*HEADER    TOXIN                                   25-SEP-18   6MK4              
*TITLE     SOLUTION NMR STRUCTURE OF SPIDER TOXIN ANALOGUE [E17K]PROTX-II        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BETA/OMEGA-THERAPHOTOXIN-TP2A;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: BETA/OMEGA-TRTX-TP2A, PROTX-II, PT-II, PROTOXIN-2, PROTX2;  
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: THRIXOPELMA PRURIENS;                           
*SOURCE   4 ORGANISM_COMMON: PERUVIAN GREEN VELVET TARANTULA;                    
*SOURCE   5 ORGANISM_TAXID: 213387                                               
*KEYWDS    PROTX-II ANALOGUE, SPIDER TOXIN, PEPTIDE-MEMBRANE INTERACTIONS,       
*KEYWDS   2 VOLTAGE-SENSITIVE SODIUM CHANNELS, TOXIN                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.I.SCHROEDER                                                         
*REVDAT   1   19-DEC-18 6MK4    0                                                
# Restraints file 1: restraints.tbl
!Distance restraints
assign (resid 4     and name HN   ) (resid 7     and name HZ3  )    4.71    4.71    0.00
assign (resid 3     and name HA   ) (resid 7     and name HE3  )    3.32    3.32    0.00
assign (resid 3     and name HA   ) (resid 7     and name HZ3  )    4.20    4.20    0.00
assign (resid 2     and name HA   ) (resid 3     and name HN   )    3.12    3.12    0.00
assign (resid 4     and name HN   ) (resid 7     and name HE3  )    3.77    3.77    0.00
assign (resid 4     and name HN   ) (resid 5     and name HN   )    5.17    5.17    0.00
assign (resid 5     and name HA   ) (resid 6     and name HN   )    3.57    3.57    0.00
assign (resid 7     and name HA   ) (resid 8     and name HN   )    3.05    3.05    0.00
assign (resid 8     and name HA   ) (resid 9     and name HN   )    3.02    3.02    0.00
assign (resid 9     and name HA   ) (resid 10    and name HN   )    3.11    3.11    0.00
assign (resid 10    and name HA   ) (resid 11    and name HN   )    3.51    3.51    0.00
assign (resid 13    and name HA   ) (resid 14    and name HN   )    2.94    2.94    0.00
assign (resid 14    and name HA   ) (resid 15    and name HN   )    2.98    2.98    0.00
assign (resid 15    and name HA   ) (resid 16    and name HN   )    2.99    2.99    0.00
assign (resid 17    and name HA   ) (resid 18    and name HN   )    2.85    2.85    0.00
assign (resid 19    and name HA   ) (resid 20    and name HN   )    3.08    3.08    0.00
assign (resid 23    and name HN   ) (resid 23    and name HA   )    2.88    2.88    0.00
assign (resid 16    and name HA   ) (resid 17    and name HN   )    2.78    2.78    0.00
assign (resid 22    and name HA   ) (resid 23    and name HN   )    2.86    2.86    0.00
assign (resid 20    and name HA   ) (resid 21    and name HN   )    2.90    2.90    0.00
assign (resid 24    and name HA   ) (resid 25    and name HN   )    3.19    3.19    0.00
assign (resid 25    and name HA   ) (resid 26    and name HN   )    2.94    2.94    0.00
assign (resid 26    and name HA   ) (resid 27    and name HN   )    3.07    3.07    0.00
assign (resid 27    and name HA   ) (resid 28    and name HN   )    3.02    3.02    0.00
assign (resid 28    and name HA   ) (resid 29    and name HN   )    3.01    3.01    0.00
assign (resid 1     and name HB2  ) (resid 2     and name HN   )    3.84    3.84    0.00
assign (resid 2     and name HB1  ) (resid 3     and name HN   )    4.14    4.14    0.00
assign (resid 2     and name HB2  ) (resid 3     and name HN   )    4.14    4.14    0.00
assign (resid 3     and name HN   ) (resid 3     and name HG1  )    4.59    4.59    0.00
assign (resid 3     and name HG1  ) (resid 15    and name HN   )    4.92    4.92    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB2  )    4.06    4.06    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB1  )    4.06    4.06    0.00
assign (resid 3     and name HN   ) (resid 3     and name HG2  )    3.42    3.42    0.00
assign (resid 3     and name HA   ) (resid 3     and name HG2  )    4.03    4.03    0.00
assign (resid 3     and name HG1  ) (resid 7     and name HE3  )    5.43    5.43    0.00
assign (resid 3     and name HG2  ) (resid 7     and name HE3  )    5.23    5.23    0.00
assign (resid 3     and name HB1  ) (resid 3     and name HE22 )    5.21    5.21    0.00
assign (resid 3     and name HB2  ) (resid 3     and name HE22 )    5.21    5.21    0.00
assign (resid 3     and name HG1  ) (resid 3     and name HE22 )    4.09    4.09    0.00
assign (resid 3     and name HA   ) (resid 3     and name HE22 )    5.04    5.04    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB#  )    2.85    2.85    0.00
assign (resid 5     and name HB#  ) (resid 5     and name HD1  )    3.65    3.65    0.00
assign (resid 5     and name HB#  ) (resid 5     and name HE3  )    3.28    3.28    0.00
assign (resid 1     and name HB1  ) (resid 2     and name HN   )    3.84    3.84    0.00
assign (resid 6     and name HN   ) (resid 6     and name HG1  )    4.61    4.61    0.00
assign (resid 6     and name HN   ) (resid 6     and name HG2  )    4.61    4.61    0.00
assign (resid 6     and name HA   ) (resid 6     and name HG2  )    4.07    4.07    0.00
assign (resid 6     and name HA   ) (resid 6     and name HG1  )    4.07    4.07    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB2  )    3.32    3.32    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB1  )    3.86    3.86    0.00
assign (resid 3     and name HE22 ) (resid 7     and name HB1  )    4.15    4.15    0.00
assign (resid 3     and name HE22 ) (resid 7     and name HB2  )    4.83    4.83    0.00
assign (resid 7     and name HA   ) (resid 7     and name HD1  )    3.48    3.48    0.00
assign (resid 7     and name HN   ) (resid 7     and name HD1  )    3.84    3.84    0.00
assign (resid 8     and name HB   ) (resid 9     and name HN   )    3.58    3.58    0.00
assign (resid 8     and name HN   ) (resid 8     and name HG2# )    3.37    3.37    0.00
assign (resid 8     and name HA   ) (resid 8     and name HG2# )    3.52    3.52    0.00
assign (resid 10    and name HN   ) (resid 10    and name HB#  )    4.00    4.00    0.00
assign (resid 10    and name HA   ) (resid 10    and name HB#  )    2.76    2.76    0.00
assign (resid 11    and name HA   ) (resid 11    and name HB#  )    2.94    2.94    0.00
assign (resid 11    and name HN   ) (resid 11    and name HB#  )    3.31    3.31    0.00
assign (resid 11    and name HB#  ) (resid 12    and name HN   )    4.14    4.14    0.00
assign (resid 12    and name HA   ) (resid 12    and name HG#  )    3.76    3.76    0.00
assign (resid 12    and name HN   ) (resid 12    and name HG#  )    3.92    3.92    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB2  )    4.09    4.09    0.00
assign (resid 12    and name HB2  ) (resid 13    and name HN   )    4.31    4.31    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB1  )    4.09    4.09    0.00
assign (resid 12    and name HB1  ) (resid 13    and name HN   )    4.31    4.31    0.00
assign (resid 13    and name HA   ) (resid 13    and name HG#  )    3.49    3.49    0.00
assign (resid 13    and name HB2  ) (resid 13    and name HE   )    3.89    3.89    0.00
assign (resid 13    and name HG#  ) (resid 13    and name HE   )    3.63    3.63    0.00
assign (resid 13    and name HB1  ) (resid 13    and name HE   )    4.14    4.14    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB2  )    3.49    3.49    0.00
assign (resid 13    and name HN   ) (resid 13    and name HG#  )    3.52    3.52    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB1  )    3.89    3.89    0.00
assign (resid 12    and name HG#  ) (resid 13    and name HN   )    4.43    4.43    0.00
assign (resid 14    and name HA   ) (resid 14    and name HG#  )    3.68    3.68    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB2  )    3.89    3.89    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB1  )    3.89    3.89    0.00
assign (resid 14    and name HN   ) (resid 14    and name HG#  )    3.37    3.37    0.00
assign (resid 14    and name HA   ) (resid 14    and name HE#  )    5.46    5.46    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB1  )    3.67    3.67    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB2  )    3.67    3.67    0.00
assign (resid 16    and name HN   ) (resid 16    and name HB1  )    3.90    3.90    0.00
assign (resid 16    and name HN   ) (resid 16    and name HB2  )    3.90    3.90    0.00
assign (resid 16    and name HB1  ) (resid 17    and name HN   )    3.98    3.98    0.00
assign (resid 16    and name HB2  ) (resid 17    and name HN   )    3.98    3.98    0.00
assign (resid 23    and name HN   ) (resid 23    and name HB1  )    4.18    4.18    0.00
assign (resid 29    and name HN   ) (resid 29    and name HD1# )    4.60    4.60    0.00
assign (resid 23    and name HN   ) (resid 23    and name HD2# )    4.53    4.53    0.00
assign (resid 29    and name HN   ) (resid 29    and name HD2# )    4.60    4.60    0.00
assign (resid 23    and name HN   ) (resid 23    and name HG   )    5.50    5.50    0.00
assign (resid 17    and name HB2  ) (resid 17    and name QZ   )    5.50    5.50    0.00
assign (resid 17    and name HB1  ) (resid 17    and name QZ   )    5.50    5.50    0.00
assign (resid 17    and name HG2  ) (resid 17    and name QZ   )    4.96    4.96    0.00
assign (resid 17    and name HG1  ) (resid 17    and name QZ   )    4.96    4.96    0.00
assign (resid 17    and name HA   ) (resid 17    and name HE#  )    5.38    5.38    0.00
assign (resid 19    and name HA   ) (resid 19    and name HG1  )    3.94    3.94    0.00
assign (resid 19    and name HA   ) (resid 19    and name HG2  )    3.83    3.83    0.00
assign (resid 19    and name HN   ) (resid 19    and name HG1  )    3.99    3.99    0.00
assign (resid 19    and name HN   ) (resid 19    and name HB2  )    3.17    3.17    0.00
assign (resid 19    and name HB1  ) (resid 20    and name HN   )    3.33    3.33    0.00
assign (resid 21    and name HN   ) (resid 21    and name HB2  )    3.43    3.43    0.00
assign (resid 21    and name HN   ) (resid 21    and name HB1  )    3.43    3.43    0.00
assign (resid 22    and name HB2  ) (resid 22    and name HE   )    4.71    4.71    0.00
assign (resid 22    and name HB1  ) (resid 22    and name HE   )    4.71    4.71    0.00
assign (resid 22    and name HN   ) (resid 22    and name HG#  )    4.44    4.44    0.00
assign (resid 22    and name HN   ) (resid 22    and name HB1  )    3.89    3.89    0.00
assign (resid 22    and name HN   ) (resid 22    and name HB2  )    3.89    3.89    0.00
assign (resid 22    and name HA   ) (resid 22    and name HD2  )    4.57    4.57    0.00
assign (resid 22    and name HA   ) (resid 22    and name HD1  )    4.57    4.57    0.00
assign (resid 22    and name HA   ) (resid 22    and name HG#  )    3.76    3.76    0.00
assign (resid 23    and name HA   ) (resid 23    and name HG   )    3.99    3.99    0.00
assign (resid 23    and name HA   ) (resid 23    and name HD2# )    4.91    4.91    0.00
assign (resid 23    and name HA   ) (resid 23    and name HD1# )    4.91    4.91    0.00
assign (resid 24    and name HN   ) (resid 24    and name HB2  )    4.06    4.06    0.00
assign (resid 24    and name HN   ) (resid 24    and name HB1  )    4.20    4.20    0.00
assign (resid 24    and name HB1  ) (resid 24    and name HE3  )    3.71    3.71    0.00
assign (resid 24    and name HB2  ) (resid 24    and name HD1  )    3.88    3.88    0.00
assign (resid 24    and name HB1  ) (resid 24    and name HD1  )    3.88    3.88    0.00
assign (resid 24    and name HA   ) (resid 24    and name HD1  )    4.46    4.46    0.00
assign (resid 24    and name HA   ) (resid 24    and name HE3  )    5.13    5.13    0.00
assign (resid 25    and name HN   ) (resid 25    and name HB2  )    3.81    3.81    0.00
assign (resid 25    and name HN   ) (resid 25    and name HB1  )    3.81    3.81    0.00
assign (resid 26    and name HG1  ) (resid 26    and name QZ   )    4.75    4.75    0.00
assign (resid 26    and name HG2  ) (resid 26    and name QZ   )    5.14    5.14    0.00
assign (resid 26    and name HN   ) (resid 26    and name HG2  )    4.50    4.50    0.00
assign (resid 26    and name HN   ) (resid 26    and name HG1  )    4.75    4.75    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB2  )    4.10    4.10    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB1  )    4.10    4.10    0.00
assign (resid 26    and name HA   ) (resid 26    and name HE#  )    5.50    5.50    0.00
assign (resid 26    and name HA   ) (resid 26    and name HG1  )    4.11    4.11    0.00
assign (resid 26    and name HA   ) (resid 26    and name HG2  )    4.15    4.15    0.00
assign (resid 27    and name HN   ) (resid 27    and name HB2  )    3.65    3.65    0.00
assign (resid 27    and name HN   ) (resid 27    and name HB1  )    3.65    3.65    0.00
assign (resid 27    and name HG1  ) (resid 27    and name QZ   )    5.27    5.27    0.00
assign (resid 27    and name HG2  ) (resid 27    and name QZ   )    5.27    5.27    0.00
assign (resid 27    and name HB2  ) (resid 27    and name QZ   )    4.44    4.44    0.00
assign (resid 27    and name HB1  ) (resid 27    and name QZ   )    4.44    4.44    0.00
assign (resid 28    and name HN   ) (resid 28    and name HB2  )    3.66    3.66    0.00
assign (resid 28    and name HN   ) (resid 28    and name HB1  )    3.66    3.66    0.00
assign (resid 28    and name HN   ) (resid 28    and name HG#  )    4.21    4.21    0.00
assign (resid 28    and name HB2  ) (resid 28    and name QZ   )    5.25    5.25    0.00
assign (resid 28    and name HB1  ) (resid 28    and name QZ   )    5.25    5.25    0.00
assign (resid 28    and name HG#  ) (resid 28    and name QZ   )    5.50    5.50    0.00
assign (resid 28    and name HA   ) (resid 28    and name HE#  )    5.50    5.50    0.00
assign (resid 29    and name HA   ) (resid 29    and name HD1# )    4.98    4.98    0.00
assign (resid 29    and name HA   ) (resid 29    and name HD2# )    4.98    4.98    0.00
assign (resid 22    and name HG#  ) (resid 23    and name HN   )    3.34    3.34    0.00
assign (resid 29    and name HN   ) (resid 29    and name HB#  )    3.60    3.60    0.00
assign (resid 4     and name HA   ) (resid 4     and name HG2  )    4.06    4.06    0.00
assign (resid 4     and name HA   ) (resid 4     and name HE#  )    5.50    5.50    0.00
assign (resid 4     and name HA   ) (resid 5     and name HN   )    3.29    3.29    0.00
assign (resid 19    and name HA   ) (resid 28    and name HN   )    3.96    3.96    0.00
assign (resid 22    and name HN   ) (resid 25    and name HA   )    4.34    4.34    0.00
assign (resid 8     and name HA   ) (resid 25    and name HN   )    4.21    4.21    0.00
assign (resid 5     and name HA   ) (resid 7     and name HN   )    4.37    4.37    0.00
assign (resid 5     and name HA   ) (resid 25    and name HN   )    4.83    4.83    0.00
assign (resid 26    and name HN   ) (resid 27    and name HA   )    5.16    5.16    0.00
assign (resid 20    and name HA   ) (resid 26    and name HN   )    5.29    5.29    0.00
assign (resid 25    and name HB1  ) (resid 26    and name HN   )    4.79    4.79    0.00
assign (resid 19    and name HG2  ) (resid 26    and name HN   )    4.65    4.65    0.00
assign (resid 19    and name HB1  ) (resid 26    and name HN   )    4.21    4.21    0.00
assign (resid 20    and name HN   ) (resid 26    and name HG1  )    5.50    5.50    0.00
assign (resid 20    and name HN   ) (resid 26    and name HG2  )    4.75    4.75    0.00
assign (resid 17    and name HB1  ) (resid 18    and name HN   )    4.65    4.65    0.00
assign (resid 17    and name HB2  ) (resid 18    and name HN   )    4.65    4.65    0.00
assign (resid 20    and name HB   ) (resid 21    and name HN   )    4.35    4.35    0.00
assign (resid 24    and name HB2  ) (resid 25    and name HN   )    3.52    3.52    0.00
assign (resid 24    and name HB1  ) (resid 25    and name HN   )    4.51    4.51    0.00
assign (resid 9     and name HB1  ) (resid 10    and name HN   )    4.43    4.43    0.00
assign (resid 9     and name HB2  ) (resid 10    and name HN   )    3.84    3.84    0.00
assign (resid 7     and name HB1  ) (resid 8     and name HN   )    3.52    3.52    0.00
assign (resid 7     and name HB2  ) (resid 8     and name HN   )    4.21    4.21    0.00
assign (resid 9     and name HB1  ) (resid 15    and name HN   )    4.27    4.27    0.00
assign (resid 9     and name HB2  ) (resid 15    and name HN   )    4.71    4.71    0.00
assign (resid 5     and name HB#  ) (resid 6     and name HN   )    4.06    4.06    0.00
assign (resid 19    and name HB2  ) (resid 20    and name HN   )    4.19    4.19    0.00
assign (resid 19    and name HG2  ) (resid 20    and name HN   )    4.49    4.49    0.00
assign (resid 24    and name HE1  ) (resid 26    and name HG1  )    4.78    4.78    0.00
assign (resid 24    and name HE1  ) (resid 26    and name HE#  )    5.16    5.16    0.00
assign (resid 7     and name HA   ) (resid 7     and name HE1  )    5.35    5.35    0.00
assign (resid 20    and name HN   ) (resid 26    and name HN   )    3.84    3.84    0.00
assign (resid 25    and name HN   ) (resid 26    and name HN   )    4.93    4.93    0.00
assign (resid 26    and name HN   ) (resid 27    and name HN   )    4.87    4.87    0.00
assign (resid 22    and name HN   ) (resid 26    and name HN   )    5.31    5.31    0.00
assign (resid 5     and name HD1  ) (resid 6     and name HN   )    3.69    3.69    0.00
assign (resid 14    and name HN   ) (resid 15    and name HN   )    4.62    4.62    0.00
assign (resid 6     and name HN   ) (resid 7     and name HN   )    3.69    3.69    0.00
assign (resid 3     and name HE21 ) (resid 7     and name HE3  )    4.48    4.48    0.00
assign (resid 18    and name HN   ) (resid 19    and name HN   )    3.47    3.47    0.00
assign (resid 24    and name HD1  ) (resid 25    and name HN   )    4.58    4.58    0.00
assign (resid 13    and name HN   ) (resid 13    and name HE   )    4.57    4.57    0.00
assign (resid 1     and name HD#  ) (resid 2     and name HN   )    4.34    4.34    0.00
assign (resid 29    and name HN   ) (resid 30    and name HN   )    3.86    3.86    0.00
assign (resid 24    and name HN   ) (resid 24    and name HE3  )    3.93    3.93    0.00
assign (resid 10    and name HN   ) (resid 13    and name HN   )    3.64    3.64    0.00
assign (resid 27    and name HN   ) (resid 28    and name HN   )    4.71    4.71    0.00
assign (resid 11    and name HN   ) (resid 12    and name HN   )    3.54    3.54    0.00
assign (resid 5     and name HN   ) (resid 6     and name HN   )    5.02    5.02    0.00
assign (resid 19    and name HN   ) (resid 20    and name HN   )    4.74    4.74    0.00
assign (resid 17    and name HN   ) (resid 18    and name HN   )    4.82    4.82    0.00
assign (resid 2     and name HN   ) (resid 3     and name HN   )    4.58    4.58    0.00
assign (resid 4     and name HG1  ) (resid 7     and name HZ3  )    5.50    5.50    0.00
assign (resid 4     and name HG1  ) (resid 7     and name HH2  )    5.50    5.50    0.00
assign (resid 4     and name HG1  ) (resid 7     and name HZ2  )    5.50    5.50    0.00
assign (resid 4     and name HG1  ) (resid 7     and name HE3  )    5.50    5.50    0.00
assign (resid 4     and name HG1  ) (resid 5     and name HN   )    5.37    5.37    0.00
assign (resid 4     and name HG2  ) (resid 5     and name HN   )    4.65    4.65    0.00
assign (resid 8     and name HG2# ) (resid 9     and name HN   )    3.97    3.97    0.00
assign (resid 4     and name HB1  ) (resid 5     and name HN   )    3.11    3.11    0.00
assign (resid 4     and name HB2  ) (resid 5     and name HN   )    3.73    3.73    0.00
assign (resid 4     and name HB2  ) (resid 7     and name HE3  )    5.22    5.22    0.00
assign (resid 4     and name HB2  ) (resid 7     and name HZ2  )    5.50    5.50    0.00
assign (resid 4     and name HB2  ) (resid 7     and name HD1  )    5.29    5.29    0.00
assign (resid 28    and name HG#  ) (resid 29    and name HN   )    4.59    4.59    0.00
assign (resid 28    and name HG#  ) (resid 30    and name HN   )    4.50    4.50    0.00
assign (resid 7     and name HB1  ) (resid 7     and name HE3  )    3.65    3.65    0.00
assign (resid 7     and name HB2  ) (resid 7     and name HE3  )    3.94    3.94    0.00
assign (resid 17    and name HA   ) (resid 19    and name HN   )    4.04    4.04    0.00
assign (resid 5     and name HD1  ) (resid 6     and name HA   )    5.22    5.22    0.00
assign (resid 1     and name HA   ) (resid 1     and name HD#  )    4.03    4.03    0.00
assign (resid 8     and name HA   ) (resid 24    and name HD1  )    4.99    4.99    0.00
assign (resid 27    and name HA   ) (resid 27    and name QZ   )    5.10    5.10    0.00
assign (resid 9     and name HN   ) (resid 24    and name HA   )    3.72    3.72    0.00
assign (resid 8     and name HA   ) (resid 24    and name HA   )    3.61    3.61    0.00
assign (resid 8     and name HG2# ) (resid 24    and name HD1  )    4.50    4.50    0.00
assign (resid 6     and name HG2  ) (resid 7     and name HN   )    4.84    4.84    0.00
assign (resid 6     and name HG1  ) (resid 7     and name HN   )    4.84    4.84    0.00
assign (resid 6     and name HB2  ) (resid 7     and name HN   )    5.50    5.50    0.00
assign (resid 6     and name HB1  ) (resid 7     and name HN   )    5.50    5.50    0.00
assign (resid 10    and name HN   ) (resid 13    and name HB2  )    3.62    3.62    0.00
assign (resid 10    and name HN   ) (resid 13    and name HG#  )    4.67    4.67    0.00
assign (resid 10    and name HN   ) (resid 13    and name HB1  )    4.15    4.15    0.00
assign (resid 8     and name HG2# ) (resid 25    and name HN   )    4.81    4.81    0.00
assign (resid 9     and name HA   ) (resid 13    and name HN   )    5.46    5.46    0.00
assign (resid 10    and name HB#  ) (resid 11    and name HN   )    2.81    2.81    0.00
assign (resid 21    and name HB2  ) (resid 22    and name HN   )    4.45    4.45    0.00
assign (resid 21    and name HB1  ) (resid 22    and name HN   )    4.45    4.45    0.00
assign (resid 10    and name HB#  ) (resid 12    and name HN   )    3.71    3.71    0.00
assign (resid 10    and name HB#  ) (resid 13    and name HN   )    4.16    4.16    0.00
assign (resid 13    and name HB2  ) (resid 14    and name HN   )    4.59    4.59    0.00
assign (resid 13    and name HG#  ) (resid 14    and name HN   )    4.52    4.52    0.00
assign (resid 13    and name HB1  ) (resid 14    and name HN   )    3.84    3.84    0.00
assign (resid 14    and name HG#  ) (resid 15    and name HN   )    4.23    4.23    0.00
assign (resid 14    and name HB1  ) (resid 15    and name HN   )    4.30    4.30    0.00
assign (resid 14    and name HB2  ) (resid 15    and name HN   )    4.30    4.30    0.00
assign (resid 4     and name HB2  ) (resid 7     and name HE1  )    5.36    5.36    0.00
assign (resid 4     and name HB2  ) (resid 7     and name HN   )    5.50    5.50    0.00
assign (resid 23    and name HN   ) (resid 23    and name HB2  )    4.18    4.18    0.00
assign (resid 23    and name HN   ) (resid 23    and name HD1# )    4.53    4.53    0.00
assign (resid 26    and name HG2  ) (resid 27    and name HN   )    4.56    4.56    0.00
assign (resid 25    and name HB2  ) (resid 26    and name HN   )    4.79    4.79    0.00
assign (resid 26    and name HG1  ) (resid 27    and name HN   )    3.44    3.44    0.00
assign (resid 26    and name HB2  ) (resid 27    and name HN   )    4.50    4.50    0.00
assign (resid 26    and name HB1  ) (resid 27    and name HN   )    4.50    4.50    0.00
assign (resid 19    and name HG2  ) (resid 27    and name HN   )    4.79    4.79    0.00
assign (resid 27    and name HB1  ) (resid 28    and name HN   )    3.88    3.88    0.00
assign (resid 27    and name HB2  ) (resid 28    and name HN   )    3.88    3.88    0.00
assign (resid 29    and name HB#  ) (resid 30    and name HN   )    4.06    4.06    0.00
assign (resid 29    and name HD2# ) (resid 30    and name HN   )    5.11    5.11    0.00
assign (resid 29    and name HD1# ) (resid 30    and name HN   )    5.11    5.11    0.00
assign (resid 3     and name HB1  ) (resid 3     and name HE21 )    4.54    4.54    0.00
assign (resid 3     and name HB2  ) (resid 3     and name HE21 )    4.54    4.54    0.00
assign (resid 3     and name HG1  ) (resid 3     and name HE21 )    3.50    3.50    0.00
assign (resid 3     and name HE21 ) (resid 9     and name HA   )    4.93    4.93    0.00
assign (resid 3     and name HA   ) (resid 3     and name HE21 )    4.90    4.90    0.00
assign (resid 3     and name HE21 ) (resid 7     and name HB2  )    4.54    4.54    0.00
assign (resid 3     and name HE21 ) (resid 7     and name HB1  )    3.98    3.98    0.00
assign (resid 3     and name HE21 ) (resid 13    and name HD2  )    5.30    5.30    0.00
assign (resid 3     and name HE21 ) (resid 9     and name HB1  )    5.50    5.50    0.00
assign (resid 3     and name HE21 ) (resid 13    and name HD1  )    5.30    5.30    0.00
assign (resid 3     and name HE21 ) (resid 13    and name HB2  )    5.21    5.21    0.00
assign (resid 3     and name HE21 ) (resid 13    and name HG#  )    5.12    5.12    0.00
assign (resid 3     and name HE21 ) (resid 13    and name HB1  )    4.49    4.49    0.00
assign (resid 10    and name HN   ) (resid 11    and name HN   )    5.17    5.17    0.00
assign (resid 3     and name HE21 ) (resid 8     and name HN   )    5.23    5.23    0.00
assign (resid 5     and name HA   ) (resid 5     and name HE3  )    4.87    4.87    0.00
assign (resid 1     and name HA   ) (resid 1     and name HE#  )    5.50    5.50    0.00
assign (resid 7     and name HA   ) (resid 7     and name HE3  )    5.30    5.30    0.00
assign (resid 4     and name HN   ) (resid 7     and name HB2  )    4.44    4.44    0.00
assign (resid 22    and name HA   ) (resid 23    and name HA   )    4.48    4.48    0.00
assign (resid 3     and name HA   ) (resid 7     and name HB2  )    4.85    4.85    0.00
assign (resid 3     and name HA   ) (resid 7     and name HB1  )    4.78    4.78    0.00
assign (resid 9     and name HB2  ) (resid 14    and name HA   )    4.61    4.61    0.00
assign (resid 9     and name HB1  ) (resid 14    and name HA   )    4.92    4.92    0.00
assign (resid 3     and name HB2  ) (resid 15    and name HA   )    3.80    3.80    0.00
assign (resid 3     and name HB1  ) (resid 15    and name HA   )    3.80    3.80    0.00
assign (resid 3     and name HG1  ) (resid 9     and name HA   )    4.32    4.32    0.00
assign (resid 3     and name HB2  ) (resid 4     and name HN   )    4.73    4.73    0.00
assign (resid 3     and name HB1  ) (resid 4     and name HN   )    4.73    4.73    0.00
assign (resid 9     and name HA   ) (resid 13    and name HB2  )    4.11    4.11    0.00
assign (resid 9     and name HA   ) (resid 13    and name HG#  )    5.06    5.06    0.00
assign (resid 9     and name HA   ) (resid 13    and name HB1  )    4.35    4.35    0.00
assign (resid 19    and name HA   ) (resid 27    and name HA   )    4.43    4.43    0.00
assign (resid 3     and name HG2  ) (resid 15    and name HA   )    4.47    4.47    0.00
assign (resid 19    and name HG1  ) (resid 27    and name HA   )    4.23    4.23    0.00
assign (resid 19    and name HG2  ) (resid 27    and name HA   )    3.43    3.43    0.00
assign (resid 19    and name HB1  ) (resid 27    and name HA   )    4.31    4.31    0.00
assign (resid 4     and name HN   ) (resid 4     and name HB2  )    4.01    4.01    0.00
assign (resid 4     and name HN   ) (resid 4     and name HG1  )    4.12    4.12    0.00
assign (resid 4     and name HN   ) (resid 4     and name HG2  )    4.64    4.64    0.00
assign (resid 11    and name HB#  ) (resid 12    and name HG#  )    5.04    5.04    0.00
assign (resid 3     and name HG1  ) (resid 15    and name HA   )    4.82    4.82    0.00
assign (resid 3     and name HA   ) (resid 4     and name HG1  )    5.43    5.43    0.00
assign (resid 1     and name HB#  ) (resid 2     and name HN   )    3.33    3.33    0.00
assign (resid 2     and name HN   ) (resid 2     and name HB#  )    3.44    3.44    0.00
assign (resid 2     and name HB#  ) (resid 3     and name HN   )    3.27    3.27    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB#  )    3.43    3.43    0.00
assign (resid 3     and name HB#  ) (resid 3     and name HE21 )    3.78    3.78    0.00
assign (resid 3     and name HB#  ) (resid 3     and name HE22 )    4.58    4.58    0.00
assign (resid 3     and name HB#  ) (resid 4     and name HN   )    4.15    4.15    0.00
assign (resid 3     and name HB#  ) (resid 7     and name HE3  )    4.75    4.75    0.00
assign (resid 3     and name HB#  ) (resid 15    and name HA   )    3.22    3.22    0.00
assign (resid 3     and name HB#  ) (resid 16    and name HN   )    3.54    3.54    0.00
assign (resid 3     and name HE21 ) (resid 13    and name HD#  )    4.48    4.48    0.00
assign (resid 5     and name HD1  ) (resid 6     and name HB#  )    4.48    4.48    0.00
assign (resid 5     and name HE1  ) (resid 6     and name HB#  )    4.91    4.91    0.00
assign (resid 5     and name HZ2  ) (resid 6     and name HB#  )    4.85    4.85    0.00
assign (resid 6     and name HA   ) (resid 6     and name HG#  )    3.51    3.51    0.00
assign (resid 13    and name HA   ) (resid 13    and name HD#  )    4.43    4.43    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB#  )    3.13    3.13    0.00
assign (resid 14    and name HB#  ) (resid 15    and name HN   )    3.45    3.45    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB#  )    3.12    3.12    0.00
assign (resid 15    and name HB#  ) (resid 16    and name HN   )    3.48    3.48    0.00
assign (resid 16    and name HN   ) (resid 16    and name HB#  )    3.20    3.20    0.00
assign (resid 16    and name HB#  ) (resid 17    and name HN   )    3.14    3.14    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB#  )    3.14    3.14    0.00
assign (resid 17    and name HN   ) (resid 17    and name HG#  )    5.17    5.17    0.00
assign (resid 17    and name HB#  ) (resid 17    and name QZ   )    4.74    4.74    0.00
assign (resid 17    and name HB#  ) (resid 18    and name HN   )    3.98    3.98    0.00
assign (resid 17    and name HG#  ) (resid 17    and name QZ   )    4.36    4.36    0.00
assign (resid 17    and name HG#  ) (resid 18    and name HN   )    4.04    4.04    0.00
assign (resid 19    and name HA   ) (resid 20    and name HG## )    4.78    4.78    0.00
assign (resid 20    and name HN   ) (resid 20    and name HG## )    3.42    3.42    0.00
assign (resid 20    and name HN   ) (resid 26    and name HB#  )    4.48    4.48    0.00
assign (resid 20    and name HG## ) (resid 21    and name HN   )    3.78    3.78    0.00
assign (resid 20    and name HG## ) (resid 21    and name HA   )    4.66    4.66    0.00
assign (resid 20    and name HG## ) (resid 22    and name HN   )    4.61    4.61    0.00
assign (resid 20    and name HG## ) (resid 26    and name HN   )    4.38    4.38    0.00
assign (resid 21    and name HN   ) (resid 21    and name HB#  )    2.99    2.99    0.00
assign (resid 22    and name HN   ) (resid 22    and name HB#  )    3.32    3.32    0.00
assign (resid 22    and name HA   ) (resid 22    and name HD#  )    3.80    3.80    0.00
assign (resid 22    and name HB#  ) (resid 22    and name HE   )    3.96    3.96    0.00
assign (resid 22    and name HB#  ) (resid 23    and name HN   )    4.22    4.22    0.00
assign (resid 23    and name HN   ) (resid 23    and name HB#  )    3.39    3.39    0.00
assign (resid 23    and name HN   ) (resid 23    and name HD## )    3.89    3.89    0.00
assign (resid 23    and name HA   ) (resid 23    and name HD## )    3.45    3.45    0.00
assign (resid 23    and name HB#  ) (resid 24    and name HE3  )    4.03    4.03    0.00
assign (resid 23    and name HB#  ) (resid 24    and name HZ3  )    4.72    4.72    0.00
assign (resid 23    and name HD## ) (resid 24    and name HN   )    4.99    4.99    0.00
assign (resid 23    and name HD## ) (resid 24    and name HE3  )    4.41    4.41    0.00
assign (resid 23    and name HD## ) (resid 24    and name HZ3  )    3.98    3.98    0.00
assign (resid 24    and name HE1  ) (resid 26    and name HB#  )    4.88    4.88    0.00
assign (resid 25    and name HN   ) (resid 25    and name HB#  )    3.11    3.11    0.00
assign (resid 25    and name HB#  ) (resid 26    and name HN   )    4.02    4.02    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB#  )    3.33    3.33    0.00
assign (resid 26    and name HB#  ) (resid 26    and name QZ   )    4.52    4.52    0.00
assign (resid 26    and name HB#  ) (resid 27    and name HN   )    3.90    3.90    0.00
assign (resid 27    and name HN   ) (resid 27    and name HB#  )    3.14    3.14    0.00
assign (resid 27    and name HN   ) (resid 27    and name HG#  )    3.57    3.57    0.00
assign (resid 27    and name HA   ) (resid 27    and name HG#  )    3.61    3.61    0.00
assign (resid 27    and name HG#  ) (resid 28    and name HN   )    4.06    4.06    0.00
assign (resid 29    and name HN   ) (resid 29    and name HD## )    4.00    4.00    0.00
assign (resid 29    and name HA   ) (resid 29    and name HD## )    3.68    3.68    0.00
assign (resid 29    and name HD## ) (resid 30    and name HN   )    4.50    4.50    0.00
!Dihedral restraints
assign (resid 1     and name C    ) (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    )    1.0 -123.1   47.4 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    ) (resid 3     and name N    )    1.0  153.9   32.8 2
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0 -106.4   22.0 2 
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -69.2   25.0 2 
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  145.4   31.1 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0  -67.0   30.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  -21.8   30.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name CB   ) (resid 7     and name CG   )    1.0  -60.0   30.0 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0 -140.6   20.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  161.3   20.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name CB   ) (resid 9     and name SG   )    1.0   60.0   30.0 2 
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0  -62.8   20.0 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  -24.7   20.0 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0  -75.5   23.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  136.1   23.8 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -81.2   23.6 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  137.8   29.1 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0  -73.9   20.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0  142.5   21.5 2
assign (resid 16    and name C    ) (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    )    1.0  -57.9   20.0 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    ) (resid 18    and name N    )    1.0  133.5   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   92.0   20.0 2
assign (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    ) (resid 19    and name N    )    1.0   -1.3   20.0 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0 -124.3   20.0 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0 -127.3   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  145.8   26.2 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0  -70.7   20.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0  136.0   30.0 2 
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name CB   ) (resid 21    and name SG   )    1.0  180.0   30.0 2 
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -61.9   20.0 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    ) (resid 24    and name N    )    1.0  -38.3   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  -72.9   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  137.4   24.0 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name CB   ) (resid 25    and name SG   )    1.0  -60.0   30.0 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0 -123.8   40.5 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  150.2   31.7 2
