  -0.869  -2.527
  103    HB3  LYS  15          1HB       LYS  15  -7.684   0.435  -3.206
  104    HG2  LYS  15          2HG       LYS  15  -7.395  -2.318  -4.429
  105    HG3  LYS  15          1HG       LYS  15  -8.763  -1.796  -3.442
  106    HD2  LYS  15          2HD       LYS  15  -9.199   0.012  -5.094
  107    HD3  LYS  15          1HD       LYS  15  -7.908  -0.640  -6.098
  108    HE2  LYS  15          2HE       LYS  15 -10.383  -2.147  -5.262
  109    HE3  LYS  15          1HE       LYS  15 -10.152  -1.361  -6.821
  110    HZ1  LYS  15          1HZ       LYS  15  -8.534  -3.646  -5.773
  111    HZ2  LYS  15          2HZ       LYS  15  -8.287  -2.864  -7.240
  112    HZ3  LYS  15          3HZ       LYS  15  -9.692  -3.711  -6.980
  113    H    CYS  16           H        CYS  16  -3.544   0.827  -4.341
  114    HA   CYS  16           HA       CYS  16  -3.957   3.002  -2.501
  115    HB2  CYS  16          2HB       CYS  16  -1.554   1.811  -3.825
  116    HB3  CYS  16          1HB       CYS  16  -1.465   3.314  -2.910
  117    H    CYS  17           H        CYS  17  -2.934   5.101  -3.076
  118    HA   CYS  17           HA       CYS  17  -3.776   5.821  -5.737
  119    HB2  CYS  17          2HB       CYS  17  -3.568   7.219  -3.189
  120    HB3  CYS  17          1HB       CYS  17  -2.827   8.119  -4.494
  121    H    LYS  18           H        LYS  18  -2.214   7.876  -6.230
  122    HA   LYS  18           HA       LYS  18   0.053   6.723  -7.394
  123    HB2  LYS  18          2HB       LYS  18  -1.159   8.609  -8.335
  124    HB3  LYS  18          1HB       LYS  18  -0.718   9.590  -6.945
  125    HG2  LYS  18          2HG       LYS  18   1.570   9.459  -7.516
  126    HG3  LYS  18          1HG       LYS  18   1.203   8.371  -8.863
  127    HD2  LYS  18          2HD       LYS  18  -0.156  10.146  -9.886
  128    HD3  LYS  18          1HD       LYS  18   0.288  11.232  -8.568
  129    HE2  LYS  18          2HE       LYS  18   1.658  11.626 -10.569
  130    HE3  LYS  18          1HE       LYS  18   2.633  11.085  -9.202
  131    HZ1  LYS  18          1HZ       LYS  18   1.698   9.352 -11.430
  132    HZ2  LYS  18          2HZ       LYS  18   2.689   8.876 -10.145
  133    HZ3  LYS  18          3HZ       LYS  18   3.251   9.986 -11.264
  134    H    ASN  19           H        ASN  19   2.163   6.707  -6.772
  135    HA   ASN  19           HA       ASN  19   4.060   6.981  -5.637
  136    HB2  ASN  19          2HB       ASN  19   3.377   9.383  -5.638
  137    HB3  ASN  19          1HB       ASN  19   2.660   9.143  -4.062
  138   HD21  ASN  19          1HD2      ASN  19   3.939   9.106  -2.292
  139   HD22  ASN  19          2HD2      ASN  19   5.629   9.440  -2.298
  140    H    TYR  20           H        TYR  20   1.440   5.682  -4.557
  141    HA   TYR  20           HA       TYR  20   2.780   4.545  -2.230
  142    HB2  TYR  20          2HB       TYR  20  -0.126   5.244  -2.522
  143    HB3  TYR  20          1HB       TYR  20   0.507   4.181  -1.297
  144    HD1  TYR  20          1HD       TYR  20   1.874   5.035   0.537
  145    HD2  TYR  20          2HD       TYR  20   0.225   7.679  -2.354
  146    HE1  TYR  20          1HE       TYR  20   2.353   6.921   2.008
  147    HE2  TYR  20          2HE       TYR  20   0.698   9.578  -0.899
  148    HH   TYR  20           HH       TYR  20   1.009   9.899   1.681
  149    H    THR  21           H        THR  21   1.985   2.408  -1.743
  150    HA   THR  21           HA       THR  21   0.395   0.928  -3.494
  151    HB   THR  21           HB       THR  21   2.278   1.077  -4.943
  152    HG1  THR  21          1HG       THR  21   1.014  -0.967  -4.549
  153   HG21  THR  21          1HG2      THR  21   4.139   1.368  -3.404
  154   HG22  THR  21          2HG2      THR  21   4.467  -0.039  -4.421
  155   HG23  THR  21          3HG2      THR  21   3.900  -0.258  -2.766
  156    H    CYS  22           H        CYS  22   0.001  -1.079  -2.678
  157    HA   CYS  22           HA       CYS  22   0.717  -1.077   0.075
  158    HB2  CYS  22          2HB       CYS  22  -1.011  -2.865   0.229
  159    HB3  CYS  22          1HB       CYS  22  -1.551  -1.199  -0.037
  160    H    SER  23           H        SER  23   1.659  -2.431   1.195
  161    HA   SER  23           HA       SER  23   3.575  -4.157  -0.088
  162    HB2  SER  23          2HB       SER  23   4.317  -2.652   1.643
  163    HB3  SER  23          1HB       SER  23   3.066  -3.223   2.733
  164    HG   SER  23           HG       SER  23   5.501  -4.043   2.609
  165    H    ARG  24           H        ARG  24   3.944  -6.350   0.786
  166    HA   ARG  24           HA       ARG  24   1.459  -7.689   1.639
  167    HB2  ARG  24          2HB       ARG  24   2.657  -8.523  -0.419
  168    HB3  ARG  24          1HB       ARG  24   4.007  -8.881   0.655
  169    HG2  ARG  24          2HG       ARG  24   2.806 -10.941   0.215
  170    HG3  ARG  24          1HG       ARG  24   2.575 -10.476   1.896
  171    HD2  ARG  24          2HD       ARG  24   0.353  -9.521   1.279
  172    HD3  ARG  24          1HD       ARG  24   0.593 -10.109  -0.368
  173    HE   ARG  24           HE       ARG  24   0.806 -12.062   1.760
  174   HH11  ARG  24          1HH1      ARG  24  -1.507 -10.641  -0.629
  175   HH12  ARG  24          2HH1      ARG  24  -2.455 -12.025  -0.648
  176   HH21  ARG  24          1HH2      ARG  24  -0.635 -13.908   1.671
  177   HH22  ARG  24          2HH2      ARG  24  -2.010 -13.879   0.673
  178    H    ARG  25           H        ARG  25   4.691  -6.769   2.487
  179    HA   ARG  25           HA       ARG  25   5.104  -8.525   4.673
  180    HB2  ARG  25          2HB       ARG  25   6.887  -7.167   3.513
  181    HB3  ARG  25          1HB       ARG  25   6.184  -5.728   4.257
  182    HG2  ARG  25          2HG       ARG  25   6.502  -6.923   6.440
  183    HG3  ARG  25          1HG       ARG  25   7.526  -8.043   5.527
  184    HD2  ARG  25          2HD       ARG  25   9.042  -6.457   6.425
  185    HD3  ARG  25          1HD       ARG  25   8.796  -5.944   4.759
  186    HE   ARG  25           HE       ARG  25   7.034  -4.386   5.819
  187   HH11  ARG  25          1HH1      ARG  25  10.185  -5.185   7.294
  188   HH12  ARG  25          2HH1      ARG  25  10.170  -3.824   8.319
  189   HH21  ARG  25          1HH2      ARG  25   7.054  -2.579   7.282
  190   HH22  ARG  25          2HH2      ARG  25   8.407  -2.317   8.308
  191    H    ASP  26           H        ASP  26   4.101  -5.186   4.245
  192    HA   ASP  26           HA       ASP  26   3.324  -4.926   7.002
  193    HB2  ASP  26          2HB       ASP  26   3.297  -2.953   4.713
  194    HB3  ASP  26          1HB       ASP  26   2.992  -2.606   6.394
  195    H    ARG  27           H        ARG  27   1.890  -5.627   3.889
  196    HA   ARG  27           HA       ARG  27  -0.034  -5.450   2.951
  197    HB2  ARG  27          2HB       ARG  27  -1.158  -6.312   5.603
  198    HB3  ARG  27          1HB       ARG  27  -1.828  -6.508   3.977
  199    HG2  ARG  27          2HG       ARG  27   0.328  -7.821   3.486
  200    HG3  ARG  27          1HG       ARG  27   0.451  -7.954   5.238
  201    HD2  ARG  27          2HD       ARG  27  -0.682  -9.899   4.566
  202    HD3  ARG  27          1HD       ARG  27  -1.942  -8.822   5.169
  203    HE   ARG  27           HE       ARG  27  -1.529  -8.560   2.346
  204   HH11  ARG  27          1HH1      ARG  27  -3.292 -10.435   4.789
  205   HH12  ARG  27          2HH1      ARG  27  -4.418 -11.059   3.679
  206   HH21  ARG  27          1HH2      ARG  27  -3.093  -9.494   0.806
  207   HH22  ARG  27          2HH2      ARG  27  -4.310 -10.501   1.405
  208    H    TRP  28           H        TRP  28   0.730  -2.947   4.490
  209    HA   TRP  28           HA       TRP  28  -1.894  -1.760   4.134
  210    HB2  TRP  28          2HB       TRP  28  -1.135   0.148   5.544
  211    HB3  TRP  28          1HB       TRP  28  -1.109  -1.372   6.369
  212    HD1  TRP  28           HD       TRP  28   1.749   0.230   4.292
  213    HE1  TRP  28          1HE       TRP  28   3.782   0.454   5.925
  214    HE3  TRP  28          3HE       TRP  28  -0.476  -1.424   8.445
  215    HZ2  TRP  28          2HZ       TRP  28   4.291  -0.027   8.659
  216    HZ3  TRP  28          3HZ       TRP  28   0.743  -1.523  10.544
  217    HH2  TRP  28           HH       TRP  28   3.118  -0.830  10.668
  218    H    CYS  29           H        CYS  29  -1.544   0.627   3.471
  219    HA   CYS  29           HA       CYS  29  -0.301   0.481   0.860
  220    HB2  CYS  29          2HB       CYS  29  -2.561   1.549   1.398
  221    HB3  CYS  29          1HB       CYS  29  -1.649   2.835   2.181
  222    H    LYS  30           H        LYS  30   1.813   0.732   0.813
  223    HA   LYS  30           HA       LYS  30   3.039   2.327   2.879
  224    HB2  LYS  30          2HB       LYS  30   3.485  -0.152   2.504
  225    HB3  LYS  30          1HB       LYS  30   4.266   0.322   1.007
  226    HG2  LYS  30          2HG       LYS  30   5.908   1.550   2.176
  227    HG3  LYS  30          1HG       LYS  30   5.051   1.307   3.712
  228    HD2  LYS  30          2HD       LYS  30   5.344  -1.152   3.412
  229    HD3  LYS  30          1HD       LYS  30   6.334  -0.818   1.996
  230    HE2  LYS  30          2HE       LYS  30   7.956   0.336   3.368
  231    HE3  LYS  30          1HE       LYS  30   6.937   0.124   4.794
  232    HZ1  LYS  30          1HZ       LYS  30   7.154  -2.279   4.516
  233    HZ2  LYS  30          2HZ       LYS  30   8.672  -1.550   4.745
  234    HZ3  LYS  30          3HZ       LYS  30   8.198  -2.050   3.212
  235    H    TYR  31           H        TYR  31   4.739   3.687   2.199
  236    HA   TYR  31           HA       TYR  31   4.186   5.318  -0.027
  237    HB2  TYR  31          2HB       TYR  31   5.449   5.796   2.203
  238    HB3  TYR  31          1HB       TYR  31   6.822   5.106   1.345
  239    HD1  TYR  31          1HD       TYR  31   4.487   7.919   1.474
  240    HD2  TYR  31          2HD       TYR  31   8.014   6.365  -0.324
  241    HE1  TYR  31          1HE       TYR  31   4.990  10.119   0.593
  242    HE2  TYR  31          2HE       TYR  31   8.534   8.579  -1.220
  243    HH   TYR  31           HH       TYR  31   6.992  11.375  -0.163
  244    H    TYR  32           H        TYR  32   4.915   5.162  -2.085
  245    HA   TYR  32           HA       TYR  32   6.319   2.815  -2.900
  246    HB2  TYR  32          2HB       TYR  32   4.526   3.706  -4.264
  247    HB3  TYR  32          1HB       TYR  32   5.345   5.250  -4.395
  248    HD1  TYR  32          1HD       TYR  32   6.894   5.637  -6.087
  249    HD2  TYR  32          2HD       TYR  32   5.502   1.712  -5.374
  250    HE1  TYR  32          1HE       TYR  32   7.926   4.913  -8.194
  251    HE2  TYR  32          2HE       TYR  32   6.523   0.946  -7.473
  252    HH   TYR  32           HH       TYR  32   8.741   2.881  -9.223
  253    H    LEU  33           H        LEU  33   8.375   2.647  -3.588
  254    HA   LEU  33           HA       LEU  33  10.252   4.595  -2.646
  255    HB2  LEU  33          2HB       LEU  33  10.611   2.178  -2.429
  256    HB3  LEU  33          1HB       LEU  33  10.618   2.022  -4.170
  257    HG   LEU  33           HG       LEU  33  12.669   3.449  -4.211
  258   HD11  LEU  33          1HD1      LEU  33  13.947   3.708  -2.160
  259   HD12  LEU  33          2HD1      LEU  33  12.627   2.993  -1.239
  260   HD13  LEU  33          3HD1      LEU  33  12.394   4.538  -2.051
  261   HD21  LEU  33          1HD2      LEU  33  14.154   1.630  -3.472
  262   HD22  LEU  33          2HD2      LEU  33  12.794   1.047  -4.431
  263   HD23  LEU  33          3HD2      LEU  33  12.779   0.863  -2.677
  264    HN1  NH2  34          1H        LEU  33   9.893   6.383  -3.959
  265    HN2  NH2  34          2H        LEU  33  10.362   6.449  -5.624
  Start of MODEL   17
    1    H1   ASP   1          1HT       ASP   1 -12.661   5.340  -3.340
    2    H2   ASP   1          2HT       ASP   1 -12.195   5.219  -4.935
    3    H3   ASP   1          3HT       ASP   1 -13.132   6.545  -4.446
    4    HA   ASP   1           HA       ASP   1 -10.795   7.105  -4.784
    5    HB2  ASP   1          2HB       ASP   1 -11.592   7.090  -1.852
    6    HB3  ASP   1          1HB       ASP   1 -10.293   8.053  -2.541
    7    H    CYS   2           H        CYS   2  -8.593   6.916  -3.692
    8    HA   CYS   2           HA       CYS   2  -7.984   4.117  -3.607
    9    HB2  CYS   2          2HB       CYS   2  -5.617   4.981  -3.424
   10    HB3  CYS   2          1HB       CYS   2  -6.482   5.424  -4.878
   11    H    LEU   3           H        LEU   3  -5.875   3.888  -1.990
   12    HA   LEU   3           HA       LEU   3  -7.038   4.050   0.688
   13    HB2  LEU   3          2HB       LEU   3  -5.124   2.132  -0.567
   14    HB3  LEU   3          1HB       LEU   3  -5.537   2.114   1.134
   15    HG   LEU   3           HG       LEU   3  -7.436   1.550  -1.157
   16   HD11  LEU   3          1HD1      LEU   3  -7.443  -0.723  -0.295
   17   HD12  LEU   3          2HD1      LEU   3  -6.286  -0.264   0.953
   18   HD13  LEU   3          3HD1      LEU   3  -5.808  -0.234  -0.745
   19   HD21  LEU   3          1HD2      LEU   3  -8.587   2.627   0.706
   20   HD22  LEU   3          2HD2      LEU   3  -7.884   1.461   1.825
   21   HD23  LEU   3          3HD2      LEU   3  -9.028   0.924   0.595
   22    H    GLY   4           H        GLY   4  -5.673   4.823   2.340
   23    HA2  GLY   4          2HA       GLY   4  -3.353   6.043   1.321
   24    HA3  GLY   4          1HA       GLY   4  -4.117   6.389   2.889
   25    H    TRP   5           H        TRP   5  -1.971   6.108   3.682
   26    HA   TRP   5           HA       TRP   5  -0.299   3.994   3.131
   27    HB2  TRP   5          2HB       TRP   5   0.384   6.214   4.129
   28    HB3  TRP   5          1HB       TRP   5  -0.172   5.581   5.671
   29    HD1  TRP   5           HD       TRP   5   1.140   2.734   5.658
   30    HE1  TRP   5          1HE       TRP   5   3.710   2.447   5.813
   31    HE3  TRP   5          3HE       TRP   5   2.561   7.345   4.016
   32    HZ2  TRP   5          2HZ       TRP   5   6.010   3.988   5.306
   33    HZ3  TRP   5          3HZ       TRP   5   4.957   7.862   3.883
   34    HH2  TRP   5           HH       TRP   5   6.642   6.216   4.514
   35    H    PHE   6           H        PHE   6  -1.954   4.434   6.076
   36    HA   PHE   6           HA       PHE   6  -1.234   1.684   6.784
   37    HB2  PHE   6          2HB       PHE   6  -2.433   3.918   8.368
   38    HB3  PHE   6          1HB       PHE   6  -2.135   2.308   9.064
   39    HD1  PHE   6          1HD       PHE   6   0.334   1.506   8.831
   40    HD2  PHE   6          2HD       PHE   6  -0.919   5.560   8.537
   41    HE1  PHE   6          1HE       PHE   6   2.595   2.245   9.390
   42    HE2  PHE   6          2HE       PHE   6   1.343   6.302   9.093
   43    HZ   PHE   6           HZ       PHE   6   3.101   4.638   9.524
   44    H    LYS   7           H        LYS   7  -3.277   2.246   4.799
   45    HA   LYS   7           HA       LYS   7  -5.521   0.901   6.098
   46    HB2  LYS   7          2HB       LYS   7  -5.268   1.883   3.276
   47    HB3  LYS   7          1HB       LYS   7  -6.676   1.157   3.974
   48    HG2  LYS   7          2HG       LYS   7  -5.536   3.791   4.905
   49    HG3  LYS   7          1HG       LYS   7  -6.911   3.614   3.815
   50    HD2  LYS   7          2HD       LYS   7  -8.100   2.343   5.589
   51    HD3  LYS   7          1HD       LYS   7  -6.741   2.642   6.673
   52    HE2  LYS   7          2HE       LYS   7  -8.472   4.758   5.391
   53    HE3  LYS   7          1HE       LYS   7  -8.592   4.211   7.060
   54    HZ1  LYS   7          1HZ       LYS   7  -6.307   5.018   7.407
   55    HZ2  LYS   7          2HZ       LYS   7  -7.336   6.251   6.944
   56    HZ3  LYS   7          3HZ       LYS   7  -6.268   5.605   5.829
   57    H    SER   8           H        SER   8  -6.089  -1.172   5.424
   58    HA   SER   8           HA       SER   8  -3.925  -2.736   4.591
   59    HB2  SER   8          2HB       SER   8  -6.786  -3.453   4.962
   60    HB3  SER   8          1HB       SER   8  -5.368  -4.474   5.072
   61    HG   SER   8           HG       SER   8  -4.888  -2.552   6.720
   62    H    CYS   9           H        CYS   9  -3.718  -3.667   2.723
   63    HA   CYS   9           HA       CYS   9  -5.660  -3.255   0.596
   64    HB2  CYS   9          2HB       CYS   9  -4.255  -1.414   0.406
   65    HB3  CYS   9          1HB       CYS   9  -2.806  -2.423   0.569
   66    H    ASP  10           H        ASP  10  -4.713  -4.375  -1.356
   67    HA   ASP  10           HA       ASP  10  -3.660  -6.986  -0.499
   68    HB2  ASP  10          2HB       ASP  10  -6.079  -7.148  -1.027
   69    HB3  ASP  10          1HB       ASP  10  -5.746  -6.510  -2.632
   70    HA   PRO  11           HA       PRO  11  -0.535  -5.686  -3.352
   71    HB2  PRO  11          2HB       PRO  11   0.489  -8.220  -3.727
   72    HB3  PRO  11          1HB       PRO  11   1.048  -7.073  -2.486
   73    HG2  PRO  11          2HG       PRO  11  -0.760  -9.438  -2.275
   74    HG3  PRO  11          1HG       PRO  11   0.303  -8.727  -1.054
   75    HD2  PRO  11          2HD       PRO  11  -2.365  -8.461  -1.020
   76    HD3  PRO  11          1HD       PRO  11  -1.267  -7.221  -0.378
   77    H    LYS  12           H        LYS  12  -2.733  -8.217  -4.086
   78    HA   LYS  12           HA       LYS  12  -1.950  -8.173  -6.900
   79    HB2  LYS  12          2HB       LYS  12  -3.843  -9.990  -5.414
   80    HB3  LYS  12          1HB       LYS  12  -3.455 -10.133  -7.125
   81    HG2  LYS  12          2HG       LYS  12  -1.113 -10.545  -6.578
   82    HG3  LYS  12          1HG       LYS  12  -1.472 -10.374  -4.864
   83    HD2  LYS  12          2HD       LYS  12  -2.671 -12.462  -6.675
   84    HD3  LYS  12          1HD       LYS  12  -1.276 -12.731  -5.632
   85    HE2  LYS  12          2HE       LYS  12  -2.665 -12.223  -3.670
   86    HE3  LYS  12          1HE       LYS  12  -4.053 -11.959  -4.724
   87    HZ1  LYS  12          1HZ       LYS  12  -3.952 -14.246  -5.414
   88    HZ2  LYS  12          2HZ       LYS  12  -4.019 -14.193  -3.733
   89    HZ3  LYS  12          3HZ       LYS  12  -2.564 -14.509  -4.505
   90    H    ASN  13           H        ASN  13  -4.018  -6.650  -4.865
   91    HA   ASN  13           HA       ASN  13  -5.753  -5.776  -7.076
   92    HB2  ASN  13          2HB       ASN  13  -6.826  -7.537  -5.499
   93    HB3  ASN  13          1HB       ASN  13  -6.803  -6.277  -4.284
   94   HD21  ASN  13          1HD2      ASN  13  -9.122  -7.561  -5.343
   95   HD22  ASN  13          2HD2      ASN  13 -10.107  -6.349  -6.071
   96    H    ASP  14           H        ASP  14  -3.573  -4.540  -6.365
   97    HA   ASP  14           HA       ASP  14  -3.494  -2.852  -4.151
   98    HB2  ASP  14          2HB       ASP  14  -1.577  -3.277  -5.634
   99    HB3  ASP  14          1HB       ASP  14  -2.336  -2.261  -6.863
  100    H    LYS  15           H        LYS  15  -4.388  -1.087  -3.613
  101    HA   LYS  15           HA       LYS  15  -6.046   0.417  -5.504
  102    HB2  LYS  15          2HB       LYS  15  -6.629  -0.456  -2.693
  103    HB3  LYS  15          1HB       LYS  15  -7.581   0.721  -3.580
  104    HG2  LYS  15          2HG       LYS  15  -8.117  -0.950  -5.245
  105    HG3  LYS  15          1HG       LYS  15  -7.095  -2.128  -4.426
  106    HD2  LYS  15          2HD       LYS  15  -8.602  -1.942  -2.456
  107    HD3  LYS  15          1HD       LYS  15  -9.649  -0.885  -3.412
  108    HE2  LYS  15          2HE       LYS  15  -8.902  -3.734  -4.072
  109    HE3  LYS  15          1HE       LYS  15 -10.464  -3.187  -3.476
  110    HZ1  LYS  15          1HZ       LYS  15 -10.772  -1.930  -5.521
  111    HZ2  LYS  15          2HZ       LYS  15 -10.428  -3.535  -5.902
  112    HZ3  LYS  15          3HZ       LYS  15  -9.241  -2.377  -6.062
  113    H    CYS  16           H        CYS  16  -3.318   0.828  -4.497
  114    HA   CYS  16           HA       CYS  16  -3.424   2.828  -2.490
  115    HB2  CYS  16          2HB       CYS  16  -1.305   1.660  -4.187
  116    HB3  CYS  16          1HB       CYS  16  -1.009   3.149  -3.288
  117    H    CYS  17           H        CYS  17  -2.851   5.014  -2.618
  118    HA   CYS  17           HA       CYS  17  -3.722   6.391  -4.857
  119    HB2  CYS  17          2HB       CYS  17  -2.199   7.212  -2.386
  120    HB3  CYS  17          1HB       CYS  17  -2.962   8.306  -3.524
  121    H    LYS  18           H        LYS  18  -2.135   8.223  -5.463
  122    HA   LYS  18           HA       LYS  18  -0.024   7.188  -7.020
  123    HB2  LYS  18          2HB       LYS  18  -1.337   9.248  -7.500
  124    HB3  LYS  18          1HB       LYS  18  -0.511  10.031  -6.161
  125    HG2  LYS  18          2HG       LYS  18   1.605   9.642  -7.251
  126    HG3  LYS  18          1HG       LYS  18   0.745   8.899  -8.609
  127    HD2  LYS  18          2HD       LYS  18  -0.426  10.984  -9.024
  128    HD3  LYS  18          1HD       LYS  18   0.402  11.741  -7.657
  129    HE2  LYS  18          2HE       LYS  18   2.566  11.318  -8.801
  130    HE3  LYS  18          1HE       LYS  18   1.674  10.698 -10.187
  131    HZ1  LYS  18          1HZ       LYS  18   0.661  12.877 -10.465
  132    HZ2  LYS  18          2HZ       LYS  18   2.347  12.995 -10.476
  133    HZ3  LYS  18          3HZ       LYS  18   1.484  13.448  -9.103
  134    H    ASN  19           H        ASN  19   2.027   6.875  -6.646
  135    HA   ASN  19           HA       ASN  19   4.075   6.861  -5.752
  136    HB2  ASN  19          2HB       ASN  19   2.971   9.188  -4.339
  137    HB3  ASN  19          1HB       ASN  19   4.432   8.475  -3.633
  138   HD21  ASN  19          1HD2      ASN  19   6.333   8.568  -4.817
  139   HD22  ASN  19          2HD2      ASN  19   6.547   9.602  -6.171
  140    H    TYR  20           H        TYR  20   1.612   5.482  -4.617
  141    HA   TYR  20           HA       TYR  20   3.037   4.313  -2.365
  142    HB2  TYR  20          2HB       TYR  20   0.100   4.852  -2.672
  143    HB3  TYR  20          1HB       TYR  20   0.762   3.761  -1.492