assign (resid 26    and name C    ) (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    )    1.0  -66.2   30.0 2
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    ) (resid 28    and name N    )    1.0  142.5   30.0 2
!Hydrogen bonds
assign (resid 4     and name O    ) (resid 7     and name HN   )    2.30    2.30    0.00
assign (resid 4     and name O    ) (resid 7     and name N    )    3.30    3.30    0.00
assign (resid 20    and name O    ) (resid 26    and name HN   )    2.30    2.30    0.00
assign (resid 20    and name O    ) (resid 26    and name N    )    3.30    3.30    0.00
assign (resid 20    and name HN   ) (resid 26    and name O    )    2.30    2.30    0.00
assign (resid 20    and name N    ) (resid 26    and name O    )    3.30    3.30    0.00
assign (resid 9     and name HN   ) (resid 22    and name O    )    2.30    2.30    0.00
assign (resid 9     and name N    ) (resid 22    and name O    )    3.30    3.30    0.00
assign (resid 16    and name O    ) (resid 19    and name HN   )    2.30    2.30    0.00
assign (resid 16    and name O    ) (resid 19    and name N    )    3.30    3.30    0.00
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TYR   1          1HT       TYR   1 -12.299  -0.238   2.567
    2    H2   TYR   1          2HT       TYR   1 -12.731   0.415   4.061
    3    H3   TYR   1          3HT       TYR   1 -11.506  -0.760   3.944
    4    HA   TYR   1           HA       TYR   1 -11.350   1.936   2.773
    5    HB2  TYR   1          2HB       TYR   1  -9.788   0.686   5.044
    6    HB3  TYR   1          1HB       TYR   1  -9.549   2.288   4.387
    7    HD1  TYR   1          1HD       TYR   1 -11.510   0.213   6.641
    8    HD2  TYR   1          2HD       TYR   1 -11.152   4.086   4.917
    9    HE1  TYR   1          1HE       TYR   1 -12.959   1.121   8.386
   10    HE2  TYR   1          2HE       TYR   1 -12.606   4.996   6.653
   11    HH   TYR   1           HH       TYR   1 -14.296   4.261   8.273
   12    H    CYS   2           H        CYS   2  -9.481   2.195   1.518
   13    HA   CYS   2           HA       CYS   2  -7.980  -0.221   0.962
   14    HB2  CYS   2          2HB       CYS   2  -6.780   1.191  -0.708
   15    HB3  CYS   2          1HB       CYS   2  -8.511   1.193  -0.988
   16    H    GLN   3           H        GLN   3  -5.586  -0.121   1.226
   17    HA   GLN   3           HA       GLN   3  -5.144   0.994   3.818
   18    HB2  GLN   3          2HB       GLN   3  -3.251  -0.673   2.145
   19    HB3  GLN   3          1HB       GLN   3  -3.062  -0.247   3.826
   20    HG2  GLN   3          2HG       GLN   3  -5.295  -1.924   2.725
   21    HG3  GLN   3          1HG       GLN   3  -3.848  -2.530   3.529
   22   HE21  GLN   3          1HE2      GLN   3  -3.587  -2.120   5.690
   23   HE22  GLN   3          2HE2      GLN   3  -4.913  -1.729   6.743
   24    H    LYS   4           H        LYS   4  -4.165   2.680   4.319
   25    HA   LYS   4           HA       LYS   4  -3.337   4.590   2.368
   26    HB2  LYS   4          2HB       LYS   4  -3.417   4.666   5.382
   27    HB3  LYS   4          1HB       LYS   4  -3.095   6.064   4.366
   28    HG2  LYS   4          2HG       LYS   4  -5.307   5.839   3.344
   29    HG3  LYS   4          1HG       LYS   4  -5.617   4.413   4.327
   30    HD2  LYS   4          2HD       LYS   4  -6.739   6.336   5.285
   31    HD3  LYS   4          1HD       LYS   4  -5.441   5.803   6.351
   32    HE2  LYS   4          2HE       LYS   4  -4.018   7.589   5.585
   33    HE3  LYS   4          1HE       LYS   4  -5.204   8.069   4.376
   34    HZ1  LYS   4          1HZ       LYS   4  -5.592   8.172   7.319
   35    HZ2  LYS   4          2HZ       LYS   4  -6.717   8.693   6.178
   36    HZ3  LYS   4          3HZ       LYS   4  -5.251   9.495   6.348
   37    H    TRP   5           H        TRP   5  -1.299   5.955   2.996
   38    HA   TRP   5           HA       TRP   5   0.923   4.347   2.394
   39    HB2  TRP   5          2HB       TRP   5   2.268   6.305   2.434
   40    HB3  TRP   5          1HB       TRP   5   0.677   6.843   1.911
   41    HD1  TRP   5           HD       TRP   5  -0.822   8.010   3.961
   42    HE1  TRP   5          1HE       TRP   5  -0.040   9.577   5.825
   43    HE3  TRP   5          3HE       TRP   5   4.129   6.854   3.902
   44    HZ2  TRP   5          2HZ       TRP   5   2.386  10.221   7.125
   45    HZ3  TRP   5          3HZ       TRP   5   5.616   7.977   5.500
   46    HH2  TRP   5           HH       TRP   5   4.749   9.627   7.075
   47    H    MET   6           H        MET   6  -0.268   5.449   5.472
   48    HA   MET   6           HA       MET   6   2.144   4.521   6.692
   49    HB2  MET   6          2HB       MET   6   1.323   5.432   8.848
   50    HB3  MET   6          1HB       MET   6   1.329   6.626   7.567
   51    HG2  MET   6          2HG       MET   6  -1.076   6.433   7.340
   52    HG3  MET   6          1HG       MET   6  -1.100   5.139   8.533
   53    HE1  MET   6          1HE       MET   6  -0.078   9.536   9.538
   54    HE2  MET   6          2HE       MET   6  -0.510   8.971   7.922
   55    HE3  MET   6          3HE       MET   6   1.029   8.498   8.643
   56    H    TRP   7           H        TRP   7  -0.275   2.961   5.520
   57    HA   TRP   7           HA       TRP   7  -0.729   1.126   7.748
   58    HB2  TRP   7          2HB       TRP   7  -2.326   1.623   5.206
   59    HB3  TRP   7          1HB       TRP   7  -2.655   0.283   6.290
   60    HD1  TRP   7           HD       TRP   7  -1.824   3.388   8.159
   61    HE1  TRP   7          1HE       TRP   7  -3.968   4.493   9.101
   62    HE3  TRP   7          3HE       TRP   7  -5.334   0.681   5.650
   63    HZ2  TRP   7          2HZ       TRP   7  -6.747   4.242   8.813
   64    HZ3  TRP   7          3HZ       TRP   7  -7.694   1.175   6.024
   65    HH2  TRP   7           HH       TRP   7  -8.392   2.920   7.583
   66    H    THR   8           H        THR   8  -1.230  -1.189   6.567
   67    HA   THR   8           HA       THR   8   1.034  -1.723   4.784
   68    HB   THR   8           HB       THR   8   1.331  -3.868   6.063
   69    HG1  THR   8          1HG       THR   8   0.117  -3.216   8.332
   70   HG21  THR   8          1HG2      THR   8   1.472  -1.387   7.798
   71   HG22  THR   8          2HG2      THR   8   2.712  -1.885   6.656
   72   HG23  THR   8          3HG2      THR   8   2.359  -2.886   8.069
   73    H    CYS   9           H        CYS   9   0.547  -4.001   3.483
   74    HA   CYS   9           HA       CYS   9  -2.339  -4.361   3.632
   75    HB2  CYS   9          2HB       CYS   9  -2.480  -4.733   1.247
   76    HB3  CYS   9          1HB       CYS   9  -1.763  -3.162   1.568
   77    H    ASP  10           H        ASP  10  -2.798  -6.488   2.128
   78    HA   ASP  10           HA       ASP  10  -1.131  -8.687   2.958
   79    HB2  ASP  10          2HB       ASP  10  -2.598  -8.205   4.967
   80    HB3  ASP  10          1HB       ASP  10  -3.996  -8.345   3.908
   81    H    SER  11           H        SER  11  -3.019 -10.686   2.311
   82    HA   SER  11           HA       SER  11  -3.224 -10.422  -0.515
   83    HB2  SER  11          2HB       SER  11  -4.469 -12.492   1.310
   84    HB3  SER  11          1HB       SER  11  -4.101 -12.669  -0.407
   85    HG   SER  11           HG       SER  11  -1.853 -12.081   0.430
   86    H    GLU  12           H        GLU  12  -5.285  -9.993   2.250
   87    HA   GLU  12           HA       GLU  12  -7.654  -9.602   0.592
   88    HB2  GLU  12          2HB       GLU  12  -7.371  -9.315   3.573
   89    HB3  GLU  12          1HB       GLU  12  -8.868  -9.354   2.667
   90    HG2  GLU  12          2HG       GLU  12  -8.391 -11.671   1.992
   91    HG3  GLU  12          1HG       GLU  12  -6.923 -11.627   2.966
   92    H    ARG  13           H        ARG  13  -5.805  -7.788   3.015
   93    HA   ARG  13           HA       ARG  13  -7.117  -5.304   2.474
   94    HB2  ARG  13          2HB       ARG  13  -4.470  -5.829   3.862
   95    HB3  ARG  13          1HB       ARG  13  -5.310  -4.292   3.847
   96    HG2  ARG  13          2HG       ARG  13  -7.179  -5.332   5.085
   97    HG3  ARG  13          1HG       ARG  13  -6.270  -6.845   5.132
   98    HD2  ARG  13          2HD       ARG  13  -5.333  -4.216   6.294
   99    HD3  ARG  13          1HD       ARG  13  -6.051  -5.523   7.228
  100    HE   ARG  13           HE       ARG  13  -4.071  -6.868   6.310
  101   HH11  ARG  13          1HH1      ARG  13  -3.920  -3.491   7.351
  102   HH12  ARG  13          2HH1      ARG  13  -2.241  -3.497   7.602
  103   HH21  ARG  13          1HH2      ARG  13  -1.719  -6.879   6.766
  104   HH22  ARG  13          2HH2      ARG  13  -0.995  -5.425   7.268
  105    H    LYS  14           H        LYS  14  -6.800  -4.103   0.667
  106    HA   LYS  14           HA       LYS  14  -4.242  -4.357  -0.760
  107    HB2  LYS  14          2HB       LYS  14  -6.913  -3.317  -1.697
  108    HB3  LYS  14          1HB       LYS  14  -5.441  -3.278  -2.647
  109    HG2  LYS  14          2HG       LYS  14  -5.371  -5.721  -2.610
  110    HG3  LYS  14          1HG       LYS  14  -6.884  -5.739  -1.691
  111    HD2  LYS  14          2HD       LYS  14  -8.023  -4.613  -3.512
  112    HD3  LYS  14          1HD       LYS  14  -6.512  -4.491  -4.410
  113    HE2  LYS  14          2HE       LYS  14  -6.385  -6.935  -4.508
  114    HE3  LYS  14          1HE       LYS  14  -7.914  -7.048  -3.638
  115    HZ1  LYS  14          1HZ       LYS  14  -7.521  -5.770  -6.283
  116    HZ2  LYS  14          2HZ       LYS  14  -8.969  -5.850  -5.463
  117    HZ3  LYS  14          3HZ       LYS  14  -8.249  -7.270  -6.017
  118    H    CYS  15           H        CYS  15  -3.013  -2.560  -1.206
  119    HA   CYS  15           HA       CYS  15  -3.450  -0.178   0.359
  120    HB2  CYS  15          2HB       CYS  15  -1.420  -0.725  -1.820
  121    HB3  CYS  15          1HB       CYS  15  -1.408   0.656  -0.729
  122    H    CYS  16           H        CYS  16  -3.825   1.880  -0.410
  123    HA   CYS  16           HA       CYS  16  -5.734   2.093  -2.447
  124    HB2  CYS  16          2HB       CYS  16  -3.957   4.280  -1.355
  125    HB3  CYS  16          1HB       CYS  16  -5.500   4.502  -2.173
  126    H    LYS  17           H        LYS  17  -5.590   2.810  -4.568
  127    HA   LYS  17           HA       LYS  17  -3.374   2.003  -6.066
  128    HB2  LYS  17          2HB       LYS  17  -5.618   3.862  -6.836
  129    HB3  LYS  17          1HB       LYS  17  -4.496   3.122  -7.969
  130    HG2  LYS  17          2HG       LYS  17  -5.338   0.913  -7.345
  131    HG3  LYS  17          1HG       LYS  17  -6.457   1.665  -6.204
  132    HD2  LYS  17          2HD       LYS  17  -7.510   2.886  -8.068
  133    HD3  LYS  17          1HD       LYS  17  -6.409   2.092  -9.192
  134    HE2  LYS  17          2HE       LYS  17  -7.325  -0.086  -8.557
  135    HE3  LYS  17          1HE       LYS  17  -8.406   0.706  -7.417
  136    HZ1  LYS  17          1HZ       LYS  17  -9.529   1.795  -9.219
  137    HZ2  LYS  17          2HZ       LYS  17  -9.467   0.145  -9.556
  138    HZ3  LYS  17          3HZ       LYS  17  -8.430   1.192 -10.345
  139    H    GLY  18           H        GLY  18  -1.677   3.052  -6.929
  140    HA2  GLY  18          2HA       GLY  18  -0.500   5.117  -7.484
  141    HA3  GLY  18          1HA       GLY  18  -1.282   5.861  -6.085
  142    H    MET  19           H        MET  19  -0.949   3.177  -4.787
  143    HA   MET  19           HA       MET  19   1.894   3.278  -4.126
  144    HB2  MET  19          2HB       MET  19  -0.496   2.765  -2.334
  145    HB3  MET  19          1HB       MET  19   1.154   2.383  -1.864
  146    HG2  MET  19          2HG       MET  19   1.776   4.682  -1.995
  147    HG3  MET  19          1HG       MET  19   0.165   5.149  -2.571
  148    HE1  MET  19          1HE       MET  19  -1.933   4.464   0.668
  149    HE2  MET  19          2HE       MET  19  -1.664   3.340  -0.660
  150    HE3  MET  19          3HE       MET  19  -1.968   5.048  -0.995
  151    H    VAL  20           H        VAL  20   2.660   1.120  -3.415
  152    HA   VAL  20           HA       VAL  20   1.226  -0.907  -4.958
  153    HB   VAL  20           HB       VAL  20   3.368  -2.138  -5.105
  154   HG11  VAL  20          1HG1      VAL  20   3.523   0.695  -6.111
  155   HG12  VAL  20          2HG1      VAL  20   2.723  -0.656  -6.913
  156   HG13  VAL  20          3HG1      VAL  20   4.475  -0.664  -6.710
  157   HG21  VAL  20          1HG2      VAL  20   5.480  -1.014  -4.507
  158   HG22  VAL  20          2HG2      VAL  20   4.469  -1.304  -3.093
  159   HG23  VAL  20          3HG2      VAL  20   4.561   0.311  -3.794
  160    H    CYS  21           H        CYS  21   0.842  -2.889  -4.102
  161    HA   CYS  21           HA       CYS  21   0.593  -2.931  -1.249
  162    HB2  CYS  21          2HB       CYS  21  -1.155  -3.806  -2.846
  163    HB3  CYS  21          1HB       CYS  21  -0.050  -5.109  -3.253
  164    H    ARG  22           H        ARG  22   1.919  -3.864   0.129
  165    HA   ARG  22           HA       ARG  22   3.762  -5.931  -0.508
  166    HB2  ARG  22          2HB       ARG  22   4.824  -3.818  -1.427
  167    HB3  ARG  22          1HB       ARG  22   4.724  -3.114   0.168
  168    HG2  ARG  22          2HG       ARG  22   6.993  -3.881  -0.472
  169    HG3  ARG  22          1HG       ARG  22   6.393  -4.641   1.000
  170    HD2  ARG  22          2HD       ARG  22   7.538  -6.197  -0.569
  171    HD3  ARG  22          1HD       ARG  22   5.889  -6.654  -0.169
  172    HE   ARG  22           HE       ARG  22   6.387  -5.158  -2.621
  173   HH11  ARG  22          1HH1      ARG  22   5.545  -8.227  -1.067
  174   HH12  ARG  22          2HH1      ARG  22   4.940  -8.951  -2.493
  175   HH21  ARG  22          1HH2      ARG  22   5.535  -6.178  -4.577
  176   HH22  ARG  22          2HH2      ARG  22   4.937  -7.773  -4.517
  177    H    LEU  23           H        LEU  23   5.236  -5.961   1.716
  178    HA   LEU  23           HA       LEU  23   3.810  -6.565   3.936
  179    HB2  LEU  23          2HB       LEU  23   6.515  -5.238   3.821
  180    HB3  LEU  23          1HB       LEU  23   5.852  -5.978   5.263
  181    HG   LEU  23           HG       LEU  23   6.503  -7.438   2.697
  182   HD11  LEU  23          1HD1      LEU  23   7.965  -7.344   5.332
  183   HD12  LEU  23          2HD1      LEU  23   8.510  -6.620   3.819
  184   HD13  LEU  23          3HD1      LEU  23   8.374  -8.374   3.961
  185   HD21  LEU  23          1HD2      LEU  23   4.699  -8.505   3.951
  186   HD22  LEU  23          2HD2      LEU  23   5.673  -8.441   5.419
  187   HD23  LEU  23          3HD2      LEU  23   6.181  -9.452   4.070
  188    H    TRP  24           H        TRP  24   4.742  -3.365   2.855
  189    HA   TRP  24           HA       TRP  24   2.789  -2.299   4.657
  190    HB2  TRP  24          2HB       TRP  24   4.178  -0.470   5.352
  191    HB3  TRP  24          1HB       TRP  24   5.169  -1.904   5.554
  192    HD1  TRP  24           HD       TRP  24   4.953   1.314   3.798
  193    HE1  TRP  24          1HE       TRP  24   7.093   1.724   2.346
  194    HE3  TRP  24          3HE       TRP  24   7.004  -3.299   4.127
  195    HZ2  TRP  24          2HZ       TRP  24   9.325   0.233   1.492
  196    HZ3  TRP  24          3HZ       TRP  24   9.132  -3.761   2.969
  197    HH2  TRP  24           HH       TRP  24  10.257  -2.019   1.678
  198    H    CYS  25           H        CYS  25   2.045  -0.095   3.668
  199    HA   CYS  25           HA       CYS  25   1.945  -0.428   0.818
  200    HB2  CYS  25          2HB       CYS  25   0.697   1.635   2.632
  201    HB3  CYS  25          1HB       CYS  25   0.425   1.546   0.891
  202    H    LYS  26           H        LYS  26   3.227   0.456  -0.580
  203    HA   LYS  26           HA       LYS  26   4.960   2.656   0.316
  204    HB2  LYS  26          2HB       LYS  26   6.204   0.571   0.174
  205    HB3  LYS  26          1HB       LYS  26   5.617   0.304  -1.460
  206    HG2  LYS  26          2HG       LYS  26   6.852   2.138  -2.288
  207    HG3  LYS  26          1HG       LYS  26   7.283   2.663  -0.670
  208    HD2  LYS  26          2HD       LYS  26   9.212   1.548  -1.599
  209    HD3  LYS  26          1HD       LYS  26   8.508   0.447  -0.422
  210    HE2  LYS  26          2HE       LYS  26   9.113  -0.804  -2.385
  211    HE3  LYS  26          1HE       LYS  26   7.357  -0.732  -2.288
  212    HZ1  LYS  26          1HZ       LYS  26   8.195  -0.326  -4.542
  213    HZ2  LYS  26          2HZ       LYS  26   9.048   1.016  -3.988
  214    HZ3  LYS  26          3HZ       LYS  26   7.389   1.041  -3.975
  215    H    LYS  27           H        LYS  27   5.015   4.414  -0.985
  216    HA   LYS  27           HA       LYS  27   3.222   4.751  -3.120
  217    HB2  LYS  27          2HB       LYS  27   4.443   6.821  -3.608
  218    HB3  LYS  27          1HB       LYS  27   4.045   6.665  -1.908
  219    HG2  LYS  27          2HG       LYS  27   6.365   5.956  -1.460
  220    HG3  LYS  27          1HG       LYS  27   6.737   6.166  -3.171
  221    HD2  LYS  27          2HD       LYS  27   6.102   8.544  -2.987
  222    HD3  LYS  27          1HD       LYS  27   5.811   8.313  -1.267
  223    HE2  LYS  27          2HE       LYS  27   8.148   7.664  -0.954
  224    HE3  LYS  27          1HE       LYS  27   8.442   7.893  -2.671
  225    HZ1  LYS  27          1HZ       LYS  27   9.158   9.816  -1.410
  226    HZ2  LYS  27          2HZ       LYS  27   7.638  10.028  -0.758
  227    HZ3  LYS  27          3HZ       LYS  27   7.875  10.231  -2.420
  228    H    LYS  28           H        LYS  28   3.343   4.735  -5.235
  229    HA   LYS  28           HA       LYS  28   5.236   2.847  -6.237
  230    HB2  LYS  28          2HB       LYS  28   2.847   2.743  -6.845
  231    HB3  LYS  28          1HB       LYS  28   2.992   4.294  -7.644
  232    HG2  LYS  28          2HG       LYS  28   4.411   3.374  -9.327
  233    HG3  LYS  28          1HG       LYS  28   4.536   1.844  -8.454
  234    HD2  LYS  28          2HD       LYS  28   2.148   1.470  -8.740
  235    HD3  LYS  28          1HD       LYS  28   1.998   3.014  -9.571
  236    HE2  LYS  28          2HE       LYS  28   2.048   1.101 -11.118
  237    HE3  LYS  28          1HE       LYS  28   3.379   2.219 -11.387
  238    HZ1  LYS  28          1HZ       LYS  28   4.867   0.703 -10.289
  239    HZ2  LYS  28          2HZ       LYS  28   4.020  -0.120 -11.483
  240    HZ3  LYS  28          3HZ       LYS  28   3.588  -0.335  -9.879
  241    H    LEU  29           H        LEU  29   7.144   3.680  -6.362
  242    HA   LEU  29           HA       LEU  29   7.696   6.269  -7.532
  243    HB2  LEU  29          2HB       LEU  29   8.939   5.363  -5.581
  244    HB3  LEU  29          1HB       LEU  29   9.534   4.063  -6.586
  245    HG   LEU  29           HG       LEU  29  10.747   5.749  -7.958
  246   HD11  LEU  29          1HD1      LEU  29   9.354   7.685  -7.491
  247   HD12  LEU  29          2HD1      LEU  29  11.033   8.005  -7.054
  248   HD13  LEU  29          3HD1      LEU  29   9.846   7.651  -5.797
  249   HD21  LEU  29          1HD2      LEU  29  11.879   4.531  -6.185
  250   HD22  LEU  29          2HD2      LEU  29  11.352   5.732  -5.007
  251   HD23  LEU  29          3HD2      LEU  29  12.484   6.185  -6.280
  252    H    TRP  30           H        TRP  30   7.605   2.946  -8.368
  253    HA   TRP  30           HA       TRP  30   8.486   3.559 -11.083
  254    HB2  TRP  30          2HB       TRP  30  10.092   2.101  -9.754
  255    HB3  TRP  30          1HB       TRP  30   8.810   0.902  -9.661
  256    HD1  TRP  30           HD       TRP  30  11.424   2.331 -11.978
  257    HE1  TRP  30          1HE       TRP  30  11.584   0.873 -14.107
  258    HE3  TRP  30          3HE       TRP  30   7.319  -0.607 -11.266
  259    HZ2  TRP  30          2HZ       TRP  30  10.152  -1.224 -15.314
  260    HZ3  TRP  30          3HZ       TRP  30   6.778  -2.321 -12.955
  261    HH2  TRP  30           HH       TRP  30   8.164  -2.613 -14.933
  Start of MODEL    2
    1    H1   TYR   1          1HT       TYR   1 -12.940  -1.247   3.717
    2    H2   TYR   1          2HT       TYR   1 -12.183  -1.824   2.317
    3    H3   TYR   1          3HT       TYR   1 -12.778  -0.259   2.359
    4    HA   TYR   1           HA       TYR   1 -11.186   0.376   4.013
    5    HB2  TYR   1          2HB       TYR   1 -10.154  -2.444   3.573
    6    HB3  TYR   1          1HB       TYR   1  -9.286  -1.185   4.421
    7    HD1  TYR   1          1HD       TYR   1 -12.374  -3.298   4.564
    8    HD2  TYR   1          2HD       TYR   1  -9.556  -0.947   6.724
    9    HE1  TYR   1          1HE       TYR   1 -13.278  -4.147   6.653
   10    HE2  TYR   1          2HE       TYR   1 -10.470  -1.783   8.825
   11    HH   TYR   1           HH       TYR   1 -12.398  -2.825   9.715
   12    H    CYS   2           H        CYS   2  -9.134   1.150   3.277
   13    HA   CYS   2           HA       CYS   2  -7.990   0.108   0.872
   14    HB2  CYS   2          2HB       CYS   2  -9.579   2.056   0.210
   15    HB3  CYS   2          1HB       CYS   2  -8.453   3.036   1.182
   16    H    GLN   3           H        GLN   3  -5.932   0.320   1.082
   17    HA   GLN   3           HA       GLN   3  -5.157   1.079   3.762
   18    HB2  GLN   3          2HB       GLN   3  -3.352  -0.381   1.814
   19    HB3  GLN   3          1HB       GLN   3  -3.082  -0.095   3.505
   20    HG2  GLN   3          2HG       GLN   3  -5.324  -1.764   2.418
   21    HG3  GLN   3          1HG       GLN   3  -3.810  -2.375   3.081
   22   HE21  GLN   3          1HE2      GLN   3  -3.426  -2.179   5.301
   23   HE22  GLN   3          2HE2      GLN   3  -4.738  -1.949   6.398
   24    H    LYS   4           H        LYS   4  -3.969   2.654   4.329
   25    HA   LYS   4           HA       LYS   4  -3.179   4.634   2.363
   26    HB2  LYS   4          2HB       LYS   4  -3.072   4.647   5.376
   27    HB3  LYS   4          1HB       LYS   4  -2.756   6.030   4.338
   28    HG2  LYS   4          2HG       LYS   4  -5.339   4.538   4.463
   29    HG3  LYS   4          1HG       LYS   4  -5.027   5.996   5.416
   30    HD2  LYS   4          2HD       LYS   4  -4.991   5.809   2.387
   31    HD3  LYS   4          1HD       LYS   4  -6.337   6.415   3.343
   32    HE2  LYS   4          2HE       LYS   4  -3.566   7.597   3.293
   33    HE3  LYS   4          1HE       LYS   4  -4.949   8.223   2.406
   34    HZ1  LYS   4          1HZ       LYS   4  -4.611   9.451   4.457
   35    HZ2  LYS   4          2HZ       LYS   4  -4.679   8.046   5.356
   36    HZ3  LYS   4          3HZ       LYS   4  -6.060   8.581   4.568
   37    H    TRP   5           H        TRP   5  -1.056   5.722   2.875
   38    HA   TRP   5           HA       TRP   5   1.019   3.753   2.576
   39    HB2  TRP   5          2HB       TRP   5   2.532   5.519   2.110
   40    HB3  TRP   5          1HB       TRP   5   0.995   6.062   1.455
   41    HD1  TRP   5           HD       TRP   5  -0.353   7.905   3.165
   42    HE1  TRP   5          1HE       TRP   5   0.678   9.812   4.548
   43    HE3  TRP   5          3HE       TRP   5   4.491   6.281   3.323
   44    HZ2  TRP   5          2HZ       TRP   5   3.219  10.531   5.570
   45    HZ3  TRP   5          3HZ       TRP   5   6.147   7.637   4.533
   46    HH2  TRP   5           HH       TRP   5   5.514   9.716   5.626
   47    H    MET   6           H        MET   6  -0.404   5.178   5.195
   48    HA   MET   6           HA       MET   6   1.895   5.001   6.925
   49    HB2  MET   6          2HB       MET   6   0.409   5.785   8.704
   50    HB3  MET   6          1HB       MET   6   0.284   6.817   7.288
   51    HG2  MET   6          2HG       MET   6  -1.779   5.667   6.647
   52    HG3  MET   6          1HG       MET   6  -1.660   4.660   8.083
   53    HE1  MET   6          1HE       MET   6  -0.623   6.858  10.236
   54    HE2  MET   6          2HE       MET   6  -1.818   5.600  10.540
   55    HE3  MET   6          3HE       MET   6  -2.181   7.279  10.950
   56    H    TRP   7           H        TRP   7  -0.266   2.831   5.642
   57    HA   TRP   7           HA       TRP   7  -0.123   1.067   7.986
   58    HB2  TRP   7          2HB       TRP   7  -2.211   1.047   5.788
   59    HB3  TRP   7          1HB       TRP   7  -2.138  -0.072   7.135
   60    HD1  TRP   7           HD       TRP   7  -1.549   2.471   9.257
   61    HE1  TRP   7          1HE       TRP   7  -3.615   3.847   9.963
   62    HE3  TRP   7          3HE       TRP   7  -4.703   1.103   5.555
   63    HZ2  TRP   7          2HZ       TRP   7  -6.254   4.281   9.043
   64    HZ3  TRP   7          3HZ       TRP   7  -6.990   2.024   5.509
   65    HH2  TRP   7           HH       TRP   7  -7.743   3.574   7.228
   66    H    THR   8           H        THR   8  -0.677  -1.285   6.935
   67    HA   THR   8           HA       THR   8   1.332  -1.718   4.857
   68    HB   THR   8           HB       THR   8   1.740  -3.901   6.033
   69    HG1  THR   8          1HG       THR   8   0.314  -4.489   7.434
   70   HG21  THR   8          1HG2      THR   8   2.929  -3.010   7.984
   71   HG22  THR   8          2HG2      THR   8   2.026  -1.502   7.853
   72   HG23  THR   8          3HG2      THR   8   3.169  -1.953   6.592
   73    H    CYS   9           H        CYS   9   0.683  -3.843   3.455
   74    HA   CYS   9           HA       CYS   9  -2.137  -4.273   3.934
   75    HB2  CYS   9          2HB       CYS   9  -2.410  -4.707   1.447
   76    HB3  CYS   9          1HB       CYS   9  -2.235  -3.031   1.901
   77    H    ASP  10           H        ASP  10  -2.929  -6.192   3.863
   78    HA   ASP  10           HA       ASP  10  -1.075  -8.416   3.838
   79    HB2  ASP  10          2HB       ASP  10  -4.022  -8.246   4.588
   80    HB3  ASP  10          1HB       ASP  10  -3.000  -9.661   4.791
   81    H    SER  11           H        SER  11  -2.748 -10.443   2.936
   82    HA   SER  11           HA       SER  11  -2.417 -10.151   0.171
   83    HB2  SER  11          2HB       SER  11  -4.121 -12.201   1.576
   84    HB3  SER  11          1HB       SER  11  -3.292 -12.350   0.030
   85    HG   SER  11           HG       SER  11  -2.401 -13.106   2.266
   86    H    GLU  12           H        GLU  12  -5.344 -10.106   2.214
   87    HA   GLU  12           HA       GLU  12  -6.939  -9.485  -0.132
   88    HB2  GLU  12          2HB       GLU  12  -7.721 -10.046   2.712
   89    HB3  GLU  12          1HB       GLU  12  -8.870  -9.637   1.444
   90    HG2  GLU  12          2HG       GLU  12  -7.018 -11.987   1.459
   91    HG3  GLU  12          1HG       GLU  12  -8.741 -12.040   1.849
   92    H    ARG  13           H        ARG  13  -5.141  -7.728   1.896
   93    HA   ARG  13           HA       ARG  13  -7.046  -5.550   2.091
   94    HB2  ARG  13          2HB       ARG  13  -4.171  -5.671   2.916
   95    HB3  ARG  13          1HB       ARG  13  -5.126  -4.206   3.013
   96    HG2  ARG  13          2HG       ARG  13  -5.489  -6.753   4.560
   97    HG3  ARG  13          1HG       ARG  13  -5.006  -5.171   5.183
   98    HD2  ARG  13          2HD       ARG  13  -7.225  -5.188   5.773
   99    HD3  ARG  13          1HD       ARG  13  -7.347  -4.471   4.169
  100    HE   ARG  13           HE       ARG  13  -7.484  -7.317   4.194
  101   HH11  ARG  13          1HH1      ARG  13  -9.394  -4.375   4.331
  102   HH12  ARG  13          2HH1      ARG  13 -10.892  -5.164   4.065
  103   HH21  ARG  13          1HH2      ARG  13  -9.543  -8.421   3.867
  104   HH22  ARG  13          2HH2      ARG  13 -10.969  -7.507   3.784
  105    H    LYS  14           H        LYS  14  -7.374  -4.291   0.599
  106    HA   LYS  14           HA       LYS  14  -5.538  -4.115  -1.636
  107    HB2  LYS  14          2HB       LYS  14  -8.351  -3.051  -1.317
  108    HB3  LYS  14          1HB       LYS  14  -7.406  -2.986  -2.800
  109    HG2  LYS  14          2HG       LYS  14  -7.367  -5.410  -2.926
  110    HG3  LYS  14          1HG       LYS  14  -8.222  -5.528  -1.395
  111    HD2  LYS  14          2HD       LYS  14  -9.763  -5.911  -3.199
  112    HD3  LYS  14          1HD       LYS  14 -10.156  -4.370  -2.440
  113    HE2  LYS  14          2HE       LYS  14  -9.028  -3.181  -4.241
  114    HE3  LYS  14          1HE       LYS  14  -8.551  -4.711  -4.974
  115    HZ1  LYS  14          1HZ       LYS  14 -10.871  -5.238  -5.306
  116    HZ2  LYS  14          2HZ       LYS  14 -10.491  -3.787  -6.066
  117    HZ3  LYS  14          3HZ       LYS  14 -11.351  -3.777  -4.609
  118    H    CYS  15           H        CYS  15  -4.056  -2.722  -1.484
  119    HA   CYS  15           HA       CYS  15  -4.249  -0.392   0.183
  120    HB2  CYS  15          2HB       CYS  15  -2.164  -1.835  -0.119
  121    HB3  CYS  15          1HB       CYS  15  -2.034  -1.164  -1.736
  122    H    CYS  16           H        CYS  16  -3.955   1.799  -0.641
  123    HA   CYS  16           HA       CYS  16  -5.786   2.226  -2.700
  124    HB2  CYS  16          2HB       CYS  16  -3.956   4.138  -1.266
  125    HB3  CYS  16          1HB       CYS  16  -5.202   4.644  -2.408
  126    H    LYS  17           H        LYS  17  -5.614   3.247  -4.701
  127    HA   LYS  17           HA       LYS  17  -3.554   2.090  -6.238
  128    HB2  LYS  17          2HB       LYS  17  -5.863   2.351  -7.053
  129    HB3  LYS  17          1HB       LYS  17  -5.661   4.094  -7.063
  130    HG2  LYS  17          2HG       LYS  17  -3.997   3.936  -8.804
  131    HG3  LYS  17          1HG       LYS  17  -4.037   2.174  -8.720
  132    HD2  LYS  17          2HD       LYS  17  -6.415   2.235  -9.363
  133    HD3  LYS  17          1HD       LYS  17  -6.297   3.983  -9.546
  134    HE2  LYS  17          2HE       LYS  17  -4.703   3.752 -11.320
  135    HE3  LYS  17          1HE       LYS  17  -4.586   2.014 -11.051
  136    HZ1  LYS  17          1HZ       LYS  17  -6.892   1.799 -11.703
  137    HZ2  LYS  17          2HZ       LYS  17  -5.979   2.528 -12.934
  138    HZ3  LYS  17          3HZ       LYS  17  -7.004   3.461 -11.966
  139    H    GLY  18           H        GLY  18  -1.746   2.877  -6.960
  140    HA2  GLY  18          2HA       GLY  18  -0.364   4.749  -7.690
  141    HA3  GLY  18          1HA       GLY  18  -1.125   5.715  -6.422
  142    H    MET  19           H        MET  19  -1.051   3.151  -4.797
  143    HA   MET  19           HA       MET  19   1.678   3.447  -3.783
  144    HB2  MET  19          2HB       MET  19  -0.826   2.276  -2.540
  145    HB3  MET  19          1HB       MET  19   0.754   2.296  -1.771
  146    HG2  MET  19          2HG       MET  19   0.761   4.600  -1.625
  147    HG3  MET  19          1HG       MET  19  -0.703   4.790  -2.617
  148    HE1  MET  19          1HE       MET  19  -2.035   6.241  -0.957
  149    HE2  MET  19          2HE       MET  19  -0.528   6.384  -0.056
  150    HE3  MET  19          3HE       MET  19  -2.029   6.001   0.791
  151    H    VAL  20           H        VAL  20   2.702   1.449  -3.161
  152    HA   VAL  20           HA       VAL  20   1.872  -0.748  -4.906
  153    HB   VAL  20           HB       VAL  20   4.619  -0.161  -3.717
  154   HG11  VAL  20          1HG1      VAL  20   3.756  -2.451  -5.499
  155   HG12  VAL  20          2HG1      VAL  20   4.204  -2.586  -3.799
  156   HG13  VAL  20          3HG1      VAL  20   5.410  -2.108  -4.995
  157   HG21  VAL  20          1HG2      VAL  20   5.312   0.157  -6.025
  158   HG22  VAL  20          2HG2      VAL  20   3.962   1.238  -5.645
  159   HG23  VAL  20          3HG2      VAL  20   3.684  -0.223  -6.579
  160    H    CYS  21           H        CYS  21   1.030  -2.408  -3.994
  161    HA   CYS  21           HA       CYS  21   0.829  -2.546  -1.149
  162    HB2  CYS  21          2HB       CYS  21  -1.045  -3.160  -2.731
  163    HB3  CYS  21          1HB       CYS  21  -0.111  -4.579  -3.187
  164    H    ARG  22           H        ARG  22   1.966  -3.789   0.163
  165    HA   ARG  22           HA       ARG  22   3.534  -5.995  -0.709
  166    HB2  ARG  22          2HB       ARG  22   4.764  -3.692  -1.192
  167    HB3  ARG  22          1HB       ARG  22   4.947  -3.635   0.545
  168    HG2  ARG  22          2HG       ARG  22   6.978  -4.454  -0.271
  169    HG3  ARG  22          1HG       ARG  22   6.149  -5.883   0.331
  170    HD2  ARG  22          2HD       ARG  22   6.155  -5.001  -2.555
  171    HD3  ARG  22          1HD       ARG  22   7.279  -6.178  -1.893
  172    HE   ARG  22           HE       ARG  22   4.673  -7.016  -1.348
  173   HH11  ARG  22          1HH1      ARG  22   6.826  -6.628  -4.115
  174   HH12  ARG  22          2HH1      ARG  22   6.100  -7.871  -5.022
  175   HH21  ARG  22          1HH2      ARG  22   3.647  -8.684  -2.589
  176   HH22  ARG  22          2HH2      ARG  22   4.253  -9.073  -4.127
  177    H    LEU  23           H        LEU  23   4.957  -6.351   1.553
  178    HA   LEU  23           HA       LEU  23   3.333  -6.888   3.684
  179    HB2  LEU  23          2HB       LEU  23   6.237  -6.051   3.817
  180    HB3  LEU  23          1HB       LEU  23   5.366  -6.875   5.093
  181    HG   LEU  23           HG       LEU  23   5.994  -8.021   2.371
  182   HD11  LEU  23          1HD1      LEU  23   7.968  -7.799   3.749
  183   HD12  LEU  23          2HD1      LEU  23   7.508  -9.490   3.560
  184   HD13  LEU  23          3HD1      LEU  23   7.155  -8.645   5.066
  185   HD21  LEU  23          1HD2      LEU  23   3.897  -8.911   3.248
  186   HD22  LEU  23          2HD2      LEU  23   4.689  -9.283   4.780
  187   HD23  LEU  23          3HD2      LEU  23   5.167 -10.131   3.311
  188    H    TRP  24           H        TRP  24   4.602  -3.837   2.715
  189    HA   TRP  24           HA       TRP  24   2.992  -2.561   4.735
  190    HB2  TRP  24          2HB       TRP  24   4.657  -0.868   5.165
  191    HB3  TRP  24          1HB       TRP  24   5.486  -2.408   5.302
  192    HD1  TRP  24           HD       TRP  24   5.464   0.793   3.436
  193    HE1  TRP  24          1HE       TRP  24   7.414   0.889   1.752
  194    HE3  TRP  24          3HE       TRP  24   6.942  -4.065   3.693
  195    HZ2  TRP  24          2HZ       TRP  24   9.328  -0.909   0.656
  196    HZ3  TRP  24          3HZ       TRP  24   8.832  -4.814   2.292
  197    HH2  TRP  24           HH       TRP  24   9.994  -3.259   0.812
  198    H    CYS  25           H        CYS  25   2.214  -0.363   3.814
  199    HA   CYS  25           HA       CYS  25   2.077  -0.523   0.934
  200    HB2  CYS  25          2HB       CYS  25   0.686   1.201   2.957
  201    HB3  CYS  25          1HB       CYS  25   0.677   1.636   1.253
  202    H    LYS  26           H        LYS  26   3.116   0.681  -0.446
  203    HA   LYS  26           HA       LYS  26   5.053   2.597   0.640
  204    HB2  LYS  26          2HB       LYS  26   6.067   0.540  -0.260
  205    HB3  LYS  26          1HB       LYS  26   5.220   0.782  -1.776
  206    HG2  LYS  26          2HG       LYS  26   6.497   2.829  -2.161
  207    HG3  LYS  26          1HG       LYS  26   7.342   2.580  -0.632
  208    HD2  LYS  26          2HD       LYS  26   8.238   0.468  -1.458
  209    HD3  LYS  26          1HD       LYS  26   7.373   0.686  -2.979
  210    HE2  LYS  26          2HE       LYS  26   9.698   1.326  -3.243
  211    HE3  LYS  26          1HE       LYS  26   8.653   2.732  -3.398
  212    HZ1  LYS  26          1HZ       LYS  26   9.213   3.373  -1.133
  213    HZ2  LYS  26          2HZ       LYS  26  10.625   3.185  -2.021
  214    HZ3  LYS  26          3HZ       LYS  26  10.149   1.995  -0.947
  215    H    LYS  27           H        LYS  27   4.735   4.622  -0.063
  216    HA   LYS  27           HA       LYS  27   2.634   5.081  -2.010
  217    HB2  LYS  27          2HB       LYS  27   2.704   7.380  -1.356
  218    HB3  LYS  27          1HB       LYS  27   2.869   6.447   0.119
  219    HG2  LYS  27          2HG       LYS  27   5.277   6.865   0.100
  220    HG3  LYS  27          1HG       LYS  27   5.097   7.801  -1.386
  221    HD2  LYS  27          2HD       LYS  27   3.471   9.255  -0.106
  222    HD3  LYS  27          1HD       LYS  27   4.015   8.422   1.352
  223    HE2  LYS  27          2HE       LYS  27   5.696  10.039  -0.551
  224    HE3  LYS  27          1HE       LYS  27   5.238  10.486   1.088
  225    HZ1  LYS  27          1HZ       LYS  27   6.571   8.598   1.902
  226    HZ2  LYS  27          2HZ       LYS  27   7.490   9.670   0.981
  227    HZ3  LYS  27          3HZ       LYS  27   7.008   8.227   0.319
  228    H    LYS  28           H        LYS  28   3.101   6.855  -3.667
  229    HA   LYS  28           HA       LYS  28   5.251   5.939  -5.253
  230    HB2  LYS  28          2HB       LYS  28   4.604   7.630  -6.876
  231    HB3  LYS  28          1HB       LYS  28   3.206   6.763  -6.279
  232    HG2  LYS  28          2HG       LYS  28   2.861   8.724  -4.708
  233    HG3  LYS  28          1HG       LYS  28   4.052   9.574  -5.702
  234    HD2  LYS  28          2HD       LYS  28   2.676   9.004  -7.699
  235    HD3  LYS  28          1HD       LYS  28   1.456   8.364  -6.610
  236    HE2  LYS  28          2HE       LYS  28   0.764  10.552  -7.117
  237    HE3  LYS  28          1HE       LYS  28   1.449  10.567  -5.484
  238    HZ1  LYS  28          1HZ       LYS  28   2.928  11.414  -7.915
  239    HZ2  LYS  28          2HZ       LYS  28   3.457  11.588  -6.312
  240    HZ3  LYS  28          3HZ       LYS  28   2.144  12.470  -6.871
  241    H    LEU  29           H        LEU  29   6.997   7.263  -6.110
  242    HA   LEU  29           HA       LEU  29   8.714   7.964  -4.059
  243    HB2  LEU  29          2HB       LEU  29   9.415   7.206  -6.294
  244    HB3  LEU  29          1HB       LEU  29   8.902   8.733  -6.968
  245    HG   LEU  29           HG       LEU  29  10.656   9.894  -5.681
  246   HD11  LEU  29          1HD1      LEU  29  12.396   8.592  -4.554
  247   HD12  LEU  29          2HD1      LEU  29  11.471   7.116  -4.832
  248   HD13  LEU  29          3HD1      LEU  29  10.826   8.378  -3.784
  249   HD21  LEU  29          1HD2      LEU  29  11.108   9.135  -7.956
  250   HD22  LEU  29          2HD2      LEU  29  11.652   7.580  -7.336
  251   HD23  LEU  29          3HD2      LEU  29  12.560   9.043  -6.960
  252    H    TRP  30           H        TRP  30   6.879  10.107  -6.195
  253    HA   TRP  30           HA       TRP  30   6.864  12.095  -4.139
  254    HB2  TRP  30          2HB       TRP  30   8.958  12.628  -5.328
  255    HB3  TRP  30          1HB       TRP  30   8.089  12.701  -6.850
  256    HD1  TRP  30           HD       TRP  30   7.554  15.092  -7.577
  257    HE1  TRP  30          1HE       TRP  30   7.249  17.374  -6.399
  258    HE3  TRP  30          3HE       TRP  30   8.000  13.580  -2.719
  259    HZ2  TRP  30          2HZ       TRP  30   7.178  18.377  -3.775
  260    HZ3  TRP  30          3HZ       TRP  30   7.794  15.262  -0.934
  261    HH2  TRP  30           HH       TRP  30   7.392  17.608  -1.454
  Start of MODEL    3
    1    H1   TYR   1          1HT       TYR   1 -10.795   1.494   3.607
    2    H2   TYR   1          2HT       TYR   1 -11.528   0.018   3.305
    3    H3   TYR   1          3HT       TYR   1 -12.474   1.385   3.526
    4    HA   TYR   1           HA       TYR   1 -12.393   0.760   1.236
    5    HB2  TYR   1          2HB       TYR   1 -12.550   3.196   1.951
    6    HB3  TYR   1          1HB       TYR   1 -10.815   3.311   1.713
    7    HD1  TYR   1          1HD       TYR   1  -9.868   3.293  -0.569
    8    HD2  TYR   1          2HD       TYR   1 -14.072   3.135   0.075
    9    HE1  TYR   1          1HE       TYR   1 -10.239   3.881  -2.907
   10    HE2  TYR   1          2HE       TYR   1 -14.459   3.719  -2.261
   11    HH   TYR   1           HH       TYR   1 -13.257   4.859  -4.082
   12    H    CYS   2           H        CYS   2  -9.153   2.032   2.168
   13    HA   CYS   2           HA       CYS   2  -7.907  -0.227   0.991
   14    HB2  CYS   2          2HB       CYS   2  -6.522   1.119  -0.598
   15    HB3  CYS   2          1HB       CYS   2  -8.217   1.026  -1.053
   16    H    GLN   3           H        GLN   3  -5.584  -0.128   1.336
   17    HA   GLN   3           HA       GLN   3  -5.044   1.045   3.901
   18    HB2  GLN   3          2HB       GLN   3  -3.152  -0.509   2.126
   19    HB3  GLN   3          1HB       GLN   3  -3.019  -0.227   3.844
   20    HG2  GLN   3          2HG       GLN   3  -5.140  -1.877   2.511
   21    HG3  GLN   3          1HG       GLN   3  -3.739  -2.509   3.364
   22   HE21  GLN   3          1HE2      GLN   3  -3.654  -2.248   5.597
   23   HE22  GLN   3          2HE2      GLN   3  -5.075  -1.937   6.543
   24    H    LYS   4           H        LYS   4  -3.942   2.806   4.250
   25    HA   LYS   4           HA       LYS   4  -3.131   4.489   2.048
   26    HB2  LYS   4          2HB       LYS   4  -2.959   5.000   5.021
   27    HB3  LYS   4          1HB       LYS   4  -2.832   6.192   3.735
   28    HG2  LYS   4          2HG       LYS   4  -5.161   5.823   3.137
   29    HG3  LYS   4          1HG       LYS   4  -5.289   4.585   4.388
   30    HD2  LYS   4          2HD       LYS   4  -4.746   6.277   6.091
   31    HD3  LYS   4          1HD       LYS   4  -4.682   7.508   4.829
   32    HE2  LYS   4          2HE       LYS   4  -7.096   5.852   5.569
   33    HE3  LYS   4          1HE       LYS   4  -6.825   7.532   6.017
   34    HZ1  LYS   4          1HZ       LYS   4  -7.163   6.510   3.235
   35    HZ2  LYS   4          2HZ       LYS   4  -6.855   8.102   3.643
   36    HZ3  LYS   4          3HZ       LYS   4  -8.281   7.378   4.125
   37    H    TRP   5           H        TRP   5  -0.973   5.816   2.675
   38    HA   TRP   5           HA       TRP   5   1.091   3.957   2.174
   39    HB2  TRP   5          2HB       TRP   5   2.614   5.873   2.118
   40    HB3  TRP   5          1HB       TRP   5   1.145   6.219   1.221
   41    HD1  TRP   5           HD       TRP   5   3.074   7.263   4.348
   42    HE1  TRP   5          1HE       TRP   5   2.111   9.472   5.235
   43    HE3  TRP   5          3HE       TRP   5  -1.022   7.678   1.300
   44    HZ2  TRP   5          2HZ       TRP   5  -0.061  11.141   4.739
   45    HZ3  TRP   5          3HZ       TRP   5  -2.487   9.624   1.581
   46    HH2  TRP   5           HH       TRP   5  -2.012  11.327   3.265
   47    H    MET   6           H        MET   6  -0.021   5.385   5.126
   48    HA   MET   6           HA       MET   6   2.369   4.556   6.561
   49    HB2  MET   6          2HB       MET   6   1.234   6.715   7.115
   50    HB3  MET   6          1HB       MET   6  -0.188   5.812   7.596
   51    HG2  MET   6          2HG       MET   6   0.973   4.780   9.393
   52    HG3  MET   6          1HG       MET   6   2.492   5.461   8.821
   53    HE1  MET   6          1HE       MET   6  -0.990   6.182  10.469
   54    HE2  MET   6          2HE       MET   6  -1.041   7.258   9.069
   55    HE3  MET   6          3HE       MET   6  -0.949   7.928  10.698
   56    H    TRP   7           H        TRP   7  -0.212   3.124   5.416
   57    HA   TRP   7           HA       TRP   7  -0.735   1.313   7.656
   58    HB2  TRP   7          2HB       TRP   7  -2.180   1.630   5.000
   59    HB3  TRP   7          1HB       TRP   7  -2.594   0.437   6.210
   60    HD1  TRP   7           HD       TRP   7  -1.820   4.043   7.282
   61    HE1  TRP   7          1HE       TRP   7  -3.988   5.125   8.149
   62    HE3  TRP   7          3HE       TRP   7  -5.144   0.386   5.988
   63    HZ2  TRP   7          2HZ       TRP   7  -6.734   4.527   8.246
   64    HZ3  TRP   7          3HZ       TRP   7  -7.515   0.727   6.489
   65    HH2  TRP   7           HH       TRP   7  -8.295   2.757   7.596
   66    H    THR   8           H        THR   8  -1.301  -1.007   6.512
   67    HA   THR   8           HA       THR   8   1.030  -1.686   4.917
   68    HB   THR   8           HB       THR   8   1.229  -3.794   6.349
   69    HG1  THR   8          1HG       THR   8  -0.440  -2.296   8.098
   70   HG21  THR   8          1HG2      THR   8   1.571  -1.169   7.806
   71   HG22  THR   8          2HG2      THR   8   2.778  -1.907   6.761
   72   HG23  THR   8          3HG2      THR   8   2.317  -2.690   8.274
   73    H    CYS   9           H        CYS   9   0.569  -3.830   3.522
   74    HA   CYS   9           HA       CYS   9  -2.274  -4.340   3.697
   75    HB2  CYS   9          2HB       CYS   9  -2.422  -4.458   1.229
   76    HB3  CYS   9          1HB       CYS   9  -2.040  -2.853   1.833
   77    H    ASP  10           H        ASP  10  -2.761  -6.248   2.060
   78    HA   ASP  10           HA       ASP  10  -0.873  -8.422   2.359
   79    HB2  ASP  10          2HB       ASP  10  -3.622  -8.390   3.657
   80    HB3  ASP  10          1HB       ASP  10  -2.726  -9.857   3.325
   81    H    SER  11           H        SER  11  -2.570 -10.440   1.575
   82    HA   SER  11           HA       SER  11  -3.299  -9.611  -1.042
   83    HB2  SER  11          2HB       SER  11  -2.483 -11.953  -0.444
   84    HB3  SER  11          1HB       SER  11  -4.048 -12.223   0.320
   85    HG   SER  11           HG       SER  11  -5.011 -11.743  -1.740
   86    H    GLU  12           H        GLU  12  -4.908 -10.293   1.990
   87    HA   GLU  12           HA       GLU  12  -7.555  -9.899   1.019
   88    HB2  GLU  12          2HB       GLU  12  -6.472  -9.736   3.820
   89    HB3  GLU  12          1HB       GLU  12  -8.174  -9.724   3.405
   90    HG2  GLU  12          2HG       GLU  12  -7.916 -11.959   2.425
   91    HG3  GLU  12          1HG       GLU  12  -6.234 -11.971   2.952
   92    H    ARG  13           H        ARG  13  -5.462  -7.884   3.064
   93    HA   ARG  13           HA       ARG  13  -7.225  -5.632   2.828
   94    HB2  ARG  13          2HB       ARG  13  -4.435  -5.816   3.972
   95    HB3  ARG  13          1HB       ARG  13  -5.462  -4.395   4.067
   96    HG2  ARG  13          2HG       ARG  13  -7.109  -5.715   5.351
   97    HG3  ARG  13          1HG       ARG  13  -5.997  -7.082   5.311
   98    HD2  ARG  13          2HD       ARG  13  -5.419  -4.378   6.510
   99    HD3  ARG  13          1HD       ARG  13  -5.846  -5.826   7.417
  100    HE   ARG  13           HE       ARG  13  -3.672  -6.684   6.127
  101   HH11  ARG  13          1HH1      ARG  13  -4.166  -3.660   7.887
  102   HH12  ARG  13          2HH1      ARG  13  -2.525  -3.483   8.265
  103   HH21  ARG  13          1HH2      ARG  13  -1.571  -6.495   6.658
  104   HH22  ARG  13          2HH2      ARG  13  -0.957  -5.158   7.572
  105    H    LYS  14           H        LYS  14  -7.358  -4.482   1.053
  106    HA   LYS  14           HA       LYS  14  -5.203  -4.505  -0.878
  107    HB2  LYS  14          2HB       LYS  14  -7.915  -3.211  -1.025
  108    HB3  LYS  14          1HB       LYS  14  -6.769  -3.368  -2.346
  109    HG2  LYS  14          2HG       LYS  14  -8.109  -5.602  -0.894
  110    HG3  LYS  14          1HG       LYS  14  -8.547  -4.980  -2.502
  111    HD2  LYS  14          2HD       LYS  14  -6.326  -5.656  -3.315
  112    HD3  LYS  14          1HD       LYS  14  -5.949  -6.292  -1.709
  113    HE2  LYS  14          2HE       LYS  14  -7.819  -7.864  -1.896
  114    HE3  LYS  14          1HE       LYS  14  -8.172  -7.240  -3.504
  115    HZ1  LYS  14          1HZ       LYS  14  -6.904  -9.281  -3.597
  116    HZ2  LYS  14          2HZ       LYS  14  -5.685  -8.603  -2.672
  117    HZ3  LYS  14          3HZ       LYS  14  -5.984  -8.017  -4.232
  118    H    CYS  15           H        CYS  15  -4.193  -2.822  -1.556
  119    HA   CYS  15           HA       CYS  15  -4.017  -0.595   0.336
  120    HB2  CYS  15          2HB       CYS  15  -1.986  -1.981  -0.240
  121    HB3  CYS  15          1HB       CYS  15  -2.081  -1.349  -1.871
  122    H    CYS  16           H        CYS  16  -3.683   1.641  -0.593
  123    HA   CYS  16           HA       CYS  16  -5.789   2.153  -2.437
  124    HB2  CYS  16          2HB       CYS  16  -3.709   4.027  -1.297
  125    HB3  CYS  16          1HB       CYS  16  -5.122   4.528  -2.214
  126    H    LYS  17           H        LYS  17  -5.688   3.234  -4.456
  127    HA   LYS  17           HA       LYS  17  -3.693   2.248  -6.193
  128    HB2  LYS  17          2HB       LYS  17  -6.041   2.811  -6.896
  129    HB3  LYS  17          1HB       LYS  17  -5.645   4.513  -6.702
  130    HG2  LYS  17          2HG       LYS  17  -3.943   4.321  -8.454
  131    HG3  LYS  17          1HG       LYS  17  -4.320   2.612  -8.638
  132    HD2  LYS  17          2HD       LYS  17  -5.438   3.793 -10.392
  133    HD3  LYS  17          1HD       LYS  17  -6.660   3.277  -9.234
  134    HE2  LYS  17          2HE       LYS  17  -7.104   5.551  -9.955
  135    HE3  LYS  17          1HE       LYS  17  -6.653   5.550  -8.256
  136    HZ1  LYS  17          1HZ       LYS  17  -4.430   6.278  -8.872
  137    HZ2  LYS  17          2HZ       LYS  17  -5.564   7.332  -9.513
  138    HZ3  LYS  17          3HZ       LYS  17  -4.822   6.190 -10.507
  139    H    GLY  18           H        GLY  18  -1.919   3.221  -7.023
  140    HA2  GLY  18          2HA       GLY  18  -0.416   4.995  -7.364
  141    HA3  GLY  18          1HA       GLY  18  -1.276   5.928  -6.139
  142    H    MET  19           H        MET  19  -1.028   2.865  -5.039
  143    HA   MET  19           HA       MET  19   1.576   3.322  -3.788
  144    HB2  MET  19          2HB       MET  19  -0.957   2.193  -2.599
  145    HB3  MET  19          1HB       MET  19   0.618   2.083  -1.822
  146    HG2  MET  19          2HG       MET  19   0.784   4.315  -1.529
  147    HG3  MET  19          1HG       MET  19  -0.531   4.721  -2.654
  148    HE1  MET  19          1HE       MET  19  -1.989   6.216  -1.197
  149    HE2  MET  19          2HE       MET  19  -0.566   6.270  -0.163
  150    HE3  MET  19          3HE       MET  19  -2.164   6.005   0.546
  151    H    VAL  20           H        VAL  20   2.575   1.364  -3.108
  152    HA   VAL  20           HA       VAL  20   2.075  -0.849  -4.969
  153    HB   VAL  20           HB       VAL  20   4.600  -0.117  -3.444
  154   HG11  VAL  20          1HG1      VAL  20   5.708  -1.802  -4.831
  155   HG12  VAL  20          2HG1      VAL  20   4.141  -2.238  -5.521
  156   HG13  VAL  20          3HG1      VAL  20   4.451  -2.495  -3.806
  157   HG21  VAL  20          1HG2      VAL  20   3.997   0.183  -6.380
  158   HG22  VAL  20          2HG2      VAL  20   5.554   0.497  -5.612
  159   HG23  VAL  20          3HG2      VAL  20   4.156   1.495  -5.211
  160    H    CYS  21           H        CYS  21   1.383  -2.688  -4.046
  161    HA   CYS  21           HA       CYS  21   0.984  -2.651  -1.202
  162    HB2  CYS  21          2HB       CYS  21  -0.769  -3.463  -2.837
  163    HB3  CYS  21          1HB       CYS  21   0.257  -4.867  -3.129
  164    H    ARG  22           H        ARG  22   2.069  -3.779   0.266
  165    HA   ARG  22           HA       ARG  22   3.863  -5.914  -0.379
  166    HB2  ARG  22          2HB       ARG  22   4.985  -3.562  -0.865
  167    HB3  ARG  22          1HB       ARG  22   4.993  -3.396   0.879
  168    HG2  ARG  22          2HG       ARG  22   7.139  -4.132   0.208
  169    HG3  ARG  22          1HG       ARG  22   6.358  -5.509   0.975
  170    HD2  ARG  22          2HD       ARG  22   7.431  -6.300  -1.009
  171    HD3  ARG  22          1HD       ARG  22   5.695  -6.301  -1.305
  172    HE   ARG  22           HE       ARG  22   7.149  -3.955  -2.143
  173   HH11  ARG  22          1HH1      ARG  22   5.712  -7.051  -3.118
  174   HH12  ARG  22          2HH1      ARG  22   5.767  -6.738  -4.783
  175   HH21  ARG  22          1HH2      ARG  22   7.238  -3.504  -4.476
  176   HH22  ARG  22          2HH2      ARG  22   6.628  -4.663  -5.566
  177    H    LEU  23           H        LEU  23   5.150  -6.055   2.046
  178    HA   LEU  23           HA       LEU  23   3.323  -6.691   4.005
  179    HB2  LEU  23          2HB       LEU  23   6.143  -5.676   4.388
  180    HB3  LEU  23          1HB       LEU  23   5.179  -6.424   5.643
  181    HG   LEU  23           HG       LEU  23   6.161  -7.767   3.129
  182   HD11  LEU  23          1HD1      LEU  23   7.589  -9.033   4.656
  183   HD12  LEU  23          2HD1      LEU  23   7.010  -8.055   6.003
  184   HD13  LEU  23          3HD1      LEU  23   7.945  -7.307   4.709
  185   HD21  LEU  23          1HD2      LEU  23   5.330  -9.834   4.172
  186   HD22  LEU  23          2HD2      LEU  23   4.023  -8.702   3.840
  187   HD23  LEU  23          3HD2      LEU  23   4.634  -8.884   5.486
  188    H    TRP  24           H        TRP  24   4.618  -3.584   3.168
  189    HA   TRP  24           HA       TRP  24   2.671  -2.412   4.928
  190    HB2  TRP  24          2HB       TRP  24   4.168  -0.542   5.437
  191    HB3  TRP  24          1HB       TRP  24   5.017  -2.036   5.817
  192    HD1  TRP  24           HD       TRP  24   5.128   0.974   3.664
  193    HE1  TRP  24          1HE       TRP  24   7.307   0.981   2.238
  194    HE3  TRP  24          3HE       TRP  24   6.726  -3.730   4.659
  195    HZ2  TRP  24          2HZ       TRP  24   9.391  -0.815   1.630
  196    HZ3  TRP  24          3HZ       TRP  24   8.803  -4.531   3.623
  197    HH2  TRP  24           HH       TRP  24  10.104  -3.091   2.139
  198    H    CYS  25           H        CYS  25   2.117  -0.058   3.868
  199    HA   CYS  25           HA       CYS  25   2.091  -0.532   1.028
  200    HB2  CYS  25          2HB       CYS  25   0.633   1.420   2.767
  201    HB3  CYS  25          1HB       CYS  25   0.736   1.679   1.029
  202    H    LYS  26           H        LYS  26   3.214   0.409  -0.413
  203    HA   LYS  26           HA       LYS  26   5.203   2.380   0.448
  204    HB2  LYS  26          2HB       LYS  26   6.180   0.261  -0.243
  205    HB3  LYS  26          1HB       LYS  26   5.255   0.264  -1.726
  206    HG2  LYS  26          2HG       LYS  26   6.523   2.319  -2.407
  207    HG3  LYS  26          1HG       LYS  26   7.516   2.104  -0.965
  208    HD2  LYS  26          2HD       LYS  26   8.190  -0.107  -1.759
  209    HD3  LYS  26          1HD       LYS  26   7.193   0.100  -3.198
  210    HE2  LYS  26          2HE       LYS  26   8.553   2.041  -3.856
  211    HE3  LYS  26          1HE       LYS  26   9.551   1.820  -2.420
  212    HZ1  LYS  26          1HZ       LYS  26  10.594   0.842  -4.372
  213    HZ2  LYS  26          2HZ       LYS  26   9.246  -0.132  -4.628
  214    HZ3  LYS  26          3HZ       LYS  26  10.197  -0.357  -3.257
  215    H    LYS  27           H        LYS  27   5.540   4.102  -1.074
  216    HA   LYS  27           HA       LYS  27   3.119   4.798  -2.495
  217    HB2  LYS  27          2HB       LYS  27   5.724   6.283  -2.174
  218    HB3  LYS  27          1HB       LYS  27   4.255   6.945  -2.867
  219    HG2  LYS  27          2HG       LYS  27   3.095   6.810  -0.786
  220    HG3  LYS  27          1HG       LYS  27   4.414   5.901  -0.054
  221    HD2  LYS  27          2HD       LYS  27   5.878   7.842  -0.281
  222    HD3  LYS  27          1HD       LYS  27   4.561   8.752  -1.026
  223    HE2  LYS  27          2HE       LYS  27   3.260   8.609   0.996
  224    HE3  LYS  27          1HE       LYS  27   4.452   7.552   1.734
  225    HZ1  LYS  27          1HZ       LYS  27   6.035   9.357   1.725
  226    HZ2  LYS  27          2HZ       LYS  27   4.630   9.857   2.511
  227    HZ3  LYS  27          3HZ       LYS  27   4.945  10.388   0.956
  228    H    LYS  28           H        LYS  28   2.979   5.089  -4.703
  229    HA   LYS  28           HA       LYS  28   4.929   3.640  -6.327
  230    HB2  LYS  28          2HB       LYS  28   2.377   3.492  -6.594
  231    HB3  LYS  28          1HB       LYS  28   2.434   5.129  -7.195
  232    HG2  LYS  28          2HG       LYS  28   2.256   3.715  -9.078
  233    HG3  LYS  28          1HG       LYS  28   3.928   4.273  -9.048
  234    HD2  LYS  28          2HD       LYS  28   4.711   2.190  -8.239
  235    HD3  LYS  28          1HD       LYS  28   3.083   1.662  -7.813
  236    HE2  LYS  28          2HE       LYS  28   3.798   0.511  -9.811
  237    HE3  LYS  28          1HE       LYS  28   2.499   1.625 -10.207
  238    HZ1  LYS  28          1HZ       LYS  28   4.160   1.771 -11.875
  239    HZ2  LYS  28          2HZ       LYS  28   5.388   1.957 -10.758
  240    HZ3  LYS  28          3HZ       LYS  28   4.303   3.205 -10.998
  241    H    LEU  29           H        LEU  29   6.686   4.876  -6.727
  242    HA   LEU  29           HA       LEU  29   6.492   7.746  -6.836
  243    HB2  LEU  29          2HB       LEU  29   8.868   5.971  -7.440
  244    HB3  LEU  29          1HB       LEU  29   8.920   7.712  -7.395
  245    HG   LEU  29           HG       LEU  29   8.237   7.498  -4.929
  246   HD11  LEU  29          1HD1      LEU  29   8.860   5.419  -3.825
  247   HD12  LEU  29          2HD1      LEU  29   9.127   4.664  -5.395
  248   HD13  LEU  29          3HD1      LEU  29   7.509   5.194  -4.935
  249   HD21  LEU  29          1HD2      LEU  29  10.457   8.171  -5.640
  250   HD22  LEU  29          2HD2      LEU  29  10.922   6.483  -5.841
  251   HD23  LEU  29          3HD2      LEU  29  10.553   7.110  -4.234
  252    H    TRP  30           H        TRP  30   7.210   5.163  -9.089
  253    HA   TRP  30           HA       TRP  30   6.346   6.897 -11.279
  254    HB2  TRP  30          2HB       TRP  30   8.745   5.030 -11.356
  255    HB3  TRP  30          1HB       TRP  30   8.091   5.901 -12.736
  256    HD1  TRP  30           HD       TRP  30   8.417   8.619 -12.690
  257    HE1  TRP  30          1HE       TRP  30  10.256  10.052 -11.631
  258    HE3  TRP  30          3HE       TRP  30  10.339   5.172  -9.454
  259    HZ2  TRP  30          2HZ       TRP  30  12.282   9.751  -9.664
  260    HZ3  TRP  30          3HZ       TRP  30  12.227   5.825  -8.028
  261    HH2  TRP  30           HH       TRP  30  13.176   8.067  -8.136
  Start of MODEL    4
    1    H1   TYR   1          1HT       TYR   1 -11.113   0.545   5.368
    2    H2   TYR   1          2HT       TYR   1 -10.347   1.812   4.585
    3    H3   TYR   1          3HT       TYR   1  -9.509   0.406   4.908
    4    HA   TYR   1           HA       TYR   1 -10.828  -0.845   3.404
    5    HB2  TYR   1          2HB       TYR   1 -12.904   0.567   3.693
    6    HB3  TYR   1          1HB       TYR   1 -12.133   1.805   2.712
    7    HD1  TYR   1          1HD       TYR   1 -13.034  -1.817   2.577
    8    HD2  TYR   1          2HD       TYR   1 -12.583   1.833   0.429
    9    HE1  TYR   1          1HE       TYR   1 -13.952  -2.886   0.587
   10    HE2  TYR   1          2HE       TYR   1 -13.494   0.777  -1.566
   11    HH   TYR   1           HH       TYR   1 -15.082  -2.240  -1.460
   12    H    CYS   2           H        CYS   2 -10.191   2.576   2.512
   13    HA   CYS   2           HA       CYS   2  -8.305   1.620   0.559
   14    HB2  CYS   2          2HB       CYS   2  -9.761   3.725   0.247
   15    HB3  CYS   2          1HB       CYS   2  -8.716   4.442   1.490
   16    H    GLN   3           H        GLN   3  -6.156   1.950   0.845
   17    HA   GLN   3           HA       GLN   3  -5.524   1.967   3.682
   18    HB2  GLN   3          2HB       GLN   3  -3.928   0.717   1.461
   19    HB3  GLN   3          1HB       GLN   3  -3.485   0.688   3.159
   20    HG2  GLN   3          2HG       GLN   3  -5.919  -0.599   1.926
   21    HG3  GLN   3          1HG       GLN   3  -4.484  -1.426   2.522
   22   HE21  GLN   3          1HE2      GLN   3  -4.175  -1.597   4.761
   23   HE22  GLN   3          2HE2      GLN   3  -5.476  -1.305   5.875
   24    H    LYS   4           H        LYS   4  -3.931   3.102   4.536
   25    HA   LYS   4           HA       LYS   4  -3.030   5.426   3.027
   26    HB2  LYS   4          2HB       LYS   4  -2.763   4.778   5.972
   27    HB3  LYS   4          1HB       LYS   4  -2.404   6.319   5.210
   28    HG2  LYS   4          2HG       LYS   4  -4.763   6.584   4.644
   29    HG3  LYS   4          1HG       LYS   4  -5.117   5.035   5.406
   30    HD2  LYS   4          2HD       LYS   4  -4.284   5.913   7.552
   31    HD3  LYS   4          1HD       LYS   4  -3.980   7.472   6.780
   32    HE2  LYS   4          2HE       LYS   4  -6.361   7.678   6.260
   33    HE3  LYS   4          1HE       LYS   4  -6.655   6.108   7.003
   34    HZ1  LYS   4          1HZ       LYS   4  -5.864   7.056   9.115
   35    HZ2  LYS   4          2HZ       LYS   4  -7.236   7.805   8.534
   36    HZ3  LYS   4          3HZ       LYS   4  -5.742   8.580   8.390
   37    H    TRP   5           H        TRP   5  -0.742   6.097   3.551
   38    HA   TRP   5           HA       TRP   5   1.175   4.177   2.745
   39    HB2  TRP   5          2HB       TRP   5   2.831   5.909   3.188
   40    HB3  TRP   5          1HB       TRP   5   1.406   6.678   2.493
   41    HD1  TRP   5           HD       TRP   5  -0.239   7.960   4.347
   42    HE1  TRP   5          1HE       TRP   5   0.373   9.214   6.504
   43    HE3  TRP   5          3HE       TRP   5   4.449   6.076   5.074
   44    HZ2  TRP   5          2HZ       TRP   5   2.554   9.385   8.281
   45    HZ3  TRP   5          3HZ       TRP   5   5.729   6.828   7.026
   46    HH2  TRP   5           HH       TRP   5   4.798   8.452   8.598
   47    H    MET   6           H        MET   6  -0.119   5.060   5.746
   48    HA   MET   6           HA       MET   6   2.018   4.265   7.388
   49    HB2  MET   6          2HB       MET   6   0.557   6.045   8.049
   50    HB3  MET   6          1HB       MET   6  -0.836   4.980   8.010
   51    HG2  MET   6          2HG       MET   6   0.007   3.735   9.886
   52    HG3  MET   6          1HG       MET   6   1.491   4.682   9.875
   53    HE1  MET   6          1HE       MET   6   1.598   7.266  10.517
   54    HE2  MET   6          2HE       MET   6   0.194   8.230  10.956
   55    HE3  MET   6          3HE       MET   6   0.375   7.644   9.305
   56    H    TRP   7           H        TRP   7  -0.681   2.749   5.950
   57    HA   TRP   7           HA       TRP   7  -0.606   0.549   7.851
   58    HB2  TRP   7          2HB       TRP   7  -2.618   1.100   5.655
   59    HB3  TRP   7          1HB       TRP   7  -2.664  -0.292   6.727
   60    HD1  TRP   7           HD       TRP   7  -1.876   1.607   9.379
   61    HE1  TRP   7          1HE       TRP   7  -3.785   2.994  10.410
   62    HE3  TRP   7          3HE       TRP   7  -5.116   1.539   5.469
   63    HZ2  TRP   7          2HZ       TRP   7  -6.347   3.925   9.656
   64    HZ3  TRP   7          3HZ       TRP   7  -7.279   2.694   5.684
   65    HH2  TRP   7           HH       TRP   7  -7.880   3.856   7.745
   66    H    THR   8           H        THR   8  -1.067  -1.636   6.651
   67    HA   THR   8           HA       THR   8   1.022  -1.856   4.619
   68    HB   THR   8           HB       THR   8   1.571  -4.030   5.695
   69    HG1  THR   8          1HG       THR   8   0.180  -3.509   8.014
   70   HG21  THR   8          1HG2      THR   8   2.587  -3.155   7.752
   71   HG22  THR   8          2HG2      THR   8   1.492  -1.778   7.722
   72   HG23  THR   8          3HG2      THR   8   2.728  -1.920   6.494
   73    H    CYS   9           H        CYS   9   0.656  -4.187   3.338
   74    HA   CYS   9           HA       CYS   9  -2.236  -4.573   3.365
   75    HB2  CYS   9          2HB       CYS   9  -2.306  -4.964   1.051
   76    HB3  CYS   9          1HB       CYS   9  -1.301  -3.536   1.233
   77    H    ASP  10           H        ASP  10  -2.810  -6.739   2.398
   78    HA   ASP  10           HA       ASP  10  -0.973  -8.886   3.188
   79    HB2  ASP  10          2HB       ASP  10  -3.932  -8.889   3.869
   80    HB3  ASP  10          1HB       ASP  10  -2.735 -10.067   4.358
   81    H    SER  11           H        SER  11  -3.127 -10.828   2.594
   82    HA   SER  11           HA       SER  11  -3.176 -10.510  -0.249
   83    HB2  SER  11          2HB       SER  11  -4.536 -12.580   1.484
   84    HB3  SER  11          1HB       SER  11  -4.385 -12.649  -0.271
   85    HG   SER  11           HG       SER  11  -2.045 -12.250   1.152
   86    H    GLU  12           H        GLU  12  -5.496 -10.132   2.394
   87    HA   GLU  12           HA       GLU  12  -7.570  -9.543   0.475
   88    HB2  GLU  12          2HB       GLU  12  -7.661  -9.743   3.474
   89    HB3  GLU  12          1HB       GLU  12  -9.015  -9.125   2.545
   90    HG2  GLU  12          2HG       GLU  12  -9.396 -11.421   3.072
   91    HG3  GLU  12          1HG       GLU  12  -9.114 -11.279   1.342
   92    H    ARG  13           H        ARG  13  -6.142  -7.698   3.210
   93    HA   ARG  13           HA       ARG  13  -7.224  -5.232   2.207
   94    HB2  ARG  13          2HB       ARG  13  -4.834  -5.670   4.022
   95    HB3  ARG  13          1HB       ARG  13  -5.517  -4.107   3.645
   96    HG2  ARG  13          2HG       ARG  13  -7.582  -4.758   4.805
   97    HG3  ARG  13          1HG       ARG  13  -6.851  -6.318   5.201
   98    HD2  ARG  13          2HD       ARG  13  -5.870  -3.592   6.050
   99    HD3  ARG  13          1HD       ARG  13  -6.588  -4.827   7.090
  100    HE   ARG  13           HE       ARG  13  -4.544  -6.195   6.192
  101   HH11  ARG  13          1HH1      ARG  13  -4.490  -2.849   7.365
  102   HH12  ARG  13          2HH1      ARG  13  -2.812  -2.887   7.686
  103   HH21  ARG  13          1HH2      ARG  13  -2.335  -6.213   6.638
  104   HH22  ARG  13          2HH2      ARG  13  -1.528  -4.826   7.222
  105    H    LYS  14           H        LYS  14  -6.626  -4.512   0.257
  106    HA   LYS  14           HA       LYS  14  -3.813  -4.793  -0.451
  107    HB2  LYS  14          2HB       LYS  14  -4.507  -4.351  -2.801
  108    HB3  LYS  14          1HB       LYS  14  -5.166  -5.828  -2.122
  109    HG2  LYS  14          2HG       LYS  14  -7.294  -4.668  -1.739
  110    HG3  LYS  14          1HG       LYS  14  -6.616  -3.222  -2.491
  111    HD2  LYS  14          2HD       LYS  14  -6.315  -4.377  -4.573
  112    HD3  LYS  14          1HD       LYS  14  -6.798  -5.907  -3.842
  113    HE2  LYS  14          2HE       LYS  14  -8.654  -5.068  -5.071
  114    HE3  LYS  14          1HE       LYS  14  -8.963  -4.924  -3.340
  115    HZ1  LYS  14          1HZ       LYS  14  -9.666  -2.930  -4.519
  116    HZ2  LYS  14          2HZ       LYS  14  -8.122  -2.692  -5.113
  117    HZ3  LYS  14          3HZ       LYS  14  -8.417  -2.564  -3.458
  118    H    CYS  15           H        CYS  15  -2.668  -2.990  -1.224
  119    HA   CYS  15           HA       CYS  15  -3.505  -0.536  -0.022
  120    HB2  CYS  15          2HB       CYS  15  -1.165  -1.052  -1.880
  121    HB3  CYS  15          1HB       CYS  15  -1.392   0.374  -0.873
  122    H    CYS  16           H        CYS  16  -4.020   1.419  -1.127
  123    HA   CYS  16           HA       CYS  16  -5.578   0.948  -3.438
  124    HB2  CYS  16          2HB       CYS  16  -4.899   3.490  -1.968
  125    HB3  CYS  16          1HB       CYS  16  -6.048   3.405  -3.306
  126    H    LYS  17           H        LYS  17  -5.436   2.275  -5.389
  127    HA   LYS  17           HA       LYS  17  -2.976   1.943  -6.659
  128    HB2  LYS  17          2HB       LYS  17  -5.170   1.959  -7.797
  129    HB3  LYS  17          1HB       LYS  17  -5.313   3.676  -7.466
  130    HG2  LYS  17          2HG       LYS  17  -3.451   4.160  -8.906
  131    HG3  LYS  17          1HG       LYS  17  -3.149   2.437  -9.145
  132    HD2  LYS  17          2HD       LYS  17  -5.346   2.186 -10.162
  133    HD3  LYS  17          1HD       LYS  17  -5.662   3.897  -9.911
  134    HE2  LYS  17          2HE       LYS  17  -3.387   2.826 -11.555
  135    HE3  LYS  17          1HE       LYS  17  -4.949   3.281 -12.230
  136    HZ1  LYS  17          1HZ       LYS  17  -3.369   5.090 -12.450
  137    HZ2  LYS  17          2HZ       LYS  17  -3.079   5.116 -10.794
  138    HZ3  LYS  17          3HZ       LYS  17  -4.588   5.528 -11.387
  139    H    GLY  18           H        GLY  18  -1.308   3.278  -6.984
  140    HA2  GLY  18          2HA       GLY  18  -0.290   5.484  -6.934
  141    HA3  GLY  18          1HA       GLY  18  -1.395   5.889  -5.610
  142    H    MET  19           H        MET  19  -0.979   2.961  -4.890
  143    HA   MET  19           HA       MET  19   1.671   3.051  -3.652
  144    HB2  MET  19          2HB       MET  19  -0.904   2.053  -2.413
  145    HB3  MET  19          1HB       MET  19   0.692   1.920  -1.701
  146    HG2  MET  19          2HG       MET  19   0.822   4.270  -1.446
  147    HG3  MET  19          1HG       MET  19  -0.727   4.499  -2.278
  148    HE1  MET  19          1HE       MET  19  -1.722   5.441   1.309
  149    HE2  MET  19          2HE       MET  19  -1.769   5.875  -0.401
  150    HE3  MET  19          3HE       MET  19  -0.230   5.831   0.459
  151    H    VAL  20           H        VAL  20   2.460   0.920  -3.362
  152    HA   VAL  20           HA       VAL  20   1.011  -1.047  -4.941
  153    HB   VAL  20           HB       VAL  20   3.157  -2.296  -5.145
  154   HG11  VAL  20          1HG1      VAL  20   4.205  -0.800  -6.765
  155   HG12  VAL  20          2HG1      VAL  20   3.270   0.550  -6.123
  156   HG13  VAL  20          3HG1      VAL  20   2.448  -0.794  -6.917
  157   HG21  VAL  20          1HG2      VAL  20   4.384   0.155  -3.863
  158   HG22  VAL  20          2HG2      VAL  20   5.279  -1.180  -4.588
  159   HG23  VAL  20          3HG2      VAL  20   4.299  -1.455  -3.146
  160    H    CYS  21           H        CYS  21   0.555  -2.987  -4.102
  161    HA   CYS  21           HA       CYS  21   0.256  -3.170  -1.287
  162    HB2  CYS  21          2HB       CYS  21  -1.266  -4.246  -2.988
  163    HB3  CYS  21          1HB       CYS  21   0.033  -5.356  -3.384
  164    H    ARG  22           H        ARG  22   1.926  -3.482  -0.009
  165    HA   ARG  22           HA       ARG  22   3.970  -5.399  -0.749
  166    HB2  ARG  22          2HB       ARG  22   4.277  -2.779  -1.362
  167    HB3  ARG  22          1HB       ARG  22   4.871  -2.775   0.285
  168    HG2  ARG  22          2HG       ARG  22   6.721  -3.018  -1.191
  169    HG3  ARG  22          1HG       ARG  22   6.467  -4.556  -0.360
  170    HD2  ARG  22          2HD       ARG  22   5.363  -5.471  -2.322
  171    HD3  ARG  22          1HD       ARG  22   5.471  -3.912  -3.141
  172    HE   ARG  22           HE       ARG  22   8.024  -4.700  -2.363
  173   HH11  ARG  22          1HH1      ARG  22   5.563  -5.671  -4.726
  174   HH12  ARG  22          2HH1      ARG  22   6.698  -6.319  -5.817
  175   HH21  ARG  22          1HH2      ARG  22   9.544  -5.531  -3.895
  176   HH22  ARG  22          2HH2      ARG  22   9.009  -6.235  -5.345
  177    H    LEU  23           H        LEU  23   5.682  -4.977   1.335
  178    HA   LEU  23           HA       LEU  23   4.680  -6.180   3.601
  179    HB2  LEU  23          2HB       LEU  23   6.873  -4.100   3.521
  180    HB3  LEU  23          1HB       LEU  23   6.636  -5.289   4.778
  181    HG   LEU  23           HG       LEU  23   7.403  -5.896   1.926
  182   HD11  LEU  23          1HD1      LEU  23   9.185  -4.774   3.132
  183   HD12  LEU  23          2HD1      LEU  23   9.585  -6.471   2.869
  184   HD13  LEU  23          3HD1      LEU  23   9.039  -5.928   4.456
  185   HD21  LEU  23          1HD2      LEU  23   7.183  -7.701   4.339
  186   HD22  LEU  23          2HD2      LEU  23   7.825  -8.168   2.767
  187   HD23  LEU  23          3HD2      LEU  23   6.128  -7.721   2.925
  188    H    TRP  24           H        TRP  24   5.106  -2.774   2.953
  189    HA   TRP  24           HA       TRP  24   2.829  -2.246   4.609
  190    HB2  TRP  24          2HB       TRP  24   3.823  -0.144   5.433
  191    HB3  TRP  24          1HB       TRP  24   4.905  -1.468   5.835
  192    HD1  TRP  24           HD       TRP  24   4.572   1.547   3.636
  193    HE1  TRP  24          1HE       TRP  24   6.913   2.223   2.704