  144    HD1  TYR  20          1HD       TYR  20   0.662   7.345  -2.487
  145    HD2  TYR  20          2HD       TYR  20   1.587   4.547   0.582
  146    HE1  TYR  20          1HE       TYR  20   0.865   9.179  -0.890
  147    HE2  TYR  20          2HE       TYR  20   1.804   6.366   2.189
  148    HH   TYR  20           HH       TYR  20   0.758   9.558   1.475
  149    H    THR  21           H        THR  21   2.335   2.087  -2.012
  150    HA   THR  21           HA       THR  21   1.022   0.574  -4.058
  151    HB   THR  21           HB       THR  21   3.882  -0.014  -3.474
  152    HG1  THR  21          1HG       THR  21   2.887   1.832  -5.212
  153   HG21  THR  21          1HG2      THR  21   2.648  -1.921  -4.214
  154   HG22  THR  21          2HG2      THR  21   3.753  -1.459  -5.511
  155   HG23  THR  21          3HG2      THR  21   2.042  -1.048  -5.623
  156    H    CYS  22           H        CYS  22   0.282  -1.281  -2.971
  157    HA   CYS  22           HA       CYS  22   0.941  -1.174  -0.227
  158    HB2  CYS  22          2HB       CYS  22  -0.851  -2.816   0.059
  159    HB3  CYS  22          1HB       CYS  22  -1.358  -1.211  -0.474
  160    H    SER  23           H        SER  23   1.647  -2.566   1.065
  161    HA   SER  23           HA       SER  23   3.563  -4.410  -0.041
  162    HB2  SER  23          2HB       SER  23   4.227  -2.748   1.611
  163    HB3  SER  23          1HB       SER  23   2.969  -3.299   2.705
  164    HG   SER  23           HG       SER  23   5.084  -4.022   3.224
  165    H    ARG  24           H        ARG  24   3.558  -6.621   0.653
  166    HA   ARG  24           HA       ARG  24   0.985  -7.653   1.606
  167    HB2  ARG  24          2HB       ARG  24   2.457  -8.653  -0.325
  168    HB3  ARG  24          1HB       ARG  24   3.430  -9.292   0.990
  169    HG2  ARG  24          2HG       ARG  24   0.522  -9.977   0.394
  170    HG3  ARG  24          1HG       ARG  24   1.917 -11.020   0.163
  171    HD2  ARG  24          2HD       ARG  24   0.814 -10.013   2.787
  172    HD3  ARG  24          1HD       ARG  24   0.627 -11.642   2.144
  173    HE   ARG  24           HE       ARG  24   3.361 -11.014   2.327
  174   HH11  ARG  24          1HH1      ARG  24   0.618 -11.865   4.393
  175   HH12  ARG  24          2HH1      ARG  24   1.557 -12.328   5.718
  176   HH21  ARG  24          1HH2      ARG  24   4.674 -11.650   4.118
  177   HH22  ARG  24          2HH2      ARG  24   3.976 -12.211   5.543
  178    H    ARG  25           H        ARG  25   4.436  -7.495   2.300
  179    HA   ARG  25           HA       ARG  25   4.675  -8.885   4.647
  180    HB2  ARG  25          2HB       ARG  25   6.470  -7.817   3.238
  181    HB3  ARG  25          1HB       ARG  25   6.023  -6.288   3.936
  182    HG2  ARG  25          2HG       ARG  25   6.554  -8.271   5.968
  183    HG3  ARG  25          1HG       ARG  25   7.920  -8.002   4.880
  184    HD2  ARG  25          2HD       ARG  25   6.437  -5.784   6.310
  185    HD3  ARG  25          1HD       ARG  25   7.922  -6.519   6.919
  186    HE   ARG  25           HE       ARG  25   8.296  -5.679   4.267
  187   HH11  ARG  25          1HH1      ARG  25   7.924  -4.227   7.495
  188   HH12  ARG  25          2HH1      ARG  25   8.895  -2.886   7.166
  189   HH21  ARG  25          1HH2      ARG  25   9.624  -3.806   3.802
  190   HH22  ARG  25          2HH2      ARG  25   9.902  -2.637   4.998
  191    H    ASP  26           H        ASP  26   3.898  -5.509   4.139
  192    HA   ASP  26           HA       ASP  26   3.244  -5.125   6.933
  193    HB2  ASP  26          2HB       ASP  26   3.117  -3.178   4.640
  194    HB3  ASP  26          1HB       ASP  26   2.979  -2.834   6.340
  195    H    ARG  27           H        ARG  27   1.643  -5.774   3.886
  196    HA   ARG  27           HA       ARG  27  -0.266  -5.599   3.040
  197    HB2  ARG  27          2HB       ARG  27  -0.859  -6.532   5.758
  198    HB3  ARG  27          1HB       ARG  27  -2.176  -6.036   4.674
  199    HG2  ARG  27          2HG       ARG  27  -1.454  -7.642   3.043
  200    HG3  ARG  27          1HG       ARG  27  -0.075  -8.079   4.059
  201    HD2  ARG  27          2HD       ARG  27  -1.555  -8.836   5.786
  202    HD3  ARG  27          1HD       ARG  27  -2.961  -8.358   4.834
  203    HE   ARG  27           HE       ARG  27  -1.789 -10.031   3.169
  204   HH11  ARG  27          1HH1      ARG  27  -2.362 -10.320   6.645
  205   HH12  ARG  27          2HH1      ARG  27  -2.566 -12.006   6.623
  206   HH21  ARG  27          1HH2      ARG  27  -2.095 -12.373   3.138
  207   HH22  ARG  27          2HH2      ARG  27  -2.428 -13.191   4.596
  208    H    TRP  28           H        TRP  28   0.703  -3.053   4.379
  209    HA   TRP  28           HA       TRP  28  -1.822  -1.697   3.917
  210    HB2  TRP  28          2HB       TRP  28  -0.959   0.208   5.254
  211    HB3  TRP  28          1HB       TRP  28  -1.115  -1.270   6.143
  212    HD1  TRP  28           HD       TRP  28   1.977  -0.038   4.155
  213    HE1  TRP  28          1HE       TRP  28   3.932   0.083   5.882
  214    HE3  TRP  28          3HE       TRP  28  -0.614  -1.258   8.226
  215    HZ2  TRP  28          2HZ       TRP  28   4.248  -0.316   8.687
  216    HZ3  TRP  28          3HZ       TRP  28   0.471  -1.379  10.410
  217    HH2  TRP  28           HH       TRP  28   2.894  -0.909  10.648
  218    H    CYS  29           H        CYS  29  -1.343   0.593   3.162
  219    HA   CYS  29           HA       CYS  29  -0.091   0.286   0.575
  220    HB2  CYS  29          2HB       CYS  29  -2.318   1.350   0.990
  221    HB3  CYS  29          1HB       CYS  29  -1.479   2.634   1.846
  222    H    LYS  30           H        LYS  30   2.052   0.356   0.661
  223    HA   LYS  30           HA       LYS  30   3.376   1.955   2.655
  224    HB2  LYS  30          2HB       LYS  30   3.822  -0.506   1.959
  225    HB3  LYS  30          1HB       LYS  30   4.597   0.192   0.551
  226    HG2  LYS  30          2HG       LYS  30   6.127   1.401   2.029
  227    HG3  LYS  30          1HG       LYS  30   5.350   0.618   3.415
  228    HD2  LYS  30          2HD       LYS  30   5.917  -1.600   2.348
  229    HD3  LYS  30          1HD       LYS  30   6.905  -0.712   1.190
  230    HE2  LYS  30          2HE       LYS  30   8.328  -1.545   2.933
  231    HE3  LYS  30          1HE       LYS  30   8.203   0.204   3.116
  232    HZ1  LYS  30          1HZ       LYS  30   6.547  -0.144   4.856
  233    HZ2  LYS  30          2HZ       LYS  30   7.979  -0.904   5.250
  234    HZ3  LYS  30          3HZ       LYS  30   6.673  -1.818   4.678
  235    H    TYR  31           H        TYR  31   4.697   3.677   2.047
  236    HA   TYR  31           HA       TYR  31   4.114   4.991  -0.390
  237    HB2  TYR  31          2HB       TYR  31   4.889   6.086   1.775
  238    HB3  TYR  31          1HB       TYR  31   6.489   5.447   1.375
  239    HD1  TYR  31          1HD       TYR  31   3.805   7.587  -0.090
  240    HD2  TYR  31          2HD       TYR  31   7.964   6.766   0.195
  241    HE1  TYR  31          1HE       TYR  31   4.285   9.593  -1.419
  242    HE2  TYR  31          2HE       TYR  31   8.457   8.756  -1.134
  243    HH   TYR  31           HH       TYR  31   7.352  10.185  -2.761
  244    H    TYR  32           H        TYR  32   5.167   4.934  -2.285
  245    HA   TYR  32           HA       TYR  32   7.154   2.860  -2.590
  246    HB2  TYR  32          2HB       TYR  32   5.322   2.805  -4.159
  247    HB3  TYR  32          1HB       TYR  32   5.575   4.498  -4.556
  248    HD1  TYR  32          1HD       TYR  32   6.888   5.083  -6.333
  249    HD2  TYR  32          2HD       TYR  32   7.234   1.189  -4.726
  250    HE1  TYR  32          1HE       TYR  32   8.375   4.478  -8.198
  251    HE2  TYR  32          2HE       TYR  32   8.735   0.537  -6.586
  252    HH   TYR  32           HH       TYR  32  10.137   2.849  -8.615
  253    H    LEU  33           H        LEU  33   9.183   3.254  -2.770
  254    HA   LEU  33           HA       LEU  33  10.103   6.021  -3.057
  255    HB2  LEU  33          2HB       LEU  33  11.545   3.577  -2.014
  256    HB3  LEU  33          1HB       LEU  33  12.260   5.165  -2.169
  257    HG   LEU  33           HG       LEU  33   9.967   4.462  -0.328
  258   HD11  LEU  33          1HD1      LEU  33  12.074   3.445   0.358
  259   HD12  LEU  33          2HD1      LEU  33  11.603   4.742   1.457
  260   HD13  LEU  33          3HD1      LEU  33  12.871   5.016   0.262
  261   HD21  LEU  33          1HD2      LEU  33  10.361   6.689   0.621
  262   HD22  LEU  33          2HD2      LEU  33   9.880   6.788  -1.071
  263   HD23  LEU  33          3HD2      LEU  33  11.572   7.005  -0.621
  264    HN1  NH2  34          1H        LEU  33   9.931   6.111  -5.273
  265    HN2  NH2  34          2H        LEU  33  10.963   5.216  -6.332
  Start of MODEL   18
    1    H1   ASP   1          1HT       ASP   1 -11.821   6.680  -6.178
    2    H2   ASP   1          2HT       ASP   1 -11.343   5.069  -5.896
    3    H3   ASP   1          3HT       ASP   1 -10.246   6.163  -6.553
    4    HA   ASP   1           HA       ASP   1 -10.214   7.419  -4.557
    5    HB2  ASP   1          2HB       ASP   1 -11.321   6.614  -2.554
    6    HB3  ASP   1          1HB       ASP   1 -12.533   6.832  -3.806
    7    H    CYS   2           H        CYS   2  -8.948   6.633  -2.666
    8    HA   CYS   2           HA       CYS   2  -7.596   4.100  -3.233
    9    HB2  CYS   2          2HB       CYS   2  -5.432   5.211  -3.086
   10    HB3  CYS   2          1HB       CYS   2  -6.358   5.833  -4.427
   11    H    LEU   3           H        LEU   3  -5.568   4.448  -1.505
   12    HA   LEU   3           HA       LEU   3  -6.856   4.559   1.119
   13    HB2  LEU   3          2HB       LEU   3  -4.527   2.960   0.108
   14    HB3  LEU   3          1HB       LEU   3  -5.140   2.909   1.755
   15    HG   LEU   3           HG       LEU   3  -6.559   1.932  -0.731
   16   HD11  LEU   3          1HD1      LEU   3  -4.752   0.485  -0.042
   17   HD12  LEU   3          2HD1      LEU   3  -6.312  -0.273   0.275
   18   HD13  LEU   3          3HD1      LEU   3  -5.390   0.434   1.600
   19   HD21  LEU   3          1HD2      LEU   3  -8.161   2.846   0.871
   20   HD22  LEU   3          2HD2      LEU   3  -7.462   1.856   2.152
   21   HD23  LEU   3          3HD2      LEU   3  -8.284   1.090   0.792
   22    H    GLY   4           H        GLY   4  -5.290   5.263   2.787
   23    HA2  GLY   4          2HA       GLY   4  -3.610   7.280   1.635
   24    HA3  GLY   4          1HA       GLY   4  -4.072   7.211   3.343
   25    H    TRP   5           H        TRP   5  -3.005   5.337   4.621
   26    HA   TRP   5           HA       TRP   5  -0.665   4.298   3.412
   27    HB2  TRP   5          2HB       TRP   5  -0.382   6.494   4.635
   28    HB3  TRP   5          1HB       TRP   5  -0.670   5.555   6.073
   29    HD1  TRP   5           HD       TRP   5   0.947   3.122   5.950
   30    HE1  TRP   5          1HE       TRP   5   3.545   3.056   5.769