  194    HE3  TRP  24          3HE       TRP  24   7.238  -2.434   5.290
  195    HZ2  TRP  24          2HZ       TRP  24   9.527   1.163   2.707
  196    HZ3  TRP  24          3HZ       TRP  24   9.647  -2.552   4.802
  197    HH2  TRP  24           HH       TRP  24  10.764  -0.788   3.537
  198    H    CYS  25           H        CYS  25   1.732  -0.145   3.700
  199    HA   CYS  25           HA       CYS  25   1.683  -0.439   0.892
  200    HB2  CYS  25          2HB       CYS  25   0.374   1.565   2.725
  201    HB3  CYS  25          1HB       CYS  25   0.134   1.564   0.978
  202    H    LYS  26           H        LYS  26   3.014   0.271  -0.472
  203    HA   LYS  26           HA       LYS  26   4.799   2.430   0.354
  204    HB2  LYS  26          2HB       LYS  26   5.839   0.237   0.055
  205    HB3  LYS  26          1HB       LYS  26   5.233   0.167  -1.589
  206    HG2  LYS  26          2HG       LYS  26   6.626   1.957  -2.260
  207    HG3  LYS  26          1HG       LYS  26   7.098   2.286  -0.597
  208    HD2  LYS  26          2HD       LYS  26   8.098  -0.017  -0.523
  209    HD3  LYS  26          1HD       LYS  26   7.738  -0.161  -2.243
  210    HE2  LYS  26          2HE       LYS  26   9.524   1.909  -0.970
  211    HE3  LYS  26          1HE       LYS  26  10.064   0.494  -1.865
  212    HZ1  LYS  26          1HZ       LYS  26  10.122   2.472  -3.201
  213    HZ2  LYS  26          2HZ       LYS  26   8.492   2.760  -2.960
  214    HZ3  LYS  26          3HZ       LYS  26   9.000   1.392  -3.845
  215    H    LYS  27           H        LYS  27   4.683   4.255  -0.732
  216    HA   LYS  27           HA       LYS  27   2.842   4.751  -2.768
  217    HB2  LYS  27          2HB       LYS  27   5.275   6.284  -1.923
  218    HB3  LYS  27          1HB       LYS  27   4.210   6.835  -3.201
  219    HG2  LYS  27          2HG       LYS  27   3.372   6.287  -0.384
  220    HG3  LYS  27          1HG       LYS  27   3.787   7.887  -1.039
  221    HD2  LYS  27          2HD       LYS  27   1.947   7.588  -2.695
  222    HD3  LYS  27          1HD       LYS  27   1.503   6.094  -1.879
  223    HE2  LYS  27          2HE       LYS  27   0.072   7.870  -1.074
  224    HE3  LYS  27          1HE       LYS  27   1.169   7.376   0.209
  225    HZ1  LYS  27          1HZ       LYS  27   1.567   9.724  -1.538
  226    HZ2  LYS  27          2HZ       LYS  27   2.531   9.297  -0.232
  227    HZ3  LYS  27          3HZ       LYS  27   0.939   9.794   0.013
  228    H    LYS  28           H        LYS  28   3.004   5.092  -4.818
  229    HA   LYS  28           HA       LYS  28   5.007   3.596  -6.272
  230    HB2  LYS  28          2HB       LYS  28   2.562   3.698  -6.939
  231    HB3  LYS  28          1HB       LYS  28   2.808   5.386  -7.350
  232    HG2  LYS  28          2HG       LYS  28   4.445   4.734  -9.045
  233    HG3  LYS  28          1HG       LYS  28   4.184   3.038  -8.631
  234    HD2  LYS  28          2HD       LYS  28   1.801   3.293  -9.239
  235    HD3  LYS  28          1HD       LYS  28   2.133   4.957  -9.714
  236    HE2  LYS  28          2HE       LYS  28   2.109   3.563 -11.681
  237    HE3  LYS  28          1HE       LYS  28   3.744   4.134 -11.383
  238    HZ1  LYS  28          1HZ       LYS  28   2.745   1.448 -10.589
  239    HZ2  LYS  28          2HZ       LYS  28   4.336   1.998 -10.477
  240    HZ3  LYS  28          3HZ       LYS  28   3.620   1.766 -11.983
  241    H    LEU  29           H        LEU  29   6.743   4.512  -7.271
  242    HA   LEU  29           HA       LEU  29   7.619   6.952  -6.312
  243    HB2  LEU  29          2HB       LEU  29   9.522   6.681  -7.958
  244    HB3  LEU  29          1HB       LEU  29   9.284   5.400  -6.802
  245    HG   LEU  29           HG       LEU  29   8.072   4.155  -8.682
  246   HD11  LEU  29          1HD1      LEU  29   7.754   5.995 -10.204
  247   HD12  LEU  29          2HD1      LEU  29   8.733   4.729 -10.945
  248   HD13  LEU  29          3HD1      LEU  29   9.498   6.202 -10.347
  249   HD21  LEU  29          1HD2      LEU  29  10.171   3.328  -9.600
  250   HD22  LEU  29          2HD2      LEU  29  10.242   3.512  -7.847
  251   HD23  LEU  29          3HD2      LEU  29  11.019   4.704  -8.892
  252    H    TRP  30           H        TRP  30   5.827   6.323  -9.175
  253    HA   TRP  30           HA       TRP  30   5.276   9.085  -9.438
  254    HB2  TRP  30          2HB       TRP  30   7.405   8.895 -10.768
  255    HB3  TRP  30          1HB       TRP  30   6.627   7.676 -11.771
  256    HD1  TRP  30           HD       TRP  30   5.135   8.528 -13.741
  257    HE1  TRP  30          1HE       TRP  30   4.541  10.849 -14.673
  258    HE3  TRP  30          3HE       TRP  30   6.926  11.393  -9.937
  259    HZ2  TRP  30          2HZ       TRP  30   4.810  13.556 -13.894
  260    HZ3  TRP  30          3HZ       TRP  30   6.724  13.848 -10.093
  261    HH2  TRP  30           HH       TRP  30   5.684  14.900 -12.038
  Start of MODEL    5
    1    H1   TYR   1          1HT       TYR   1 -10.813   1.547   4.804
    2    H2   TYR   1          2HT       TYR   1 -10.912  -0.065   5.305
    3    H3   TYR   1          3HT       TYR   1 -12.278   0.933   5.390
    4    HA   TYR   1           HA       TYR   1 -12.395  -0.611   3.590
    5    HB2  TYR   1          2HB       TYR   1 -13.501   1.609   3.439
    6    HB3  TYR   1          1HB       TYR   1 -12.045   2.280   2.725
    7    HD1  TYR   1          1HD       TYR   1 -14.683  -0.295   2.161
    8    HD2  TYR   1          2HD       TYR   1 -11.785   2.279   0.390
    9    HE1  TYR   1          1HE       TYR   1 -15.543  -0.857  -0.053
   10    HE2  TYR   1          2HE       TYR   1 -12.638   1.722  -1.827
   11    HH   TYR   1           HH       TYR   1 -15.582   0.110  -2.327
   12    H    CYS   2           H        CYS   2  -9.823   1.812   2.891
   13    HA   CYS   2           HA       CYS   2  -8.406  -0.290   1.435
   14    HB2  CYS   2          2HB       CYS   2  -9.486   1.358  -0.093
   15    HB3  CYS   2          1HB       CYS   2  -8.626   2.645   0.749
   16    H    GLN   3           H        GLN   3  -6.070   0.162   1.391
   17    HA   GLN   3           HA       GLN   3  -5.297   1.095   4.023
   18    HB2  GLN   3          2HB       GLN   3  -3.573  -0.361   2.007
   19    HB3  GLN   3          1HB       GLN   3  -3.146   0.023   3.657
   20    HG2  GLN   3          2HG       GLN   3  -5.363  -1.813   2.803
   21    HG3  GLN   3          1HG       GLN   3  -3.806  -2.289   3.480
   22   HE21  GLN   3          1HE2      GLN   3  -3.419  -1.936   5.647
   23   HE22  GLN   3          2HE2      GLN   3  -4.707  -1.606   6.764
   24    H    LYS   4           H        LYS   4  -3.934   2.625   4.496
   25    HA   LYS   4           HA       LYS   4  -3.388   4.663   2.476
   26    HB2  LYS   4          2HB       LYS   4  -2.998   4.767   5.473
   27    HB3  LYS   4          1HB       LYS   4  -3.080   6.129   4.365
   28    HG2  LYS   4          2HG       LYS   4  -5.438   5.634   3.925
   29    HG3  LYS   4          1HG       LYS   4  -5.355   4.260   5.030
   30    HD2  LYS   4          2HD       LYS   4  -4.715   5.881   6.829
   31    HD3  LYS   4          1HD       LYS   4  -5.048   7.182   5.686
   32    HE2  LYS   4          2HE       LYS   4  -7.012   5.106   6.653
   33    HE3  LYS   4          1HE       LYS   4  -6.955   6.797   7.134
   34    HZ1  LYS   4          1HZ       LYS   4  -7.505   7.424   4.863
   35    HZ2  LYS   4          2HZ       LYS   4  -8.659   6.389   5.484
   36    HZ3  LYS   4          3HZ       LYS   4  -7.545   5.807   4.388
   37    H    TRP   5           H        TRP   5  -1.154   5.749   2.748
   38    HA   TRP   5           HA       TRP   5   0.931   3.869   2.384
   39    HB2  TRP   5          2HB       TRP   5   2.445   5.717   2.177
   40    HB3  TRP   5          1HB       TRP   5   0.912   6.263   1.511
   41    HD1  TRP   5           HD       TRP   5  -0.526   7.972   3.150
   42    HE1  TRP   5          1HE       TRP   5   0.300   9.733   4.810
   43    HE3  TRP   5          3HE       TRP   5   4.228   6.275   3.817
   44    HZ2  TRP   5          2HZ       TRP   5   2.647  10.322   6.237
   45    HZ3  TRP   5          3HZ       TRP   5   5.700   7.496   5.360
   46    HH2  TRP   5           HH       TRP   5   4.924   9.470   6.540
   47    H    MET   6           H        MET   6  -0.318   5.360   5.120
   48    HA   MET   6           HA       MET   6   1.918   5.025   6.808
   49    HB2  MET   6          2HB       MET   6   0.345   6.805   7.212
   50    HB3  MET   6          1HB       MET   6  -0.967   5.654   7.392
   51    HG2  MET   6          2HG       MET   6  -0.053   4.835   9.434
   52    HG3  MET   6          1HG       MET   6   1.403   5.801   9.213
   53    HE1  MET   6          1HE       MET   6  -2.780   7.625  10.025
   54    HE2  MET   6          2HE       MET   6  -2.484   5.894   9.840
   55    HE3  MET   6          3HE       MET   6  -2.304   6.975   8.459
   56    H    TRP   7           H        TRP   7  -0.556   3.051   5.674
   57    HA   TRP   7           HA       TRP   7  -0.362   1.143   7.891
   58    HB2  TRP   7          2HB       TRP   7  -2.442   1.383   5.698
   59    HB3  TRP   7          1HB       TRP   7  -2.434   0.120   6.912
   60    HD1  TRP   7           HD       TRP   7  -1.569   2.902   8.991
   61    HE1  TRP   7          1HE       TRP   7  -3.659   4.097   9.991
   62    HE3  TRP   7          3HE       TRP   7  -5.183   0.986   5.940
   63    HZ2  TRP   7          2HZ       TRP   7  -6.406   4.191   9.540
   64    HZ3  TRP   7          3HZ       TRP   7  -7.513   1.686   6.289
   65    HH2  TRP   7           HH       TRP   7  -8.106   3.248   8.062
   66    H    THR   8           H        THR   8  -0.619  -1.212   7.023
   67    HA   THR   8           HA       THR   8   1.259  -1.523   4.814
   68    HB   THR   8           HB       THR   8   1.787  -3.728   5.911
   69    HG1  THR   8          1HG       THR   8   1.003  -3.855   8.162
   70   HG21  THR   8          1HG2      THR   8   2.995  -2.825   7.843
   71   HG22  THR   8          2HG2      THR   8   2.009  -1.366   7.787
   72   HG23  THR   8          3HG2      THR   8   3.127  -1.716   6.475
   73    H    CYS   9           H        CYS   9   0.702  -3.877   3.505
   74    HA   CYS   9           HA       CYS   9  -2.164  -4.231   3.796
   75    HB2  CYS   9          2HB       CYS   9  -2.440  -4.329   1.342
   76    HB3  CYS   9          1HB       CYS   9  -1.964  -2.741   1.928
   77    H    ASP  10           H        ASP  10  -2.804  -6.134   2.138
   78    HA   ASP  10           HA       ASP  10  -0.959  -8.361   2.430
   79    HB2  ASP  10          2HB       ASP  10  -3.647  -8.166   3.790
   80    HB3  ASP  10          1HB       ASP  10  -2.888  -9.710   3.448
   81    H    SER  11           H        SER  11  -2.769 -10.360   1.814
   82    HA   SER  11           HA       SER  11  -3.336  -9.881  -0.889
   83    HB2  SER  11          2HB       SER  11  -4.475 -12.139  -0.668
   84    HB3  SER  11          1HB       SER  11  -2.778 -12.105  -0.193
   85    HG   SER  11           HG       SER  11  -4.403 -13.158   1.190
   86    H    GLU  12           H        GLU  12  -5.303 -10.051   2.039
   87    HA   GLU  12           HA       GLU  12  -7.647  -9.375   0.497
   88    HB2  GLU  12          2HB       GLU  12  -7.392  -9.884   3.449
   89    HB3  GLU  12          1HB       GLU  12  -8.897  -9.610   2.588
   90    HG2  GLU  12          2HG       GLU  12  -8.409 -11.617   1.212
   91    HG3  GLU  12          1HG       GLU  12  -7.011 -11.920   2.244
   92    H    ARG  13           H        ARG  13  -5.609  -7.842   2.971
   93    HA   ARG  13           HA       ARG  13  -7.243  -5.493   2.935
   94    HB2  ARG  13          2HB       ARG  13  -4.389  -5.812   3.911
   95    HB3  ARG  13          1HB       ARG  13  -5.341  -4.350   4.100
   96    HG2  ARG  13          2HG       ARG  13  -6.990  -5.707   5.422
   97    HG3  ARG  13          1HG       ARG  13  -5.830  -7.034   5.369
   98    HD2  ARG  13          2HD       ARG  13  -5.351  -4.293   6.539
   99    HD3  ARG  13          1HD       ARG  13  -5.617  -5.777   7.452
  100    HE   ARG  13           HE       ARG  13  -3.465  -6.451   6.020
  101   HH11  ARG  13          1HH1      ARG  13  -4.044  -3.512   7.911
  102   HH12  ARG  13          2HH1      ARG  13  -2.388  -3.257   8.209
  103   HH21  ARG  13          1HH2      ARG  13  -1.323  -6.095   6.415
  104   HH22  ARG  13          2HH2      ARG  13  -0.780  -4.711   7.303
  105    H    LYS  14           H        LYS  14  -7.423  -4.206   1.322
  106    HA   LYS  14           HA       LYS  14  -5.620  -4.414  -0.923
  107    HB2  LYS  14          2HB       LYS  14  -8.223  -2.939  -0.562
  108    HB3  LYS  14          1HB       LYS  14  -7.300  -2.983  -2.053
  109    HG2  LYS  14          2HG       LYS  14  -7.643  -5.389  -2.217
  110    HG3  LYS  14          1HG       LYS  14  -8.506  -5.386  -0.679
  111    HD2  LYS  14          2HD       LYS  14 -10.086  -5.425  -2.551
  112    HD3  LYS  14          1HD       LYS  14 -10.227  -3.915  -1.657
  113    HE2  LYS  14          2HE       LYS  14  -8.824  -2.801  -3.359
  114    HE3  LYS  14          1HE       LYS  14  -8.732  -4.317  -4.253
  115    HZ1  LYS  14          1HZ       LYS  14 -10.373  -2.822  -5.147
  116    HZ2  LYS  14          2HZ       LYS  14 -11.214  -2.786  -3.689
  117    HZ3  LYS  14          3HZ       LYS  14 -11.125  -4.217  -4.583
  118    H    CYS  15           H        CYS  15  -4.107  -2.988  -1.381
  119    HA   CYS  15           HA       CYS  15  -4.041  -0.510   0.162
  120    HB2  CYS  15          2HB       CYS  15  -1.986  -2.011  -0.041
  121    HB3  CYS  15          1HB       CYS  15  -1.956  -1.556  -1.739
  122    H    CYS  16           H        CYS  16  -4.077   1.460  -0.821
  123    HA   CYS  16           HA       CYS  16  -5.679   1.531  -3.148
  124    HB2  CYS  16          2HB       CYS  16  -4.276   3.770  -1.699
  125    HB3  CYS  16          1HB       CYS  16  -5.477   3.984  -2.956
  126    H    LYS  17           H        LYS  17  -5.222   2.157  -5.219
  127    HA   LYS  17           HA       LYS  17  -2.622   1.715  -6.208
  128    HB2  LYS  17          2HB       LYS  17  -5.069   2.931  -7.480
  129    HB3  LYS  17          1HB       LYS  17  -3.569   2.663  -8.357
  130    HG2  LYS  17          2HG       LYS  17  -3.709   0.290  -7.969
  131    HG3  LYS  17          1HG       LYS  17  -5.144   0.509  -6.973
  132    HD2  LYS  17          2HD       LYS  17  -6.416   1.256  -8.860
  133    HD3  LYS  17          1HD       LYS  17  -4.974   1.290  -9.876
  134    HE2  LYS  17          2HE       LYS  17  -6.387  -0.684 -10.293
  135    HE3  LYS  17          1HE       LYS  17  -4.771  -1.109  -9.750
  136    HZ1  LYS  17          1HZ       LYS  17  -6.550  -2.418  -8.717
  137    HZ2  LYS  17          2HZ       LYS  17  -7.150  -1.028  -7.964
  138    HZ3  LYS  17          3HZ       LYS  17  -5.604  -1.604  -7.589
  139    H    GLY  18           H        GLY  18  -1.085   3.121  -6.950
  140    HA2  GLY  18          2HA       GLY  18  -0.265   5.374  -7.185
  141    HA3  GLY  18          1HA       GLY  18  -1.337   5.834  -5.851
  142    H    MET  19           H        MET  19  -0.717   3.069  -4.820
  143    HA   MET  19           HA       MET  19   1.969   3.462  -3.774
  144    HB2  MET  19          2HB       MET  19  -0.541   2.561  -2.359
  145    HB3  MET  19          1HB       MET  19   1.066   2.251  -1.718
  146    HG2  MET  19          2HG       MET  19   1.516   4.520  -1.479
  147    HG3  MET  19          1HG       MET  19   0.048   5.018  -2.346
  148    HE1  MET  19          1HE       MET  19  -2.662   4.025   0.302
  149    HE2  MET  19          2HE       MET  19  -2.082   3.011  -1.013
  150    HE3  MET  19          3HE       MET  19  -2.362   4.733  -1.284
  151    H    VAL  20           H        VAL  20   2.872   1.401  -3.101
  152    HA   VAL  20           HA       VAL  20   2.089  -0.753  -4.933
  153    HB   VAL  20           HB       VAL  20   4.717  -0.318  -3.460
  154   HG11  VAL  20          1HG1      VAL  20   4.302  -2.661  -3.975
  155   HG12  VAL  20          2HG1      VAL  20   5.629  -2.028  -4.947
  156   HG13  VAL  20          3HG1      VAL  20   4.040  -2.253  -5.672
  157   HG21  VAL  20          1HG2      VAL  20   4.401   1.437  -5.114
  158   HG22  VAL  20          2HG2      VAL  20   4.056   0.231  -6.353
  159   HG23  VAL  20          3HG2      VAL  20   5.666   0.325  -5.637
  160    H    CYS  21           H        CYS  21   1.376  -2.583  -4.039
  161    HA   CYS  21           HA       CYS  21   1.001  -2.580  -1.172
  162    HB2  CYS  21          2HB       CYS  21  -0.886  -3.124  -2.761
  163    HB3  CYS  21          1HB       CYS  21  -0.012  -4.588  -3.195
  164    H    ARG  22           H        ARG  22   2.080  -3.843   0.178
  165    HA   ARG  22           HA       ARG  22   3.300  -6.289  -0.499
  166    HB2  ARG  22          2HB       ARG  22   4.812  -4.246  -1.409
  167    HB3  ARG  22          1HB       ARG  22   5.298  -4.182   0.277
  168    HG2  ARG  22          2HG       ARG  22   6.883  -5.466  -0.965
  169    HG3  ARG  22          1HG       ARG  22   6.006  -6.562   0.102
  170    HD2  ARG  22          2HD       ARG  22   4.581  -7.240  -1.773
  171    HD3  ARG  22          1HD       ARG  22   5.441  -6.124  -2.831
  172    HE   ARG  22           HE       ARG  22   7.259  -7.869  -1.625
  173   HH11  ARG  22          1HH1      ARG  22   4.730  -7.865  -4.139
  174   HH12  ARG  22          2HH1      ARG  22   5.376  -9.208  -4.960
  175   HH21  ARG  22          1HH2      ARG  22   8.122  -9.732  -2.831
  176   HH22  ARG  22          2HH2      ARG  22   7.297 -10.267  -4.232
  177    H    LEU  23           H        LEU  23   5.253  -6.061   1.595
  178    HA   LEU  23           HA       LEU  23   3.919  -6.639   3.893
  179    HB2  LEU  23          2HB       LEU  23   6.350  -7.016   3.380
  180    HB3  LEU  23          1HB       LEU  23   6.653  -5.330   3.676
  181    HG   LEU  23           HG       LEU  23   5.637  -7.226   5.821
  182   HD11  LEU  23          1HD1      LEU  23   8.471  -6.420   5.181
  183   HD12  LEU  23          2HD1      LEU  23   7.772  -8.028   4.975
  184   HD13  LEU  23          3HD1      LEU  23   7.956  -7.347   6.592
  185   HD21  LEU  23          1HD2      LEU  23   7.048  -4.553   6.022
  186   HD22  LEU  23          2HD2      LEU  23   6.513  -5.550   7.374
  187   HD23  LEU  23          3HD2      LEU  23   5.326  -4.817   6.293
  188    H    TRP  24           H        TRP  24   4.905  -3.465   2.684
  189    HA   TRP  24           HA       TRP  24   2.992  -2.323   4.520
  190    HB2  TRP  24          2HB       TRP  24   4.425  -0.446   5.045
  191    HB3  TRP  24          1HB       TRP  24   5.369  -1.896   5.344
  192    HD1  TRP  24           HD       TRP  24   5.234   1.192   3.289
  193    HE1  TRP  24          1HE       TRP  24   7.420   1.401   1.834
  194    HE3  TRP  24          3HE       TRP  24   7.175  -3.410   4.110
  195    HZ2  TRP  24          2HZ       TRP  24   9.613  -0.210   1.172
  196    HZ3  TRP  24          3HZ       TRP  24   9.306  -4.028   3.040
  197    HH2  TRP  24           HH       TRP  24  10.492  -2.455   1.607
  198    H    CYS  25           H        CYS  25   2.270  -0.084   3.568
  199    HA   CYS  25           HA       CYS  25   2.141  -0.349   0.700
  200    HB2  CYS  25          2HB       CYS  25   0.784   1.491   2.664
  201    HB3  CYS  25          1HB       CYS  25   0.717   1.791   0.932
  202    H    LYS  26           H        LYS  26   3.606   0.426  -0.507
  203    HA   LYS  26           HA       LYS  26   5.358   2.560   0.464
  204    HB2  LYS  26          2HB       LYS  26   6.525   0.554  -0.182
  205    HB3  LYS  26          1HB       LYS  26   5.658   0.472  -1.700
  206    HG2  LYS  26          2HG       LYS  26   6.851   2.408  -2.528
  207    HG3  LYS  26          1HG       LYS  26   7.651   2.613  -0.967
  208    HD2  LYS  26          2HD       LYS  26   8.812   0.538  -1.207
  209    HD3  LYS  26          1HD       LYS  26   7.877   0.120  -2.641
  210    HE2  LYS  26          2HE       LYS  26  10.153   0.862  -3.179
  211    HE3  LYS  26          1HE       LYS  26   8.922   1.907  -3.886
  212    HZ1  LYS  26          1HZ       LYS  26  10.464   2.492  -1.417
  213    HZ2  LYS  26          2HZ       LYS  26   9.360   3.534  -2.157
  214    HZ3  LYS  26          3HZ       LYS  26  10.785   3.143  -2.929
  215    H    LYS  27           H        LYS  27   4.976   4.536  -0.293
  216    HA   LYS  27           HA       LYS  27   3.097   4.807  -2.473
  217    HB2  LYS  27          2HB       LYS  27   3.074   7.214  -1.907
  218    HB3  LYS  27          1HB       LYS  27   2.617   6.173  -0.572
  219    HG2  LYS  27          2HG       LYS  27   4.833   6.466   0.416
  220    HG3  LYS  27          1HG       LYS  27   5.298   7.501  -0.939
  221    HD2  LYS  27          2HD       LYS  27   3.552   9.082  -0.361
  222    HD3  LYS  27          1HD       LYS  27   3.007   8.036   0.947
  223    HE2  LYS  27          2HE       LYS  27   5.147   8.324   2.082
  224    HE3  LYS  27          1HE       LYS  27   5.720   9.338   0.760
  225    HZ1  LYS  27          1HZ       LYS  27   4.067  10.967   1.285
  226    HZ2  LYS  27          2HZ       LYS  27   4.908  10.622   2.697
  227    HZ3  LYS  27          3HZ       LYS  27   3.362   9.983   2.449
  228    H    LYS  28           H        LYS  28   3.306   5.943  -4.289
  229    HA   LYS  28           HA       LYS  28   5.869   5.855  -5.527
  230    HB2  LYS  28          2HB       LYS  28   3.207   6.958  -6.422
  231    HB3  LYS  28          1HB       LYS  28   4.644   6.997  -7.424
  232    HG2  LYS  28          2HG       LYS  28   3.345   4.493  -6.359
  233    HG3  LYS  28          1HG       LYS  28   3.123   5.143  -7.985
  234    HD2  LYS  28          2HD       LYS  28   5.563   4.938  -8.354
  235    HD3  LYS  28          1HD       LYS  28   5.716   4.189  -6.766
  236    HE2  LYS  28          2HE       LYS  28   4.266   2.371  -7.471
  237    HE3  LYS  28          1HE       LYS  28   4.062   3.132  -9.047
  238    HZ1  LYS  28          1HZ       LYS  28   6.622   2.126  -7.926
  239    HZ2  LYS  28          2HZ       LYS  28   6.443   2.906  -9.400
  240    HZ3  LYS  28          3HZ       LYS  28   5.722   1.408  -9.160
  241    H    LEU  29           H        LEU  29   7.069   7.567  -6.262
  242    HA   LEU  29           HA       LEU  29   6.703  10.022  -4.704
  243    HB2  LEU  29          2HB       LEU  29   9.156   8.922  -6.072
  244    HB3  LEU  29          1HB       LEU  29   9.100  10.417  -5.165
  245    HG   LEU  29           HG       LEU  29   8.701   7.646  -4.038
  246   HD11  LEU  29          1HD1      LEU  29  10.818   8.065  -2.899
  247   HD12  LEU  29          2HD1      LEU  29  10.958   9.607  -3.752
  248   HD13  LEU  29          3HD1      LEU  29  10.984   8.092  -4.656
  249   HD21  LEU  29          1HD2      LEU  29   8.730   8.764  -1.844
  250   HD22  LEU  29          2HD2      LEU  29   7.350   9.262  -2.816
  251   HD23  LEU  29          3HD2      LEU  29   8.744  10.332  -2.652
  252    H    TRP  30           H        TRP  30   6.041   8.809  -7.576
  253    HA   TRP  30           HA       TRP  30   5.288   9.605  -9.524
  254    HB2  TRP  30          2HB       TRP  30   5.585  12.332  -8.232
  255    HB3  TRP  30          1HB       TRP  30   4.872  12.071  -9.819
  256    HD1  TRP  30           HD       TRP  30   4.181  11.442  -6.095
  257    HE1  TRP  30          1HE       TRP  30   1.666  11.016  -5.784
  258    HE3  TRP  30          3HE       TRP  30   2.787  11.290 -11.002
  259    HZ2  TRP  30          2HZ       TRP  30  -0.623  10.671  -7.413
  260    HZ3  TRP  30          3HZ       TRP  30   0.412  10.908 -11.544
  261    HH2  TRP  30           HH       TRP  30  -1.250  10.605  -9.779
  Start of MODEL    6
    1    H1   TYR   1          1HT       TYR   1 -12.848   0.052   3.612
    2    H2   TYR   1          2HT       TYR   1 -13.174   1.348   2.601
    3    H3   TYR   1          3HT       TYR   1 -13.579   1.459   4.240
    4    HA   TYR   1           HA       TYR   1 -11.623   2.717   3.761
    5    HB2  TYR   1          2HB       TYR   1 -10.976   0.142   5.222
    6    HB3  TYR   1          1HB       TYR   1 -10.051   1.631   5.333
    7    HD1  TYR   1          1HD       TYR   1 -12.727  -0.272   6.699
    8    HD2  TYR   1          2HD       TYR   1 -11.292   3.704   6.234
    9    HE1  TYR   1          1HE       TYR   1 -14.147   0.453   8.554
   10    HE2  TYR   1          2HE       TYR   1 -12.701   4.436   8.076
   11    HH   TYR   1           HH       TYR   1 -14.752   3.706   9.213
   12    H    CYS   2           H        CYS   2  -9.254   2.462   3.339
   13    HA   CYS   2           HA       CYS   2  -8.502   0.344   1.538
   14    HB2  CYS   2          2HB       CYS   2  -9.420   2.215   0.108
   15    HB3  CYS   2          1HB       CYS   2  -8.262   3.296   0.877
   16    H    GLN   3           H        GLN   3  -6.067   0.523   1.321
   17    HA   GLN   3           HA       GLN   3  -5.184   1.112   3.994
   18    HB2  GLN   3          2HB       GLN   3  -3.586  -0.183   1.793
   19    HB3  GLN   3          1HB       GLN   3  -3.149  -0.073   3.477
   20    HG2  GLN   3          2HG       GLN   3  -5.457  -1.626   2.346
   21    HG3  GLN   3          1HG       GLN   3  -3.949  -2.282   2.983
   22   HE21  GLN   3          1HE2      GLN   3  -3.577  -2.197   5.212
   23   HE22  GLN   3          2HE2      GLN   3  -4.880  -1.990   6.324
   24    H    LYS   4           H        LYS   4  -3.921   2.627   4.630
   25    HA   LYS   4           HA       LYS   4  -3.134   4.701   2.743
   26    HB2  LYS   4          2HB       LYS   4  -2.951   4.625   5.753
   27    HB3  LYS   4          1HB       LYS   4  -2.648   6.022   4.728
   28    HG2  LYS   4          2HG       LYS   4  -5.010   6.011   4.039
   29    HG3  LYS   4          1HG       LYS   4  -5.300   4.635   5.106
   30    HD2  LYS   4          2HD       LYS   4  -4.351   7.376   5.969
   31    HD3  LYS   4          1HD       LYS   4  -5.989   6.751   6.154
   32    HE2  LYS   4          2HE       LYS   4  -5.132   4.973   7.619
   33    HE3  LYS   4          1HE       LYS   4  -3.501   5.599   7.432
   34    HZ1  LYS   4          1HZ       LYS   4  -4.471   6.346   9.488
   35    HZ2  LYS   4          2HZ       LYS   4  -5.776   7.021   8.703
   36    HZ3  LYS   4          3HZ       LYS   4  -4.246   7.668   8.488
   37    H    TRP   5           H        TRP   5  -0.941   5.736   3.345
   38    HA   TRP   5           HA       TRP   5   1.055   3.849   2.680
   39    HB2  TRP   5          2HB       TRP   5   2.604   5.759   2.784
   40    HB3  TRP   5          1HB       TRP   5   1.122   6.165   1.924
   41    HD1  TRP   5           HD       TRP   5   3.032   6.954   5.129
   42    HE1  TRP   5          1HE       TRP   5   2.022   9.023   6.225
   43    HE3  TRP   5          3HE       TRP   5  -1.033   7.553   2.088
   44    HZ2  TRP   5          2HZ       TRP   5  -0.209  10.709   5.850
   45    HZ3  TRP   5          3HZ       TRP   5  -2.550   9.426   2.529
   46    HH2  TRP   5           HH       TRP   5  -2.147  10.968   4.359
   47    H    MET   6           H        MET   6  -0.022   5.101   5.721
   48    HA   MET   6           HA       MET   6   2.327   4.282   7.201
   49    HB2  MET   6          2HB       MET   6   0.853   6.158   7.921
   50    HB3  MET   6          1HB       MET   6  -0.435   4.997   8.187
   51    HG2  MET   6          2HG       MET   6   0.975   3.847   9.837
   52    HG3  MET   6          1HG       MET   6   2.195   5.091   9.593
   53    HE1  MET   6          1HE       MET   6  -1.319   4.177  10.963
   54    HE2  MET   6          2HE       MET   6  -1.759   5.411   9.779
   55    HE3  MET   6          3HE       MET   6  -1.967   5.723  11.499
   56    H    TRP   7           H        TRP   7  -0.482   2.963   6.036
   57    HA   TRP   7           HA       TRP   7  -0.580   0.767   7.923
   58    HB2  TRP   7          2HB       TRP   7  -2.392   1.492   5.611
   59    HB3  TRP   7          1HB       TRP   7  -2.566   0.009   6.531
   60    HD1  TRP   7           HD       TRP   7  -1.691   2.598   8.977
   61    HE1  TRP   7          1HE       TRP   7  -3.825   3.550  10.129
   62    HE3  TRP   7          3HE       TRP   7  -5.255   0.733   5.831
   63    HZ2  TRP   7          2HZ       TRP   7  -6.597   3.512   9.729
   64    HZ3  TRP   7          3HZ       TRP   7  -7.607   1.243   6.275
   65    HH2  TRP   7           HH       TRP   7  -8.263   2.600   8.192
   66    H    THR   8           H        THR   8  -1.072  -1.375   6.709
   67    HA   THR   8           HA       THR   8   1.045  -1.731   4.747
   68    HB   THR   8           HB       THR   8   1.614  -3.866   5.933
   69    HG1  THR   8          1HG       THR   8  -0.393  -2.909   7.715
   70   HG21  THR   8          1HG2      THR   8   2.649  -2.896   7.926
   71   HG22  THR   8          2HG2      THR   8   1.572  -1.505   7.826
   72   HG23  THR   8          3HG2      THR   8   2.796  -1.742   6.593
   73    H    CYS   9           H        CYS   9   0.560  -4.006   3.495
   74    HA   CYS   9           HA       CYS   9  -2.351  -4.231   3.607
   75    HB2  CYS   9          2HB       CYS   9  -2.437  -4.617   1.244
   76    HB3  CYS   9          1HB       CYS   9  -1.549  -3.126   1.533
   77    H    ASP  10           H        ASP  10  -2.973  -6.338   2.346
   78    HA   ASP  10           HA       ASP  10  -1.345  -8.606   3.247
   79    HB2  ASP  10          2HB       ASP  10  -4.340  -8.283   3.749
   80    HB3  ASP  10          1HB       ASP  10  -3.431  -9.752   4.019
   81    H    SER  11           H        SER  11  -3.032 -10.552   2.391
   82    HA   SER  11           HA       SER  11  -3.161 -10.247  -0.405
   83    HB2  SER  11          2HB       SER  11  -4.448 -12.510   0.038
   84    HB3  SER  11          1HB       SER  11  -2.703 -12.402   0.307
   85    HG   SER  11           HG       SER  11  -4.441 -13.129   2.066
   86    H    GLU  12           H        GLU  12  -5.384 -10.059   2.261
   87    HA   GLU  12           HA       GLU  12  -7.711  -9.750   0.589
   88    HB2  GLU  12          2HB       GLU  12  -8.919  -9.437   2.742
   89    HB3  GLU  12          1HB       GLU  12  -8.013 -10.941   2.650
   90    HG2  GLU  12          2HG       GLU  12  -6.292 -10.066   4.053
   91    HG3  GLU  12          1HG       GLU  12  -7.007  -8.458   4.005
   92    H    ARG  13           H        ARG  13  -5.694  -7.653   2.601
   93    HA   ARG  13           HA       ARG  13  -7.309  -5.358   1.782
   94    HB2  ARG  13          2HB       ARG  13  -5.069  -5.535   3.808
   95    HB3  ARG  13          1HB       ARG  13  -5.963  -4.075   3.424
   96    HG2  ARG  13          2HG       ARG  13  -8.020  -5.174   4.241
   97    HG3  ARG  13          1HG       ARG  13  -7.049  -6.569   4.714
   98    HD2  ARG  13          2HD       ARG  13  -6.694  -3.754   5.707
   99    HD3  ARG  13          1HD       ARG  13  -7.471  -5.057   6.603
  100    HE   ARG  13           HE       ARG  13  -4.951  -5.997   5.977
  101   HH11  ARG  13          1HH1      ARG  13  -6.194  -3.222   7.804
  102   HH12  ARG  13          2HH1      ARG  13  -4.862  -3.164   8.847
  103   HH21  ARG  13          1HH2      ARG  13  -3.150  -5.880   7.354
  104   HH22  ARG  13          2HH2      ARG  13  -3.076  -4.700   8.576
  105    H    LYS  14           H        LYS  14  -6.625  -4.344  -0.025
  106    HA   LYS  14           HA       LYS  14  -3.771  -4.518  -0.650
  107    HB2  LYS  14          2HB       LYS  14  -6.104  -3.945  -2.484
  108    HB3  LYS  14          1HB       LYS  14  -4.420  -3.951  -2.977
  109    HG2  LYS  14          2HG       LYS  14  -4.264  -6.334  -2.338
  110    HG3  LYS  14          1HG       LYS  14  -5.982  -6.314  -1.946
  111    HD2  LYS  14          2HD       LYS  14  -4.820  -5.694  -4.669
  112    HD3  LYS  14          1HD       LYS  14  -5.494  -7.249  -4.191
  113    HE2  LYS  14          2HE       LYS  14  -7.012  -4.636  -4.253
  114    HE3  LYS  14          1HE       LYS  14  -7.067  -5.879  -5.499
  115    HZ1  LYS  14          1HZ       LYS  14  -7.961  -6.209  -2.679
  116    HZ2  LYS  14          2HZ       LYS  14  -7.935  -7.421  -3.823
  117    HZ3  LYS  14          3HZ       LYS  14  -8.947  -6.098  -4.036
  118    H    CYS  15           H        CYS  15  -2.686  -2.644  -1.398
  119    HA   CYS  15           HA       CYS  15  -3.488  -0.241  -0.046
  120    HB2  CYS  15          2HB       CYS  15  -1.226  -0.648  -2.017
  121    HB3  CYS  15          1HB       CYS  15  -1.394   0.677  -0.870
  122    H    CYS  16           H        CYS  16  -3.880   1.807  -1.078
  123    HA   CYS  16           HA       CYS  16  -5.762   1.614  -3.144
  124    HB2  CYS  16          2HB       CYS  16  -4.266   4.082  -2.259
  125    HB3  CYS  16          1HB       CYS  16  -5.812   4.029  -3.094
  126    H    LYS  17           H        LYS  17  -5.667   2.742  -5.249
  127    HA   LYS  17           HA       LYS  17  -3.431   2.012  -6.784
  128    HB2  LYS  17          2HB       LYS  17  -5.668   3.951  -7.435
  129    HB3  LYS  17          1HB       LYS  17  -4.489   3.342  -8.590
  130    HG2  LYS  17          2HG       LYS  17  -5.294   1.079  -8.252
  131    HG3  LYS  17          1HG       LYS  17  -6.463   1.659  -7.071
  132    HD2  LYS  17          2HD       LYS  17  -7.563   1.311  -9.198
  133    HD3  LYS  17          1HD       LYS  17  -7.527   3.031  -8.834
  134    HE2  LYS  17          2HE       LYS  17  -7.016   2.654 -11.179
  135    HE3  LYS  17          1HE       LYS  17  -5.599   3.289 -10.355
  136    HZ1  LYS  17          1HZ       LYS  17  -4.720   1.022 -10.245
  137    HZ2  LYS  17          2HZ       LYS  17  -4.986   1.516 -11.808
  138    HZ3  LYS  17          3HZ       LYS  17  -6.072   0.445 -11.083
  139    H    GLY  18           H        GLY  18  -1.622   3.033  -7.221
  140    HA2  GLY  18          2HA       GLY  18  -0.319   5.072  -7.506
  141    HA3  GLY  18          1HA       GLY  18  -1.295   5.801  -6.229
  142    H    MET  19           H        MET  19  -1.038   2.881  -5.141
  143    HA   MET  19           HA       MET  19   1.614   3.150  -3.910
  144    HB2  MET  19          2HB       MET  19  -0.973   2.197  -2.666
  145    HB3  MET  19          1HB       MET  19   0.605   2.022  -1.922
  146    HG2  MET  19          2HG       MET  19   0.839   4.356  -1.720
  147    HG3  MET  19          1HG       MET  19  -0.663   4.661  -2.616
  148    HE1  MET  19          1HE       MET  19  -1.723   6.155  -0.738
  149    HE2  MET  19          2HE       MET  19  -0.184   6.049   0.115
  150    HE3  MET  19          3HE       MET  19  -1.695   5.742   0.977
  151    H    VAL  20           H        VAL  20   2.516   1.094  -3.338
  152    HA   VAL  20           HA       VAL  20   1.409  -1.083  -4.943
  153    HB   VAL  20           HB       VAL  20   3.732  -0.440  -5.588
  154   HG11  VAL  20          1HG1      VAL  20   5.624  -0.883  -4.106
  155   HG12  VAL  20          2HG1      VAL  20   4.498  -1.237  -2.795
  156   HG13  VAL  20          3HG1      VAL  20   4.563   0.384  -3.487
  157   HG21  VAL  20          1HG2      VAL  20   3.055  -2.741  -5.937
  158   HG22  VAL  20          2HG2      VAL  20   3.542  -3.159  -4.295
  159   HG23  VAL  20          3HG2      VAL  20   4.758  -2.677  -5.481
  160    H    CYS  21           H        CYS  21   0.847  -2.928  -4.001
  161    HA   CYS  21           HA       CYS  21   0.517  -2.912  -1.166
  162    HB2  CYS  21          2HB       CYS  21  -1.180  -3.854  -2.753
  163    HB3  CYS  21          1HB       CYS  21  -0.033  -5.114  -3.181
  164    H    ARG  22           H        ARG  22   2.086  -3.426   0.136
  165    HA   ARG  22           HA       ARG  22   3.901  -5.590  -0.502
  166    HB2  ARG  22          2HB       ARG  22   4.725  -3.169  -1.180
  167    HB3  ARG  22          1HB       ARG  22   4.924  -2.948   0.543