   31    HE3  TRP   5          3HE       TRP   5   1.684   7.687   3.905
   32    HZ2  TRP   5          2HZ       TRP   5   5.596   4.755   4.845
   33    HZ3  TRP   5          3HZ       TRP   5   3.978   8.412   3.387
   34    HH2  TRP   5           HH       TRP   5   5.882   6.973   3.848
   35    H    PHE   6           H        PHE   6  -1.868   4.340   6.611
   36    HA   PHE   6           HA       PHE   6  -1.138   1.549   6.840
   37    HB2  PHE   6          2HB       PHE   6  -2.390   3.388   8.901
   38    HB3  PHE   6          1HB       PHE   6  -1.698   1.797   9.213
   39    HD1  PHE   6          1HD       PHE   6   0.738   1.462   8.922
   40    HD2  PHE   6          2HD       PHE   6  -1.091   5.294   8.777
   41    HE1  PHE   6          1HE       PHE   6   2.912   2.513   9.333
   42    HE2  PHE   6          2HE       PHE   6   1.085   6.352   9.183
   43    HZ   PHE   6           HZ       PHE   6   3.083   4.956   9.464
   44    H    LYS   7           H        LYS   7  -3.263   1.967   5.053
   45    HA   LYS   7           HA       LYS   7  -5.468   0.577   6.405
   46    HB2  LYS   7          2HB       LYS   7  -5.325   1.435   3.541
   47    HB3  LYS   7          1HB       LYS   7  -6.727   0.905   4.412
   48    HG2  LYS   7          2HG       LYS   7  -5.276   3.507   4.858
   49    HG3  LYS   7          1HG       LYS   7  -6.850   3.313   4.094
   50    HD2  LYS   7          2HD       LYS   7  -6.184   2.661   6.974
   51    HD3  LYS   7          1HD       LYS   7  -7.053   4.088   6.421
   52    HE2  LYS   7          2HE       LYS   7  -8.859   2.676   5.587
   53    HE3  LYS   7          1HE       LYS   7  -7.968   1.234   6.073
   54    HZ1  LYS   7          1HZ       LYS   7  -9.615   1.788   7.722
   55    HZ2  LYS   7          2HZ       LYS   7  -8.973   3.339   7.907
   56    HZ3  LYS   7          3HZ       LYS   7  -8.074   2.006   8.356
   57    H    SER   8           H        SER   8  -5.915  -1.556   5.810
   58    HA   SER   8           HA       SER   8  -3.744  -3.036   4.904
   59    HB2  SER   8          2HB       SER   8  -6.580  -3.865   5.303
   60    HB3  SER   8          1HB       SER   8  -5.115  -4.815   5.440
   61    HG   SER   8           HG       SER   8  -4.813  -4.178   7.400
   62    H    CYS   9           H        CYS   9  -3.564  -4.016   3.027
   63    HA   CYS   9           HA       CYS   9  -5.628  -3.900   0.992
   64    HB2  CYS   9          2HB       CYS   9  -4.616  -1.826   0.714
   65    HB3  CYS   9          1HB       CYS   9  -2.997  -2.545   0.792
   66    H    ASP  10           H        ASP  10  -4.692  -4.850  -0.986
   67    HA   ASP  10           HA       ASP  10  -2.940  -7.101  -0.312
   68    HB2  ASP  10          2HB       ASP  10  -5.265  -7.911  -0.548
   69    HB3  ASP  10          1HB       ASP  10  -5.338  -7.221  -2.160
   70    HA   PRO  11           HA       PRO  11  -0.469  -4.945  -3.333
   71    HB2  PRO  11          2HB       PRO  11   1.005  -7.264  -3.909
   72    HB3  PRO  11          1HB       PRO  11   1.447  -5.977  -2.771
   73    HG2  PRO  11          2HG       PRO  11   0.124  -8.598  -2.281
   74    HG3  PRO  11          1HG       PRO  11   1.241  -7.701  -1.229
   75    HD2  PRO  11          2HD       PRO  11  -1.291  -7.877  -0.721
   76    HD3  PRO  11          1HD       PRO  11  -0.439  -6.338  -0.452
   77    H    LYS  12           H        LYS  12  -2.117  -7.918  -4.083
   78    HA   LYS  12           HA       LYS  12  -1.563  -7.677  -6.927
   79    HB2  LYS  12          2HB       LYS  12  -3.374  -9.572  -5.449
   80    HB3  LYS  12          1HB       LYS  12  -2.970  -9.678  -7.152
   81    HG2  LYS  12          2HG       LYS  12  -0.643 -10.118  -6.586
   82    HG3  LYS  12          1HG       LYS  12  -1.023  -9.956  -4.869
   83    HD2  LYS  12          2HD       LYS  12  -2.577 -11.832  -5.036
   84    HD3  LYS  12          1HD       LYS  12  -2.213 -11.972  -6.754
   85    HE2  LYS  12          2HE       LYS  12   0.090 -12.518  -6.247
   86    HE3  LYS  12          1HE       LYS  12  -0.219 -12.308  -4.524
   87    HZ1  LYS  12          1HZ       LYS  12  -0.259 -14.636  -5.212
   88    HZ2  LYS  12          2HZ       LYS  12  -1.565 -14.340  -6.231
   89    HZ3  LYS  12          3HZ       LYS  12  -1.733 -14.162  -4.576
   90    H    ASN  13           H        ASN  13  -3.725  -6.539  -4.702
   91    HA   ASN  13           HA       ASN  13  -5.722  -5.751  -6.717
   92    HB2  ASN  13          2HB       ASN  13  -6.489  -7.622  -5.198
   93    HB3  ASN  13          1HB       ASN  13  -6.198  -6.567  -3.836
   94   HD21  ASN  13          1HD2      ASN  13  -7.678  -5.654  -6.906
   95   HD22  ASN  13          2HD2      ASN  13  -9.189  -5.186  -6.243
   96    H    ASP  14           H        ASP  14  -3.578  -4.321  -6.184
   97    HA   ASP  14           HA       ASP  14  -3.501  -2.669  -3.927
   98    HB2  ASP  14          2HB       ASP  14  -1.624  -2.883  -5.435
   99    HB3  ASP  14          1HB       ASP  14  -2.526  -2.018  -6.693
  100    H    LYS  15           H        LYS  15  -4.589  -1.090  -3.296
  101    HA   LYS  15           HA       LYS  15  -6.413   0.348  -5.111
  102    HB2  LYS  15          2HB       LYS  15  -6.689  -0.291  -2.191
  103    HB3  LYS  15          1HB       LYS  15  -7.793   0.699  -3.129
  104    HG2  LYS  15          2HG       LYS  15  -8.246  -1.288  -4.574
  105    HG3  LYS  15          1HG       LYS  15  -7.224  -2.244  -3.507
  106    HD2  LYS  15          2HD       LYS  15  -9.793  -0.841  -2.766
  107    HD3  LYS  15          1HD       LYS  15  -9.580  -2.575  -2.975
  108    HE2  LYS  15          2HE       LYS  15  -7.967  -2.555  -1.072
  109    HE3  LYS  15          1HE       LYS  15  -8.308  -0.843  -0.855
  110    HZ1  LYS  15          1HZ       LYS  15 -10.634  -1.402  -0.398
  111    HZ2  LYS  15          2HZ       LYS  15  -9.605  -2.164   0.666
  112    HZ3  LYS  15          3HZ       LYS  15 -10.293  -3.043  -0.585
  113    H    CYS  16           H        CYS  16  -3.635   0.988  -4.463
  114    HA   CYS  16           HA       CYS  16  -3.789   3.150  -2.562
  115    HB2  CYS  16          2HB       CYS  16  -1.544   1.804  -3.990
  116    HB3  CYS  16          1HB       CYS  16  -1.315   3.302  -3.090
  117    H    CYS  17           H        CYS  17  -2.959   5.252  -2.986
  118    HA   CYS  17           HA       CYS  17  -3.732   6.243  -5.538
  119    HB2  CYS  17          2HB       CYS  17  -3.126   7.374  -2.901
  120    HB3  CYS  17          1HB       CYS  17  -2.533   8.335  -4.237
  121    H    LYS  18           H        LYS  18  -2.054   8.161  -6.000
  122    HA   LYS  18           HA       LYS  18  -0.086   6.893  -7.542
  123    HB2  LYS  18          2HB       LYS  18  -1.184   9.029  -8.032
  124    HB3  LYS  18          1HB       LYS  18  -0.196   9.763  -6.771
  125    HG2  LYS  18          2HG       LYS  18   1.797   8.929  -7.896
  126    HG3  LYS  18          1HG       LYS  18   0.761   8.358  -9.210
  127    HD2  LYS  18          2HD       LYS  18   0.995  11.165  -8.249
  128    HD3  LYS  18          1HD       LYS  18   1.807  10.501  -9.681
  129    HE2  LYS  18          2HE       LYS  18  -0.380  10.033 -10.686
  130    HE3  LYS  18          1HE       LYS  18  -1.177  10.687  -9.256
  131    HZ1  LYS  18          1HZ       LYS  18  -1.061  12.290 -11.058
  132    HZ2  LYS  18          2HZ       LYS  18   0.627  12.198 -11.033
  133    HZ3  LYS  18          3HZ       LYS  18  -0.205  12.811  -9.705
  134    H    ASN  19           H        ASN  19   1.759   6.148  -7.045
  135    HA   ASN  19           HA       ASN  19   3.862   5.968  -6.388
  136    HB2  ASN  19          2HB       ASN  19   3.722   8.557  -6.461
  137    HB3  ASN  19          1HB       ASN  19   3.731   8.456  -4.707
  138   HD21  ASN  19          1HD2      ASN  19   5.568   7.703  -3.690
  139   HD22  ASN  19          2HD2      ASN  19   7.105   7.582  -4.445
  140    H    TYR  20           H        TYR  20   1.413   5.347  -4.799
  141    HA   TYR  20           HA       TYR  20   2.859   4.330  -2.477
  142    HB2  TYR  20          2HB       TYR  20  -0.084   4.928  -2.783
  143    HB3  TYR  20          1HB       TYR  20   0.616   4.075  -1.437
  144    HD1  TYR  20          1HD       TYR  20   1.699   5.237   0.363
  145    HD2  TYR  20          2HD       TYR  20   0.401   7.389  -3.067
  146    HE1  TYR  20          1HE       TYR  20   2.082   7.338   1.545
  147    HE2  TYR  20          2HE       TYR  20   0.779   9.499  -1.899
  148    HH   TYR  20           HH       TYR  20   2.567   9.742   0.912
  149    H    THR  21           H        THR  21   2.131   2.177  -1.917
  150    HA   THR  21           HA       THR  21   0.693   0.597  -3.838
  151    HB   THR  21           HB       THR  21   3.534  -0.077  -3.294
  152    HG1  THR  21          1HG       THR  21   2.555   1.735  -5.052
  153   HG21  THR  21          1HG2      THR  21   1.598  -1.105  -5.361
  154   HG22  THR  21          2HG2      THR  21   2.133  -1.944  -3.905
  155   HG23  THR  21          3HG2      THR  21   3.275  -1.632  -5.213
  156    H    CYS  22           H        CYS  22  -0.112  -1.102  -2.708
  157    HA   CYS  22           HA       CYS  22   0.616  -1.122  -0.002
  158    HB2  CYS  22          2HB       CYS  22  -1.109  -2.876   0.209
  159    HB3  CYS  22          1HB       CYS  22  -1.691  -1.270  -0.241
  160    H    SER  23           H        SER  23   1.640  -2.377   1.105
  161    HA   SER  23           HA       SER  23   3.611  -4.024  -0.164
  162    HB2  SER  23          2HB       SER  23   4.267  -2.410   1.543
  163    HB3  SER  23          1HB       SER  23   3.095  -3.064   2.650
  164    HG   SER  23           HG       SER  23   5.323  -3.712   2.975
  165    H    ARG  24           H        ARG  24   4.134  -6.184   0.799
  166    HA   ARG  24           HA       ARG  24   1.694  -7.599   1.617
  167    HB2  ARG  24          2HB       ARG  24   2.867  -8.368  -0.443
  168    HB3  ARG  24          1HB       ARG  24   4.233  -8.778   0.592
  169    HG2  ARG  24          2HG       ARG  24   2.905 -10.797   0.065
  170    HG3  ARG  24          1HG       ARG  24   2.862 -10.431   1.792
  171    HD2  ARG  24          2HD       ARG  24   0.678  -9.375   1.529
  172    HD3  ARG  24          1HD       ARG  24   0.725  -9.667  -0.202
  173    HE   ARG  24           HE       ARG  24   0.911 -12.020   1.476
  174   HH11  ARG  24          1HH1      ARG  24  -1.135  -9.954  -0.494
  175   HH12  ARG  24          2HH1      ARG  24  -2.509 -10.920  -0.495
  176   HH21  ARG  24          1HH2      ARG  24  -0.922 -13.480   1.500
  177   HH22  ARG  24          2HH2      ARG  24  -2.352 -13.090   0.652
  178    H    ARG  25           H        ARG  25   4.970  -6.798   2.466
  179    HA   ARG  25           HA       ARG  25   5.225  -8.556   4.685
  180    HB2  ARG  25          2HB       ARG  25   6.982  -7.143   3.295
  181    HB3  ARG  25          1HB       ARG  25   6.564  -5.873   4.422
  182    HG2  ARG  25          2HG       ARG  25   7.806  -8.538   5.066
  183    HG3  ARG  25          1HG       ARG  25   8.600  -6.971   5.068
  184    HD2  ARG  25          2HD       ARG  25   6.430  -7.914   6.957
  185    HD3  ARG  25          1HD       ARG  25   8.132  -7.695   7.352
  186    HE   ARG  25           HE       ARG  25   7.275  -5.260   6.456
  187   HH11  ARG  25          1HH1      ARG  25   6.404  -7.434   9.111
  188   HH12  ARG  25          2HH1      ARG  25   5.742  -6.192  10.084
  189   HH21  ARG  25          1HH2      ARG  25   6.294  -3.559   7.819
  190   HH22  ARG  25          2HH2      ARG  25   5.686  -4.013   9.356
  191    H    ASP  26           H        ASP  26   4.381  -5.141   4.182
  192    HA   ASP  26           HA       ASP  26   3.672  -4.740   6.948
  193    HB2  ASP  26          2HB       ASP  26   3.376  -2.855   4.612
  194    HB3  ASP  26          1HB       ASP  26   3.389  -2.476   6.317
  195    H    ARG  27           H        ARG  27   2.201  -5.517   3.865
  196    HA   ARG  27           HA       ARG  27   0.286  -5.472   2.987
  197    HB2  ARG  27          2HB       ARG  27  -0.612  -6.300   5.720
  198    HB3  ARG  27          1HB       ARG  27  -1.555  -6.328   4.223
  199    HG2  ARG  27          2HG       ARG  27   0.523  -7.654   3.339
  200    HG3  ARG  27          1HG       ARG  27   0.686  -8.066   5.044
  201    HD2  ARG  27          2HD       ARG  27  -0.646  -9.710   3.856
  202    HD3  ARG  27          1HD       ARG  27  -1.629  -8.860   5.058
  203    HE   ARG  27           HE       ARG  27  -1.845  -7.474   2.663
  204   HH11  ARG  27          1HH1      ARG  27  -2.691 -10.747   3.725
  205   HH12  ARG  27          2HH1      ARG  27  -4.150 -10.787   2.851
  206   HH21  ARG  27          1HH2      ARG  27  -3.883  -7.520   1.545
  207   HH22  ARG  27          2HH2      ARG  27  -4.831  -8.931   1.588
  208    H    TRP  28           H        TRP  28   0.953  -2.858   4.467
  209    HA   TRP  28           HA       TRP  28  -1.722  -1.825   4.033
  210    HB2  TRP  28          2HB       TRP  28  -1.040   0.189   5.381
  211    HB3  TRP  28          1HB       TRP  28  -0.988  -1.315   6.233
  212    HD1  TRP  28           HD       TRP  28   1.813   0.390   4.169
  213    HE1  TRP  28          1HE       TRP  28   3.863   0.590   5.784
  214    HE3  TRP  28          3HE       TRP  28  -0.342  -1.468   8.267
  215    HZ2  TRP  28          2HZ       TRP  28   4.407  -0.002   8.503
  216    HZ3  TRP  28          3HZ       TRP  28   0.885  -1.637  10.336
  217    HH2  TRP  28           HH       TRP  28   3.257  -0.915  10.483
  218    H    CYS  29           H        CYS  29  -1.551   0.555   3.304
  219    HA   CYS  29           HA       CYS  29  -0.373   0.485   0.661
  220    HB2  CYS  29          2HB       CYS  29  -2.660   1.423   1.248
  221    HB3  CYS  29          1HB       CYS  29  -1.827   2.724   2.085
  222    H    LYS  30           H        LYS  30   1.811   0.625   0.802
  223    HA   LYS  30           HA       LYS  30   2.874   2.585   2.631
  224    HB2  LYS  30          2HB       LYS  30   3.559   0.206   2.869
  225    HB3  LYS  30          1HB       LYS  30   4.203   0.261   1.235
  226    HG2  LYS  30          2HG       LYS  30   5.821   1.776   1.810
  227    HG3  LYS  30          1HG       LYS  30   5.111   2.076   3.421
  228    HD2  LYS  30          2HD       LYS  30   7.072   0.677   3.670
  229    HD3  LYS  30          1HD       LYS  30   5.643  -0.321   3.948
  230    HE2  LYS  30          2HE       LYS  30   5.794  -1.151   1.655
  231    HE3  LYS  30          1HE       LYS  30   7.198  -0.120   1.398
  232    HZ1  LYS  30          1HZ       LYS  30   7.041  -2.321   3.373
  233    HZ2  LYS  30          2HZ       LYS  30   8.402  -1.351   3.049
  234    HZ3  LYS  30          3HZ       LYS  30   7.808  -2.392   1.867
  235    H    TYR  31           H        TYR  31   4.401   4.050   1.889
  236    HA   TYR  31           HA       TYR  31   3.974   5.128  -0.683
  237    HB2  TYR  31          2HB       TYR  31   4.691   6.373   1.382
  238    HB3  TYR  31          1HB       TYR  31   6.269   5.614   1.192
  239    HD1  TYR  31          1HD       TYR  31   7.916   6.690  -0.064
  240    HD2  TYR  31          2HD       TYR  31   3.846   7.776  -0.605
  241    HE1  TYR  31          1HE       TYR  31   8.606   8.543  -1.510
  242    HE2  TYR  31          2HE       TYR  31   4.510   9.627  -2.040
  243    HH   TYR  31           HH       TYR  31   6.468  11.015  -2.419
  244    H    TYR  32           H        TYR  32   5.061   4.769  -2.565
  245    HA   TYR  32           HA       TYR  32   7.066   2.682  -2.480
  246    HB2  TYR  32          2HB       TYR  32   5.186   2.569  -4.046
  247    HB3  TYR  32          1HB       TYR  32   5.794   4.018  -4.867
  248    HD1  TYR  32          1HD       TYR  32   7.301   3.740  -6.631
  249    HD2  TYR  32          2HD       TYR  32   6.745   0.592  -3.863
  250    HE1  TYR  32          1HE       TYR  32   8.710   2.302  -8.017
  251    HE2  TYR  32          2HE       TYR  32   8.155  -0.880  -5.234
  252    HH   TYR  32           HH       TYR  32  10.111   0.242  -7.716
  253    H    LEU  33           H        LEU  33   8.964   3.256  -2.230
  254    HA   LEU  33           HA       LEU  33   9.802   6.006  -2.488
  255    HB2  LEU  33          2HB       LEU  33  10.447   4.622  -0.541
  256    HB3  LEU  33          1HB       LEU  33  11.396   3.600  -1.594
  257    HG   LEU  33           HG       LEU  33  12.824   5.583  -2.126
  258   HD11  LEU  33          1HD1      LEU  33  11.252   6.860   0.102
  259   HD12  LEU  33          2HD1      LEU  33  11.261   7.355  -1.591
  260   HD13  LEU  33          3HD1      LEU  33  12.721   7.510  -0.617
  261   HD21  LEU  33          1HD2      LEU  33  13.512   3.923  -0.478
  262   HD22  LEU  33          2HD2      LEU  33  12.641   4.798   0.781
  263   HD23  LEU  33          3HD2      LEU  33  14.039   5.537  -0.004
  264    HN1  NH2  34          1H        LEU  33  11.658   3.167  -3.413
  265    HN2  NH2  34          2H        LEU  33  12.146   3.755  -4.959
  Start of MODEL   19
    1    H1   ASP   1          1HT       ASP   1 -11.790   7.730  -6.024
    2    H2   ASP   1          2HT       ASP   1 -11.183   6.172  -6.348
    3    H3   ASP   1          3HT       ASP   1 -10.149   7.444  -6.211
    4    HA   ASP   1           HA       ASP   1 -10.517   7.717  -3.917
    5    HB2  ASP   1          2HB       ASP   1 -12.376   5.338  -4.216
    6    HB3  ASP   1          1HB       ASP   1 -11.801   5.971  -2.685
    7    H    CYS   2           H        CYS   2  -9.292   6.424  -2.390
    8    HA   CYS   2           HA       CYS   2  -8.097   4.016  -3.435
    9    HB2  CYS   2          2HB       CYS   2  -5.850   4.909  -3.198
   10    HB3  CYS   2          1HB       CYS   2  -6.711   5.793  -4.431
   11    H    LEU   3           H        LEU   3  -6.033   3.952  -1.726
   12    HA   LEU   3           HA       LEU   3  -7.294   3.890   0.913
   13    HB2  LEU   3          2HB       LEU   3  -5.204   2.198  -0.355
   14    HB3  LEU   3          1HB       LEU   3  -5.675   2.045   1.332
   15    HG   LEU   3           HG       LEU   3  -7.342   1.400  -1.109
   16   HD11  LEU   3          1HD1      LEU   3  -6.321  -0.320   1.131
   17   HD12  LEU   3          2HD1      LEU   3  -5.718  -0.292  -0.526
   18   HD13  LEU   3          3HD1      LEU   3  -7.355  -0.856  -0.190
   19   HD21  LEU   3          1HD2      LEU   3  -8.152   1.359   1.794
   20   HD22  LEU   3          2HD2      LEU   3  -9.094   0.682   0.468
   21   HD23  LEU   3          3HD2      LEU   3  -8.802   2.418   0.541
   22    H    GLY   4           H        GLY   4  -5.825   4.405   2.670
   23    HA2  GLY   4          2HA       GLY   4  -3.709   6.044   1.733
   24    HA3  GLY   4          1HA       GLY   4  -4.459   6.127   3.342
   25    H    TRP   5           H        TRP   5  -2.232   5.997   3.959
   26    HA   TRP   5           HA       TRP   5  -0.450   4.058   3.166
   27    HB2  TRP   5          2HB       TRP   5   0.133   6.243   4.299
   28    HB3  TRP   5          1HB       TRP   5  -0.259   5.441   5.813
   29    HD1  TRP   5           HD       TRP   5   1.267   2.671   5.394
   30    HE1  TRP   5          1HE       TRP   5   3.838   2.598   5.331
   31    HE3  TRP   5          3HE       TRP   5   2.153   7.539   4.267
   32    HZ2  TRP   5          2HZ       TRP   5   5.957   4.393   4.865
   33    HZ3  TRP   5          3HZ       TRP   5   4.497   8.296   4.034
   34    HH2  TRP   5           HH       TRP   5   6.341   6.737   4.331
   35    H    PHE   6           H        PHE   6  -1.936   4.247   6.236
   36    HA   PHE   6           HA       PHE   6  -0.987   1.540   6.841
   37    HB2  PHE   6          2HB       PHE   6  -2.445   3.550   8.537
   38    HB3  PHE   6          1HB       PHE   6  -1.733   2.041   9.147
   39    HD1  PHE   6          1HD       PHE   6   0.840   1.839   8.677
   40    HD2  PHE   6          2HD       PHE   6  -1.347   5.482   8.695
   41    HE1  PHE   6          1HE       PHE   6   2.909   3.075   9.109
   42    HE2  PHE   6          2HE       PHE   6   0.718   6.726   9.117
   43    HZ   PHE   6           HZ       PHE   6   2.846   5.526   9.327
   44    H    LYS   7           H        LYS   7  -3.263   2.208   4.979
   45    HA   LYS   7           HA       LYS   7  -5.359   0.776   6.369
   46    HB2  LYS   7          2HB       LYS   7  -5.366   1.766   3.548
   47    HB3  LYS   7          1HB       LYS   7  -6.719   1.132   4.437
   48    HG2  LYS   7          2HG       LYS   7  -5.298   3.722   5.013
   49    HG3  LYS   7          1HG       LYS   7  -6.914   3.528   4.340
   50    HD2  LYS   7          2HD       LYS   7  -6.035   2.685   7.111
   51    HD3  LYS   7          1HD       LYS   7  -6.966   4.127   6.737
   52    HE2  LYS   7          2HE       LYS   7  -7.845   1.261   6.335
   53    HE3  LYS   7          1HE       LYS   7  -8.408   2.357   7.592
   54    HZ1  LYS   7          1HZ       LYS   7  -8.898   2.546   4.676
   55    HZ2  LYS   7          2HZ       LYS   7  -9.227   3.806   5.698
   56    HZ3  LYS   7          3HZ       LYS   7 -10.040   2.341   5.879
   57    H    SER   8           H        SER   8  -5.999  -1.170   5.857
   58    HA   SER   8           HA       SER   8  -4.142  -3.015   5.038
   59    HB2  SER   8          2HB       SER   8  -7.058  -3.408   5.057
   60    HB3  SER   8          1HB       SER   8  -5.765  -4.443   5.659
   61    HG   SER   8           HG       SER   8  -5.718  -3.467   7.480
   62    H    CYS   9           H        CYS   9  -3.842  -3.828   3.114
   63    HA   CYS   9           HA       CYS   9  -5.835  -3.635   1.011
   64    HB2  CYS   9          2HB       CYS   9  -4.478  -1.683   0.761
   65    HB3  CYS   9          1HB       CYS   9  -3.017  -2.685   0.755
   66    H    ASP  10           H        ASP  10  -4.768  -4.758  -0.882
   67    HA   ASP  10           HA       ASP  10  -3.220  -7.071   0.009
   68    HB2  ASP  10          2HB       ASP  10  -5.585  -7.750  -0.226
   69    HB3  ASP  10          1HB       ASP  10  -5.568  -7.187  -1.885
   70    HA   PRO  11           HA       PRO  11  -0.574  -5.388  -3.093
   71    HB2  PRO  11          2HB       PRO  11   0.693  -7.800  -3.646