  168    HG2  ARG  22          2HG       ARG  22   7.052  -3.523  -0.158
  169    HG3  ARG  22          1HG       ARG  22   6.427  -5.071   0.395
  170    HD2  ARG  22          2HD       ARG  22   6.517  -4.114  -2.470
  171    HD3  ARG  22          1HD       ARG  22   7.611  -5.276  -1.735
  172    HE   ARG  22           HE       ARG  22   5.148  -6.354  -1.365
  173   HH11  ARG  22          1HH1      ARG  22   6.952  -5.274  -4.209
  174   HH12  ARG  22          2HH1      ARG  22   6.226  -6.382  -5.269
  175   HH21  ARG  22          1HH2      ARG  22   4.098  -7.829  -2.830
  176   HH22  ARG  22          2HH2      ARG  22   4.557  -7.873  -4.469
  177    H    LEU  23           H        LEU  23   5.454  -5.451   1.721
  178    HA   LEU  23           HA       LEU  23   4.008  -6.220   3.937
  179    HB2  LEU  23          2HB       LEU  23   6.733  -4.937   3.893
  180    HB3  LEU  23          1HB       LEU  23   6.073  -5.886   5.208
  181    HG   LEU  23           HG       LEU  23   6.754  -6.908   2.455
  182   HD11  LEU  23          1HD1      LEU  23   8.075  -7.338   5.120
  183   HD12  LEU  23          2HD1      LEU  23   8.710  -6.400   3.767
  184   HD13  LEU  23          3HD1      LEU  23   8.503  -8.144   3.613
  185   HD21  LEU  23          1HD2      LEU  23   5.714  -8.375   4.884
  186   HD22  LEU  23          2HD2      LEU  23   6.297  -9.134   3.404
  187   HD23  LEU  23          3HD2      LEU  23   4.852  -8.128   3.364
  188    H    TRP  24           H        TRP  24   4.666  -3.049   2.776
  189    HA   TRP  24           HA       TRP  24   2.843  -2.069   4.708
  190    HB2  TRP  24          2HB       TRP  24   4.139  -0.127   5.329
  191    HB3  TRP  24          1HB       TRP  24   5.219  -1.499   5.526
  192    HD1  TRP  24           HD       TRP  24   4.649   1.577   3.559
  193    HE1  TRP  24          1HE       TRP  24   6.769   2.133   2.094
  194    HE3  TRP  24          3HE       TRP  24   7.245  -2.689   4.351
  195    HZ2  TRP  24          2HZ       TRP  24   9.204   0.849   1.441
  196    HZ3  TRP  24          3HZ       TRP  24   9.446  -2.981   3.299
  197    HH2  TRP  24           HH       TRP  24  10.401  -1.241   1.874
  198    H    CYS  25           H        CYS  25   1.929   0.097   3.726
  199    HA   CYS  25           HA       CYS  25   1.825  -0.314   0.887
  200    HB2  CYS  25          2HB       CYS  25   0.381   1.612   2.691
  201    HB3  CYS  25          1HB       CYS  25   0.195   1.613   0.937
  202    H    LYS  26           H        LYS  26   3.145   0.475  -0.430
  203    HA   LYS  26           HA       LYS  26   4.763   2.770   0.390
  204    HB2  LYS  26          2HB       LYS  26   6.065   0.764   0.120
  205    HB3  LYS  26          1HB       LYS  26   5.350   0.453  -1.450
  206    HG2  LYS  26          2HG       LYS  26   6.447   2.415  -2.355
  207    HG3  LYS  26          1HG       LYS  26   7.127   2.781  -0.774
  208    HD2  LYS  26          2HD       LYS  26   8.363   0.678  -0.807
  209    HD3  LYS  26          1HD       LYS  26   7.631   0.265  -2.358
  210    HE2  LYS  26          2HE       LYS  26   8.692   2.202  -3.383
  211    HE3  LYS  26          1HE       LYS  26   9.412   2.636  -1.835
  212    HZ1  LYS  26          1HZ       LYS  26  10.943   1.424  -3.321
  213    HZ2  LYS  26          2HZ       LYS  26   9.917   0.084  -3.251
  214    HZ3  LYS  26          3HZ       LYS  26  10.679   0.622  -1.863
  215    H    LYS  27           H        LYS  27   4.764   4.522  -0.868
  216    HA   LYS  27           HA       LYS  27   2.769   4.711  -2.905
  217    HB2  LYS  27          2HB       LYS  27   3.532   7.040  -3.143
  218    HB3  LYS  27          1HB       LYS  27   3.142   6.607  -1.487
  219    HG2  LYS  27          2HG       LYS  27   5.511   6.415  -0.972
  220    HG3  LYS  27          1HG       LYS  27   5.916   6.777  -2.651
  221    HD2  LYS  27          2HD       LYS  27   4.869   8.976  -2.432
  222    HD3  LYS  27          1HD       LYS  27   4.450   8.616  -0.757
  223    HE2  LYS  27          2HE       LYS  27   6.813   8.397  -0.211
  224    HE3  LYS  27          1HE       LYS  27   7.232   8.740  -1.888
  225    HZ1  LYS  27          1HZ       LYS  27   6.167  10.921  -1.622
  226    HZ2  LYS  27          2HZ       LYS  27   7.483  10.672  -0.591
  227    HZ3  LYS  27          3HZ       LYS  27   5.923  10.588   0.028
  228    H    LYS  28           H        LYS  28   3.076   5.112  -5.074
  229    HA   LYS  28           HA       LYS  28   5.567   4.048  -6.117
  230    HB2  LYS  28          2HB       LYS  28   3.258   3.309  -6.957
  231    HB3  LYS  28          1HB       LYS  28   3.095   4.904  -7.654
  232    HG2  LYS  28          2HG       LYS  28   3.764   3.346  -9.363
  233    HG3  LYS  28          1HG       LYS  28   5.077   4.483  -9.062
  234    HD2  LYS  28          2HD       LYS  28   6.001   2.262  -9.287
  235    HD3  LYS  28          1HD       LYS  28   6.167   2.769  -7.614
  236    HE2  LYS  28          2HE       LYS  28   5.464   0.467  -7.660
  237    HE3  LYS  28          1HE       LYS  28   4.120   1.433  -7.070
  238    HZ1  LYS  28          1HZ       LYS  28   4.444   0.349  -9.815
  239    HZ2  LYS  28          2HZ       LYS  28   3.146   1.316  -9.331
  240    HZ3  LYS  28          3HZ       LYS  28   3.363  -0.199  -8.653
  241    H    LEU  29           H        LEU  29   7.128   5.344  -6.889
  242    HA   LEU  29           HA       LEU  29   6.697   8.195  -6.697
  243    HB2  LEU  29          2HB       LEU  29   9.200   6.584  -7.232
  244    HB3  LEU  29          1HB       LEU  29   9.164   8.327  -7.216
  245    HG   LEU  29           HG       LEU  29  10.095   7.601  -5.165
  246   HD11  LEU  29          1HD1      LEU  29   8.631   8.562  -3.515
  247   HD12  LEU  29          2HD1      LEU  29   7.275   8.455  -4.633
  248   HD13  LEU  29          3HD1      LEU  29   8.642   9.509  -5.002
  249   HD21  LEU  29          1HD2      LEU  29   9.271   5.312  -5.095
  250   HD22  LEU  29          2HD2      LEU  29   7.645   5.891  -4.737
  251   HD23  LEU  29          3HD2      LEU  29   8.945   6.135  -3.569
  252    H    TRP  30           H        TRP  30   7.200   5.763  -9.101
  253    HA   TRP  30           HA       TRP  30   6.749   7.800 -11.144
  254    HB2  TRP  30          2HB       TRP  30   8.681   5.475 -11.320
  255    HB3  TRP  30          1HB       TRP  30   8.257   6.538 -12.656
  256    HD1  TRP  30           HD       TRP  30  10.450   6.336  -9.571
  257    HE1  TRP  30          1HE       TRP  30  12.019   8.387  -9.507
  258    HE3  TRP  30          3HE       TRP  30   8.375   9.069 -13.355
  259    HZ2  TRP  30          2HZ       TRP  30  12.316  10.837 -10.870
  260    HZ3  TRP  30          3HZ       TRP  30   9.358  11.252 -13.909
  261    HH2  TRP  30           HH       TRP  30  11.288  12.111 -12.687
  Start of MODEL    7
    1    H1   TYR   1          1HT       TYR   1 -13.031   0.969   4.407
    2    H2   TYR   1          2HT       TYR   1 -11.455   1.568   4.394
    3    H3   TYR   1          3HT       TYR   1 -11.765  -0.016   3.933
    4    HA   TYR   1           HA       TYR   1 -12.996   0.648   2.038
    5    HB2  TYR   1          2HB       TYR   1 -12.220   3.469   2.837
    6    HB3  TYR   1          1HB       TYR   1 -12.963   3.011   1.320
    7    HD1  TYR   1          1HD       TYR   1 -13.510   3.766   4.822
    8    HD2  TYR   1          2HD       TYR   1 -15.331   2.247   1.289
    9    HE1  TYR   1          1HE       TYR   1 -15.710   4.157   5.801
   10    HE2  TYR   1          2HE       TYR   1 -17.546   2.634   2.264
   11    HH   TYR   1           HH       TYR   1 -18.041   4.554   4.940
   12    H    CYS   2           H        CYS   2 -10.101   2.494   3.090
   13    HA   CYS   2           HA       CYS   2  -8.698   1.391   0.793
   14    HB2  CYS   2          2HB       CYS   2  -9.530   3.627   0.202
   15    HB3  CYS   2          1HB       CYS   2  -8.820   4.281   1.672
   16    H    GLN   3           H        GLN   3  -6.383   1.635   1.077
   17    HA   GLN   3           HA       GLN   3  -5.589   1.530   3.898
   18    HB2  GLN   3          2HB       GLN   3  -4.227   0.290   1.504
   19    HB3  GLN   3          1HB       GLN   3  -3.581   0.273   3.129
   20    HG2  GLN   3          2HG       GLN   3  -6.099  -1.090   2.201
   21    HG3  GLN   3          1HG       GLN   3  -4.561  -1.865   2.573
   22   HE21  GLN   3          1HE2      GLN   3  -3.890  -1.991   4.774
   23   HE22  GLN   3          2HE2      GLN   3  -5.039  -1.834   6.034
   24    H    LYS   4           H        LYS   4  -4.107   2.971   4.546
   25    HA   LYS   4           HA       LYS   4  -3.197   4.922   2.602
   26    HB2  LYS   4          2HB       LYS   4  -2.965   4.870   5.605
   27    HB3  LYS   4          1HB       LYS   4  -2.353   6.157   4.580
   28    HG2  LYS   4          2HG       LYS   4  -4.659   6.573   3.820
   29    HG3  LYS   4          1HG       LYS   4  -5.225   5.364   4.980
   30    HD2  LYS   4          2HD       LYS   4  -4.235   6.676   6.800
   31    HD3  LYS   4          1HD       LYS   4  -3.685   7.877   5.632
   32    HE2  LYS   4          2HE       LYS   4  -6.051   8.253   4.985
   33    HE3  LYS   4          1HE       LYS   4  -6.531   7.128   6.255
   34    HZ1  LYS   4          1HZ       LYS   4  -5.055   9.663   6.656
   35    HZ2  LYS   4          2HZ       LYS   4  -5.504   8.602   7.883
   36    HZ3  LYS   4          3HZ       LYS   4  -6.683   9.416   6.995
   37    H    TRP   5           H        TRP   5  -1.024   5.650   2.724
   38    HA   TRP   5           HA       TRP   5   0.922   3.674   2.293
   39    HB2  TRP   5          2HB       TRP   5   2.486   5.581   2.202
   40    HB3  TRP   5          1HB       TRP   5   1.017   5.902   1.280
   41    HD1  TRP   5           HD       TRP   5   3.040   7.174   4.211
   42    HE1  TRP   5          1HE       TRP   5   1.942   9.295   5.171
   43    HE3  TRP   5          3HE       TRP   5  -1.369   7.108   1.590
   44    HZ2  TRP   5          2HZ       TRP   5  -0.447  10.734   4.866
   45    HZ3  TRP   5          3HZ       TRP   5  -2.988   8.894   2.004
   46    HH2  TRP   5           HH       TRP   5  -2.527  10.667   3.601
   47    H    MET   6           H        MET   6  -0.077   5.386   5.093
   48    HA   MET   6           HA       MET   6   2.211   4.821   6.725
   49    HB2  MET   6          2HB       MET   6   0.879   5.749   8.562
   50    HB3  MET   6          1HB       MET   6   0.842   6.806   7.158
   51    HG2  MET   6          2HG       MET   6  -1.368   5.915   6.581
   52    HG3  MET   6          1HG       MET   6  -1.331   4.910   8.025
   53    HE1  MET   6          1HE       MET   6   0.037   6.953  10.135
   54    HE2  MET   6          2HE       MET   6  -1.340   5.915  10.511
   55    HE3  MET   6          3HE       MET   6  -1.413   7.641  10.863
   56    H    TRP   7           H        TRP   7  -0.336   2.956   5.620
   57    HA   TRP   7           HA       TRP   7  -0.201   1.196   7.940
   58    HB2  TRP   7          2HB       TRP   7  -2.333   1.311   5.778
   59    HB3  TRP   7          1HB       TRP   7  -2.334   0.215   7.149
   60    HD1  TRP   7           HD       TRP   7  -1.433   2.813   9.155
   61    HE1  TRP   7          1HE       TRP   7  -3.353   4.375   9.889
   62    HE3  TRP   7          3HE       TRP   7  -4.897   1.512   5.684
   63    HZ2  TRP   7          2HZ       TRP   7  -6.002   4.953   9.097
   64    HZ3  TRP   7          3HZ       TRP   7  -7.112   2.607   5.731
   65    HH2  TRP   7           HH       TRP   7  -7.640   4.288   7.418
   66    H    THR   8           H        THR   8  -0.991  -1.127   6.750
   67    HA   THR   8           HA       THR   8   1.135  -1.536   4.802
   68    HB   THR   8           HB       THR   8   1.547  -3.746   5.921
   69    HG1  THR   8          1HG       THR   8  -0.273  -2.711   7.865
   70   HG21  THR   8          1HG2      THR   8   2.921  -1.774   6.577
   71   HG22  THR   8          2HG2      THR   8   2.681  -2.880   7.924
   72   HG23  THR   8          3HG2      THR   8   1.740  -1.394   7.826
   73    H    CYS   9           H        CYS   9   0.626  -3.909   3.541
   74    HA   CYS   9           HA       CYS   9  -2.195  -4.394   3.752
   75    HB2  CYS   9          2HB       CYS   9  -2.520  -4.374   1.323
   76    HB3  CYS   9          1HB       CYS   9  -2.050  -2.797   1.934
   77    H    ASP  10           H        ASP  10  -2.643  -6.296   1.990
   78    HA   ASP  10           HA       ASP  10  -0.628  -8.325   2.005
   79    HB2  ASP  10          2HB       ASP  10  -1.477  -8.326   4.396
   80    HB3  ASP  10          1HB       ASP  10  -3.093  -8.618   3.774
   81    H    SER  11           H        SER  11  -2.547 -10.468   1.678
   82    HA   SER  11           HA       SER  11  -3.574  -9.806  -0.900
   83    HB2  SER  11          2HB       SER  11  -3.915 -12.315   0.752
   84    HB3  SER  11          1HB       SER  11  -4.107 -12.153  -0.997
   85    HG   SER  11           HG       SER  11  -2.028 -13.010  -0.151
   86    H    GLU  12           H        GLU  12  -4.730 -10.163   2.377
   87    HA   GLU  12           HA       GLU  12  -7.483 -10.108   1.589
   88    HB2  GLU  12          2HB       GLU  12  -7.990  -9.977   4.027
   89    HB3  GLU  12          1HB       GLU  12  -6.971 -11.335   3.601
   90    HG2  GLU  12          2HG       GLU  12  -5.018 -10.146   4.437
   91    HG3  GLU  12          1HG       GLU  12  -6.028  -8.752   4.810
   92    H    ARG  13           H        ARG  13  -5.284  -7.744   3.102
   93    HA   ARG  13           HA       ARG  13  -7.230  -5.674   2.420
   94    HB2  ARG  13          2HB       ARG  13  -4.717  -5.566   4.068
   95    HB3  ARG  13          1HB       ARG  13  -5.588  -4.129   3.578
   96    HG2  ARG  13          2HG       ARG  13  -6.674  -6.355   5.236
   97    HG3  ARG  13          1HG       ARG  13  -6.043  -4.834   5.891
   98    HD2  ARG  13          2HD       ARG  13  -8.404  -4.565   5.855
   99    HD3  ARG  13          1HD       ARG  13  -7.838  -3.713   4.421
  100    HE   ARG  13           HE       ARG  13  -8.525  -6.463   4.012
  101   HH11  ARG  13          1HH1      ARG  13  -9.795  -3.138   3.891
  102   HH12  ARG  13          2HH1      ARG  13 -11.091  -3.525   2.885
  103   HH21  ARG  13          1HH2      ARG  13 -10.247  -6.969   2.617
  104   HH22  ARG  13          2HH2      ARG  13 -11.372  -5.789   2.117
  105    H    LYS  14           H        LYS  14  -7.057  -4.964   0.502
  106    HA   LYS  14           HA       LYS  14  -4.483  -5.013  -0.846
  107    HB2  LYS  14          2HB       LYS  14  -7.229  -4.321  -1.870
  108    HB3  LYS  14          1HB       LYS  14  -5.767  -4.222  -2.840
  109    HG2  LYS  14          2HG       LYS  14  -6.745  -6.702  -1.500
  110    HG3  LYS  14          1HG       LYS  14  -7.070  -6.287  -3.199
  111    HD2  LYS  14          2HD       LYS  14  -4.638  -6.274  -3.608
  112    HD3  LYS  14          1HD       LYS  14  -4.360  -6.713  -1.924
  113    HE2  LYS  14          2HE       LYS  14  -4.196  -8.656  -3.384
  114    HE3  LYS  14          1HE       LYS  14  -5.540  -8.813  -2.258
  115    HZ1  LYS  14          1HZ       LYS  14  -6.108  -9.511  -4.498
  116    HZ2  LYS  14          2HZ       LYS  14  -5.793  -7.966  -5.097
  117    HZ3  LYS  14          3HZ       LYS  14  -7.059  -8.217  -4.021
  118    H    CYS  15           H        CYS  15  -3.388  -3.359  -1.396
  119    HA   CYS  15           HA       CYS  15  -4.013  -0.908   0.003
  120    HB2  CYS  15          2HB       CYS  15  -1.660  -1.934  -0.123
  121    HB3  CYS  15          1HB       CYS  15  -1.606  -1.321  -1.768
  122    H    CYS  16           H        CYS  16  -3.981   1.152  -1.082
  123    HA   CYS  16           HA       CYS  16  -5.628   0.968  -3.423
  124    HB2  CYS  16          2HB       CYS  16  -4.770   3.352  -1.810
  125    HB3  CYS  16          1HB       CYS  16  -6.078   3.300  -2.992
  126    H    LYS  17           H        LYS  17  -5.303   2.312  -5.258
  127    HA   LYS  17           HA       LYS  17  -2.733   2.060  -6.346
  128    HB2  LYS  17          2HB       LYS  17  -5.090   3.682  -7.320
  129    HB3  LYS  17          1HB       LYS  17  -3.661   3.299  -8.276
  130    HG2  LYS  17          2HG       LYS  17  -4.170   0.897  -8.040
  131    HG3  LYS  17          1HG       LYS  17  -5.627   1.316  -7.151
  132    HD2  LYS  17          2HD       LYS  17  -5.025   2.107  -9.998
  133    HD3  LYS  17          1HD       LYS  17  -6.078   0.780  -9.515
  134    HE2  LYS  17          2HE       LYS  17  -7.516   2.431  -8.328
  135    HE3  LYS  17          1HE       LYS  17  -6.488   3.716  -8.958
  136    HZ1  LYS  17          1HZ       LYS  17  -7.072   3.042 -11.194
  137    HZ2  LYS  17          2HZ       LYS  17  -8.468   3.394 -10.328
  138    HZ3  LYS  17          3HZ       LYS  17  -8.027   1.798 -10.608
  139    H    GLY  18           H        GLY  18  -1.198   3.568  -6.830
  140    HA2  GLY  18          2HA       GLY  18  -0.336   5.810  -6.698
  141    HA3  GLY  18          1HA       GLY  18  -1.329   6.042  -5.251
  142    H    MET  19           H        MET  19  -0.789   3.218  -4.497
  143    HA   MET  19           HA       MET  19   1.996   3.446  -3.675
  144    HB2  MET  19          2HB       MET  19  -0.331   2.333  -2.075
  145    HB3  MET  19          1HB       MET  19   1.350   2.102  -1.651
  146    HG2  MET  19          2HG       MET  19   0.630   3.839  -0.258
  147    HG3  MET  19          1HG       MET  19   1.518   4.625  -1.542
  148    HE1  MET  19          1HE       MET  19  -2.170   3.187  -1.676
  149    HE2  MET  19          2HE       MET  19  -3.070   4.630  -1.217
  150    HE3  MET  19          3HE       MET  19  -1.997   3.856  -0.053
  151    H    VAL  20           H        VAL  20   2.837   1.299  -3.124
  152    HA   VAL  20           HA       VAL  20   1.883  -0.732  -5.018
  153    HB   VAL  20           HB       VAL  20   4.535  -0.609  -3.543
  154   HG11  VAL  20          1HG1      VAL  20   3.658  -2.301  -5.872
  155   HG12  VAL  20          2HG1      VAL  20   3.953  -2.845  -4.222
  156   HG13  VAL  20          3HG1      VAL  20   5.291  -2.255  -5.208
  157   HG21  VAL  20          1HG2      VAL  20   4.435   1.297  -5.013
  158   HG22  VAL  20          2HG2      VAL  20   3.936   0.277  -6.363
  159   HG23  VAL  20          3HG2      VAL  20   5.556   0.108  -5.680
  160    H    CYS  21           H        CYS  21   1.082  -2.580  -4.142
  161    HA   CYS  21           HA       CYS  21   0.772  -2.611  -1.292
  162    HB2  CYS  21          2HB       CYS  21  -1.017  -3.359  -2.989
  163    HB3  CYS  21          1HB       CYS  21  -0.042  -4.814  -3.182
  164    H    ARG  22           H        ARG  22   1.785  -3.926   0.102
  165    HA   ARG  22           HA       ARG  22   3.563  -5.995  -0.630
  166    HB2  ARG  22          2HB       ARG  22   4.690  -3.746  -1.312
  167    HB3  ARG  22          1HB       ARG  22   4.761  -3.406   0.403
  168    HG2  ARG  22          2HG       ARG  22   6.882  -4.191  -0.393
  169    HG3  ARG  22          1HG       ARG  22   6.208  -5.388   0.705
  170    HD2  ARG  22          2HD       ARG  22   5.491  -6.750  -1.173
  171    HD3  ARG  22          1HD       ARG  22   6.019  -5.504  -2.302
  172    HE   ARG  22           HE       ARG  22   8.217  -6.083  -0.831
  173   HH11  ARG  22          1HH1      ARG  22   6.032  -8.068  -2.764
  174   HH12  ARG  22          2HH1      ARG  22   7.248  -9.121  -3.322
  175   HH21  ARG  22          1HH2      ARG  22   9.902  -7.532  -1.602
  176   HH22  ARG  22          2HH2      ARG  22   9.504  -8.790  -2.660
  177    H    LEU  23           H        LEU  23   4.991  -6.161   1.631
  178    HA   LEU  23           HA       LEU  23   3.439  -6.724   3.791
  179    HB2  LEU  23          2HB       LEU  23   5.789  -7.343   3.615
  180    HB3  LEU  23          1HB       LEU  23   6.277  -5.675   3.783
  181    HG   LEU  23           HG       LEU  23   5.376  -5.695   6.107
  182   HD11  LEU  23          1HD1      LEU  23   5.012  -8.643   5.607
  183   HD12  LEU  23          2HD1      LEU  23   3.729  -7.464   5.885
  184   HD13  LEU  23          3HD1      LEU  23   4.877  -7.838   7.169
  185   HD21  LEU  23          1HD2      LEU  23   7.192  -7.038   7.054
  186   HD22  LEU  23          2HD2      LEU  23   7.744  -6.070   5.687
  187   HD23  LEU  23          3HD2      LEU  23   7.447  -7.797   5.482
  188    H    TRP  24           H        TRP  24   4.615  -3.587   2.787
  189    HA   TRP  24           HA       TRP  24   2.779  -2.393   4.654
  190    HB2  TRP  24          2HB       TRP  24   4.319  -0.572   5.175
  191    HB3  TRP  24          1HB       TRP  24   5.129  -2.089   5.533
  192    HD1  TRP  24           HD       TRP  24   5.325   0.960   3.459
  193    HE1  TRP  24          1HE       TRP  24   7.546   0.969   2.060
  194    HE3  TRP  24          3HE       TRP  24   6.814  -3.794   4.338
  195    HZ2  TRP  24          2HZ       TRP  24   9.604  -0.859   1.444
  196    HZ3  TRP  24          3HZ       TRP  24   8.905  -4.620   3.318
  197    HH2  TRP  24           HH       TRP  24  10.264  -3.172   1.903
  198    H    CYS  25           H        CYS  25   2.092  -0.142   3.714
  199    HA   CYS  25           HA       CYS  25   1.966  -0.413   0.858
  200    HB2  CYS  25          2HB       CYS  25   0.732   1.533   2.792
  201    HB3  CYS  25          1HB       CYS  25   0.682   1.818   1.055
  202    H    LYS  26           H        LYS  26   3.475   0.218  -0.377
  203    HA   LYS  26           HA       LYS  26   5.387   2.214   0.537
  204    HB2  LYS  26          2HB       LYS  26   6.245   0.086  -0.285
  205    HB3  LYS  26          1HB       LYS  26   5.428   0.327  -1.821
  206    HG2  LYS  26          2HG       LYS  26   6.845   2.324  -2.212
  207    HG3  LYS  26          1HG       LYS  26   7.705   1.966  -0.716
  208    HD2  LYS  26          2HD       LYS  26   7.528   0.167  -3.135
  209    HD3  LYS  26          1HD       LYS  26   8.924   1.140  -2.677
  210    HE2  LYS  26          2HE       LYS  26   9.059  -0.133  -0.553
  211    HE3  LYS  26          1HE       LYS  26   7.728  -1.145  -1.107
  212    HZ1  LYS  26          1HZ       LYS  26   9.864  -2.175  -1.496
  213    HZ2  LYS  26          2HZ       LYS  26  10.361  -0.892  -2.452
  214    HZ3  LYS  26          3HZ       LYS  26   9.095  -1.876  -2.955
  215    H    LYS  27           H        LYS  27   5.192   4.259  -0.196
  216    HA   LYS  27           HA       LYS  27   3.268   5.015  -2.157
  217    HB2  LYS  27          2HB       LYS  27   5.597   6.562  -1.079
  218    HB3  LYS  27          1HB       LYS  27   4.334   7.240  -2.065
  219    HG2  LYS  27          2HG       LYS  27   2.660   6.748  -0.360
  220    HG3  LYS  27          1HG       LYS  27   3.905   6.022   0.653
  221    HD2  LYS  27          2HD       LYS  27   3.352   8.303   1.381
  222    HD3  LYS  27          1HD       LYS  27   5.028   8.171   0.860
  223    HE2  LYS  27          2HE       LYS  27   4.004  10.239   0.054
  224    HE3  LYS  27          1HE       LYS  27   4.460   9.194  -1.281
  225    HZ1  LYS  27          1HZ       LYS  27   2.091   8.531  -1.477
  226    HZ2  LYS  27          2HZ       LYS  27   2.347  10.162  -1.671
  227    HZ3  LYS  27          3HZ       LYS  27   1.692   9.613  -0.228
  228    H    LYS  28           H        LYS  28   3.481   5.348  -4.231
  229    HA   LYS  28           HA       LYS  28   6.094   4.702  -5.385
  230    HB2  LYS  28          2HB       LYS  28   4.186   3.120  -5.915
  231    HB3  LYS  28          1HB       LYS  28   3.437   4.443  -6.797
  232    HG2  LYS  28          2HG       LYS  28   5.408   4.566  -8.263
  233    HG3  LYS  28          1HG       LYS  28   6.113   3.201  -7.400
  234    HD2  LYS  28          2HD       LYS  28   4.114   1.855  -8.041
  235    HD3  LYS  28          1HD       LYS  28   3.575   3.217  -9.023
  236    HE2  LYS  28          2HE       LYS  28   6.143   1.665  -9.360
  237    HE3  LYS  28          1HE       LYS  28   4.725   1.568 -10.395
  238    HZ1  LYS  28          1HZ       LYS  28   6.475   3.967 -10.051
  239    HZ2  LYS  28          2HZ       LYS  28   5.096   3.903 -11.026
  240    HZ3  LYS  28          3HZ       LYS  28   6.421   2.933 -11.370
  241    H    LEU  29           H        LEU  29   6.840   6.715  -5.318
  242    HA   LEU  29           HA       LEU  29   5.471   8.839  -6.794
  243    HB2  LEU  29          2HB       LEU  29   6.434   9.272  -4.536
  244    HB3  LEU  29          1HB       LEU  29   8.018   8.875  -5.163
  245    HG   LEU  29           HG       LEU  29   7.810  10.813  -6.726
  246   HD11  LEU  29          1HD1      LEU  29   6.136  12.520  -6.242
  247   HD12  LEU  29          2HD1      LEU  29   5.381  11.449  -5.067
  248   HD13  LEU  29          3HD1      LEU  29   5.391  11.014  -6.775
  249   HD21  LEU  29          1HD2      LEU  29   7.609  11.421  -3.783
  250   HD22  LEU  29          2HD2      LEU  29   8.264  12.492  -5.025
  251   HD23  LEU  29          3HD2      LEU  29   9.074  10.969  -4.658
  252    H    TRP  30           H        TRP  30   7.889   6.499  -6.994
  253    HA   TRP  30           HA       TRP  30   9.333   7.691  -9.205
  254    HB2  TRP  30          2HB       TRP  30  10.526   6.464  -7.388
  255    HB3  TRP  30          1HB       TRP  30   9.629   5.016  -7.801
  256    HD1  TRP  30           HD       TRP  30  10.317   3.808 -10.160
  257    HE1  TRP  30          1HE       TRP  30  12.548   3.811 -11.441
  258    HE3  TRP  30          3HE       TRP  30  12.503   7.865  -7.963
  259    HZ2  TRP  30          2HZ       TRP  30  14.923   5.331 -11.506
  260    HZ3  TRP  30          3HZ       TRP  30  14.757   8.522  -8.683
  261    HH2  TRP  30           HH       TRP  30  15.941   7.276 -10.421
  Start of MODEL    8
    1    H1   TYR   1          1HT       TYR   1 -11.673  -0.921   3.299
    2    H2   TYR   1          2HT       TYR   1 -12.450   0.362   4.058
    3    H3   TYR   1          3HT       TYR   1 -10.821   0.012   4.391
    4    HA   TYR   1           HA       TYR   1 -11.841   0.897   1.790
    5    HB2  TYR   1          2HB       TYR   1 -10.201   2.347   3.894
    6    HB3  TYR   1          1HB       TYR   1 -10.499   2.949   2.271
    7    HD1  TYR   1          1HD       TYR   1 -11.685   2.858   5.631
    8    HD2  TYR   1          2HD       TYR   1 -12.960   3.302   1.594
    9    HE1  TYR   1          1HE       TYR   1 -13.765   3.890   6.400
   10    HE2  TYR   1          2HE       TYR   1 -15.031   4.337   2.356
   11    HH   TYR   1           HH       TYR   1 -15.504   5.515   5.380
   12    H    CYS   2           H        CYS   2  -9.506   1.981   0.879
   13    HA   CYS   2           HA       CYS   2  -7.874  -0.359   0.626
   14    HB2  CYS   2          2HB       CYS   2  -6.560   1.002  -0.971
   15    HB3  CYS   2          1HB       CYS   2  -8.264   0.952  -1.389
   16    H    GLN   3           H        GLN   3  -5.613  -0.296   1.049
   17    HA   GLN   3           HA       GLN   3  -5.189   0.898   3.607
   18    HB2  GLN   3          2HB       GLN   3  -3.338  -0.863   1.993
   19    HB3  GLN   3          1HB       GLN   3  -3.109  -0.365   3.654
   20    HG2  GLN   3          2HG       GLN   3  -5.415  -1.990   2.660
   21    HG3  GLN   3          1HG       GLN   3  -3.982  -2.635   3.458
   22   HE21  GLN   3          1HE2      GLN   3  -3.646  -2.084   5.626
   23   HE22  GLN   3          2HE2      GLN   3  -4.958  -1.613   6.660
   24    H    LYS   4           H        LYS   4  -3.974   2.532   4.072
   25    HA   LYS   4           HA       LYS   4  -3.011   4.179   1.910
   26    HB2  LYS   4          2HB       LYS   4  -3.183   4.680   4.879
   27    HB3  LYS   4          1HB       LYS   4  -2.805   5.877   3.642
   28    HG2  LYS   4          2HG       LYS   4  -5.007   5.655   2.692
   29    HG3  LYS   4          1HG       LYS   4  -5.397   4.362   3.827
   30    HD2  LYS   4          2HD       LYS   4  -5.164   5.916   5.690
   31    HD3  LYS   4          1HD       LYS   4  -4.736   7.209   4.568
   32    HE2  LYS   4          2HE       LYS   4  -6.931   6.981   3.495
   33    HE3  LYS   4          1HE       LYS   4  -7.352   5.714   4.646
   34    HZ1  LYS   4          1HZ       LYS   4  -7.210   7.293   6.423
   35    HZ2  LYS   4          2HZ       LYS   4  -8.221   7.931   5.238
   36    HZ3  LYS   4          3HZ       LYS   4  -6.639   8.486   5.396
   37    H    TRP   5           H        TRP   5  -0.924   5.323   2.340
   38    HA   TRP   5           HA       TRP   5   1.162   3.512   2.201
   39    HB2  TRP   5          2HB       TRP   5   2.657   5.395   2.063
   40    HB3  TRP   5          1HB       TRP   5   1.180   5.775   1.190
   41    HD1  TRP   5           HD       TRP   5  -0.668   7.151   3.082
   42    HE1  TRP   5          1HE       TRP   5  -0.057   9.260   4.419
   43    HE3  TRP   5          3HE       TRP   5   4.396   6.741   2.938
   44    HZ2  TRP   5          2HZ       TRP   5   2.268  10.576   5.288
   45    HZ3  TRP   5          3HZ       TRP   5   5.745   8.475   4.042
   46    HH2  TRP   5           HH       TRP   5   4.693  10.345   5.187
   47    H    MET   6           H        MET   6  -0.024   5.204   5.066
   48    HA   MET   6           HA       MET   6   2.315   4.553   6.556
   49    HB2  MET   6          2HB       MET   6   0.931   6.484   7.217
   50    HB3  MET   6          1HB       MET   6  -0.395   5.390   7.601
   51    HG2  MET   6          2HG       MET   6   0.952   4.334   9.322
   52    HG3  MET   6          1HG       MET   6   2.293   5.392   8.924
   53    HE1  MET   6          1HE       MET   6  -1.569   6.229   9.207
   54    HE2  MET   6          2HE       MET   6  -1.667   6.727  10.896
   55    HE3  MET   6          3HE       MET   6  -1.259   5.060  10.492
   56    H    TRP   7           H        TRP   7  -0.544   2.999   5.737
   57    HA   TRP   7           HA       TRP   7  -0.440   1.079   7.912
   58    HB2  TRP   7          2HB       TRP   7  -2.355   1.281   5.571
   59    HB3  TRP   7          1HB       TRP   7  -2.515   0.151   6.900
   60    HD1  TRP   7           HD       TRP   7  -1.643   2.858   8.921
   61    HE1  TRP   7          1HE       TRP   7  -3.630   4.376   9.582
   62    HE3  TRP   7          3HE       TRP   7  -5.021   1.341   5.430
   63    HZ2  TRP   7          2HZ       TRP   7  -6.271   4.846   8.733
   64    HZ3  TRP   7          3HZ       TRP   7  -7.263   2.364   5.411
   65    HH2  TRP   7           HH       TRP   7  -7.872   4.078   7.038
   66    H    THR   8           H        THR   8  -1.022  -1.274   6.905
   67    HA   THR   8           HA       THR   8   1.100  -1.789   4.975
   68    HB   THR   8           HB       THR   8   1.289  -4.016   6.113
   69    HG1  THR   8          1HG       THR   8   0.115  -3.515   8.412
   70   HG21  THR   8          1HG2      THR   8   2.747  -2.151   6.837
   71   HG22  THR   8          2HG2      THR   8   2.351  -3.225   8.181
   72   HG23  THR   8          3HG2      THR   8   1.527  -1.673   8.016
   73    H    CYS   9           H        CYS   9   0.523  -3.788   3.443
   74    HA   CYS   9           HA       CYS   9  -2.336  -4.203   3.613
   75    HB2  CYS   9          2HB       CYS   9  -2.464  -4.373   1.140
   76    HB3  CYS   9          1HB       CYS   9  -2.020  -2.769   1.698
   77    H    ASP  10           H        ASP  10  -2.882  -6.223   2.107
   78    HA   ASP  10           HA       ASP  10  -0.966  -8.334   2.499
   79    HB2  ASP  10          2HB       ASP  10  -2.066  -7.928   4.789
   80    HB3  ASP  10          1HB       ASP  10  -3.592  -8.382   4.047
   81    H    SER  11           H        SER  11  -2.897 -10.400   2.278
   82    HA   SER  11           HA       SER  11  -3.613 -10.100  -0.465
   83    HB2  SER  11          2HB       SER  11  -2.790 -12.232   0.490
   84    HB3  SER  11          1HB       SER  11  -4.218 -12.313   1.520
   85    HG   SER  11           HG       SER  11  -5.278 -13.080  -0.069
   86    H    GLU  12           H        GLU  12  -5.197  -9.973   2.646
   87    HA   GLU  12           HA       GLU  12  -7.867  -9.792   1.492
   88    HB2  GLU  12          2HB       GLU  12  -7.021  -9.290   4.329
   89    HB3  GLU  12          1HB       GLU  12  -8.642  -9.613   3.747
   90    HG2  GLU  12          2HG       GLU  12  -7.963 -11.879   3.143
   91    HG3  GLU  12          1HG       GLU  12  -6.342 -11.545   3.759
   92    H    ARG  13           H        ARG  13  -5.396  -7.723   2.773
   93    HA   ARG  13           HA       ARG  13  -7.205  -5.438   2.699
   94    HB2  ARG  13          2HB       ARG  13  -4.447  -5.723   3.912
   95    HB3  ARG  13          1HB       ARG  13  -5.389  -4.237   3.916
   96    HG2  ARG  13          2HG       ARG  13  -7.140  -5.353   5.219
   97    HG3  ARG  13          1HG       ARG  13  -6.183  -6.828   5.211
   98    HD2  ARG  13          2HD       ARG  13  -5.251  -4.207   6.367
   99    HD3  ARG  13          1HD       ARG  13  -6.004  -5.476   7.324
  100    HE   ARG  13           HE       ARG  13  -4.042  -6.871   6.416
  101   HH11  ARG  13          1HH1      ARG  13  -3.896  -3.486   7.459
  102   HH12  ARG  13          2HH1      ARG  13  -2.226  -3.517   7.778
  103   HH21  ARG  13          1HH2      ARG  13  -1.692  -6.893   6.967
  104   HH22  ARG  13          2HH2      ARG  13  -0.999  -5.427   7.494
  105    H    LYS  14           H        LYS  14  -7.244  -4.400   0.854
  106    HA   LYS  14           HA       LYS  14  -4.959  -4.592  -0.927
  107    HB2  LYS  14          2HB       LYS  14  -6.511  -3.685  -2.673
  108    HB3  LYS  14          1HB       LYS  14  -7.029  -5.206  -1.977
  109    HG2  LYS  14          2HG       LYS  14  -8.590  -3.905  -0.511
  110    HG3  LYS  14          1HG       LYS  14  -8.149  -2.463  -1.425
  111    HD2  LYS  14          2HD       LYS  14  -8.942  -3.531  -3.489
  112    HD3  LYS  14          1HD       LYS  14  -9.383  -4.974  -2.578
  113    HE2  LYS  14          2HE       LYS  14 -10.926  -3.598  -1.230
  114    HE3  LYS  14          1HE       LYS  14 -10.553  -2.209  -2.251
  115    HZ1  LYS  14          1HZ       LYS  14 -11.855  -4.745  -3.092
  116    HZ2  LYS  14          2HZ       LYS  14 -11.466  -3.498  -4.149
  117    HZ3  LYS  14          3HZ       LYS  14 -12.600  -3.247  -2.927
  118    H    CYS  15           H        CYS  15  -3.721  -2.963  -1.478
  119    HA   CYS  15           HA       CYS  15  -3.835  -0.584   0.167
  120    HB2  CYS  15          2HB       CYS  15  -1.741  -1.976  -0.393
  121    HB3  CYS  15          1HB       CYS  15  -1.824  -1.223  -1.976
  122    H    CYS  16           H        CYS  16  -3.749   1.555  -0.674
  123    HA   CYS  16           HA       CYS  16  -5.691   2.019  -2.628
  124    HB2  CYS  16          2HB       CYS  16  -3.679   3.927  -1.434
  125    HB3  CYS  16          1HB       CYS  16  -5.079   4.399  -2.386
  126    H    LYS  17           H        LYS  17  -5.605   2.796  -4.645
  127    HA   LYS  17           HA       LYS  17  -3.382   2.044  -6.237
  128    HB2  LYS  17          2HB       LYS  17  -5.850   3.634  -6.962
  129    HB3  LYS  17          1HB       LYS  17  -4.715   2.921  -8.106
  130    HG2  LYS  17          2HG       LYS  17  -5.238   0.703  -7.257
  131    HG3  LYS  17          1HG       LYS  17  -6.389   1.404  -6.122
  132    HD2  LYS  17          2HD       LYS  17  -7.690   2.272  -8.027
  133    HD3  LYS  17          1HD       LYS  17  -6.544   1.507  -9.132
  134    HE2  LYS  17          2HE       LYS  17  -8.297   0.106  -7.112
  135    HE3  LYS  17          1HE       LYS  17  -8.511   0.106  -8.861
  136    HZ1  LYS  17          1HZ       LYS  17  -6.312  -1.004  -9.024
  137    HZ2  LYS  17          2HZ       LYS  17  -7.446  -1.922  -8.246
  138    HZ3  LYS  17          3HZ       LYS  17  -6.267  -1.141  -7.345
  139    H    GLY  18           H        GLY  18  -1.791   3.229  -7.012
  140    HA2  GLY  18          2HA       GLY  18  -0.704   5.300  -7.495
  141    HA3  GLY  18          1HA       GLY  18  -1.701   6.073  -6.258
  142    H    MET  19           H        MET  19  -1.056   3.240  -4.982