   72    HB3  PRO  11          1HB       PRO  11   1.206  -6.661  -2.374
   73    HG2  PRO  11          2HG       PRO  11  -0.452  -9.137  -2.218
   74    HG3  PRO  11          1HG       PRO  11   0.760  -8.521  -1.081
   75    HD2  PRO  11          2HD       PRO  11  -1.804  -8.304  -0.552
   76    HD3  PRO  11          1HD       PRO  11  -0.708  -6.950  -0.184
   77    H    LYS  12           H        LYS  12  -2.533  -8.131  -3.674
   78    HA   LYS  12           HA       LYS  12  -1.986  -8.141  -6.538
   79    HB2  LYS  12          2HB       LYS  12  -3.880  -9.926  -5.038
   80    HB3  LYS  12          1HB       LYS  12  -3.132 -10.228  -6.602
   81    HG2  LYS  12          2HG       LYS  12  -0.943 -10.429  -5.483
   82    HG3  LYS  12          1HG       LYS  12  -1.733 -10.159  -3.933
   83    HD2  LYS  12          2HD       LYS  12  -2.207 -12.476  -5.813
   84    HD3  LYS  12          1HD       LYS  12  -1.336 -12.533  -4.286
   85    HE2  LYS  12          2HE       LYS  12  -4.293 -11.995  -4.672
   86    HE3  LYS  12          1HE       LYS  12  -3.562 -13.452  -4.032
   87    HZ1  LYS  12          1HZ       LYS  12  -3.650 -10.770  -2.719
   88    HZ2  LYS  12          2HZ       LYS  12  -2.706 -12.049  -2.160
   89    HZ3  LYS  12          3HZ       LYS  12  -4.363 -12.198  -2.197
   90    H    ASN  13           H        ASN  13  -4.033  -6.675  -4.389
   91    HA   ASN  13           HA       ASN  13  -6.130  -6.154  -6.418
   92    HB2  ASN  13          2HB       ASN  13  -6.801  -7.820  -4.588
   93    HB3  ASN  13          1HB       ASN  13  -6.596  -6.507  -3.448
   94   HD21  ASN  13          1HD2      ASN  13  -8.067  -6.329  -6.693
   95   HD22  ASN  13          2HD2      ASN  13  -9.609  -5.841  -6.128
   96    H    ASP  14           H        ASP  14  -3.966  -4.708  -6.059
   97    HA   ASP  14           HA       ASP  14  -3.748  -2.859  -3.981
   98    HB2  ASP  14          2HB       ASP  14  -2.029  -3.397  -5.657
   99    HB3  ASP  14          1HB       ASP  14  -2.922  -2.389  -6.808
  100    H    LYS  15           H        LYS  15  -4.780  -1.216  -3.452
  101    HA   LYS  15           HA       LYS  15  -6.503   0.260  -5.328
  102    HB2  LYS  15          2HB       LYS  15  -6.944  -0.552  -2.483
  103    HB3  LYS  15          1HB       LYS  15  -7.868   0.724  -3.240
  104    HG2  LYS  15          2HG       LYS  15  -7.740  -2.147  -4.174
  105    HG3  LYS  15          1HG       LYS  15  -9.040  -1.459  -3.201
  106    HD2  LYS  15          2HD       LYS  15  -8.272  -0.556  -5.992
  107    HD3  LYS  15          1HD       LYS  15  -9.625  -1.603  -5.583
  108    HE2  LYS  15          2HE       LYS  15 -10.603   0.185  -4.233
  109    HE3  LYS  15          1HE       LYS  15  -9.265   1.246  -4.663
  110    HZ1  LYS  15          1HZ       LYS  15  -9.932   1.132  -6.958
  111    HZ2  LYS  15          2HZ       LYS  15 -11.221   1.658  -6.034
  112    HZ3  LYS  15          3HZ       LYS  15 -11.187   0.071  -6.603
  113    H    CYS  16           H        CYS  16  -3.687   0.733  -4.431
  114    HA   CYS  16           HA       CYS  16  -3.811   2.885  -2.550
  115    HB2  CYS  16          2HB       CYS  16  -1.647   1.596  -4.127
  116    HB3  CYS  16          1HB       CYS  16  -1.372   3.086  -3.227
  117    H    CYS  17           H        CYS  17  -3.350   5.044  -2.869
  118    HA   CYS  17           HA       CYS  17  -3.903   6.137  -5.413
  119    HB2  CYS  17          2HB       CYS  17  -3.295   7.165  -2.708
  120    HB3  CYS  17          1HB       CYS  17  -2.758   8.171  -4.022
  121    H    LYS  18           H        LYS  18  -2.288   7.966  -5.854
  122    HA   LYS  18           HA       LYS  18  -0.163   6.892  -7.271
  123    HB2  LYS  18          2HB       LYS  18  -1.279   8.986  -7.800
  124    HB3  LYS  18          1HB       LYS  18  -0.595   9.721  -6.359
  125    HG2  LYS  18          2HG       LYS  18   1.600   9.478  -7.227
  126    HG3  LYS  18          1HG       LYS  18   0.966   8.619  -8.643
  127    HD2  LYS  18          2HD       LYS  18  -0.318  10.618  -9.272
  128    HD3  LYS  18          1HD       LYS  18   0.339  11.473  -7.877
  129    HE2  LYS  18          2HE       LYS  18   1.986  10.382 -10.165
  130    HE3  LYS  18          1HE       LYS  18   1.454  12.053 -10.012
  131    HZ1  LYS  18          1HZ       LYS  18   3.713  11.765  -9.269
  132    HZ2  LYS  18          2HZ       LYS  18   3.235  10.642  -8.100
  133    HZ3  LYS  18          3HZ       LYS  18   2.732  12.239  -7.987
  134    H    ASN  19           H        ASN  19   1.915   6.563  -6.882
  135    HA   ASN  19           HA       ASN  19   3.975   6.478  -5.981
  136    HB2  ASN  19          2HB       ASN  19   3.478   8.990  -5.672
  137    HB3  ASN  19          1HB       ASN  19   3.224   8.607  -3.981
  138   HD21  ASN  19          1HD2      ASN  19   4.978   8.018  -2.729
  139   HD22  ASN  19          2HD2      ASN  19   6.617   8.237  -3.211
  140    H    TYR  20           H        TYR  20   1.451   5.328  -4.744
  141    HA   TYR  20           HA       TYR  20   2.815   4.098  -2.481
  142    HB2  TYR  20          2HB       TYR  20  -0.064   4.888  -2.747
  143    HB3  TYR  20          1HB       TYR  20   0.464   3.660  -1.639
  144    HD1  TYR  20          1HD       TYR  20   1.038   4.219   0.518
  145    HD2  TYR  20          2HD       TYR  20   1.179   7.242  -2.461
  146    HE1  TYR  20          1HE       TYR  20   1.541   5.852   2.232
  147    HE2  TYR  20          2HE       TYR  20   1.686   8.914  -0.742
  148    HH   TYR  20           HH       TYR  20   2.527   7.991   2.458
  149    H    THR  21           H        THR  21   2.018   1.969  -2.075
  150    HA   THR  21           HA       THR  21   0.704   0.445  -4.183
  151    HB   THR  21           HB       THR  21   3.413  -0.416  -3.361
  152    HG1  THR  21          1HG       THR  21   2.768   1.680  -4.976
  153   HG21  THR  21          1HG2      THR  21   3.422  -1.503  -5.562
  154   HG22  THR  21          2HG2      THR  21   1.838  -0.803  -5.887
  155   HG23  THR  21          3HG2      THR  21   2.034  -1.976  -4.578
  156    H    CYS  22           H        CYS  22  -0.202  -1.401  -3.033
  157    HA   CYS  22           HA       CYS  22   0.600  -1.331  -0.328
  158    HB2  CYS  22          2HB       CYS  22  -1.193  -2.981   0.011
  159    HB3  CYS  22          1HB       CYS  22  -1.721  -1.345  -0.405
  160    H    SER  23           H        SER  23   1.546  -2.666   0.803
  161    HA   SER  23           HA       SER  23   3.301  -4.523  -0.537
  162    HB2  SER  23          2HB       SER  23   4.231  -2.931   1.040
  163    HB3  SER  23          1HB       SER  23   3.091  -3.428   2.280
  164    HG   SER  23           HG       SER  23   5.478  -4.567   1.493
  165    H    ARG  24           H        ARG  24   3.619  -6.682   0.400
  166    HA   ARG  24           HA       ARG  24   1.131  -7.877   1.377
  167    HB2  ARG  24          2HB       ARG  24   2.721  -8.817  -0.509
  168    HB3  ARG  24          1HB       ARG  24   3.693  -9.322   0.865
  169    HG2  ARG  24          2HG       ARG  24   0.848 -10.213   0.298
  170    HG3  ARG  24          1HG       ARG  24   2.293 -11.177   0.044
  171    HD2  ARG  24          2HD       ARG  24   1.261 -10.139   2.669
  172    HD3  ARG  24          1HD       ARG  24   1.119 -11.809   2.101
  173    HE   ARG  24           HE       ARG  24   3.794 -11.289   2.030
  174   HH11  ARG  24          1HH1      ARG  24   1.358 -11.174   4.607
  175   HH12  ARG  24          2HH1      ARG  24   2.481 -11.430   5.858
  176   HH21  ARG  24          1HH2      ARG  24   5.334 -11.596   3.809
  177   HH22  ARG  24          2HH2      ARG  24   4.742 -11.678   5.407
  178    H    ARG  25           H        ARG  25   4.581  -7.510   2.005
  179    HA   ARG  25           HA       ARG  25   5.069  -8.705   4.388
  180    HB2  ARG  25          2HB       ARG  25   6.749  -7.570   3.084
  181    HB3  ARG  25          1HB       ARG  25   5.945  -6.036   3.334
  182    HG2  ARG  25          2HG       ARG  25   6.387  -6.210   5.708
  183    HG3  ARG  25          1HG       ARG  25   7.317  -7.690   5.383
  184    HD2  ARG  25          2HD       ARG  25   8.902  -6.493   4.078
  185    HD3  ARG  25          1HD       ARG  25   7.907  -5.034   4.089
  186    HE   ARG  25           HE       ARG  25   8.361  -5.529   6.682
  187   HH11  ARG  25          1HH1      ARG  25  10.518  -5.088   3.895
  188   HH12  ARG  25          2HH1      ARG  25  11.773  -4.407   4.802
  189   HH21  ARG  25          1HH2      ARG  25  10.107  -4.588   7.913
  190   HH22  ARG  25          2HH2      ARG  25  11.551  -4.109   7.139
  191    H    ASP  26           H        ASP  26   4.051  -5.388   3.891
  192    HA   ASP  26           HA       ASP  26   3.386  -5.091   6.687
  193    HB2  ASP  26          2HB       ASP  26   3.343  -3.101   4.425
  194    HB3  ASP  26          1HB       ASP  26   2.953  -2.796   6.087
  195    H    ARG  27           H        ARG  27   1.761  -5.857   3.701
  196    HA   ARG  27           HA       ARG  27  -0.189  -5.611   2.888
  197    HB2  ARG  27          2HB       ARG  27  -0.566  -6.784   5.520
  198    HB3  ARG  27          1HB       ARG  27  -2.004  -6.134   4.709
  199    HG2  ARG  27          2HG       ARG  27  -1.424  -7.543   2.754
  200    HG3  ARG  27          1HG       ARG  27  -0.094  -8.218   3.706
  201    HD2  ARG  27          2HD       ARG  27  -1.527  -9.254   5.213
  202    HD3  ARG  27          1HD       ARG  27  -2.892  -8.233   4.776
  203    HE   ARG  27           HE       ARG  27  -1.934  -9.989   2.684
  204   HH11  ARG  27          1HH1      ARG  27  -4.197  -9.630   5.387
  205   HH12  ARG  27          2HH1      ARG  27  -5.302 -10.780   4.812
  206   HH21  ARG  27          1HH2      ARG  27  -3.450 -11.558   1.884
  207   HH22  ARG  27          2HH2      ARG  27  -4.870 -11.912   2.770
  208    H    TRP  28           H        TRP  28   0.794  -3.108   4.151
  209    HA   TRP  28           HA       TRP  28  -1.790  -1.802   4.002
  210    HB2  TRP  28          2HB       TRP  28  -0.860   0.081   5.248
  211    HB3  TRP  28          1HB       TRP  28  -0.767  -1.402   6.155
  212    HD1  TRP  28           HD       TRP  28   2.000  -0.314   3.679
  213    HE1  TRP  28          1HE       TRP  28   4.143   0.180   5.111
  214    HE3  TRP  28          3HE       TRP  28   0.011  -0.829   8.254
  215    HZ2  TRP  28          2HZ       TRP  28   4.816   0.372   7.836
  216    HZ3  TRP  28          3HZ       TRP  28   1.414  -0.463  10.257
  217    HH2  TRP  28           HH       TRP  28   3.781   0.126  10.036
  218    H    CYS  29           H        CYS  29  -1.346   0.549   3.219
  219    HA   CYS  29           HA       CYS  29  -0.339   0.208   0.542
  220    HB2  CYS  29          2HB       CYS  29  -2.511   1.303   1.100
  221    HB3  CYS  29          1HB       CYS  29  -1.606   2.583   1.893
  222    H    LYS  30           H        LYS  30   1.835   0.212   0.575
  223    HA   LYS  30           HA       LYS  30   3.274   1.808   2.470
  224    HB2  LYS  30          2HB       LYS  30   3.655  -0.647   1.894