  143    HA   MET  19           HA       MET  19   1.490   4.018  -3.750
  144    HB2  MET  19          2HB       MET  19  -0.904   2.622  -2.514
  145    HB3  MET  19          1HB       MET  19   0.645   2.836  -1.713
  146    HG2  MET  19          2HG       MET  19   0.397   5.175  -1.690
  147    HG3  MET  19          1HG       MET  19  -1.070   5.113  -2.678
  148    HE1  MET  19          1HE       MET  19  -2.537   6.324   0.700
  149    HE2  MET  19          2HE       MET  19  -2.499   6.553  -1.050
  150    HE3  MET  19          3HE       MET  19  -1.042   6.824  -0.093
  151    H    VAL  20           H        VAL  20   2.543   1.984  -2.773
  152    HA   VAL  20           HA       VAL  20   2.292  -0.214  -4.699
  153    HB   VAL  20           HB       VAL  20   4.617   0.540  -2.891
  154   HG11  VAL  20          1HG1      VAL  20   4.519  -1.862  -3.243
  155   HG12  VAL  20          2HG1      VAL  20   5.888  -1.170  -4.109
  156   HG13  VAL  20          3HG1      VAL  20   4.429  -1.623  -4.986
  157   HG21  VAL  20          1HG2      VAL  20   4.379   2.119  -4.713
  158   HG22  VAL  20          2HG2      VAL  20   4.297   0.800  -5.878
  159   HG23  VAL  20          3HG2      VAL  20   5.791   1.096  -4.990
  160    H    CYS  21           H        CYS  21   1.552  -2.085  -3.952
  161    HA   CYS  21           HA       CYS  21   0.954  -2.296  -1.121
  162    HB2  CYS  21          2HB       CYS  21  -0.766  -2.794  -2.930
  163    HB3  CYS  21          1HB       CYS  21   0.195  -4.206  -3.335
  164    H    ARG  22           H        ARG  22   2.001  -3.630   0.210
  165    HA   ARG  22           HA       ARG  22   3.587  -5.865  -0.548
  166    HB2  ARG  22          2HB       ARG  22   4.868  -3.704  -1.208
  167    HB3  ARG  22          1HB       ARG  22   5.060  -3.496   0.528
  168    HG2  ARG  22          2HG       ARG  22   6.218  -5.572   0.707
  169    HG3  ARG  22          1HG       ARG  22   5.891  -5.943  -0.993
  170    HD2  ARG  22          2HD       ARG  22   7.325  -3.594   0.012
  171    HD3  ARG  22          1HD       ARG  22   8.122  -5.122  -0.459
  172    HE   ARG  22           HE       ARG  22   6.871  -4.594  -2.672
  173   HH11  ARG  22          1HH1      ARG  22   8.484  -2.176  -0.626
  174   HH12  ARG  22          2HH1      ARG  22   8.915  -1.167  -1.933
  175   HH21  ARG  22          1HH2      ARG  22   7.498  -3.183  -4.447
  176   HH22  ARG  22          2HH2      ARG  22   8.342  -1.739  -4.118
  177    H    LEU  23           H        LEU  23   5.039  -6.188   1.700
  178    HA   LEU  23           HA       LEU  23   3.539  -6.807   3.832
  179    HB2  LEU  23          2HB       LEU  23   5.952  -7.265   3.664
  180    HB3  LEU  23          1HB       LEU  23   6.298  -5.573   3.946
  181    HG   LEU  23           HG       LEU  23   5.316  -5.785   6.218
  182   HD11  LEU  23          1HD1      LEU  23   5.181  -8.720   5.559
  183   HD12  LEU  23          2HD1      LEU  23   3.813  -7.645   5.854
  184   HD13  LEU  23          3HD1      LEU  23   4.942  -8.013   7.156
  185   HD21  LEU  23          1HD2      LEU  23   7.564  -7.701   5.600
  186   HD22  LEU  23          2HD2      LEU  23   7.185  -7.033   7.187
  187   HD23  LEU  23          3HD2      LEU  23   7.723  -5.969   5.889
  188    H    TRP  24           H        TRP  24   4.952  -3.618   3.220
  189    HA   TRP  24           HA       TRP  24   2.765  -2.560   4.747
  190    HB2  TRP  24          2HB       TRP  24   4.123  -0.780   5.729
  191    HB3  TRP  24          1HB       TRP  24   4.850  -2.325   6.132
  192    HD1  TRP  24           HD       TRP  24   5.348   0.735   3.992
  193    HE1  TRP  24          1HE       TRP  24   7.875   0.968   3.383
  194    HE3  TRP  24          3HE       TRP  24   6.993  -3.685   5.872
  195    HZ2  TRP  24          2HZ       TRP  24  10.230  -0.575   3.696
  196    HZ3  TRP  24          3HZ       TRP  24   9.386  -4.249   5.690
  197    HH2  TRP  24           HH       TRP  24  10.964  -2.723   4.624
  198    H    CYS  25           H        CYS  25   2.048  -0.397   3.869
  199    HA   CYS  25           HA       CYS  25   2.378  -0.429   1.030
  200    HB2  CYS  25          2HB       CYS  25   0.710   1.257   2.876
  201    HB3  CYS  25          1HB       CYS  25   0.864   1.635   1.164
  202    H    LYS  26           H        LYS  26   2.861   1.467  -0.213
  203    HA   LYS  26           HA       LYS  26   4.663   3.397   0.982
  204    HB2  LYS  26          2HB       LYS  26   6.010   1.355   0.484
  205    HB3  LYS  26          1HB       LYS  26   5.472   1.432  -1.182
  206    HG2  LYS  26          2HG       LYS  26   6.652   3.455  -1.536
  207    HG3  LYS  26          1HG       LYS  26   7.025   3.585   0.180
  208    HD2  LYS  26          2HD       LYS  26   8.263   1.396  -0.029
  209    HD3  LYS  26          1HD       LYS  26   7.999   1.487  -1.767
  210    HE2  LYS  26          2HE       LYS  26   9.505   3.498  -0.099
  211    HE3  LYS  26          1HE       LYS  26  10.233   2.275  -1.134
  212    HZ1  LYS  26          1HZ       LYS  26   9.201   3.351  -3.042
  213    HZ2  LYS  26          2HZ       LYS  26  10.186   4.414  -2.181
  214    HZ3  LYS  26          3HZ       LYS  26   8.524   4.530  -2.025
  215    H    LYS  27           H        LYS  27   4.965   5.222  -0.694
  216    HA   LYS  27           HA       LYS  27   2.722   5.362  -2.385
  217    HB2  LYS  27          2HB       LYS  27   3.466   7.274  -1.155
  218    HB3  LYS  27          1HB       LYS  27   5.087   7.135  -1.841
  219    HG2  LYS  27          2HG       LYS  27   3.990   8.920  -2.876
  220    HG3  LYS  27          1HG       LYS  27   4.150   7.547  -3.996
  221    HD2  LYS  27          2HD       LYS  27   1.796   6.920  -3.559
  222    HD3  LYS  27          1HD       LYS  27   1.624   8.313  -2.495
  223    HE2  LYS  27          2HE       LYS  27   2.248   8.424  -5.449
  224    HE3  LYS  27          1HE       LYS  27   0.662   8.694  -4.740
  225    HZ1  LYS  27          1HZ       LYS  27   3.082  10.352  -4.265
  226    HZ2  LYS  27          2HZ       LYS  27   1.588  10.620  -3.564
  227    HZ3  LYS  27          3HZ       LYS  27   1.773  10.783  -5.222
  228    H    LYS  28           H        LYS  28   2.832   5.507  -4.600
  229    HA   LYS  28           HA       LYS  28   5.083   4.139  -5.844
  230    HB2  LYS  28          2HB       LYS  28   2.883   3.273  -6.348
  231    HB3  LYS  28          1HB       LYS  28   2.320   4.861  -6.829
  232    HG2  LYS  28          2HG       LYS  28   3.871   4.818  -8.733
  233    HG3  LYS  28          1HG       LYS  28   4.386   3.202  -8.260
  234    HD2  LYS  28          2HD       LYS  28   1.536   3.940  -8.919
  235    HD3  LYS  28          1HD       LYS  28   2.667   3.251 -10.079
  236    HE2  LYS  28          2HE       LYS  28   1.863   1.923  -7.482
  237    HE3  LYS  28          1HE       LYS  28   1.120   1.592  -9.038
  238    HZ1  LYS  28          1HZ       LYS  28   3.265   0.864  -9.869
  239    HZ2  LYS  28          2HZ       LYS  28   2.779  -0.032  -8.541
  240    HZ3  LYS  28          3HZ       LYS  28   3.986   1.129  -8.364
  241    H    LEU  29           H        LEU  29   6.648   5.420  -6.522
  242    HA   LEU  29           HA       LEU  29   6.018   8.157  -7.335
  243    HB2  LEU  29          2HB       LEU  29   8.712   6.838  -6.893
  244    HB3  LEU  29          1HB       LEU  29   8.491   8.494  -7.395
  245    HG   LEU  29           HG       LEU  29   9.048   8.588  -5.135
  246   HD11  LEU  29          1HD1      LEU  29   7.262  10.084  -5.668
  247   HD12  LEU  29          2HD1      LEU  29   7.126   9.522  -4.002
  248   HD13  LEU  29          3HD1      LEU  29   6.067   8.855  -5.244
  249   HD21  LEU  29          1HD2      LEU  29   7.936   7.328  -3.350
  250   HD22  LEU  29          2HD2      LEU  29   8.732   6.264  -4.512
  251   HD23  LEU  29          3HD2      LEU  29   6.981   6.469  -4.559
  252    H    TRP  30           H        TRP  30   7.125   5.109  -8.516
  253    HA   TRP  30           HA       TRP  30   6.930   6.108 -11.229
  254    HB2  TRP  30          2HB       TRP  30   9.171   4.342 -10.180
  255    HB3  TRP  30          1HB       TRP  30   8.896   4.727 -11.873
  256    HD1  TRP  30           HD       TRP  30  10.577   6.029  -8.781
  257    HE1  TRP  30          1HE       TRP  30  11.700   8.317  -9.297
  258    HE3  TRP  30          3HE       TRP  30   8.521   6.949 -13.349
  259    HZ2  TRP  30          2HZ       TRP  30  11.696  10.222 -11.355
  260    HZ3  TRP  30          3HZ       TRP  30   9.114   9.029 -14.526
  261    HH2  TRP  30           HH       TRP  30  10.671  10.629 -13.541
  Start of MODEL    9
    1    H1   TYR   1          1HT       TYR   1 -12.806   0.669   4.034
    2    H2   TYR   1          2HT       TYR   1 -11.474   1.685   3.914
    3    H3   TYR   1          3HT       TYR   1 -11.247   0.037   4.043
    4    HA   TYR   1           HA       TYR   1 -12.189  -0.370   1.942
    5    HB2  TYR   1          2HB       TYR   1 -13.874   1.404   1.929
    6    HB3  TYR   1          1HB       TYR   1 -12.627   2.633   1.876
    7    HD1  TYR   1          1HD       TYR   1 -13.897  -0.285  -0.112
    8    HD2  TYR   1          2HD       TYR   1 -12.090   3.570  -0.164
    9    HE1  TYR   1          1HE       TYR   1 -14.080  -0.234  -2.555
   10    HE2  TYR   1          2HE       TYR   1 -12.261   3.628  -2.595
   11    HH   TYR   1           HH       TYR   1 -12.490   2.133  -4.471
   12    H    CYS   2           H        CYS   2 -10.457   2.778   2.105
   13    HA   CYS   2           HA       CYS   2  -8.427   1.555   0.440
   14    HB2  CYS   2          2HB       CYS   2  -9.447   3.745  -0.220
   15    HB3  CYS   2          1HB       CYS   2  -8.767   4.451   1.241
   16    H    GLN   3           H        GLN   3  -6.213   1.981   0.973
   17    HA   GLN   3           HA       GLN   3  -5.750   1.642   3.832
   18    HB2  GLN   3          2HB       GLN   3  -3.929   1.158   1.469
   19    HB3  GLN   3          1HB       GLN   3  -3.463   0.935   3.145
   20    HG2  GLN   3          2HG       GLN   3  -5.591  -0.595   1.668
   21    HG3  GLN   3          1HG       GLN   3  -3.983  -1.179   2.093
   22   HE21  GLN   3          1HE2      GLN   3  -3.532  -1.687   4.251
   23   HE22  GLN   3          2HE2      GLN   3  -4.797  -1.878   5.409
   24    H    LYS   4           H        LYS   4  -4.208   2.874   4.891
   25    HA   LYS   4           HA       LYS   4  -3.627   5.460   3.685
   26    HB2  LYS   4          2HB       LYS   4  -3.269   4.409   6.504
   27    HB3  LYS   4          1HB       LYS   4  -2.810   6.022   5.981
   28    HG2  LYS   4          2HG       LYS   4  -5.570   4.944   5.767
   29    HG3  LYS   4          1HG       LYS   4  -5.024   5.846   7.197
   30    HD2  LYS   4          2HD       LYS   4  -4.475   7.728   5.654
   31    HD3  LYS   4          1HD       LYS   4  -5.183   6.810   4.329
   32    HE2  LYS   4          2HE       LYS   4  -6.618   7.736   6.820
   33    HE3  LYS   4          1HE       LYS   4  -6.732   8.485   5.235
   34    HZ1  LYS   4          1HZ       LYS   4  -7.714   6.385   4.407
   35    HZ2  LYS   4          2HZ       LYS   4  -8.612   7.097   5.614
   36    HZ3  LYS   4          3HZ       LYS   4  -7.695   5.758   5.978
   37    H    TRP   5           H        TRP   5  -1.476   6.215   3.776
   38    HA   TRP   5           HA       TRP   5   0.473   4.425   2.774
   39    HB2  TRP   5          2HB       TRP   5   2.049   6.247   2.834
   40    HB3  TRP   5          1HB       TRP   5   0.482   6.923   2.415
   41    HD1  TRP   5           HD       TRP   5  -0.852   8.045   4.691
   42    HE1  TRP   5          1HE       TRP   5   0.174   9.563   6.504
   43    HE3  TRP   5          3HE       TRP   5   4.049   6.796   4.093
   44    HZ2  TRP   5          2HZ       TRP   5   2.732  10.134   7.551
   45    HZ3  TRP   5          3HZ       TRP   5   5.728   7.864   5.543
   46    HH2  TRP   5           HH       TRP   5   5.075   9.496   7.235
   47    H    MET   6           H        MET   6  -0.379   5.205   5.946
   48    HA   MET   6           HA       MET   6   2.090   4.360   7.094
   49    HB2  MET   6          2HB       MET   6   1.021   4.777   9.278
   50    HB3  MET   6          1HB       MET   6   0.895   6.150   8.190
   51    HG2  MET   6          2HG       MET   6  -1.412   5.497   7.673
   52    HG3  MET   6          1HG       MET   6  -1.274   4.160   8.808
   53    HE1  MET   6          1HE       MET   6  -3.694   6.656  10.609
   54    HE2  MET   6          2HE       MET   6  -3.481   5.015   9.998
   55    HE3  MET   6          3HE       MET   6  -3.577   6.369   8.872
   56    H    TRP   7           H        TRP   7  -0.530   2.731   5.832
   57    HA   TRP   7           HA       TRP   7  -0.388   0.569   7.789
   58    HB2  TRP   7          2HB       TRP   7  -2.426   1.067   5.600
   59    HB3  TRP   7          1HB       TRP   7  -2.431  -0.339   6.651
   60    HD1  TRP   7           HD       TRP   7  -1.600   1.881   9.182
   61    HE1  TRP   7          1HE       TRP   7  -3.592   3.059  10.278
   62    HE3  TRP   7          3HE       TRP   7  -5.105   0.983   5.596
   63    HZ2  TRP   7          2HZ       TRP   7  -6.328   3.549   9.684
   64    HZ3  TRP   7          3HZ       TRP   7  -7.388   1.834   5.931
   65    HH2  TRP   7           HH       TRP   7  -7.982   3.082   7.937
   66    H    THR   8           H        THR   8  -0.985  -1.605   6.381
   67    HA   THR   8           HA       THR   8   1.143  -1.812   4.381
   68    HB   THR   8           HB       THR   8   1.772  -3.975   5.409
   69    HG1  THR   8          1HG       THR   8   0.543  -4.902   6.789
   70   HG21  THR   8          1HG2      THR   8   1.609  -1.823   7.539
   71   HG22  THR   8          2HG2      THR   8   2.871  -1.912   6.324
   72   HG23  THR   8          3HG2      THR   8   2.721  -3.189   7.536
   73    H    CYS   9           H        CYS   9   0.716  -4.262   3.187
   74    HA   CYS   9           HA       CYS   9  -2.144  -4.737   3.380
   75    HB2  CYS   9          2HB       CYS   9  -2.390  -4.979   1.004
   76    HB3  CYS   9          1HB       CYS   9  -1.743  -3.384   1.355
   77    H    ASP  10           H        ASP  10  -2.697  -6.830   2.176
   78    HA   ASP  10           HA       ASP  10  -0.668  -8.837   2.099
   79    HB2  ASP  10          2HB       ASP  10  -1.240  -8.546   4.608
   80    HB3  ASP  10          1HB       ASP  10  -2.850  -9.123   4.198
   81    H    SER  11           H        SER  11  -3.175 -10.726   2.732
   82    HA   SER  11           HA       SER  11  -3.984 -10.798   0.002
   83    HB2  SER  11          2HB       SER  11  -5.344 -12.779   0.863
   84    HB3  SER  11          1HB       SER  11  -3.588 -12.891   1.002
   85    HG   SER  11           HG       SER  11  -3.804 -13.035   3.052
   86    H    GLU  12           H        GLU  12  -5.634 -10.109   3.075
   87    HA   GLU  12           HA       GLU  12  -8.133  -9.624   1.752
   88    HB2  GLU  12          2HB       GLU  12  -7.287  -8.959   4.587
   89    HB3  GLU  12          1HB       GLU  12  -8.917  -8.812   3.960
   90    HG2  GLU  12          2HG       GLU  12  -7.346 -11.364   4.213
   91    HG3  GLU  12          1HG       GLU  12  -8.657 -10.837   5.268
   92    H    ARG  13           H        ARG  13  -5.742  -7.584   3.324
   93    HA   ARG  13           HA       ARG  13  -7.037  -5.210   2.275
   94    HB2  ARG  13          2HB       ARG  13  -4.742  -5.658   4.123
   95    HB3  ARG  13          1HB       ARG  13  -5.175  -4.047   3.550
   96    HG2  ARG  13          2HG       ARG  13  -6.995  -5.903   5.022
   97    HG3  ARG  13          1HG       ARG  13  -5.990  -4.684   5.825
   98    HD2  ARG  13          2HD       ARG  13  -8.236  -3.810   5.540
   99    HD3  ARG  13          1HD       ARG  13  -7.134  -2.945   4.478
  100    HE   ARG  13           HE       ARG  13  -8.627  -5.199   3.412
  101   HH11  ARG  13          1HH1      ARG  13  -8.053  -1.693   3.438
  102   HH12  ARG  13          2HH1      ARG  13  -9.061  -1.373   2.114
  103   HH21  ARG  13          1HH2      ARG  13  -9.954  -4.757   1.556
  104   HH22  ARG  13          2HH2      ARG  13 -10.174  -3.168   1.000
  105    H    LYS  14           H        LYS  14  -6.535  -4.541   0.365
  106    HA   LYS  14           HA       LYS  14  -3.807  -4.940  -0.639
  107    HB2  LYS  14          2HB       LYS  14  -6.378  -4.331  -2.106
  108    HB3  LYS  14          1HB       LYS  14  -4.797  -4.306  -2.868
  109    HG2  LYS  14          2HG       LYS  14  -4.519  -6.684  -2.299
  110    HG3  LYS  14          1HG       LYS  14  -6.144  -6.688  -1.612
  111    HD2  LYS  14          2HD       LYS  14  -7.091  -6.119  -3.773
  112    HD3  LYS  14          1HD       LYS  14  -5.475  -5.996  -4.474
  113    HE2  LYS  14          2HE       LYS  14  -5.093  -8.358  -4.003
  114    HE3  LYS  14          1HE       LYS  14  -6.705  -8.490  -3.305
  115    HZ1  LYS  14          1HZ       LYS  14  -6.608  -9.291  -5.568
  116    HZ2  LYS  14          2HZ       LYS  14  -6.094  -7.792  -6.126
  117    HZ3  LYS  14          3HZ       LYS  14  -7.638  -7.970  -5.467
  118    H    CYS  15           H        CYS  15  -2.585  -3.150  -1.211
  119    HA   CYS  15           HA       CYS  15  -3.432  -0.641  -0.095
  120    HB2  CYS  15          2HB       CYS  15  -1.013  -1.226  -1.845
  121    HB3  CYS  15          1HB       CYS  15  -1.305   0.285  -0.996
  122    H    CYS  16           H        CYS  16  -3.901   1.263  -1.237
  123    HA   CYS  16           HA       CYS  16  -5.431   0.801  -3.577
  124    HB2  CYS  16          2HB       CYS  16  -4.702   3.398  -2.219
  125    HB3  CYS  16          1HB       CYS  16  -6.015   3.160  -3.375
  126    H    LYS  17           H        LYS  17  -5.180   1.954  -5.575
  127    HA   LYS  17           HA       LYS  17  -2.664   1.789  -6.776
  128    HB2  LYS  17          2HB       LYS  17  -4.839   1.699  -7.928
  129    HB3  LYS  17          1HB       LYS  17  -5.082   3.406  -7.609
  130    HG2  LYS  17          2HG       LYS  17  -3.101   3.919  -8.990
  131    HG3  LYS  17          1HG       LYS  17  -2.932   2.197  -9.339
  132    HD2  LYS  17          2HD       LYS  17  -5.360   3.861  -9.989
  133    HD3  LYS  17          1HD       LYS  17  -4.093   3.437 -11.139
  134    HE2  LYS  17          2HE       LYS  17  -4.611   1.099 -10.921
  135    HE3  LYS  17          1HE       LYS  17  -5.770   1.416  -9.633
  136    HZ1  LYS  17          1HZ       LYS  17  -6.861   1.049 -11.747
  137    HZ2  LYS  17          2HZ       LYS  17  -6.020   2.331 -12.442
  138    HZ3  LYS  17          3HZ       LYS  17  -7.125   2.621 -11.211
  139    H    GLY  18           H        GLY  18  -1.087   3.328  -7.164
  140    HA2  GLY  18          2HA       GLY  18  -0.244   5.578  -7.062
  141    HA3  GLY  18          1HA       GLY  18  -1.441   5.925  -5.807
  142    H    MET  19           H        MET  19  -0.857   3.138  -4.838
  143    HA   MET  19           HA       MET  19   1.731   3.532  -3.564
  144    HB2  MET  19          2HB       MET  19  -0.838   2.462  -2.363
  145    HB3  MET  19          1HB       MET  19   0.736   2.170  -1.641
  146    HG2  MET  19          2HG       MET  19   1.051   4.552  -1.352
  147    HG3  MET  19          1HG       MET  19  -0.539   4.875  -2.061
  148    HE1  MET  19          1HE       MET  19  -2.300   2.535  -0.769
  149    HE2  MET  19          2HE       MET  19  -2.829   4.217  -0.827
  150    HE3  MET  19          3HE       MET  19  -2.892   3.325   0.690
  151    H    VAL  20           H        VAL  20   2.584   1.408  -2.881
  152    HA   VAL  20           HA       VAL  20   2.010  -0.617  -4.950
  153    HB   VAL  20           HB       VAL  20   4.377  -0.616  -3.083
  154   HG11  VAL  20          1HG1      VAL  20   4.004  -1.812  -5.811
  155   HG12  VAL  20          2HG1      VAL  20   3.908  -2.665  -4.276
  156   HG13  VAL  20          3HG1      VAL  20   5.441  -1.959  -4.797
  157   HG21  VAL  20          1HG2      VAL  20   5.740   0.493  -4.783
  158   HG22  VAL  20          2HG2      VAL  20   4.437   1.548  -4.225
  159   HG23  VAL  20          3HG2      VAL  20   4.305   0.723  -5.780
  160    H    CYS  21           H        CYS  21   1.273  -2.613  -4.242
  161    HA   CYS  21           HA       CYS  21   0.693  -2.765  -1.417
  162    HB2  CYS  21          2HB       CYS  21  -1.030  -3.366  -3.118
  163    HB3  CYS  21          1HB       CYS  21  -0.015  -4.704  -3.641
  164    H    ARG  22           H        ARG  22   2.344  -3.307  -0.276
  165    HA   ARG  22           HA       ARG  22   3.905  -5.684  -0.940
  166    HB2  ARG  22          2HB       ARG  22   4.885  -2.956  -0.171
  167    HB3  ARG  22          1HB       ARG  22   5.861  -4.378   0.109
  168    HG2  ARG  22          2HG       ARG  22   5.748  -4.879  -2.253
  169    HG3  ARG  22          1HG       ARG  22   4.878  -3.356  -2.536
  170    HD2  ARG  22          2HD       ARG  22   6.790  -2.180  -1.464
  171    HD3  ARG  22          1HD       ARG  22   7.619  -3.738  -1.385
  172    HE   ARG  22           HE       ARG  22   6.789  -3.125  -4.037
  173   HH11  ARG  22          1HH1      ARG  22   9.450  -2.607  -1.732
  174   HH12  ARG  22          2HH1      ARG  22  10.530  -2.053  -2.915
  175   HH21  ARG  22          1HH2      ARG  22   8.311  -2.348  -5.646
  176   HH22  ARG  22          2HH2      ARG  22   9.889  -1.924  -5.188
  177    H    LEU  23           H        LEU  23   5.500  -5.615   1.222
  178    HA   LEU  23           HA       LEU  23   4.075  -6.556   3.399
  179    HB2  LEU  23          2HB       LEU  23   6.486  -6.864   3.086
  180    HB3  LEU  23          1HB       LEU  23   6.761  -5.162   3.383
  181    HG   LEU  23           HG       LEU  23   5.890  -5.511   5.706
  182   HD11  LEU  23          1HD1      LEU  23   6.041  -8.417   4.937
  183   HD12  LEU  23          2HD1      LEU  23   4.577  -7.513   5.328
  184   HD13  LEU  23          3HD1      LEU  23   5.800  -7.791   6.567
  185   HD21  LEU  23          1HD2      LEU  23   7.926  -6.576   6.518
  186   HD22  LEU  23          2HD2      LEU  23   8.276  -5.432   5.222
  187   HD23  LEU  23          3HD2      LEU  23   8.270  -7.166   4.894
  188    H    TRP  24           H        TRP  24   4.776  -3.283   2.433
  189    HA   TRP  24           HA       TRP  24   2.934  -2.370   4.435
  190    HB2  TRP  24          2HB       TRP  24   4.292  -0.484   5.079
  191    HB3  TRP  24          1HB       TRP  24   5.331  -1.892   5.192
  192    HD1  TRP  24           HD       TRP  24   4.933   1.369   3.490
  193    HE1  TRP  24          1HE       TRP  24   6.992   1.872   1.971
  194    HE3  TRP  24          3HE       TRP  24   7.159  -3.184   3.681
  195    HZ2  TRP  24          2HZ       TRP  24   9.250   0.466   1.004
  196    HZ3  TRP  24          3HZ       TRP  24   9.257  -3.550   2.442
  197    HH2  TRP  24           HH       TRP  24  10.278  -1.755   1.134
  198    H    CYS  25           H        CYS  25   2.040  -0.086   3.620
  199    HA   CYS  25           HA       CYS  25   1.821  -0.263   0.754
  200    HB2  CYS  25          2HB       CYS  25   0.579   1.642   2.759
  201    HB3  CYS  25          1HB       CYS  25   0.311   1.750   1.024
  202    H    LYS  26           H        LYS  26   3.295   0.544  -0.454
  203    HA   LYS  26           HA       LYS  26   4.998   2.654   0.598
  204    HB2  LYS  26          2HB       LYS  26   6.142   0.687  -0.313
  205    HB3  LYS  26          1HB       LYS  26   5.336   0.921  -1.859
  206    HG2  LYS  26          2HG       LYS  26   6.477   3.091  -2.101
  207    HG3  LYS  26          1HG       LYS  26   7.322   2.790  -0.584
  208    HD2  LYS  26          2HD       LYS  26   8.367   0.813  -1.549
  209    HD3  LYS  26          1HD       LYS  26   7.493   1.082  -3.061
  210    HE2  LYS  26          2HE       LYS  26   9.492   2.974  -1.817
  211    HE3  LYS  26          1HE       LYS  26   9.802   1.907  -3.182
  212    HZ1  LYS  26          1HZ       LYS  26   9.338   4.160  -3.894
  213    HZ2  LYS  26          2HZ       LYS  26   7.856   4.182  -3.168
  214    HZ3  LYS  26          3HZ       LYS  26   8.152   3.139  -4.477
  215    H    LYS  27           H        LYS  27   4.605   4.670   0.003
  216    HA   LYS  27           HA       LYS  27   2.744   5.124  -2.145
  217    HB2  LYS  27          2HB       LYS  27   2.923   7.533  -1.528
  218    HB3  LYS  27          1HB       LYS  27   2.373   6.493  -0.229
  219    HG2  LYS  27          2HG       LYS  27   4.630   6.550   0.740
  220    HG3  LYS  27          1HG       LYS  27   5.135   7.593  -0.594
  221    HD2  LYS  27          2HD       LYS  27   3.571   9.312   0.111
  222    HD3  LYS  27          1HD       LYS  27   2.951   8.267   1.389
  223    HE2  LYS  27          2HE       LYS  27   4.460   9.899   2.342
  224    HE3  LYS  27          1HE       LYS  27   5.183   8.302   2.450
  225    HZ1  LYS  27          1HZ       LYS  27   6.548   8.854   0.503
  226    HZ2  LYS  27          2HZ       LYS  27   6.789   9.918   1.768
  227    HZ3  LYS  27          3HZ       LYS  27   5.872  10.403   0.453
  228    H    LYS  28           H        LYS  28   3.085   5.852  -4.018
  229    HA   LYS  28           HA       LYS  28   5.851   5.904  -4.993
  230    HB2  LYS  28          2HB       LYS  28   3.247   5.955  -6.512
  231    HB3  LYS  28          1HB       LYS  28   4.842   5.832  -7.214
  232    HG2  LYS  28          2HG       LYS  28   5.104   3.615  -6.194
  233    HG3  LYS  28          1HG       LYS  28   3.482   3.764  -5.496
  234    HD2  LYS  28          2HD       LYS  28   2.527   4.016  -7.716
  235    HD3  LYS  28          1HD       LYS  28   4.133   3.921  -8.430
  236    HE2  LYS  28          2HE       LYS  28   4.349   1.634  -7.622
  237    HE3  LYS  28          1HE       LYS  28   2.740   1.734  -6.894
  238    HZ1  LYS  28          1HZ       LYS  28   1.839   2.104  -9.114
  239    HZ2  LYS  28          2HZ       LYS  28   2.679   0.631  -9.023
  240    HZ3  LYS  28          3HZ       LYS  28   3.382   1.956  -9.778
  241    H    LEU  29           H        LEU  29   6.537   7.622  -6.322
  242    HA   LEU  29           HA       LEU  29   4.902  10.016  -6.105
  243    HB2  LEU  29          2HB       LEU  29   7.006  11.294  -6.683
  244    HB3  LEU  29          1HB       LEU  29   7.030  10.477  -5.145
  245    HG   LEU  29           HG       LEU  29   8.367   8.640  -6.369
  246   HD11  LEU  29          1HD1      LEU  29   7.978   9.377  -8.649
  247   HD12  LEU  29          2HD1      LEU  29   9.698   9.385  -8.262
  248   HD13  LEU  29          3HD1      LEU  29   8.801  10.900  -8.307
  249   HD21  LEU  29          1HD2      LEU  29   9.548  11.359  -5.867
  250   HD22  LEU  29          2HD2      LEU  29  10.460   9.853  -5.973
  251   HD23  LEU  29          3HD2      LEU  29   9.294  10.091  -4.672
  252    H    TRP  30           H        TRP  30   6.206   7.728  -8.235
  253    HA   TRP  30           HA       TRP  30   4.379   8.239 -10.257
  254    HB2  TRP  30          2HB       TRP  30   5.886  10.117 -10.894
  255    HB3  TRP  30          1HB       TRP  30   7.257   9.015 -10.913
  256    HD1  TRP  30           HD       TRP  30   7.821   7.988 -13.218
  257    HE1  TRP  30          1HE       TRP  30   6.626   7.782 -15.495
  258    HE3  TRP  30          3HE       TRP  30   3.258   9.862 -11.899
  259    HZ2  TRP  30          2HZ       TRP  30   4.065   8.339 -16.572
  260    HZ3  TRP  30          3HZ       TRP  30   1.488   9.984 -13.614
  261    HH2  TRP  30           HH       TRP  30   1.898   9.238 -15.895
  Start of MODEL   10
    1    H1   TYR   1          1HT       TYR   1 -11.868  -1.020   1.886
    2    H2   TYR   1          2HT       TYR   1 -12.890  -0.626   3.154
    3    H3   TYR   1          3HT       TYR   1 -11.227  -0.446   3.333
    4    HA   TYR   1           HA       TYR   1 -12.922   1.033   1.446
    5    HB2  TYR   1          2HB       TYR   1 -13.432   1.741   3.736
    6    HB3  TYR   1          1HB       TYR   1 -11.729   1.914   4.098
    7    HD1  TYR   1          1HD       TYR   1 -14.252   3.246   1.656
    8    HD2  TYR   1          2HD       TYR   1 -10.850   4.021   4.092
    9    HE1  TYR   1          1HE       TYR   1 -14.362   5.613   1.048
   10    HE2  TYR   1          2HE       TYR   1 -10.947   6.378   3.494
   11    HH   TYR   1           HH       TYR   1 -13.631   7.771   1.963
   12    H    CYS   2           H        CYS   2  -9.782   1.517   3.158
   13    HA   CYS   2           HA       CYS   2  -8.338   1.420   0.731
   14    HB2  CYS   2          2HB       CYS   2  -9.523   3.679   0.559
   15    HB3  CYS   2          1HB       CYS   2  -8.630   4.150   2.005
   16    H    GLN   3           H        GLN   3  -6.114   1.767   1.171
   17    HA   GLN   3           HA       GLN   3  -5.447   1.497   4.014
   18    HB2  GLN   3          2HB       GLN   3  -3.907   0.477   1.623
   19    HB3  GLN   3          1HB       GLN   3  -3.380   0.345   3.284
   20    HG2  GLN   3          2HG       GLN   3  -5.765  -1.022   2.052
   21    HG3  GLN   3          1HG       GLN   3  -4.231  -1.770   2.478
   22   HE21  GLN   3          1HE2      GLN   3  -3.729  -2.066   4.715
   23   HE22  GLN   3          2HE2      GLN   3  -4.993  -2.037   5.882
   24    H    LYS   4           H        LYS   4  -3.851   2.842   4.775
   25    HA   LYS   4           HA       LYS   4  -3.089   5.029   3.002
   26    HB2  LYS   4          2HB       LYS   4  -2.789   4.720   5.995
   27    HB3  LYS   4          1HB       LYS   4  -2.385   6.164   5.075
   28    HG2  LYS   4          2HG       LYS   4  -4.726   6.442   4.454
   29    HG3  LYS   4          1HG       LYS   4  -5.137   4.964   5.322
   30    HD2  LYS   4          2HD       LYS   4  -4.414   5.970   7.418
   31    HD3  LYS   4          1HD       LYS   4  -3.936   7.439   6.569
   32    HE2  LYS   4          2HE       LYS   4  -6.743   6.327   6.707
   33    HE3  LYS   4          1HE       LYS   4  -6.125   7.655   7.681
   34    HZ1  LYS   4          1HZ       LYS   4  -5.743   8.909   5.635
   35    HZ2  LYS   4          2HZ       LYS   4  -7.362   8.499   5.786
   36    HZ3  LYS   4          3HZ       LYS   4  -6.388   7.663   4.710
   37    H    TRP   5           H        TRP   5  -0.798   5.825   3.197
   38    HA   TRP   5           HA       TRP   5   1.078   3.738   2.650
   39    HB2  TRP   5          2HB       TRP   5   2.735   5.541   2.410
   40    HB3  TRP   5          1HB       TRP   5   1.232   5.983   1.615
   41    HD1  TRP   5           HD       TRP   5   3.251   6.823   4.811
   42    HE1  TRP   5          1HE       TRP   5   2.544   9.132   5.642
   43    HE3  TRP   5          3HE       TRP   5  -0.544   7.746   1.501
   44    HZ2  TRP   5          2HZ       TRP   5   0.663  11.082   4.999
   45    HZ3  TRP   5          3HZ       TRP   5  -1.739   9.871   1.682
   46    HH2  TRP   5           HH       TRP   5  -1.151  11.514   3.389
   47    H    MET   6           H        MET   6   0.020   5.145   5.430
   48    HA   MET   6           HA       MET   6   2.372   4.574   7.047
   49    HB2  MET   6          2HB       MET   6   1.125   5.693   8.850
   50    HB3  MET   6          1HB       MET   6   1.167   6.682   7.396
   51    HG2  MET   6          2HG       MET   6  -1.098   5.861   6.833
   52    HG3  MET   6          1HG       MET   6  -1.145   5.036   8.386
   53    HE1  MET   6          1HE       MET   6  -1.011   8.480   6.525
   54    HE2  MET   6          2HE       MET   6   0.410   8.620   7.564
   55    HE3  MET   6          3HE       MET   6  -1.005   9.623   7.865
   56    H    TRP   7           H        TRP   7  -0.018   2.840   5.763
   57    HA   TRP   7           HA       TRP   7  -0.267   1.007   8.027
   58    HB2  TRP   7          2HB       TRP   7  -2.197   1.486   5.732
   59    HB3  TRP   7          1HB       TRP   7  -2.354   0.187   6.900
   60    HD1  TRP   7           HD       TRP   7  -1.383   2.820   9.089
   61    HE1  TRP   7          1HE       TRP   7  -3.393   4.136  10.022
   62    HE3  TRP   7          3HE       TRP   7  -4.942   1.241   5.833
   63    HZ2  TRP   7          2HZ       TRP   7  -6.131   4.456   9.437
   64    HZ3  TRP   7          3HZ       TRP   7  -7.232   2.090   6.069
   65    HH2  TRP   7           HH       TRP   7  -7.809   3.661   7.848
   66    H    THR   8           H        THR   8  -1.062  -1.233   6.683
   67    HA   THR   8           HA       THR   8   1.083  -1.661   4.770
   68    HB   THR   8           HB       THR   8   1.504  -3.831   5.969
   69    HG1  THR   8          1HG       THR   8  -0.263  -4.207   7.160
   70   HG21  THR   8          1HG2      THR   8   2.904  -1.812   6.472
   71   HG22  THR   8          2HG2      THR   8   2.734  -2.886   7.854
   72   HG23  THR   8          3HG2      THR   8   1.778  -1.407   7.764
   73    H    CYS   9           H        CYS   9   0.596  -4.072   3.578
   74    HA   CYS   9           HA       CYS   9  -2.311  -4.306   3.682
   75    HB2  CYS   9          2HB       CYS   9  -2.485  -4.605   1.315
   76    HB3  CYS   9          1HB       CYS   9  -1.616  -3.109   1.620
   77    H    ASP  10           H        ASP  10  -2.859  -6.398   2.205
   78    HA   ASP  10           HA       ASP  10  -1.218  -8.660   3.070
   79    HB2  ASP  10          2HB       ASP  10  -4.204  -8.375   3.633
   80    HB3  ASP  10          1HB       ASP  10  -3.228  -9.802   3.930
   81    H    SER  11           H        SER  11  -3.052 -10.588   2.201
   82    HA   SER  11           HA       SER  11  -3.218 -10.050  -0.618
   83    HB2  SER  11          2HB       SER  11  -4.283 -12.422   0.936
   84    HB3  SER  11          1HB       SER  11  -3.977 -12.345  -0.800
   85    HG   SER  11           HG       SER  11  -1.839 -12.386  -0.462
   86    H    GLU  12           H        GLU  12  -5.329 -10.169   2.171
   87    HA   GLU  12           HA       GLU  12  -7.745  -9.894   0.648
   88    HB2  GLU  12          2HB       GLU  12  -8.844  -9.577   2.860
   89    HB3  GLU  12          1HB       GLU  12  -7.903 -11.050   2.749
   90    HG2  GLU  12          2HG       GLU  12  -6.114 -10.027   4.055
   91    HG3  GLU  12          1HG       GLU  12  -7.009  -8.515   4.107
   92    H    ARG  13           H        ARG  13  -5.757  -7.731   2.576
   93    HA   ARG  13           HA       ARG  13  -7.312  -5.428   1.653
   94    HB2  ARG  13          2HB       ARG  13  -5.144  -5.681   3.742
   95    HB3  ARG  13          1HB       ARG  13  -5.894  -4.162   3.276
   96    HG2  ARG  13          2HG       ARG  13  -8.032  -4.945   4.053
   97    HG3  ARG  13          1HG       ARG  13  -7.333  -6.519   4.439
   98    HD2  ARG  13          2HD       ARG  13  -6.496  -3.902   5.686
   99    HD3  ARG  13          1HD       ARG  13  -7.621  -5.061   6.397
  100    HE   ARG  13           HE       ARG  13  -4.940  -6.051   5.742
  101   HH11  ARG  13          1HH1      ARG  13  -7.127  -4.869   8.272
  102   HH12  ARG  13          2HH1      ARG  13  -6.255  -5.634   9.520
  103   HH21  ARG  13          1HH2      ARG  13  -3.832  -7.033   7.367
  104   HH22  ARG  13          2HH2      ARG  13  -4.324  -6.944   9.010
  105    H    LYS  14           H        LYS  14  -6.569  -4.517  -0.188
  106    HA   LYS  14           HA       LYS  14  -3.690  -4.751  -0.692
  107    HB2  LYS  14          2HB       LYS  14  -4.136  -4.291  -3.019
  108    HB3  LYS  14          1HB       LYS  14  -5.173  -5.611  -2.506
  109    HG2  LYS  14          2HG       LYS  14  -7.071  -4.067  -2.335
  110    HG3  LYS  14          1HG       LYS  14  -6.020  -2.734  -2.794
  111    HD2  LYS  14          2HD       LYS  14  -6.615  -5.136  -4.527
  112    HD3  LYS  14          1HD       LYS  14  -7.409  -3.573  -4.671
  113    HE2  LYS  14          2HE       LYS  14  -4.440  -4.050  -5.005
  114    HE3  LYS  14          1HE       LYS  14  -5.587  -3.891  -6.321
  115    HZ1  LYS  14          1HZ       LYS  14  -6.053  -1.624  -5.574
  116    HZ2  LYS  14          2HZ       LYS  14  -4.413  -1.837  -5.916
  117    HZ3  LYS  14          3HZ       LYS  14  -4.924  -1.767  -4.330
  118    H    CYS  15           H        CYS  15  -2.529  -2.876  -1.258
  119    HA   CYS  15           HA       CYS  15  -3.407  -0.480  -0.029
  120    HB2  CYS  15          2HB       CYS  15  -1.173  -0.845  -2.046
  121    HB3  CYS  15          1HB       CYS  15  -1.376   0.517  -0.949
  122    H    CYS  16           H        CYS  16  -3.853   1.545  -1.151
  123    HA   CYS  16           HA       CYS  16  -5.696   1.044  -3.260
  124    HB2  CYS  16          2HB       CYS  16  -4.891   3.601  -1.876
  125    HB3  CYS  16          1HB       CYS  16  -6.235   3.445  -3.012
  126    H    LYS  17           H        LYS  17  -5.779   2.396  -5.230
  127    HA   LYS  17           HA       LYS  17  -3.502   1.964  -6.785
  128    HB2  LYS  17          2HB       LYS  17  -5.809   2.115  -7.657
  129    HB3  LYS  17          1HB       LYS  17  -5.826   3.833  -7.303
  130    HG2  LYS  17          2HG       LYS  17  -4.131   4.251  -8.949
  131    HG3  LYS  17          1HG       LYS  17  -3.926   2.525  -9.232
  132    HD2  LYS  17          2HD       LYS  17  -6.458   4.094  -9.764
  133    HD3  LYS  17          1HD       LYS  17  -5.286   3.622 -10.990
  134    HE2  LYS  17          2HE       LYS  17  -6.922   1.726  -9.277
  135    HE3  LYS  17          1HE       LYS  17  -7.223   2.121 -10.962
  136    HZ1  LYS  17          1HZ       LYS  17  -5.112   1.119 -11.556
  137    HZ2  LYS  17          2HZ       LYS  17  -6.042   0.006 -10.716
  138    HZ3  LYS  17          3HZ       LYS  17  -4.768   0.778  -9.949
  139    H    GLY  18           H        GLY  18  -1.706   3.050  -6.971
  140    HA2  GLY  18          2HA       GLY  18  -0.503   5.145  -7.179
  141    HA3  GLY  18          1HA       GLY  18  -1.608   5.828  -5.986
  142    H    MET  19           H        MET  19  -0.947   2.696  -5.177
  143    HA   MET  19           HA       MET  19   1.492   3.229  -3.644
  144    HB2  MET  19          2HB       MET  19  -1.070   1.981  -2.614
  145    HB3  MET  19          1HB       MET  19   0.462   1.944  -1.761
  146    HG2  MET  19          2HG       MET  19   0.418   4.237  -1.404
  147    HG3  MET  19          1HG       MET  19  -0.977   4.488  -2.480
  148    HE1  MET  19          1HE       MET  19  -2.554   5.344   0.939
  149    HE2  MET  19          2HE       MET  19  -2.363   5.809  -0.750
  150    HE3  MET  19          3HE       MET  19  -0.964   5.791   0.323
  151    H    VAL  20           H        VAL  20   2.553   1.221  -3.146
  152    HA   VAL  20           HA       VAL  20   1.630  -0.962  -4.852
  153    HB   VAL  20           HB       VAL  20   3.907  -0.182  -5.426
  154   HG11  VAL  20          1HG1      VAL  20   4.646   0.685  -3.327
  155   HG12  VAL  20          2HG1      VAL  20   5.804  -0.515  -3.911
  156   HG13  VAL  20          3HG1      VAL  20   4.672  -0.931  -2.621
  157   HG21  VAL  20          1HG2      VAL  20   3.426  -2.508  -5.827
  158   HG22  VAL  20          2HG2      VAL  20   3.879  -2.918  -4.175
  159   HG23  VAL  20          3HG2      VAL  20   5.104  -2.339  -5.303
  160    H    CYS  21           H        CYS  21   1.215  -2.922  -4.008
  161    HA   CYS  21           HA       CYS  21   0.700  -2.890  -1.161
  162    HB2  CYS  21          2HB       CYS  21  -1.074  -3.521  -2.789
  163    HB3  CYS  21          1HB       CYS  21  -0.102  -4.910  -3.250
  164    H    ARG  22           H        ARG  22   2.307  -3.480   0.048
  165    HA   ARG  22           HA       ARG  22   3.576  -6.051  -0.385
  166    HB2  ARG  22          2HB       ARG  22   4.998  -3.419  -0.112
  167    HB3  ARG  22          1HB       ARG  22   5.784  -4.949   0.250
  168    HG2  ARG  22          2HG       ARG  22   5.388  -5.738  -1.907
  169    HG3  ARG  22          1HG       ARG  22   4.509  -4.268  -2.365
  170    HD2  ARG  22          2HD       ARG  22   6.580  -3.011  -1.850
  171    HD3  ARG  22          1HD       ARG  22   7.380  -4.574  -1.607
  172    HE   ARG  22           HE       ARG  22   6.103  -4.561  -4.091
  173   HH11  ARG  22          1HH1      ARG  22   8.972  -3.196  -2.511
  174   HH12  ARG  22          2HH1      ARG  22   9.813  -2.938  -3.958
  175   HH21  ARG  22          1HH2      ARG  22   7.277  -4.218  -6.081
  176   HH22  ARG  22          2HH2      ARG  22   8.841  -3.559  -6.036
  177    H    LEU  23           H        LEU  23   5.434  -5.696   1.679
  178    HA   LEU  23           HA       LEU  23   4.237  -6.412   4.023
  179    HB2  LEU  23          2HB       LEU  23   6.669  -6.475   3.675
  180    HB3  LEU  23          1HB       LEU  23   6.727  -4.728   3.725
  181    HG   LEU  23           HG       LEU  23   6.050  -4.774   6.091
  182   HD11  LEU  23          1HD1      LEU  23   6.071  -6.895   7.318
  183   HD12  LEU  23          2HD1      LEU  23   6.223  -7.762   5.788
  184   HD13  LEU  23          3HD1      LEU  23   4.773  -6.821   6.129
  185   HD21  LEU  23          1HD2      LEU  23   8.150  -5.670   6.975
  186   HD22  LEU  23          2HD2      LEU  23   8.408  -4.723   5.511
  187   HD23  LEU  23          3HD2      LEU  23   8.441  -6.484   5.437
  188    H    TRP  24           H        TRP  24   4.971  -3.141   2.913
  189    HA   TRP  24           HA       TRP  24   2.806  -2.300   4.584
  190    HB2  TRP  24          2HB       TRP  24   3.897  -0.201   5.204
  191    HB3  TRP  24          1HB       TRP  24   4.896  -1.549   5.707
  192    HD1  TRP  24           HD       TRP  24   4.764   1.331   3.269
  193    HE1  TRP  24          1HE       TRP  24   7.182   1.834   2.418
  194    HE3  TRP  24          3HE       TRP  24   7.154  -2.671   5.300
  195    HZ2  TRP  24          2HZ       TRP  24   9.737   0.638   2.612
  196    HZ3  TRP  24          3HZ       TRP  24   9.575  -2.927   4.936
  197    HH2  TRP  24           HH       TRP  24  10.828  -1.306   3.622
  198    H    CYS  25           H        CYS  25   1.948  -0.090   3.732
  199    HA   CYS  25           HA       CYS  25   1.789  -0.357   0.872
  200    HB2  CYS  25          2HB       CYS  25   0.340   1.409   2.841
  201    HB3  CYS  25          1HB       CYS  25   0.149   1.573   1.096
  202    H    LYS  26           H        LYS  26   3.151   0.550  -0.370
  203    HA   LYS  26           HA       LYS  26   4.532   2.898   0.637
  204    HB2  LYS  26          2HB       LYS  26   5.993   0.989   0.206
  205    HB3  LYS  26          1HB       LYS  26   5.422   0.895  -1.447
  206    HG2  LYS  26          2HG       LYS  26   6.483   2.933  -2.019
  207    HG3  LYS  26          1HG       LYS  26   6.830   3.299  -0.329
  208    HD2  LYS  26          2HD       LYS  26   8.250   1.275  -0.232
  209    HD3  LYS  26          1HD       LYS  26   7.968   1.029  -1.956
  210    HE2  LYS  26          2HE       LYS  26   9.050   3.154  -2.449
  211    HE3  LYS  26          1HE       LYS  26   9.233   3.477  -0.731
  212    HZ1  LYS  26          1HZ       LYS  26  10.489   1.220  -2.192
  213    HZ2  LYS  26          2HZ       LYS  26  10.643   1.533  -0.558
  214    HZ3  LYS  26          3HZ       LYS  26  11.290   2.616  -1.667
  215    H    LYS  27           H        LYS  27   4.119   4.683  -0.254
  216    HA   LYS  27           HA       LYS  27   2.076   4.834  -2.262
  217    HB2  LYS  27          2HB       LYS  27   2.220   7.279  -1.898
  218    HB3  LYS  27          1HB       LYS  27   1.915   6.350  -0.434
  219    HG2  LYS  27          2HG       LYS  27   4.315   6.525   0.117
  220    HG3  LYS  27          1HG       LYS  27   4.534   7.558  -1.295
  221    HD2  LYS  27          2HD       LYS  27   3.032   9.200  -0.350
  222    HD3  LYS  27          1HD       LYS  27   2.687   8.136   1.017
  223    HE2  LYS  27          2HE       LYS  27   5.384   9.282   0.320
  224    HE3  LYS  27          1HE       LYS  27   4.320   9.878   1.596
  225    HZ1  LYS  27          1HZ       LYS  27   6.058   8.445   2.441
  226    HZ2  LYS  27          2HZ       LYS  27   5.583   7.171   1.498
  227    HZ3  LYS  27          3HZ       LYS  27   4.567   7.742   2.732
  228    H    LYS  28           H        LYS  28   2.221   6.545  -3.917
  229    HA   LYS  28           HA       LYS  28   4.206   5.864  -5.768
  230    HB2  LYS  28          2HB       LYS  28   2.074   6.346  -6.630
  231    HB3  LYS  28          1HB       LYS  28   1.968   7.861  -5.759
  232    HG2  LYS  28          2HG       LYS  28   3.664   8.836  -7.219
  233    HG3  LYS  28          1HG       LYS  28   3.815   7.306  -8.082
  234    HD2  LYS  28          2HD       LYS  28   1.169   8.697  -7.836
  235    HD3  LYS  28          1HD       LYS  28   2.330   9.156  -9.080
  236    HE2  LYS  28          2HE       LYS  28   1.376   6.325  -8.691
  237    HE3  LYS  28          1HE       LYS  28   0.554   7.475  -9.741
  238    HZ1  LYS  28          1HZ       LYS  28   2.485   7.660 -11.094
  239    HZ2  LYS  28          2HZ       LYS  28   2.213   6.006 -10.902
  240    HZ3  LYS  28          3HZ       LYS  28   3.436   6.775 -10.048
  241    H    LEU  29           H        LEU  29   6.183   6.391  -5.088
  242    HA   LEU  29           HA       LEU  29   6.810   9.251  -5.024
  243    HB2  LEU  29          2HB       LEU  29   8.566   6.839  -4.434
  244    HB3  LEU  29          1HB       LEU  29   9.168   8.474  -4.509
  245    HG   LEU  29           HG       LEU  29   9.032   8.007  -2.253
  246   HD11  LEU  29          1HD1      LEU  29   7.332   9.449  -1.311
  247   HD12  LEU  29          2HD1      LEU  29   6.510   9.493  -2.868
  248   HD13  LEU  29          3HD1      LEU  29   8.132  10.167  -2.711
  249   HD21  LEU  29          1HD2      LEU  29   7.762   5.952  -2.302
  250   HD22  LEU  29          2HD2      LEU  29   6.286   6.842  -2.668
  251   HD23  LEU  29          3HD2      LEU  29   7.074   7.051  -1.104
  252    H    TRP  30           H        TRP  30   6.099   7.119  -7.167
  253    HA   TRP  30           HA       TRP  30   8.105   7.915  -9.166
  254    HB2  TRP  30          2HB       TRP  30   6.528   5.330  -9.182
  255    HB3  TRP  30          1HB       TRP  30   7.844   5.780 -10.245
  256    HD1  TRP  30           HD       TRP  30  10.335   5.420  -9.305
  257    HE1  TRP  30          1HE       TRP  30  11.231   3.969  -7.373
  258    HE3  TRP  30          3HE       TRP  30   5.944   4.555  -6.844
  259    HZ2  TRP  30          2HZ       TRP  30  10.201   2.640  -5.102
  260    HZ3  TRP  30          3HZ       TRP  30   5.980   3.190  -4.802
  261    HH2  TRP  30           HH       TRP  30   8.056   2.248  -3.959
  Start of MODEL   11
    1    H1   TYR   1          1HT       TYR   1 -12.195  -0.970   2.169
    2    H2   TYR   1          2HT       TYR   1 -12.843  -0.082   3.471
    3    H3   TYR   1          3HT       TYR   1 -11.392  -0.949   3.629
    4    HA   TYR   1           HA       TYR   1 -11.679   1.305   1.777
    5    HB2  TYR   1          2HB       TYR   1 -10.261   1.176   4.464
    6    HB3  TYR   1          1HB       TYR   1 -10.236   2.527   3.354
    7    HD1  TYR   1          1HD       TYR   1 -12.063   0.833   5.972
    8    HD2  TYR   1          2HD       TYR   1 -12.287   3.875   3.011
    9    HE1  TYR   1          1HE       TYR   1 -14.021   1.761   7.083
   10    HE2  TYR   1          2HE       TYR   1 -14.246   4.816   4.116
   11    HH   TYR   1           HH       TYR   1 -15.199   3.823   7.226
   12    H    CYS   2           H        CYS   2  -9.435   1.996   1.216
   13    HA   CYS   2           HA       CYS   2  -7.829  -0.385   0.849
   14    HB2  CYS   2          2HB       CYS   2  -6.542   0.986  -0.768
   15    HB3  CYS   2          1HB       CYS   2  -8.244   0.886  -1.190
   16    H    GLN   3           H        GLN   3  -5.594  -0.294   1.360
   17    HA   GLN   3           HA       GLN   3  -5.176   1.035   3.857
   18    HB2  GLN   3          2HB       GLN   3  -3.307  -0.754   2.283
   19    HB3  GLN   3          1HB       GLN   3  -3.094  -0.220   3.934
   20    HG2  GLN   3          2HG       GLN   3  -5.469  -1.776   3.037
   21    HG3  GLN   3          1HG       GLN   3  -4.009  -2.538   3.654
   22   HE21  GLN   3          1HE2      GLN   3  -3.480  -2.187   5.825
   23   HE22  GLN   3          2HE2      GLN   3  -4.647  -1.679   6.994
   24    H    LYS   4           H        LYS   4  -4.088   2.823   4.154
   25    HA   LYS   4           HA       LYS   4  -3.104   4.265   1.864
   26    HB2  LYS   4          2HB       LYS   4  -3.188   5.063   4.784
   27    HB3  LYS   4          1HB       LYS   4  -2.931   6.137   3.410
   28    HG2  LYS   4          2HG       LYS   4  -5.161   5.685   2.588
   29    HG3  LYS   4          1HG       LYS   4  -5.430   4.532   3.888
   30    HD2  LYS   4          2HD       LYS   4  -5.165   6.390   5.516
   31    HD3  LYS   4          1HD       LYS   4  -5.048   7.518   4.157
   32    HE2  LYS   4          2HE       LYS   4  -7.250   6.775   3.379
   33    HE3  LYS   4          1HE       LYS   4  -7.364   5.682   4.753
   34    HZ1  LYS   4          1HZ       LYS   4  -8.603   7.622   5.172
   35    HZ2  LYS   4          2HZ       LYS   4  -7.341   8.646   4.804
   36    HZ3  LYS   4          3HZ       LYS   4  -7.274   7.692   6.206
   37    H    TRP   5           H        TRP   5  -0.956   5.484   2.233
   38    HA   TRP   5           HA       TRP   5   1.113   3.565   2.215
   39    HB2  TRP   5          2HB       TRP   5   2.664   5.371   1.950
   40    HB3  TRP   5          1HB       TRP   5   1.225   5.743   1.010
   41    HD1  TRP   5           HD       TRP   5  -0.471   7.569   2.209
   42    HE1  TRP   5          1HE       TRP   5   0.115   9.675   3.576
   43    HE3  TRP   5          3HE       TRP   5   4.269   6.349   3.595
   44    HZ2  TRP   5          2HZ       TRP   5   2.273  10.663   5.062
   45    HZ3  TRP   5          3HZ       TRP   5   5.522   7.917   5.011
   46    HH2  TRP   5           HH       TRP   5   4.540  10.027   5.727
   47    H    MET   6           H        MET   6  -0.230   5.387   4.761
   48    HA   MET   6           HA       MET   6   1.947   5.354   6.452
   49    HB2  MET   6          2HB       MET   6   0.130   6.876   6.779
   50    HB3  MET   6          1HB       MET   6  -0.992   5.553   7.062
   51    HG2  MET   6          2HG       MET   6  -0.482   6.586   9.116
   52    HG3  MET   6          1HG       MET   6   0.256   4.993   9.101
   53    HE1  MET   6          1HE       MET   6   1.706   5.767  11.225
   54    HE2  MET   6          2HE       MET   6   1.049   7.403  11.148
   55    HE3  MET   6          3HE       MET   6   2.792   7.156  11.214
   56    H    TRP   7           H        TRP   7  -0.500   3.126   5.623
   57    HA   TRP   7           HA       TRP   7  -0.072   1.355   7.904
   58    HB2  TRP   7          2HB       TRP   7  -2.235   1.328   5.790
   59    HB3  TRP   7          1HB       TRP   7  -2.176   0.264   7.181
   60    HD1  TRP   7           HD       TRP   7  -1.299   2.804   9.186
   61    HE1  TRP   7          1HE       TRP   7  -3.183   4.385   9.945
   62    HE3  TRP   7          3HE       TRP   7  -4.767   1.675   5.637
   63    HZ2  TRP   7          2HZ       TRP   7  -5.804   5.055   9.141
   64    HZ3  TRP   7          3HZ       TRP   7  -6.945   2.825   5.690
   65    HH2  TRP   7           HH       TRP   7  -7.449   4.478   7.417
   66    H    THR   8           H        THR   8  -0.829  -1.041   6.796
   67    HA   THR   8           HA       THR   8   1.250  -1.589   4.801
   68    HB   THR   8           HB       THR   8   1.621  -3.780   5.983
   69    HG1  THR   8          1HG       THR   8  -0.156  -2.623   7.869
   70   HG21  THR   8          1HG2      THR   8   3.055  -1.855   6.623
   71   HG22  THR   8          2HG2      THR   8   2.743  -2.920   7.995
   72   HG23  THR   8          3HG2      THR   8   1.856  -1.405   7.835
   73    H    CYS   9           H        CYS   9   0.569  -3.858   3.537
   74    HA   CYS   9           HA       CYS   9  -2.309  -4.125   3.837
   75    HB2  CYS   9          2HB       CYS   9  -2.585  -4.156   1.389
   76    HB3  CYS   9          1HB       CYS   9  -2.049  -2.598   2.011
   77    H    ASP  10           H        ASP  10  -2.992  -6.002   2.158
   78    HA   ASP  10           HA       ASP  10  -1.107  -8.199   2.456
   79    HB2  ASP  10          2HB       ASP  10  -3.938  -8.250   3.565
   80    HB3  ASP  10          1HB       ASP  10  -2.879  -9.642   3.453
   81    H    SER  11           H        SER  11  -2.641 -10.243   1.568
   82    HA   SER  11           HA       SER  11  -3.420  -9.477  -1.075
   83    HB2  SER  11          2HB       SER  11  -4.065 -11.909  -1.219
   84    HB3  SER  11          1HB       SER  11  -2.395 -11.651  -0.712
   85    HG   SER  11           HG       SER  11  -4.628 -12.477   0.816
   86    H    GLU  12           H        GLU  12  -4.862  -9.848   1.955
   87    HA   GLU  12           HA       GLU  12  -7.586 -10.054   0.966
   88    HB2  GLU  12          2HB       GLU  12  -6.699  -9.679   3.817
   89    HB3  GLU  12          1HB       GLU  12  -8.211 -10.363   3.241
   90    HG2  GLU  12          2HG       GLU  12  -5.473 -11.614   3.060
   91    HG3  GLU  12          1HG       GLU  12  -6.810 -12.125   4.085
   92    H    ARG  13           H        ARG  13  -5.591  -7.798   2.898
   93    HA   ARG  13           HA       ARG  13  -7.569  -5.739   2.673
   94    HB2  ARG  13          2HB       ARG  13  -4.804  -5.695   3.841
   95    HB3  ARG  13          1HB       ARG  13  -6.062  -4.505   4.106
   96    HG2  ARG  13          2HG       ARG  13  -7.389  -6.567   5.035
   97    HG3  ARG  13          1HG       ARG  13  -5.770  -7.251   5.223
   98    HD2  ARG  13          2HD       ARG  13  -6.445  -6.103   7.252
   99    HD3  ARG  13          1HD       ARG  13  -5.106  -5.243   6.475
  100    HE   ARG  13           HE       ARG  13  -7.257  -4.174   5.354
  101   HH11  ARG  13          1HH1      ARG  13  -6.217  -4.448   8.731
  102   HH12  ARG  13          2HH1      ARG  13  -7.086  -3.082   9.253
  103   HH21  ARG  13          1HH2      ARG  13  -8.450  -2.354   6.070
  104   HH22  ARG  13          2HH2      ARG  13  -8.430  -1.887   7.718
  105    H    LYS  14           H        LYS  14  -7.596  -4.612   0.804
  106    HA   LYS  14           HA       LYS  14  -5.259  -4.571  -0.882
  107    HB2  LYS  14          2HB       LYS  14  -6.623  -3.334  -2.507
  108    HB3  LYS  14          1HB       LYS  14  -7.436  -4.790  -1.960
  109    HG2  LYS  14          2HG       LYS  14  -8.935  -3.521  -0.586
  110    HG3  LYS  14          1HG       LYS  14  -8.019  -2.042  -0.869
  111    HD2  LYS  14          2HD       LYS  14 -10.066  -2.089  -2.222
  112    HD3  LYS  14          1HD       LYS  14  -8.628  -2.105  -3.239
  113    HE2  LYS  14          2HE       LYS  14  -8.862  -4.509  -3.551
  114    HE3  LYS  14          1HE       LYS  14 -10.266  -4.526  -2.488
  115    HZ1  LYS  14          1HZ       LYS  14 -11.410  -3.088  -4.082
  116    HZ2  LYS  14          2HZ       LYS  14 -10.942  -4.540  -4.769
  117    HZ3  LYS  14          3HZ       LYS  14 -10.081  -3.140  -5.119
  118    H    CYS  15           H        CYS  15  -3.989  -2.910  -1.320
  119    HA   CYS  15           HA       CYS  15  -3.986  -0.661   0.502
  120    HB2  CYS  15          2HB       CYS  15  -1.922  -2.006  -0.141
  121    HB3  CYS  15          1HB       CYS  15  -2.089  -1.318  -1.747
  122    H    CYS  16           H        CYS  16  -3.764   1.525  -0.372
  123    HA   CYS  16           HA       CYS  16  -5.676   2.033  -2.397
  124    HB2  CYS  16          2HB       CYS  16  -3.675   3.886  -1.094
  125    HB3  CYS  16          1HB       CYS  16  -5.008   4.389  -2.123
  126    H    LYS  17           H        LYS  17  -5.413   2.626  -4.449
  127    HA   LYS  17           HA       LYS  17  -2.989   1.710  -5.628
  128    HB2  LYS  17          2HB       LYS  17  -5.507   2.798  -6.878
  129    HB3  LYS  17          1HB       LYS  17  -4.176   2.060  -7.768
  130    HG2  LYS  17          2HG       LYS  17  -4.500  -0.030  -6.541
  131    HG3  LYS  17          1HG       LYS  17  -5.823   0.700  -5.644
  132    HD2  LYS  17          2HD       LYS  17  -6.702  -0.695  -7.387
  133    HD3  LYS  17          1HD       LYS  17  -7.044   0.989  -7.768
  134    HE2  LYS  17          2HE       LYS  17  -5.251   1.047  -9.373
  135    HE3  LYS  17          1HE       LYS  17  -4.724  -0.568  -8.899
  136    HZ1  LYS  17          1HZ       LYS  17  -6.704  -1.494  -9.761
  137    HZ2  LYS  17          2HZ       LYS  17  -6.092  -0.466 -10.976
  138    HZ3  LYS  17          3HZ       LYS  17  -7.396   0.009 -10.018
  139    H    GLY  18           H        GLY  18  -1.510   2.856  -6.670
  140    HA2  GLY  18          2HA       GLY  18  -0.569   4.985  -7.325
  141    HA3  GLY  18          1HA       GLY  18  -1.524   5.728  -6.032
  142    H    MET  19           H        MET  19  -0.992   3.184  -4.456
  143    HA   MET  19           HA       MET  19   1.784   3.704  -3.676
  144    HB2  MET  19          2HB       MET  19  -0.497   2.439  -2.127
  145    HB3  MET  19          1HB       MET  19   1.172   2.357  -1.611
  146    HG2  MET  19          2HG       MET  19   0.272   4.019  -0.331
  147    HG3  MET  19          1HG       MET  19   1.112   4.882  -1.596
  148    HE1  MET  19          1HE       MET  19  -0.257   7.099  -0.872
  149    HE2  MET  19          2HE       MET  19  -1.169   6.173   0.320
  150    HE3  MET  19          3HE       MET  19  -2.018   7.184  -0.849
  151    H    VAL  20           H        VAL  20   2.789   1.616  -2.845
  152    HA   VAL  20           HA       VAL  20   2.152  -0.551  -4.746
  153    HB   VAL  20           HB       VAL  20   4.663  -0.307  -3.070
  154   HG11  VAL  20          1HG1      VAL  20   4.223  -2.528  -3.863
  155   HG12  VAL  20          2HG1      VAL  20   5.635  -1.858  -4.677
  156   HG13  VAL  20          3HG1      VAL  20   4.090  -1.942  -5.521
  157   HG21  VAL  20          1HG2      VAL  20   5.833   0.561  -5.028
  158   HG22  VAL  20          2HG2      VAL  20   4.543   1.657  -4.527
  159   HG23  VAL  20          3HG2      VAL  20   4.317   0.600  -5.922
  160    H    CYS  21           H        CYS  21   1.172  -2.282  -3.890
  161    HA   CYS  21           HA       CYS  21   0.872  -2.421  -1.033
  162    HB2  CYS  21          2HB       CYS  21  -1.026  -2.878  -2.635
  163    HB3  CYS  21          1HB       CYS  21  -0.181  -4.347  -3.103
  164    H    ARG  22           H        ARG  22   2.163  -3.477   0.213
  165    HA   ARG  22           HA       ARG  22   3.334  -6.009  -0.497
  166    HB2  ARG  22          2HB       ARG  22   4.912  -3.510   0.034
  167    HB3  ARG  22          1HB       ARG  22   5.600  -5.039   0.482
  168    HG2  ARG  22          2HG       ARG  22   4.872  -4.124  -2.279
  169    HG3  ARG  22          1HG       ARG  22   6.459  -4.296  -1.481
  170    HD2  ARG  22          2HD       ARG  22   6.093  -6.175  -3.024
  171    HD3  ARG  22          1HD       ARG  22   6.178  -6.702  -1.351
  172    HE   ARG  22           HE       ARG  22   3.522  -6.247  -2.400
  173   HH11  ARG  22          1HH1      ARG  22   6.074  -8.649  -1.792
  174   HH12  ARG  22          2HH1      ARG  22   5.011  -9.983  -1.858
  175   HH21  ARG  22          1HH2      ARG  22   2.097  -8.136  -2.513
  176   HH22  ARG  22          2HH2      ARG  22   2.750  -9.694  -2.319
  177    H    LEU  23           H        LEU  23   5.101  -5.978   1.629
  178    HA   LEU  23           HA       LEU  23   3.550  -6.679   3.862
  179    HB2  LEU  23          2HB       LEU  23   5.881  -7.413   3.503
  180    HB3  LEU  23          1HB       LEU  23   6.447  -5.785   3.794
  181    HG   LEU  23           HG       LEU  23   5.642  -5.970   6.132
  182   HD11  LEU  23          1HD1      LEU  23   5.093  -8.839   5.394
  183   HD12  LEU  23          2HD1      LEU  23   3.894  -7.623   5.844
  184   HD13  LEU  23          3HD1      LEU  23   5.076  -8.177   7.027
  185   HD21  LEU  23          1HD2      LEU  23   7.563  -8.118   5.251
  186   HD22  LEU  23          2HD2      LEU  23   7.416  -7.469   6.886
  187   HD23  LEU  23          3HD2      LEU  23   7.963  -6.432   5.570
  188    H    TRP  24           H        TRP  24   4.556  -3.613   2.709
  189    HA   TRP  24           HA       TRP  24   2.972  -2.373   4.734
  190    HB2  TRP  24          2HB       TRP  24   4.550  -0.643   5.239
  191    HB3  TRP  24          1HB       TRP  24   5.479  -2.129   5.333
  192    HD1  TRP  24           HD       TRP  24   5.335   1.156   3.682
  193    HE1  TRP  24          1HE       TRP  24   7.273   1.428   1.963
  194    HE3  TRP  24          3HE       TRP  24   6.936  -3.665   3.532
  195    HZ2  TRP  24          2HZ       TRP  24   9.197  -0.220   0.726
  196    HZ3  TRP  24          3HZ       TRP  24   8.821  -4.249   2.053
  197    HH2  TRP  24           HH       TRP  24   9.920  -2.557   0.685
  198    H    CYS  25           H        CYS  25   2.224  -0.176   3.792
  199    HA   CYS  25           HA       CYS  25   2.074  -0.417   0.921
  200    HB2  CYS  25          2HB       CYS  25   0.691   1.342   2.925
  201    HB3  CYS  25          1HB       CYS  25   0.664   1.727   1.208
  202    H    LYS  26           H        LYS  26   3.421   0.507  -0.333
  203    HA   LYS  26           HA       LYS  26   5.314   2.400   0.812
  204    HB2  LYS  26          2HB       LYS  26   6.243   0.508  -0.454
  205    HB3  LYS  26          1HB       LYS  26   5.310   1.009  -1.861
  206    HG2  LYS  26          2HG       LYS  26   6.548   3.160  -1.853
  207    HG3  LYS  26          1HG       LYS  26   7.565   2.513  -0.570
  208    HD2  LYS  26          2HD       LYS  26   8.325   0.738  -2.029
  209    HD3  LYS  26          1HD       LYS  26   7.245   1.302  -3.310
  210    HE2  LYS  26          2HE       LYS  26   8.419   3.446  -3.348
  211    HE3  LYS  26          1HE       LYS  26   9.511   2.876  -2.093
  212    HZ1  LYS  26          1HZ       LYS  26   9.234   1.802  -4.838
  213    HZ2  LYS  26          2HZ       LYS  26  10.199   1.103  -3.652
  214    HZ3  LYS  26          3HZ       LYS  26  10.553   2.645  -4.217
  215    H    LYS  27           H        LYS  27   4.979   4.471   0.558
  216    HA   LYS  27           HA       LYS  27   3.063   5.561  -1.222
  217    HB2  LYS  27          2HB       LYS  27   3.954   7.740  -0.590
  218    HB3  LYS  27          1HB       LYS  27   3.744   6.744   0.831
  219    HG2  LYS  27          2HG       LYS  27   6.163   6.252   0.814
  220    HG3  LYS  27          1HG       LYS  27   6.342   7.298  -0.590
  221    HD2  LYS  27          2HD       LYS  27   5.390   8.151   2.152
  222    HD3  LYS  27          1HD       LYS  27   6.993   8.428   1.485
  223    HE2  LYS  27          2HE       LYS  27   4.404   9.563   0.412
  224    HE3  LYS  27          1HE       LYS  27   5.595  10.429   1.369
  225    HZ1  LYS  27          1HZ       LYS  27   5.982   9.360  -1.382
  226    HZ2  LYS  27          2HZ       LYS  27   7.211  10.015  -0.448
  227    HZ3  LYS  27          3HZ       LYS  27   5.916  10.975  -0.909
  228    H    LYS  28           H        LYS  28   3.398   6.709  -3.079
  229    HA   LYS  28           HA       LYS  28   4.196   7.192  -5.111
  230    HB2  LYS  28          2HB       LYS  28   6.021   8.311  -3.830
  231    HB3  LYS  28          1HB       LYS  28   6.938   6.822  -3.874
  232    HG2  LYS  28          2HG       LYS  28   7.251   7.019  -6.240
  233    HG3  LYS  28          1HG       LYS  28   6.138   8.395  -6.305
  234    HD2  LYS  28          2HD       LYS  28   7.626   9.670  -4.832
  235    HD3  LYS  28          1HD       LYS  28   8.748   8.315  -4.792
  236    HE2  LYS  28          2HE       LYS  28   7.927   9.758  -7.301
  237    HE3  LYS  28          1HE       LYS  28   9.353  10.169  -6.362
  238    HZ1  LYS  28          1HZ       LYS  28  10.231   7.985  -6.780
  239    HZ2  LYS  28          2HZ       LYS  28   9.836   8.741  -8.244
  240    HZ3  LYS  28          3HZ       LYS  28   8.857   7.525  -7.644
  241    H    LEU  29           H        LEU  29   3.414   5.668  -6.279
  242    HA   LEU  29           HA       LEU  29   3.772   2.958  -6.246
  243    HB2  LEU  29          2HB       LEU  29   1.952   4.131  -7.374
  244    HB3  LEU  29          1HB       LEU  29   3.062   4.709  -8.593
  245    HG   LEU  29           HG       LEU  29   3.400   2.377  -9.355
  246   HD11  LEU  29          1HD1      LEU  29   1.230   1.731  -7.362
  247   HD12  LEU  29          2HD1      LEU  29   2.909   1.195  -7.288
  248   HD13  LEU  29          3HD1      LEU  29   1.861   0.633  -8.588
  249   HD21  LEU  29          1HD2      LEU  29   0.536   3.301  -9.264
  250   HD22  LEU  29          2HD2      LEU  29   1.203   2.126 -10.398
  251   HD23  LEU  29          3HD2      LEU  29   1.757   3.800 -10.433
  252    H    TRP  30           H        TRP  30   5.572   5.302  -8.201
  253    HA   TRP  30           HA       TRP  30   7.814   3.561  -8.322
  254    HB2  TRP  30          2HB       TRP  30   6.290   2.706 -10.181
  255    HB3  TRP  30          1HB       TRP  30   6.497   4.271 -10.952
  256    HD1  TRP  30           HD       TRP  30   8.817   4.717 -12.195
  257    HE1  TRP  30          1HE       TRP  30  10.702   3.163 -12.946
  258    HE3  TRP  30          3HE       TRP  30   7.605   0.619  -9.417
  259    HZ2  TRP  30          2HZ       TRP  30  11.579   0.508 -12.410
  260    HZ3  TRP  30          3HZ       TRP  30   9.024  -1.386  -9.596
  261    HH2  TRP  30           HH       TRP  30  10.962  -1.429 -11.068
  Start of MODEL   12
    1    H1   TYR   1          1HT       TYR   1 -12.591   0.842   1.826
    2    H2   TYR   1          2HT       TYR   1 -13.244   1.520   3.220
    3    H3   TYR   1          3HT       TYR   1 -12.216   0.163   3.308
    4    HA   TYR   1           HA       TYR   1 -11.412   2.826   2.337
    5    HB2  TYR   1          2HB       TYR   1 -10.719   1.370   4.904
    6    HB3  TYR   1          1HB       TYR   1  -9.980   2.864   4.372
    7    HD1  TYR   1          1HD       TYR   1 -13.050   1.340   5.727
    8    HD2  TYR   1          2HD       TYR   1 -11.110   4.978   4.664
    9    HE1  TYR   1          1HE       TYR   1 -14.751   2.595   6.943
   10    HE2  TYR   1          2HE       TYR   1 -12.813   6.246   5.878
   11    HH   TYR   1           HH       TYR   1 -14.999   4.786   8.024
   12    H    CYS   2           H        CYS   2  -9.260   2.894   1.668
   13    HA   CYS   2           HA       CYS   2  -8.127   0.291   1.008
   14    HB2  CYS   2          2HB       CYS   2  -6.614   1.659  -0.444
   15    HB3  CYS   2          1HB       CYS   2  -8.316   1.779  -0.870
   16    H    GLN   3           H        GLN   3  -5.690   0.157   1.289
   17    HA   GLN   3           HA       GLN   3  -5.113   1.091   3.917
   18    HB2  GLN   3          2HB       GLN   3  -3.377  -0.508   2.045
   19    HB3  GLN   3          1HB       GLN   3  -3.065  -0.214   3.739
   20    HG2  GLN   3          2HG       GLN   3  -5.412  -1.730   2.649
   21    HG3  GLN   3          1HG       GLN   3  -3.971  -2.445   3.363
   22   HE21  GLN   3          1HE2      GLN   3  -3.652  -2.221   5.583
   23   HE22  GLN   3          2HE2      GLN   3  -4.963  -1.826   6.649
   24    H    LYS   4           H        LYS   4  -4.177   2.958   4.316
   25    HA   LYS   4           HA       LYS   4  -3.127   4.586   2.233
   26    HB2  LYS   4          2HB       LYS   4  -3.130   4.960   5.226
   27    HB3  LYS   4          1HB       LYS   4  -2.450   6.130   4.112
   28    HG2  LYS   4          2HG       LYS   4  -4.718   6.287   3.058
   29    HG3  LYS   4          1HG       LYS   4  -5.320   5.293   4.395
   30    HD2  LYS   4          2HD       LYS   4  -4.564   6.941   6.003
   31    HD3  LYS   4          1HD       LYS   4  -3.849   7.911   4.720
   32    HE2  LYS   4          2HE       LYS   4  -5.947   8.893   5.373
   33    HE3  LYS   4          1HE       LYS   4  -6.099   8.219   3.759
   34    HZ1  LYS   4          1HZ       LYS   4  -7.186   6.286   4.729
   35    HZ2  LYS   4          2HZ       LYS   4  -8.021   7.700   5.061
   36    HZ3  LYS   4          3HZ       LYS   4  -7.085   6.977   6.270
   37    H    TRP   5           H        TRP   5  -1.023   5.781   2.787
   38    HA   TRP   5           HA       TRP   5   1.141   4.054   2.288
   39    HB2  TRP   5          2HB       TRP   5   2.494   6.091   2.392
   40    HB3  TRP   5          1HB       TRP   5   1.012   6.388   1.499
   41    HD1  TRP   5           HD       TRP   5   2.819   7.374   4.714
   42    HE1  TRP   5          1HE       TRP   5   1.644   9.400   5.780
   43    HE3  TRP   5          3HE       TRP   5  -1.330   7.603   1.704
   44    HZ2  TRP   5          2HZ       TRP   5  -0.722  10.887   5.404
   45    HZ3  TRP   5          3HZ       TRP   5  -2.986   9.353   2.144
   46    HH2  TRP   5           HH       TRP   5  -2.684  10.958   3.954
   47    H    MET   6           H        MET   6  -0.239   5.305   5.123
   48    HA   MET   6           HA       MET   6   2.027   4.832   6.846
   49    HB2  MET   6          2HB       MET   6   0.574   6.763   7.172
   50    HB3  MET   6          1HB       MET   6  -0.806   5.710   7.408
   51    HG2  MET   6          2HG       MET   6   0.113   4.864   9.441
   52    HG3  MET   6          1HG       MET   6   1.613   5.742   9.156
   53    HE1  MET   6          1HE       MET   6   0.509   8.599   8.101
   54    HE2  MET   6          2HE       MET   6   1.804   8.408   9.280
   55    HE3  MET   6          3HE       MET   6   0.451   9.484   9.626
   56    H    TRP   7           H        TRP   7  -0.527   3.090   5.606
   57    HA   TRP   7           HA       TRP   7  -0.496   1.194   7.823
   58    HB2  TRP   7          2HB       TRP   7  -2.535   1.568   5.623
   59    HB3  TRP   7          1HB       TRP   7  -2.558   0.201   6.729
   60    HD1  TRP   7           HD       TRP   7  -1.632   2.357   9.218
   61    HE1  TRP   7          1HE       TRP   7  -3.547   3.646  10.324
   62    HE3  TRP   7          3HE       TRP   7  -5.185   1.775   5.604
   63    HZ2  TRP   7          2HZ       TRP   7  -6.219   4.319   9.743
   64    HZ3  TRP   7          3HZ       TRP   7  -7.403   2.771   5.954
   65    HH2  TRP   7           HH       TRP   7  -7.909   4.018   7.990
   66    H    THR   8           H        THR   8  -1.178  -1.138   6.702
   67    HA   THR   8           HA       THR   8   1.021  -1.655   4.859
   68    HB   THR   8           HB       THR   8   1.427  -3.759   6.186
   69    HG1  THR   8          1HG       THR   8   0.445  -3.946   8.192
   70   HG21  THR   8          1HG2      THR   8   2.502  -2.699   8.126
   71   HG22  THR   8          2HG2      THR   8   1.560  -1.234   7.858
   72   HG23  THR   8          3HG2      THR   8   2.772  -1.720   6.682
   73    H    CYS   9           H        CYS   9   0.577  -3.947   3.596
   74    HA   CYS   9           HA       CYS   9  -2.282  -4.482   3.745
   75    HB2  CYS   9          2HB       CYS   9  -2.402  -4.700   1.327
   76    HB3  CYS   9          1HB       CYS   9  -1.864  -3.083   1.772
   77    H    ASP  10           H        ASP  10  -2.674  -6.551   2.272
   78    HA   ASP  10           HA       ASP  10  -0.637  -8.567   2.740
   79    HB2  ASP  10          2HB       ASP  10  -3.424  -8.736   3.909
   80    HB3  ASP  10          1HB       ASP  10  -2.247 -10.039   3.938
   81    H    SER  11           H        SER  11  -2.474 -10.714   2.276
   82    HA   SER  11           HA       SER  11  -2.737 -10.580  -0.486
   83    HB2  SER  11          2HB       SER  11  -4.073 -12.490   1.443
   84    HB3  SER  11          1HB       SER  11  -3.821 -12.745  -0.281
   85    HG   SER  11           HG       SER  11  -2.237 -13.792   0.833
   86    H    GLU  12           H        GLU  12  -5.131 -10.156   2.109
   87    HA   GLU  12           HA       GLU  12  -7.153  -9.665   0.092
   88    HB2  GLU  12          2HB       GLU  12  -7.446  -9.681   3.100
   89    HB3  GLU  12          1HB       GLU  12  -8.748  -9.471   1.950
   90    HG2  GLU  12          2HG       GLU  12  -7.006 -11.907   2.169