  225    HB3  LYS  30          1HB       LYS  30   4.308  -0.078   0.372
  226    HG2  LYS  30          2HG       LYS  30   6.004   1.176   1.584
  227    HG3  LYS  30          1HG       LYS  30   5.346   0.554   3.108
  228    HD2  LYS  30          2HD       LYS  30   5.752  -1.760   2.270
  229    HD3  LYS  30          1HD       LYS  30   6.548  -1.071   0.860
  230    HE2  LYS  30          2HE       LYS  30   8.229  -1.745   2.436
  231    HE3  LYS  30          1HE       LYS  30   8.179   0.017   2.403
  232    HZ1  LYS  30          1HZ       LYS  30   6.826  -1.678   4.436
  233    HZ2  LYS  30          2HZ       LYS  30   6.952   0.015   4.464
  234    HZ3  LYS  30          3HZ       LYS  30   8.316  -0.935   4.656
  235    H    TYR  31           H        TYR  31   4.480   3.493   1.924
  236    HA   TYR  31           HA       TYR  31   4.063   5.012  -0.410
  237    HB2  TYR  31          2HB       TYR  31   4.794   5.798   1.873
  238    HB3  TYR  31          1HB       TYR  31   6.353   5.069   1.514
  239    HD1  TYR  31          1HD       TYR  31   8.028   6.314   0.418
  240    HD2  TYR  31          2HD       TYR  31   4.016   7.719   0.412
  241    HE1  TYR  31          1HE       TYR  31   8.788   8.470  -0.478
  242    HE2  TYR  31          2HE       TYR  31   4.757   9.862  -0.489
  243    HH   TYR  31           HH       TYR  31   6.802  11.195  -0.487
  244    H    TYR  32           H        TYR  32   5.021   4.742  -2.381
  245    HA   TYR  32           HA       TYR  32   7.208   2.875  -2.559
  246    HB2  TYR  32          2HB       TYR  32   5.457   2.672  -4.235
  247    HB3  TYR  32          1HB       TYR  32   5.699   4.352  -4.710
  248    HD1  TYR  32          1HD       TYR  32   7.593   1.181  -4.387
  249    HD2  TYR  32          2HD       TYR  32   7.071   4.800  -6.525
  250    HE1  TYR  32          1HE       TYR  32   9.280   0.440  -6.007
  251    HE2  TYR  32          2HE       TYR  32   8.761   4.098  -8.168
  252    HH   TYR  32           HH       TYR  32  10.686   2.553  -8.276
  253    H    LEU  33           H        LEU  33   9.114   3.484  -2.372
  254    HA   LEU  33           HA       LEU  33   9.867   6.235  -3.012
  255    HB2  LEU  33          2HB       LEU  33  10.184   5.519  -0.648
  256    HB3  LEU  33          1HB       LEU  33  11.249   4.247  -1.200
  257    HG   LEU  33           HG       LEU  33  12.825   5.957  -2.039
  258   HD11  LEU  33          1HD1      LEU  33  12.542   8.290  -1.359
  259   HD12  LEU  33          2HD1      LEU  33  10.941   7.913  -0.726
  260   HD13  LEU  33          3HD1      LEU  33  11.262   7.776  -2.455
  261   HD21  LEU  33          1HD2      LEU  33  13.115   4.997   0.178
  262   HD22  LEU  33          2HD2      LEU  33  12.063   6.234   0.864
  263   HD23  LEU  33          3HD2      LEU  33  13.613   6.688   0.153
  264    HN1  NH2  34          1H        LEU  33  10.079   5.738  -5.199
  265    HN2  NH2  34          2H        LEU  33  11.356   4.755  -5.823
  Start of MODEL   20
    1    H1   ASP   1          1HT       ASP   1 -10.824   5.596  -6.388
    2    H2   ASP   1          2HT       ASP   1 -12.352   5.810  -5.703
    3    H3   ASP   1          3HT       ASP   1 -11.555   4.306  -5.594
    4    HA   ASP   1           HA       ASP   1 -10.622   6.833  -4.414
    5    HB2  ASP   1          2HB       ASP   1 -11.868   4.403  -3.096
    6    HB3  ASP   1          1HB       ASP   1 -11.102   5.726  -2.229
    7    H    CYS   2           H        CYS   2  -8.912   6.343  -2.786
    8    HA   CYS   2           HA       CYS   2  -7.362   4.000  -3.499
    9    HB2  CYS   2          2HB       CYS   2  -5.306   5.392  -3.464
   10    HB3  CYS   2          1HB       CYS   2  -6.329   5.696  -4.840
   11    H    LEU   3           H        LEU   3  -5.252   4.392  -1.916
   12    HA   LEU   3           HA       LEU   3  -6.511   4.465   0.710
   13    HB2  LEU   3          2HB       LEU   3  -4.257   2.733  -0.254
   14    HB3  LEU   3          1HB       LEU   3  -4.861   2.791   1.386
   15    HG   LEU   3           HG       LEU   3  -6.352   1.809  -1.037
   16   HD11  LEU   3          1HD1      LEU   3  -5.213   0.382   1.349
   17   HD12  LEU   3          2HD1      LEU   3  -4.625   0.299  -0.313
   18   HD13  LEU   3          3HD1      LEU   3  -6.210  -0.359   0.100
   19   HD21  LEU   3          1HD2      LEU   3  -7.900   2.853   0.525
   20   HD22  LEU   3          2HD2      LEU   3  -7.217   1.920   1.854
   21   HD23  LEU   3          3HD2      LEU   3  -8.087   1.099   0.558
   22    H    GLY   4           H        GLY   4  -5.091   5.054   2.420
   23    HA2  GLY   4          2HA       GLY   4  -3.274   6.986   1.464
   24    HA3  GLY   4          1HA       GLY   4  -3.788   6.846   3.163
   25    H    TRP   5           H        TRP   5  -2.470   5.612   4.557
   26    HA   TRP   5           HA       TRP   5  -0.336   4.249   3.271
   27    HB2  TRP   5          2HB       TRP   5   0.223   6.387   4.521
   28    HB3  TRP   5          1HB       TRP   5  -0.223   5.512   5.971
   29    HD1  TRP   5           HD       TRP   5   1.228   2.793   5.607
   30    HE1  TRP   5          1HE       TRP   5   3.813   2.614   5.613
   31    HE3  TRP   5          3HE       TRP   5   2.355   7.602   4.391
   32    HZ2  TRP   5          2HZ       TRP   5   6.023   4.316   5.159
   33    HZ3  TRP   5          3HZ       TRP   5   4.726   8.260   4.198
   34    HH2  TRP   5           HH       TRP   5   6.513   6.646   4.577
   35    H    PHE   6           H        PHE   6  -1.918   4.406   6.295
   36    HA   PHE   6           HA       PHE   6  -1.211   1.611   6.810
   37    HB2  PHE   6          2HB       PHE   6  -2.714   3.528   8.603
   38    HB3  PHE   6          1HB       PHE   6  -1.930   2.018   9.073
   39    HD1  PHE   6          1HD       PHE   6  -1.592   5.531   8.585
   40    HD2  PHE   6          2HD       PHE   6   0.565   1.883   8.917
   41    HE1  PHE   6          1HE       PHE   6   0.448   6.782   9.101
   42    HE2  PHE   6          2HE       PHE   6   2.598   3.130   9.431
   43    HZ   PHE   6           HZ       PHE   6   2.534   5.589   9.524
   44    H    LYS   7           H        LYS   7  -3.291   2.345   4.822
   45    HA   LYS   7           HA       LYS   7  -5.576   1.011   6.035
   46    HB2  LYS   7          2HB       LYS   7  -5.235   1.998   3.229
   47    HB3  LYS   7          1HB       LYS   7  -6.687   1.320   3.902
   48    HG2  LYS   7          2HG       LYS   7  -5.414   3.914   4.760
   49    HG3  LYS   7          1HG       LYS   7  -6.883   3.739   3.803
   50    HD2  LYS   7          2HD       LYS   7  -6.507   2.834   6.672
   51    HD3  LYS   7          1HD       LYS   7  -7.394   4.253   6.147
   52    HE2  LYS   7          2HE       LYS   7  -8.107   1.376   5.551
   53    HE3  LYS   7          1HE       LYS   7  -8.911   2.431   6.700
   54    HZ1  LYS   7          1HZ       LYS   7  -9.533   3.884   4.805
   55    HZ2  LYS   7          2HZ       LYS   7 -10.202   2.371   4.743
   56    HZ3  LYS   7          3HZ       LYS   7  -8.919   2.727   3.734
   57    H    SER   8           H        SER   8  -6.337  -0.969   5.299
   58    HA   SER   8           HA       SER   8  -4.345  -2.830   4.793
   59    HB2  SER   8          2HB       SER   8  -7.251  -3.294   4.513
   60    HB3  SER   8          1HB       SER   8  -5.997  -4.276   5.260
   61    HG   SER   8           HG       SER   8  -6.824  -3.492   7.023
   62    H    CYS   9           H        CYS   9  -3.839  -3.719   2.940
   63    HA   CYS   9           HA       CYS   9  -5.565  -3.515   0.623
   64    HB2  CYS   9          2HB       CYS   9  -4.106  -1.613   0.550
   65    HB3  CYS   9          1HB       CYS   9  -2.706  -2.695   0.659
   66    H    ASP  10           H        ASP  10  -4.301  -4.680  -1.114
   67    HA   ASP  10           HA       ASP  10  -2.863  -7.003  -0.090
   68    HB2  ASP  10          2HB       ASP  10  -5.356  -7.526  -0.315
   69    HB3  ASP  10          1HB       ASP  10  -5.138  -7.316  -2.048
   70    HA   PRO  11           HA       PRO  11  -0.316  -5.701  -3.480
   71    HB2  PRO  11          2HB       PRO  11   0.736  -8.234  -3.979
   72    HB3  PRO  11          1HB       PRO  11   1.445  -7.017  -2.894
   73    HG2  PRO  11          2HG       PRO  11  -0.273  -9.380  -2.301
   74    HG3  PRO  11          1HG       PRO  11   1.045  -8.691  -1.339
   75    HD2  PRO  11          2HD       PRO  11  -1.492  -8.332  -0.657
   76    HD3  PRO  11          1HD       PRO  11  -0.314  -7.012  -0.469
   77    H    LYS  12           H        LYS  12  -2.453  -8.413  -3.741
   78    HA   LYS  12           HA       LYS  12  -2.202  -8.511  -6.640
   79    HB2  LYS  12          2HB       LYS  12  -3.793 -10.202  -4.722
   80    HB3  LYS  12          1HB       LYS  12  -3.680 -10.465  -6.458
   81    HG2  LYS  12          2HG       LYS  12  -1.342 -10.952  -6.290
   82    HG3  LYS  12          1HG       LYS  12  -1.328 -10.506  -4.583
   83    HD2  LYS  12          2HD       LYS  12  -1.353 -12.923  -4.841
   84    HD3  LYS  12          1HD       LYS  12  -2.842 -12.363  -4.092
   85    HE2  LYS  12          2HE       LYS  12  -4.001 -12.558  -6.242
   86    HE3  LYS  12          1HE       LYS  12  -2.499 -13.075  -7.001
   87    HZ1  LYS  12          1HZ       LYS  12  -4.021 -14.910  -6.405
   88    HZ2  LYS  12          2HZ       LYS  12  -3.785 -14.546  -4.767
   89    HZ3  LYS  12          3HZ       LYS  12  -2.487 -15.035  -5.724
   90    H    ASN  13           H        ASN  13  -3.917  -6.764  -4.440
   91    HA   ASN  13           HA       ASN  13  -5.982  -6.127  -6.399
   92    HB2  ASN  13          2HB       ASN  13  -6.757  -7.848  -4.667
   93    HB3  ASN  13          1HB       ASN  13  -6.613  -6.568  -3.485
   94   HD21  ASN  13          1HD2      ASN  13  -7.718  -6.062  -6.784
   95   HD22  ASN  13          2HD2      ASN  13  -9.326  -5.618  -6.388
   96    H    ASP  14           H        ASP  14  -3.773  -4.804  -5.946
   97    HA   ASP  14           HA       ASP  14  -3.508  -2.974  -3.886
   98    HB2  ASP  14          2HB       ASP  14  -1.821  -3.432  -5.604
   99    HB3  ASP  14          1HB       ASP  14  -2.786  -2.488  -6.749
  100    H    LYS  15           H        LYS  15  -4.437  -1.234  -3.307
  101    HA   LYS  15           HA       LYS  15  -6.390   0.139  -5.032
  102    HB2  LYS  15          2HB       LYS  15  -6.420  -0.334  -2.062
  103    HB3  LYS  15          1HB       LYS  15  -7.572   0.638  -2.952
  104    HG2  LYS  15          2HG       LYS  15  -7.140  -2.331  -3.272
  105    HG3  LYS  15          1HG       LYS  15  -8.452  -1.578  -2.365
  106    HD2  LYS  15          2HD       LYS  15  -9.269  -0.535  -4.421
  107    HD3  LYS  15          1HD       LYS  15  -7.955  -1.290  -5.329
  108    HE2  LYS  15          2HE       LYS  15 -10.026  -2.554  -5.574
  109    HE3  LYS  15          1HE       LYS  15  -8.802  -3.497  -4.728
  110    HZ1  LYS  15          1HZ       LYS  15 -10.978  -3.688  -3.667
  111    HZ2  LYS  15          2HZ       LYS  15 -11.044  -2.033  -3.453
  112    HZ3  LYS  15          3HZ       LYS  15  -9.891  -2.928  -2.626
  113    H    CYS  16           H        CYS  16  -3.451   0.582  -4.389
  114    HA   CYS  16           HA       CYS  16  -3.406   2.730  -2.552
  115    HB2  CYS  16          2HB       CYS  16  -1.351   1.330  -4.134
  116    HB3  CYS  16          1HB       CYS  16  -0.969   2.896  -3.406
  117    H    CYS  17           H        CYS  17  -2.145   4.704  -3.027
  118    HA   CYS  17           HA       CYS  17  -3.523   5.952  -5.273
  119    HB2  CYS  17          2HB       CYS  17  -3.690   6.546  -2.633
  120    HB3  CYS  17          1HB       CYS  17  -2.376   7.593  -3.128
  121    H    LYS  18           H        LYS  18  -2.123   8.268  -5.188
  122    HA   LYS  18           HA       LYS  18  -0.048   7.774  -6.975
  123    HB2  LYS  18          2HB       LYS  18  -1.421   9.738  -7.036
  124    HB3  LYS  18          1HB       LYS  18  -0.869  10.204  -5.435
  125    HG2  LYS  18          2HG       LYS  18   1.326  10.566  -6.250
  126    HG3  LYS  18          1HG       LYS  18   0.850  10.007  -7.865
  127    HD2  LYS  18          2HD       LYS  18  -0.752  11.823  -8.036
  128    HD3  LYS  18          1HD       LYS  18  -0.326  12.383  -6.420
  129    HE2  LYS  18          2HE       LYS  18   0.741  13.722  -8.199
  130    HE3  LYS  18          1HE       LYS  18   1.915  12.926  -7.157
  131    HZ1  LYS  18          1HZ       LYS  18   2.268  11.262  -8.829
  132    HZ2  LYS  18          2HZ       LYS  18   2.490  12.762  -9.508
  133    HZ3  LYS  18          3HZ       LYS  18   1.070  11.906  -9.827
  134    H    ASN  19           H        ASN  19   1.944   7.098  -6.543
  135    HA   ASN  19           HA       ASN  19   4.040   6.956  -5.750
  136    HB2  ASN  19          2HB       ASN  19   3.790   9.397  -5.496
  137    HB3  ASN  19          1HB       ASN  19   3.302   9.180  -3.833
  138   HD21  ASN  19          1HD2      ASN  19   5.944   7.353  -5.393
  139   HD22  ASN  19          2HD2      ASN  19   7.155   7.995  -4.373
  140    H    TYR  20           H        TYR  20   1.635   5.747  -4.555
  141    HA   TYR  20           HA       TYR  20   2.998   4.452  -2.299
  142    HB2  TYR  20          2HB       TYR  20   0.074   5.076  -2.603
  143    HB3  TYR  20          1HB       TYR  20   0.710   3.938  -1.454
  144    HD1  TYR  20          1HD       TYR  20   0.601   7.538  -2.321
  145    HD2  TYR  20          2HD       TYR  20   1.724   4.653   0.595
  146    HE1  TYR  20          1HE       TYR  20   0.935   9.321  -0.686
  147    HE2  TYR  20          2HE       TYR  20   2.066   6.420   2.229
  148    HH   TYR  20           HH       TYR  20   2.583   8.894   2.184
  149    H    THR  21           H        THR  21   2.234   2.235  -1.967
  150    HA   THR  21           HA       THR  21   0.853   0.763  -4.007
  151    HB   THR  21           HB       THR  21   3.724   0.039  -3.552
  152    HG1  THR  21          1HG       THR  21   2.675   1.946  -5.226
  153   HG21  THR  21          1HG2      THR  21   3.427  -1.321  -5.589
  154   HG22  THR  21          2HG2      THR  21   1.767  -0.730  -5.682
  155   HG23  THR  21          3HG2      THR  21   2.273  -1.721  -4.313
  156    H    CYS  22           H        CYS  22   0.244  -1.321  -2.990
  157    HA   CYS  22           HA       CYS  22   0.923  -1.127  -0.252
  158    HB2  CYS  22          2HB       CYS  22  -0.760  -2.878   0.064
  159    HB3  CYS  22          1HB       CYS  22  -1.366  -1.294  -0.432
  160    H    SER  23           H        SER  23   1.689  -2.503   1.048
  161    HA   SER  23           HA       SER  23   3.777  -4.174  -0.000
  162    HB2  SER  23          2HB       SER  23   4.269  -2.619   1.773
  163    HB3  SER  23          1HB       SER  23   2.934  -3.221   2.741
  164    HG   SER  23           HG       SER  23   5.142  -3.902   3.305
  165    H    ARG  24           H        ARG  24   4.118  -6.300   0.972
  166    HA   ARG  24           HA       ARG  24   1.633  -7.766   1.525
  167    HB2  ARG  24          2HB       ARG  24   2.817  -8.612  -0.350
  168    HB3  ARG  24          1HB       ARG  24   4.322  -8.615   0.574
  169    HG2  ARG  24          2HG       ARG  24   3.369 -10.908   0.254
  170    HG3  ARG  24          1HG       ARG  24   3.560 -10.445   1.940
  171    HD2  ARG  24          2HD       ARG  24   1.177  -9.857   2.054
  172    HD3  ARG  24          1HD       ARG  24   0.992 -10.313   0.369
  173    HE   ARG  24           HE       ARG  24   1.466 -12.569   0.967
  174   HH11  ARG  24          1HH1      ARG  24   1.070 -10.493   3.819
  175   HH12  ARG  24          2HH1      ARG  24   0.270 -11.679   4.748
  176   HH21  ARG  24          1HH2      ARG  24   0.458 -14.236   2.319
  177   HH22  ARG  24          2HH2      ARG  24  -0.010 -13.854   3.906
  178    H    ARG  25           H        ARG  25   4.824  -6.982   2.612
  179    HA   ARG  25           HA       ARG  25   5.043  -8.624   4.852
  180    HB2  ARG  25          2HB       ARG  25   6.861  -7.297   3.790
  181    HB3  ARG  25          1HB       ARG  25   6.086  -5.828   4.368
  182    HG2  ARG  25          2HG       ARG  25   6.383  -6.676   6.657
  183    HG3  ARG  25          1HG       ARG  25   7.327  -8.007   5.957
  184    HD2  ARG  25          2HD       ARG  25   8.852  -6.285   6.698
  185    HD3  ARG  25          1HD       ARG  25   8.841  -6.336   4.937
  186    HE   ARG  25           HE       ARG  25   6.975  -4.420   5.612
  187   HH11  ARG  25          1HH1      ARG  25  10.457  -4.816   6.121
  188   HH12  ARG  25          2HH1      ARG  25  10.721  -3.134   6.311
  189   HH21  ARG  25          1HH2      ARG  25   7.330  -2.253   5.941
  190   HH22  ARG  25          2HH2      ARG  25   8.906  -1.630   6.231
  191    H    ASP  26           H        ASP  26   4.051  -5.300   4.389
  192    HA   ASP  26           HA       ASP  26   3.052  -5.012   7.084
  193    HB2  ASP  26          2HB       ASP  26   3.068  -3.035   4.816
  194    HB3  ASP  26          1HB       ASP  26   2.900  -2.728   6.528
  195    H    ARG  27           H        ARG  27   1.894  -5.599   3.805
  196    HA   ARG  27           HA       ARG  27   0.055  -5.423   2.723
  197    HB2  ARG  27          2HB       ARG  27  -1.270  -6.243   5.295
  198    HB3  ARG  27          1HB       ARG  27  -1.860  -6.363   3.625
  199    HG2  ARG  27          2HG       ARG  27  -0.034  -7.873   3.100
  200    HG3  ARG  27          1HG       ARG  27   0.446  -7.848   4.797
  201    HD2  ARG  27          2HD       ARG  27  -0.852  -9.776   4.474
  202    HD3  ARG  27          1HD       ARG  27  -1.865  -8.630   5.357
  203    HE   ARG  27           HE       ARG  27  -2.080  -8.946   2.437
  204   HH11  ARG  27          1HH1      ARG  27  -3.631  -8.947   5.638
  205   HH12  ARG  27          2HH1      ARG  27  -5.175  -9.287   5.031
  206   HH21  ARG  27          1HH2      ARG  27  -4.253  -9.423   1.592
  207   HH22  ARG  27          2HH2      ARG  27  -5.536  -9.574   2.691
  208    H    TRP  28           H        TRP  28   0.776  -2.960   4.380
  209    HA   TRP  28           HA       TRP  28  -1.799  -1.730   3.924
  210    HB2  TRP  28          2HB       TRP  28  -1.019   0.209   5.276
  211    HB3  TRP  28          1HB       TRP  28  -1.036  -1.289   6.156
  212    HD1  TRP  28           HD       TRP  28   1.981  -0.151   4.026
  213    HE1  TRP  28          1HE       TRP  28   3.964   0.256   5.688
  214    HE3  TRP  28          3HE       TRP  28  -0.493  -0.797   8.383
  215    HZ2  TRP  28          2HZ       TRP  28   4.353   0.313   8.482
  216    HZ3  TRP  28          3HZ       TRP  28   0.695  -0.544  10.502
  217    HH2  TRP  28           HH       TRP  28   3.089  -0.000  10.554
  218    H    CYS  29           H        CYS  29  -1.427   0.660   3.191
  219    HA   CYS  29           HA       CYS  29  -0.215   0.436   0.577
  220    HB2  CYS  29          2HB       CYS  29  -2.467   1.523   1.139
  221    HB3  CYS  29          1HB       CYS  29  -1.531   2.836   1.841
  222    H    LYS  30           H        LYS  30   1.925   0.498   0.692
  223    HA   LYS  30           HA       LYS  30   3.212   2.122   2.687
  224    HB2  LYS  30          2HB       LYS  30   3.652  -0.305   2.425
  225    HB3  LYS  30          1HB       LYS  30   4.215  -0.005   0.798
  226    HG2  LYS  30          2HG       LYS  30   6.094   1.181   1.597
  227    HG3  LYS  30          1HG       LYS  30   5.477   1.141   3.260
  228    HD2  LYS  30          2HD       LYS  30   5.600  -1.325   3.238
  229    HD3  LYS  30          1HD       LYS  30   6.238  -1.278   1.600
  230    HE2  LYS  30          2HE       LYS  30   7.590  -0.015   3.978
  231    HE3  LYS  30          1HE       LYS  30   7.935  -1.643   3.411
  232    HZ1  LYS  30          1HZ       LYS  30   8.661  -0.742   1.319
  233    HZ2  LYS  30          2HZ       LYS  30   9.512   0.031   2.567
  234    HZ3  LYS  30          3HZ       LYS  30   8.252   0.814   1.786
  235    H    TYR  31           H        TYR  31   4.495   3.783   2.152
  236    HA   TYR  31           HA       TYR  31   4.206   5.270  -0.175
  237    HB2  TYR  31          2HB       TYR  31   5.086   6.082   2.009
  238    HB3  TYR  31          1HB       TYR  31   6.549   5.154   1.694
  239    HD1  TYR  31          1HD       TYR  31   4.598   8.108   0.662
  240    HD2  TYR  31          2HD       TYR  31   8.266   5.996   0.283
  241    HE1  TYR  31          1HE       TYR  31   5.613  10.060  -0.414
  242    HE2  TYR  31          2HE       TYR  31   9.281   7.933  -0.795
  243    HH   TYR  31           HH       TYR  31   8.500   9.872  -2.080
  244    H    TYR  32           H        TYR  32   5.106   5.079  -2.159
  245    HA   TYR  32           HA       TYR  32   6.938   2.859  -2.543
  246    HB2  TYR  32          2HB       TYR  32   4.877   2.906  -3.892
  247    HB3  TYR  32          1HB       TYR  32   5.356   4.459  -4.559
  248    HD1  TYR  32          1HD       TYR  32   6.893   1.104  -4.089
  249    HD2  TYR  32          2HD       TYR  32   6.197   4.374  -6.694
  250    HE1  TYR  32          1HE       TYR  32   8.093  -0.086  -5.885
  251    HE2  TYR  32          2HE       TYR  32   7.392   3.213  -8.498
  252    HH   TYR  32           HH       TYR  32   9.017   1.474  -8.790
  253    H    LEU  33           H        LEU  33   8.953   3.103  -3.269
  254    HA   LEU  33           HA       LEU  33   9.942   5.819  -3.357
  255    HB2  LEU  33          2HB       LEU  33  11.388   3.165  -3.245
  256    HB3  LEU  33          1HB       LEU  33  12.197   4.705  -3.364
  257    HG   LEU  33           HG       LEU  33  12.364   3.995  -1.125
  258   HD11  LEU  33          1HD1      LEU  33  10.219   6.078  -1.240
  259   HD12  LEU  33          2HD1      LEU  33  11.954   6.345  -1.379
  260   HD13  LEU  33          3HD1      LEU  33  11.272   5.751   0.137
  261   HD21  LEU  33          1HD2      LEU  33  10.579   2.336  -1.026
  262   HD22  LEU  33          2HD2      LEU  33   9.369   3.615  -1.076
  263   HD23  LEU  33          3HD2      LEU  33  10.435   3.469   0.319
  264    HN1  NH2  34          1H        LEU  33   9.151   6.403  -5.322
  265    HN2  NH2  34          2H        LEU  33   9.745   5.779  -6.825