   91    HG3  GLU  12          1HG       GLU  12  -8.633 -11.745   2.826
   92    H    ARG  13           H        ARG  13  -5.814  -7.812   2.841
   93    HA   ARG  13           HA       ARG  13  -7.180  -5.432   2.183
   94    HB2  ARG  13          2HB       ARG  13  -4.609  -5.781   3.737
   95    HB3  ARG  13          1HB       ARG  13  -5.471  -4.259   3.596
   96    HG2  ARG  13          2HG       ARG  13  -7.432  -5.319   4.672
   97    HG3  ARG  13          1HG       ARG  13  -6.484  -6.780   4.909
   98    HD2  ARG  13          2HD       ARG  13  -5.874  -4.046   6.022
   99    HD3  ARG  13          1HD       ARG  13  -6.512  -5.413   6.929
  100    HE   ARG  13           HE       ARG  13  -4.133  -6.293   5.845
  101   HH11  ARG  13          1HH1      ARG  13  -5.090  -3.745   8.109
  102   HH12  ARG  13          2HH1      ARG  13  -3.563  -3.688   8.870
  103   HH21  ARG  13          1HH2      ARG  13  -2.153  -6.224   6.896
  104   HH22  ARG  13          2HH2      ARG  13  -1.846  -5.137   8.198
  105    H    LYS  14           H        LYS  14  -6.935  -4.019   0.625
  106    HA   LYS  14           HA       LYS  14  -4.512  -4.128  -1.022
  107    HB2  LYS  14          2HB       LYS  14  -5.884  -3.109  -2.791
  108    HB3  LYS  14          1HB       LYS  14  -6.580  -4.623  -2.234
  109    HG2  LYS  14          2HG       LYS  14  -8.222  -3.390  -0.897
  110    HG3  LYS  14          1HG       LYS  14  -7.501  -1.871  -1.407
  111    HD2  LYS  14          2HD       LYS  14  -8.801  -3.889  -3.245
  112    HD3  LYS  14          1HD       LYS  14  -9.563  -2.414  -2.655
  113    HE2  LYS  14          2HE       LYS  14  -7.749  -1.106  -3.749
  114    HE3  LYS  14          1HE       LYS  14  -7.118  -2.613  -4.410
  115    HZ1  LYS  14          1HZ       LYS  14  -8.474  -1.510  -6.039
  116    HZ2  LYS  14          2HZ       LYS  14  -9.761  -1.401  -4.990
  117    HZ3  LYS  14          3HZ       LYS  14  -9.277  -2.908  -5.565
  118    H    CYS  15           H        CYS  15  -3.417  -2.242  -1.548
  119    HA   CYS  15           HA       CYS  15  -3.674  -0.032   0.284
  120    HB2  CYS  15          2HB       CYS  15  -1.838  -0.334  -2.100
  121    HB3  CYS  15          1HB       CYS  15  -1.686   0.829  -0.793
  122    H    CYS  16           H        CYS  16  -3.691   2.151  -0.519
  123    HA   CYS  16           HA       CYS  16  -5.884   2.614  -2.241
  124    HB2  CYS  16          2HB       CYS  16  -3.752   4.560  -1.350
  125    HB3  CYS  16          1HB       CYS  16  -5.336   4.972  -2.005
  126    H    LYS  17           H        LYS  17  -5.938   3.687  -4.278
  127    HA   LYS  17           HA       LYS  17  -4.329   2.599  -6.266
  128    HB2  LYS  17          2HB       LYS  17  -6.543   3.454  -6.741
  129    HB3  LYS  17          1HB       LYS  17  -6.064   5.073  -6.271
  130    HG2  LYS  17          2HG       LYS  17  -6.227   4.924  -8.679
  131    HG3  LYS  17          1HG       LYS  17  -4.552   5.176  -8.204
  132    HD2  LYS  17          2HD       LYS  17  -4.097   2.795  -8.536
  133    HD3  LYS  17          1HD       LYS  17  -5.784   2.536  -8.991
  134    HE2  LYS  17          2HE       LYS  17  -5.508   4.084 -10.876
  135    HE3  LYS  17          1HE       LYS  17  -3.825   4.330 -10.420
  136    HZ1  LYS  17          1HZ       LYS  17  -4.110   2.741 -12.233
  137    HZ2  LYS  17          2HZ       LYS  17  -5.001   1.734 -11.238
  138    HZ3  LYS  17          3HZ       LYS  17  -3.372   2.023 -10.907
  139    H    GLY  18           H        GLY  18  -2.298   3.000  -6.783
  140    HA2  GLY  18          2HA       GLY  18  -0.630   4.546  -7.541
  141    HA3  GLY  18          1HA       GLY  18  -1.261   5.724  -6.393
  142    H    MET  19           H        MET  19  -1.151   2.597  -5.133
  143    HA   MET  19           HA       MET  19   1.520   3.013  -3.999
  144    HB2  MET  19          2HB       MET  19  -0.972   2.009  -2.603
  145    HB3  MET  19          1HB       MET  19   0.643   1.973  -1.907
  146    HG2  MET  19          2HG       MET  19   0.769   4.307  -1.876
  147    HG3  MET  19          1HG       MET  19  -0.743   4.495  -2.781
  148    HE1  MET  19          1HE       MET  19  -0.369   6.208  -0.283
  149    HE2  MET  19          2HE       MET  19  -1.875   5.919   0.593
  150    HE3  MET  19          3HE       MET  19  -1.895   6.088  -1.161
  151    H    VAL  20           H        VAL  20   2.538   1.006  -3.353
  152    HA   VAL  20           HA       VAL  20   1.540  -1.237  -4.948
  153    HB   VAL  20           HB       VAL  20   3.808  -2.186  -4.919
  154   HG11  VAL  20          1HG1      VAL  20   3.246  -0.698  -6.747
  155   HG12  VAL  20          2HG1      VAL  20   4.957  -0.582  -6.336
  156   HG13  VAL  20          3HG1      VAL  20   3.840   0.678  -5.816
  157   HG21  VAL  20          1HG2      VAL  20   4.624   0.306  -3.433
  158   HG22  VAL  20          2HG2      VAL  20   5.724  -0.934  -4.046
  159   HG23  VAL  20          3HG2      VAL  20   4.571  -1.326  -2.767
  160    H    CYS  21           H        CYS  21   1.373  -3.217  -4.015
  161    HA   CYS  21           HA       CYS  21   0.941  -3.074  -1.161
  162    HB2  CYS  21          2HB       CYS  21  -0.794  -3.988  -2.786
  163    HB3  CYS  21          1HB       CYS  21   0.271  -5.369  -3.018
  164    H    ARG  22           H        ARG  22   1.990  -4.264   0.307
  165    HA   ARG  22           HA       ARG  22   3.758  -6.389  -0.137
  166    HB2  ARG  22          2HB       ARG  22   5.030  -4.351  -1.056
  167    HB3  ARG  22          1HB       ARG  22   5.030  -3.737   0.585
  168    HG2  ARG  22          2HG       ARG  22   6.401  -5.531   1.347
  169    HG3  ARG  22          1HG       ARG  22   6.229  -6.387  -0.193
  170    HD2  ARG  22          2HD       ARG  22   7.374  -4.648  -1.314
  171    HD3  ARG  22          1HD       ARG  22   7.475  -3.695   0.176
  172    HE   ARG  22           HE       ARG  22   8.641  -6.163   0.664
  173   HH11  ARG  22          1HH1      ARG  22   9.322  -3.430  -1.488
  174   HH12  ARG  22          2HH1      ARG  22  11.011  -3.616  -1.441
  175   HH21  ARG  22          1HH2      ARG  22  10.981  -6.453   0.697
  176   HH22  ARG  22          2HH2      ARG  22  11.965  -5.380  -0.174
  177    H    LEU  23           H        LEU  23   5.147  -6.323   2.189
  178    HA   LEU  23           HA       LEU  23   3.515  -6.637   4.329
  179    HB2  LEU  23          2HB       LEU  23   6.349  -5.623   4.338
  180    HB3  LEU  23          1HB       LEU  23   5.505  -6.167   5.770
  181    HG   LEU  23           HG       LEU  23   6.201  -7.865   3.376
  182   HD11  LEU  23          1HD1      LEU  23   8.148  -7.263   4.692
  183   HD12  LEU  23          2HD1      LEU  23   7.750  -8.968   4.922
  184   HD13  LEU  23          3HD1      LEU  23   7.334  -7.789   6.165
  185   HD21  LEU  23          1HD2      LEU  23   5.434  -9.742   4.764
  186   HD22  LEU  23          2HD2      LEU  23   4.126  -8.621   4.413
  187   HD23  LEU  23          3HD2      LEU  23   4.899  -8.606   6.001
  188    H    TRP  24           H        TRP  24   4.598  -3.605   3.016
  189    HA   TRP  24           HA       TRP  24   2.736  -2.335   4.774
  190    HB2  TRP  24          2HB       TRP  24   4.190  -0.476   5.268
  191    HB3  TRP  24          1HB       TRP  24   5.100  -1.933   5.629
  192    HD1  TRP  24           HD       TRP  24   5.055   1.089   3.520
  193    HE1  TRP  24          1HE       TRP  24   7.250   1.259   2.108
  194    HE3  TRP  24          3HE       TRP  24   6.907  -3.541   4.430
  195    HZ2  TRP  24          2HZ       TRP  24   9.448  -0.419   1.487
  196    HZ3  TRP  24          3HZ       TRP  24   9.047  -4.210   3.401
  197    HH2  TRP  24           HH       TRP  24  10.285  -2.672   1.962
  198    H    CYS  25           H        CYS  25   1.971  -0.211   3.671
  199    HA   CYS  25           HA       CYS  25   1.960  -0.644   0.808
  200    HB2  CYS  25          2HB       CYS  25   0.400   1.265   2.558
  201    HB3  CYS  25          1HB       CYS  25   0.298   1.260   0.801
  202    H    LYS  26           H        LYS  26   3.102   0.443  -0.567
  203    HA   LYS  26           HA       LYS  26   4.600   2.774   0.410
  204    HB2  LYS  26          2HB       LYS  26   6.094   0.872   0.139
  205    HB3  LYS  26          1HB       LYS  26   5.490   0.596  -1.488
  206    HG2  LYS  26          2HG       LYS  26   6.420   2.688  -2.227
  207    HG3  LYS  26          1HG       LYS  26   6.947   3.065  -0.597
  208    HD2  LYS  26          2HD       LYS  26   8.838   2.259  -1.904
  209    HD3  LYS  26          1HD       LYS  26   8.427   1.045  -0.691
  210    HE2  LYS  26          2HE       LYS  26   7.230  -0.251  -2.336
  211    HE3  LYS  26          1HE       LYS  26   7.487   0.998  -3.550
  212    HZ1  LYS  26          1HZ       LYS  26   9.869   0.549  -3.407
  213    HZ2  LYS  26          2HZ       LYS  26   8.989  -0.807  -3.850
  214    HZ3  LYS  26          3HZ       LYS  26   9.591  -0.687  -2.292
  215    H    LYS  27           H        LYS  27   4.725   4.512  -0.988
  216    HA   LYS  27           HA       LYS  27   2.606   4.716  -2.892
  217    HB2  LYS  27          2HB       LYS  27   4.898   6.600  -2.396
  218    HB3  LYS  27          1HB       LYS  27   3.438   6.965  -3.290
  219    HG2  LYS  27          2HG       LYS  27   2.083   6.729  -1.302
  220    HG3  LYS  27          1HG       LYS  27   3.500   6.257  -0.364
  221    HD2  LYS  27          2HD       LYS  27   4.507   8.452  -0.797
  222    HD3  LYS  27          1HD       LYS  27   3.079   8.914  -1.725
  223    HE2  LYS  27          2HE       LYS  27   1.692   8.665   0.255
  224    HE3  LYS  27          1HE       LYS  27   3.087   8.135   1.187
  225    HZ1  LYS  27          1HZ       LYS  27   4.088  10.309   0.864
  226    HZ2  LYS  27          2HZ       LYS  27   2.570  10.450   1.576
  227    HZ3  LYS  27          3HZ       LYS  27   2.753  10.804  -0.057
  228    H    LYS  28           H        LYS  28   2.681   4.692  -5.027
  229    HA   LYS  28           HA       LYS  28   5.149   3.731  -6.266
  230    HB2  LYS  28          2HB       LYS  28   3.007   2.386  -6.515
  231    HB3  LYS  28          1HB       LYS  28   2.330   3.748  -7.379
  232    HG2  LYS  28          2HG       LYS  28   4.062   3.510  -9.109
  233    HG3  LYS  28          1HG       LYS  28   4.710   2.120  -8.243
  234    HD2  LYS  28          2HD       LYS  28   2.540   0.971  -8.497
  235    HD3  LYS  28          1HD       LYS  28   1.935   2.346  -9.419
  236    HE2  LYS  28          2HE       LYS  28   3.687   1.979 -11.104
  237    HE3  LYS  28          1HE       LYS  28   4.283   0.604 -10.178
  238    HZ1  LYS  28          1HZ       LYS  28   2.886  -0.100 -12.003
  239    HZ2  LYS  28          2HZ       LYS  28   1.594   0.813 -11.422
  240    HZ3  LYS  28          3HZ       LYS  28   2.162  -0.506 -10.539
  241    H    LEU  29           H        LEU  29   6.124   5.730  -6.386
  242    HA   LEU  29           HA       LEU  29   4.771   7.724  -8.062
  243    HB2  LEU  29          2HB       LEU  29   6.208   9.433  -7.137
  244    HB3  LEU  29          1HB       LEU  29   5.424   8.568  -5.840
  245    HG   LEU  29           HG       LEU  29   8.305   8.100  -6.665
  246   HD11  LEU  29          1HD1      LEU  29   8.013  10.394  -5.916
  247   HD12  LEU  29          2HD1      LEU  29   8.911   9.455  -4.725
  248   HD13  LEU  29          3HD1      LEU  29   7.208   9.827  -4.454
  249   HD21  LEU  29          1HD2      LEU  29   7.386   6.226  -5.402
  250   HD22  LEU  29          2HD2      LEU  29   6.761   7.330  -4.180
  251   HD23  LEU  29          3HD2      LEU  29   8.500   7.139  -4.386
  252    H    TRP  30           H        TRP  30   6.655   5.285  -8.503
  253    HA   TRP  30           HA       TRP  30   8.731   6.543 -10.094
  254    HB2  TRP  30          2HB       TRP  30   8.225   3.618  -9.477
  255    HB3  TRP  30          1HB       TRP  30   9.631   4.269 -10.314
  256    HD1  TRP  30           HD       TRP  30   8.118   3.864  -6.850
  257    HE1  TRP  30          1HE       TRP  30   9.890   4.478  -5.093
  258    HE3  TRP  30          3HE       TRP  30  11.730   5.710  -9.942
  259    HZ2  TRP  30          2HZ       TRP  30  12.477   5.578  -5.020
  260    HZ3  TRP  30          3HZ       TRP  30  13.820   6.516  -8.951
  261    HH2  TRP  30           HH       TRP  30  14.186   6.452  -6.541
  Start of MODEL   13
    1    H1   TYR   1          1HT       TYR   1 -10.444   2.420   4.709
    2    H2   TYR   1          2HT       TYR   1 -10.156   0.965   5.514
    3    H3   TYR   1          3HT       TYR   1 -11.638   1.714   5.710
    4    HA   TYR   1           HA       TYR   1 -11.779  -0.178   4.279
    5    HB2  TYR   1          2HB       TYR   1 -11.974   2.423   2.726
    6    HB3  TYR   1          1HB       TYR   1 -12.681   0.898   2.225
    7    HD1  TYR   1          1HD       TYR   1 -12.894   3.657   4.666
    8    HD2  TYR   1          2HD       TYR   1 -14.715   0.115   3.190
    9    HE1  TYR   1          1HE       TYR   1 -14.930   4.206   5.886
   10    HE2  TYR   1          2HE       TYR   1 -16.760   0.657   4.404
   11    HH   TYR   1           HH       TYR   1 -17.300   3.701   5.798
   12    H    CYS   2           H        CYS   2 -10.108   2.238   2.301
   13    HA   CYS   2           HA       CYS   2  -8.522   0.178   1.064
   14    HB2  CYS   2          2HB       CYS   2  -9.456   2.178  -0.173
   15    HB3  CYS   2          1HB       CYS   2  -8.393   3.184   0.810
   16    H    GLN   3           H        GLN   3  -6.072   0.515   1.107
   17    HA   GLN   3           HA       GLN   3  -5.508   1.265   3.844
   18    HB2  GLN   3          2HB       GLN   3  -3.782  -0.538   2.170
   19    HB3  GLN   3          1HB       GLN   3  -3.619  -0.213   3.886
   20    HG2  GLN   3          2HG       GLN   3  -6.154  -1.088   3.866
   21    HG3  GLN   3          1HG       GLN   3  -5.518  -1.952   2.466
   22   HE21  GLN   3          1HE2      GLN   3  -5.453  -1.640   5.857
   23   HE22  GLN   3          2HE2      GLN   3  -4.468  -3.013   6.166
   24    H    LYS   4           H        LYS   4  -4.356   2.777   4.392
   25    HA   LYS   4           HA       LYS   4  -3.426   4.688   2.467
   26    HB2  LYS   4          2HB       LYS   4  -3.284   4.721   5.480
   27    HB3  LYS   4          1HB       LYS   4  -3.081   6.102   4.410
   28    HG2  LYS   4          2HG       LYS   4  -5.404   5.911   3.695
   29    HG3  LYS   4          1HG       LYS   4  -5.609   4.488   4.716
   30    HD2  LYS   4          2HD       LYS   4  -5.077   5.878   6.690
   31    HD3  LYS   4          1HD       LYS   4  -4.988   7.292   5.639
   32    HE2  LYS   4          2HE       LYS   4  -7.326   6.923   4.973
   33    HE3  LYS   4          1HE       LYS   4  -7.403   5.538   6.059
   34    HZ1  LYS   4          1HZ       LYS   4  -8.342   7.461   7.112
   35    HZ2  LYS   4          2HZ       LYS   4  -6.954   8.359   6.816
   36    HZ3  LYS   4          3HZ       LYS   4  -6.903   7.072   7.907
   37    H    TRP   5           H        TRP   5  -1.293   5.729   2.774
   38    HA   TRP   5           HA       TRP   5   0.789   3.928   2.274
   39    HB2  TRP   5          2HB       TRP   5   2.247   5.814   2.143
   40    HB3  TRP   5          1HB       TRP   5   0.676   6.372   1.586
   41    HD1  TRP   5           HD       TRP   5  -0.781   7.807   3.579
   42    HE1  TRP   5          1HE       TRP   5   0.124   9.488   5.292
   43    HE3  TRP   5          3HE       TRP   5   4.144   6.472   3.469
   44    HZ2  TRP   5          2HZ       TRP   5   2.619  10.166   6.443
   45    HZ3  TRP   5          3HZ       TRP   5   5.724   7.685   4.903
   46    HH2  TRP   5           HH       TRP   5   4.973   9.492   6.354
   47    H    MET   6           H        MET   6  -0.310   5.272   5.236
   48    HA   MET   6           HA       MET   6   2.070   4.750   6.732
   49    HB2  MET   6          2HB       MET   6   0.640   6.609   7.302
   50    HB3  MET   6          1HB       MET   6  -0.713   5.527   7.579
   51    HG2  MET   6          2HG       MET   6   0.363   4.576   9.489
   52    HG3  MET   6          1HG       MET   6   1.827   5.496   9.150
   53    HE1  MET   6          1HE       MET   6   2.045   8.094   9.449
   54    HE2  MET   6          2HE       MET   6   0.730   9.153   9.943
   55    HE3  MET   6          3HE       MET   6   0.685   8.384   8.360
   56    H    TRP   7           H        TRP   7  -0.457   2.898   5.661
   57    HA   TRP   7           HA       TRP   7  -0.373   1.044   7.906
   58    HB2  TRP   7          2HB       TRP   7  -2.236   1.103   5.514
   59    HB3  TRP   7          1HB       TRP   7  -2.332  -0.046   6.838
   60    HD1  TRP   7           HD       TRP   7  -1.645   3.005   8.623
   61    HE1  TRP   7          1HE       TRP   7  -3.796   4.227   9.358
   62    HE3  TRP   7          3HE       TRP   7  -5.011   0.564   5.683
   63    HZ2  TRP   7          2HZ       TRP   7  -6.542   4.148   8.779
   64    HZ3  TRP   7          3HZ       TRP   7  -7.381   1.191   5.828
   65    HH2  TRP   7           HH       TRP   7  -8.128   2.944   7.352
   66    H    THR   8           H        THR   8  -0.838  -1.335   6.799
   67    HA   THR   8           HA       THR   8   1.274  -1.814   4.844
   68    HB   THR   8           HB       THR   8   1.694  -3.945   6.189
   69    HG1  THR   8          1HG       THR   8   0.010  -4.232   7.504
   70   HG21  THR   8          1HG2      THR   8   3.171  -1.952   6.481
   71   HG22  THR   8          2HG2      THR   8   2.984  -2.876   7.964
   72   HG23  THR   8          3HG2      THR   8   2.080  -1.379   7.736
   73    H    CYS   9           H        CYS   9   0.664  -3.963   3.496
   74    HA   CYS   9           HA       CYS   9  -2.210  -4.393   3.933
   75    HB2  CYS   9          2HB       CYS   9  -2.540  -4.692   1.566
   76    HB3  CYS   9          1HB       CYS   9  -1.881  -3.099   1.908
   77    H    ASP  10           H        ASP  10  -2.969  -6.391   2.787
   78    HA   ASP  10           HA       ASP  10  -1.069  -8.575   3.048
   79    HB2  ASP  10          2HB       ASP  10  -2.715  -9.933   4.285
   80    HB3  ASP  10          1HB       ASP  10  -2.359  -8.472   5.182
   81    H    SER  11           H        SER  11  -3.158 -10.544   2.444
   82    HA   SER  11           HA       SER  11  -3.182 -10.134  -0.373
   83    HB2  SER  11          2HB       SER  11  -4.367 -12.338  -0.369
   84    HB3  SER  11          1HB       SER  11  -2.824 -12.352   0.486
   85    HG   SER  11           HG       SER  11  -5.443 -12.472   1.483
   86    H    GLU  12           H        GLU  12  -5.539  -9.962   2.215
   87    HA   GLU  12           HA       GLU  12  -7.778  -9.838   0.403
   88    HB2  GLU  12          2HB       GLU  12  -7.752  -9.411   3.392
   89    HB3  GLU  12          1HB       GLU  12  -9.122  -9.847   2.386
   90    HG2  GLU  12          2HG       GLU  12  -6.752 -11.584   3.066
   91    HG3  GLU  12          1HG       GLU  12  -8.404 -11.774   3.641
   92    H    ARG  13           H        ARG  13  -6.076  -7.786   2.690
   93    HA   ARG  13           HA       ARG  13  -7.497  -5.432   1.669
   94    HB2  ARG  13          2HB       ARG  13  -5.678  -5.818   4.011
   95    HB3  ARG  13          1HB       ARG  13  -6.263  -4.247   3.498
   96    HG2  ARG  13          2HG       ARG  13  -7.962  -6.543   4.332
   97    HG3  ARG  13          1HG       ARG  13  -7.430  -5.223   5.399
   98    HD2  ARG  13          2HD       ARG  13  -9.651  -4.694   4.703
   99    HD3  ARG  13          1HD       ARG  13  -8.577  -3.650   3.787
  100    HE   ARG  13           HE       ARG  13  -9.228  -6.052   2.391
  101   HH11  ARG  13          1HH1      ARG  13 -10.499  -2.851   3.209
  102   HH12  ARG  13          2HH1      ARG  13 -11.505  -2.746   1.846
  103   HH21  ARG  13          1HH2      ARG  13 -10.639  -5.918   0.537
  104   HH22  ARG  13          2HH2      ARG  13 -11.579  -4.520   0.279
  105    H    LYS  14           H        LYS  14  -6.617  -4.424   0.105
  106    HA   LYS  14           HA       LYS  14  -3.706  -4.582  -0.304
  107    HB2  LYS  14          2HB       LYS  14  -5.920  -3.955  -2.246
  108    HB3  LYS  14          1HB       LYS  14  -4.205  -3.931  -2.637
  109    HG2  LYS  14          2HG       LYS  14  -4.033  -6.293  -2.235
  110    HG3  LYS  14          1HG       LYS  14  -5.703  -6.352  -1.666
  111    HD2  LYS  14          2HD       LYS  14  -6.486  -5.666  -3.871
  112    HD3  LYS  14          1HD       LYS  14  -4.821  -5.574  -4.442
  113    HE2  LYS  14          2HE       LYS  14  -5.949  -7.654  -5.117
  114    HE3  LYS  14          1HE       LYS  14  -4.533  -7.936  -4.111
  115    HZ1  LYS  14          1HZ       LYS  14  -5.971  -8.409  -2.234
  116    HZ2  LYS  14          2HZ       LYS  14  -6.503  -9.311  -3.530
  117    HZ3  LYS  14          3HZ       LYS  14  -7.332  -7.941  -3.096
  118    H    CYS  15           H        CYS  15  -2.604  -2.647  -1.010
  119    HA   CYS  15           HA       CYS  15  -3.498  -0.277   0.344
  120    HB2  CYS  15          2HB       CYS  15  -1.138  -0.627  -1.519
  121    HB3  CYS  15          1HB       CYS  15  -1.408   0.719  -0.421
  122    H    CYS  16           H        CYS  16  -3.669   1.787  -0.674
  123    HA   CYS  16           HA       CYS  16  -5.530   1.793  -2.772
  124    HB2  CYS  16          2HB       CYS  16  -3.924   4.066  -1.620
  125    HB3  CYS  16          1HB       CYS  16  -5.335   4.247  -2.659
  126    H    LYS  17           H        LYS  17  -5.386   3.113  -4.728
  127    HA   LYS  17           HA       LYS  17  -3.370   2.278  -6.496
  128    HB2  LYS  17          2HB       LYS  17  -5.623   2.792  -7.234
  129    HB3  LYS  17          1HB       LYS  17  -5.456   4.457  -6.711
  130    HG2  LYS  17          2HG       LYS  17  -3.727   4.815  -8.415
  131    HG3  LYS  17          1HG       LYS  17  -3.917   3.144  -8.946
  132    HD2  LYS  17          2HD       LYS  17  -6.139   5.180  -8.926
  133    HD3  LYS  17          1HD       LYS  17  -5.146   4.813 -10.335
  134    HE2  LYS  17          2HE       LYS  17  -5.913   2.508 -10.303
  135    HE3  LYS  17          1HE       LYS  17  -6.848   2.812  -8.843
  136    HZ1  LYS  17          1HZ       LYS  17  -8.148   2.839 -10.893
  137    HZ2  LYS  17          2HZ       LYS  17  -7.292   4.185 -11.425
  138    HZ3  LYS  17          3HZ       LYS  17  -8.258   4.284 -10.029
  139    H    GLY  18           H        GLY  18  -1.612   3.374  -7.341
  140    HA2  GLY  18          2HA       GLY  18  -0.101   5.132  -7.524
  141    HA3  GLY  18          1HA       GLY  18  -0.960   5.989  -6.241
  142    H    MET  19           H        MET  19  -0.876   2.993  -5.180
  143    HA   MET  19           HA       MET  19   1.761   3.143  -3.939
  144    HB2  MET  19          2HB       MET  19  -0.881   2.421  -2.640
  145    HB3  MET  19          1HB       MET  19   0.695   2.247  -1.879
  146    HG2  MET  19          2HG       MET  19   1.038   4.522  -1.819
  147    HG3  MET  19          1HG       MET  19  -0.345   4.885  -2.871
  148    HE1  MET  19          1HE       MET  19  -1.464   6.628  -1.380
  149    HE2  MET  19          2HE       MET  19   0.020   6.583  -0.435
  150    HE3  MET  19          3HE       MET  19  -1.545   6.509   0.377
  151    H    VAL  20           H        VAL  20   2.535   1.093  -3.359
  152    HA   VAL  20           HA       VAL  20   1.340  -1.034  -4.946
  153    HB   VAL  20           HB       VAL  20   3.621  -0.486  -5.684
  154   HG11  VAL  20          1HG1      VAL  20   4.518   0.470  -3.661
  155   HG12  VAL  20          2HG1      VAL  20   5.573  -0.805  -4.272
  156   HG13  VAL  20          3HG1      VAL  20   4.518  -1.120  -2.893
  157   HG21  VAL  20          1HG2      VAL  20   2.962  -2.809  -5.865
  158   HG22  VAL  20          2HG2      VAL  20   3.519  -3.119  -4.225
  159   HG23  VAL  20          3HG2      VAL  20   4.682  -2.699  -5.485
  160    H    CYS  21           H        CYS  21   0.655  -2.778  -3.980
  161    HA   CYS  21           HA       CYS  21   0.424  -2.785  -1.141
  162    HB2  CYS  21          2HB       CYS  21  -1.370  -3.588  -2.723
  163    HB3  CYS  21          1HB       CYS  21  -0.335  -4.954  -3.116
  164    H    ARG  22           H        ARG  22   2.065  -3.351   0.044
  165    HA   ARG  22           HA       ARG  22   3.620  -5.715  -0.625
  166    HB2  ARG  22          2HB       ARG  22   4.658  -2.959  -0.056
  167    HB3  ARG  22          1HB       ARG  22   5.654  -4.364   0.190
  168    HG2  ARG  22          2HG       ARG  22   4.491  -3.414  -2.388
  169    HG3  ARG  22          1HG       ARG  22   6.164  -3.348  -1.760
  170    HD2  ARG  22          2HD       ARG  22   4.681  -5.919  -2.307
  171    HD3  ARG  22          1HD       ARG  22   5.838  -5.185  -3.410
  172    HE   ARG  22           HE       ARG  22   7.021  -5.397  -0.893
  173   HH11  ARG  22          1HH1      ARG  22   5.967  -7.586  -3.485
  174   HH12  ARG  22          2HH1      ARG  22   7.197  -8.715  -3.195
  175   HH21  ARG  22          1HH2      ARG  22   8.631  -6.959  -0.466
  176   HH22  ARG  22          2HH2      ARG  22   8.746  -8.355  -1.428
  177    H    LEU  23           H        LEU  23   5.416  -5.397   1.348
  178    HA   LEU  23           HA       LEU  23   4.244  -6.491   3.625
  179    HB2  LEU  23          2HB       LEU  23   6.682  -6.557   3.126
  180    HB3  LEU  23          1HB       LEU  23   6.788  -4.849   3.493
  181    HG   LEU  23           HG       LEU  23   6.119  -5.351   5.832
  182   HD11  LEU  23          1HD1      LEU  23   4.924  -7.427   5.484
  183   HD12  LEU  23          2HD1      LEU  23   6.241  -7.663   6.631
  184   HD13  LEU  23          3HD1      LEU  23   6.412  -8.222   4.967
  185   HD21  LEU  23          1HD2      LEU  23   8.273  -6.305   6.502
  186   HD22  LEU  23          2HD2      LEU  23   8.467  -5.087   5.241
  187   HD23  LEU  23          3HD2      LEU  23   8.570  -6.800   4.836
  188    H    TRP  24           H        TRP  24   5.052  -3.181   2.800
  189    HA   TRP  24           HA       TRP  24   3.016  -2.366   4.641
  190    HB2  TRP  24          2HB       TRP  24   4.230  -0.328   5.223
  191    HB3  TRP  24          1HB       TRP  24   5.231  -1.718   5.607
  192    HD1  TRP  24           HD       TRP  24   4.967   1.241   3.298
  193    HE1  TRP  24          1HE       TRP  24   7.299   1.685   2.182
  194    HE3  TRP  24          3HE       TRP  24   7.391  -2.904   4.914
  195    HZ2  TRP  24          2HZ       TRP  24   9.805   0.393   2.055
  196    HZ3  TRP  24          3HZ       TRP  24   9.738  -3.248   4.276
  197    HH2  TRP  24           HH       TRP  24  10.918  -1.639   2.886
  198    H    CYS  25           H        CYS  25   2.104  -0.126   3.874
  199    HA   CYS  25           HA       CYS  25   1.747  -0.302   1.051
  200    HB2  CYS  25          2HB       CYS  25   0.706   1.639   3.111
  201    HB3  CYS  25          1HB       CYS  25   0.350   1.781   1.390
  202    H    LYS  26           H        LYS  26   2.999   0.496  -0.360
  203    HA   LYS  26           HA       LYS  26   4.836   2.609   0.482
  204    HB2  LYS  26          2HB       LYS  26   5.997   0.544   0.088
  205    HB3  LYS  26          1HB       LYS  26   5.199   0.345  -1.466
  206    HG2  LYS  26          2HG       LYS  26   6.291   2.421  -2.227
  207    HG3  LYS  26          1HG       LYS  26   7.181   2.459  -0.711
  208    HD2  LYS  26          2HD       LYS  26   8.168   0.293  -1.243
  209    HD3  LYS  26          1HD       LYS  26   7.252   0.248  -2.754
  210    HE2  LYS  26          2HE       LYS  26   9.341   2.263  -1.975
  211    HE3  LYS  26          1HE       LYS  26   9.520   0.983  -3.166
  212    HZ1  LYS  26          1HZ       LYS  26   7.777   2.075  -4.515
  213    HZ2  LYS  26          2HZ       LYS  26   9.081   3.085  -4.231
  214    HZ3  LYS  26          3HZ       LYS  26   7.659   3.315  -3.370
  215    H    LYS  27           H        LYS  27   4.644   4.467  -0.652
  216    HA   LYS  27           HA       LYS  27   2.827   4.689  -2.799
  217    HB2  LYS  27          2HB       LYS  27   5.087   6.535  -2.085
  218    HB3  LYS  27          1HB       LYS  27   3.767   6.931  -3.162
  219    HG2  LYS  27          2HG       LYS  27   2.153   6.696  -1.343
  220    HG3  LYS  27          1HG       LYS  27   3.446   6.276  -0.234
  221    HD2  LYS  27          2HD       LYS  27   2.913   8.546   0.200
  222    HD3  LYS  27          1HD       LYS  27   4.424   8.568  -0.692
  223    HE2  LYS  27          2HE       LYS  27   1.736   8.984  -2.014
  224    HE3  LYS  27          1HE       LYS  27   2.659  10.307  -1.324
  225    HZ1  LYS  27          1HZ       LYS  27   3.465   8.577  -3.619
  226    HZ2  LYS  27          2HZ       LYS  27   4.475   9.682  -2.862
  227    HZ3  LYS  27          3HZ       LYS  27   3.090  10.221  -3.645
  228    H    LYS  28           H        LYS  28   3.062   4.527  -4.839
  229    HA   LYS  28           HA       LYS  28   5.541   3.306  -5.780
  230    HB2  LYS  28          2HB       LYS  28   3.655   1.799  -5.845
  231    HB3  LYS  28          1HB       LYS  28   2.688   2.981  -6.704
  232    HG2  LYS  28          2HG       LYS  28   4.149   2.764  -8.656
  233    HG3  LYS  28          1HG       LYS  28   5.131   1.579  -7.792
  234    HD2  LYS  28          2HD       LYS  28   3.241   0.075  -7.629
  235    HD3  LYS  28          1HD       LYS  28   2.186   1.278  -8.368
  236    HE2  LYS  28          2HE       LYS  28   2.837  -0.443  -9.970
  237    HE3  LYS  28          1HE       LYS  28   3.459   1.136 -10.434
  238    HZ1  LYS  28          1HZ       LYS  28   5.029  -0.731 -10.685
  239    HZ2  LYS  28          2HZ       LYS  28   5.093  -0.896  -9.009
  240    HZ3  LYS  28          3HZ       LYS  28   5.621   0.532  -9.762
  241    H    LEU  29           H        LEU  29   6.630   5.061  -6.451
  242    HA   LEU  29           HA       LEU  29   5.417   6.859  -8.363
  243    HB2  LEU  29          2HB       LEU  29   8.315   6.544  -7.531
  244    HB3  LEU  29          1HB       LEU  29   7.679   7.837  -8.520
  245    HG   LEU  29           HG       LEU  29   7.030   7.363  -5.612
  246   HD11  LEU  29          1HD1      LEU  29   8.695   9.482  -6.957
  247   HD12  LEU  29          2HD1      LEU  29   9.294   8.164  -5.951
  248   HD13  LEU  29          3HD1      LEU  29   8.286   9.425  -5.242
  249   HD21  LEU  29          1HD2      LEU  29   5.888   9.533  -5.735
  250   HD22  LEU  29          2HD2      LEU  29   5.131   8.346  -6.791
  251   HD23  LEU  29          3HD2      LEU  29   6.183   9.589  -7.472
  252    H    TRP  30           H        TRP  30   7.849   4.348  -8.204
  253    HA   TRP  30           HA       TRP  30   7.382   3.820 -11.027
  254    HB2  TRP  30          2HB       TRP  30  10.019   3.622  -9.552
  255    HB3  TRP  30          1HB       TRP  30   9.739   3.096 -11.209
  256    HD1  TRP  30           HD       TRP  30   9.002   5.120 -12.956
  257    HE1  TRP  30          1HE       TRP  30   9.834   7.550 -13.045
  258    HE3  TRP  30          3HE       TRP  30  10.853   5.479  -8.234
  259    HZ2  TRP  30          2HZ       TRP  30  11.125   9.389 -11.306
  260    HZ3  TRP  30          3HZ       TRP  30  11.873   7.603  -7.514
  261    HH2  TRP  30           HH       TRP  30  12.004   9.503  -9.013
  Start of MODEL   14
    1    H1   TYR   1          1HT       TYR   1 -13.454   1.459  -0.195
    2    H2   TYR   1          2HT       TYR   1 -12.287   0.680  -1.163
    3    H3   TYR   1          3HT       TYR   1 -12.207   2.324  -0.929
    4    HA   TYR   1           HA       TYR   1 -11.715   2.089   1.318
    5    HB2  TYR   1          2HB       TYR   1 -11.209  -0.196   2.242
    6    HB3  TYR   1          1HB       TYR   1 -12.910   0.096   1.927
    7    HD1  TYR   1          1HD       TYR   1 -14.074  -1.144   0.207
    8    HD2  TYR   1          2HD       TYR   1  -9.915  -1.735   0.866
    9    HE1  TYR   1          1HE       TYR   1 -14.154  -3.126  -1.162
   10    HE2  TYR   1          2HE       TYR   1  -9.965  -3.730  -0.499
   11    HH   TYR   1           HH       TYR   1 -11.532  -5.373  -1.312
   12    H    CYS   2           H        CYS   2  -9.546   2.000   1.937
   13    HA   CYS   2           HA       CYS   2  -7.603   0.940   0.054
   14    HB2  CYS   2          2HB       CYS   2  -8.037   3.850   0.589
   15    HB3  CYS   2          1HB       CYS   2  -6.457   3.244   0.156
   16    H    GLN   3           H        GLN   3  -5.701   0.451   1.066
   17    HA   GLN   3           HA       GLN   3  -5.458   1.052   3.871
   18    HB2  GLN   3          2HB       GLN   3  -3.432  -0.212   1.994
   19    HB3  GLN   3          1HB       GLN   3  -3.288  -0.093   3.724
   20    HG2  GLN   3          2HG       GLN   3  -5.387  -1.682   2.288
   21    HG3  GLN   3          1HG       GLN   3  -3.905  -2.330   2.986
   22   HE21  GLN   3          1HE2      GLN   3  -3.677  -2.379   5.199
   23   HE22  GLN   3          2HE2      GLN   3  -5.039  -2.228   6.256
   24    H    LYS   4           H        LYS   4  -3.924   2.477   4.697
   25    HA   LYS   4           HA       LYS   4  -3.213   4.587   2.830
   26    HB2  LYS   4          2HB       LYS   4  -3.057   4.495   5.837
   27    HB3  LYS   4          1HB       LYS   4  -2.683   5.896   4.846
   28    HG2  LYS   4          2HG       LYS   4  -4.992   5.937   4.047
   29    HG3  LYS   4          1HG       LYS   4  -5.358   4.539   5.060
   30    HD2  LYS   4          2HD       LYS   4  -4.749   5.830   7.048
   31    HD3  LYS   4          1HD       LYS   4  -4.392   7.221   6.022
   32    HE2  LYS   4          2HE       LYS   4  -6.722   7.254   5.266
   33    HE3  LYS   4          1HE       LYS   4  -7.058   5.860   6.292
   34    HZ1  LYS   4          1HZ       LYS   4  -7.736   7.943   7.325
   35    HZ2  LYS   4          2HZ       LYS   4  -6.161   8.515   7.261
   36    HZ3  LYS   4          3HZ       LYS   4  -6.529   7.193   8.225
   37    H    TRP   5           H        TRP   5  -1.131   5.709   3.354
   38    HA   TRP   5           HA       TRP   5   1.097   4.102   2.746
   39    HB2  TRP   5          2HB       TRP   5   2.380   6.233   3.164
   40    HB3  TRP   5          1HB       TRP   5   1.005   6.444   2.081
   41    HD1  TRP   5           HD       TRP   5   2.342   7.488   5.487
   42    HE1  TRP   5          1HE       TRP   5   0.813   9.280   6.502
   43    HE3  TRP   5          3HE       TRP   5  -1.468   7.338   2.064
   44    HZ2  TRP   5          2HZ       TRP   5  -1.676  10.496   5.910
   45    HZ3  TRP   5          3HZ       TRP   5  -3.373   8.845   2.371
   46    HH2  TRP   5           HH       TRP   5  -3.473  10.387   4.248
   47    H    MET   6           H        MET   6  -0.290   5.152   5.684
   48    HA   MET   6           HA       MET   6   1.909   4.659   7.448
   49    HB2  MET   6          2HB       MET   6   0.170   6.268   7.972
   50    HB3  MET   6          1HB       MET   6  -1.051   5.008   7.915
   51    HG2  MET   6          2HG       MET   6   0.004   3.926   9.838
   52    HG3  MET   6          1HG       MET   6   1.191   5.224   9.890
   53    HE1  MET   6          1HE       MET   6   0.621   5.691  12.433
   54    HE2  MET   6          2HE       MET   6  -0.547   4.369  12.399
   55    HE3  MET   6          3HE       MET   6  -1.015   5.940  13.044
   56    H    TRP   7           H        TRP   7  -0.547   2.841   5.983
   57    HA   TRP   7           HA       TRP   7  -0.487   0.756   8.006
   58    HB2  TRP   7          2HB       TRP   7  -2.292   1.015   5.581
   59    HB3  TRP   7          1HB       TRP   7  -2.445  -0.180   6.857
   60    HD1  TRP   7           HD       TRP   7  -1.766   2.828   8.736
   61    HE1  TRP   7          1HE       TRP   7  -3.915   4.051   9.456
   62    HE3  TRP   7          3HE       TRP   7  -5.094   0.473   5.690
   63    HZ2  TRP   7          2HZ       TRP   7  -6.656   4.018   8.812
   64    HZ3  TRP   7          3HZ       TRP   7  -7.460   1.131   5.790
   65    HH2  TRP   7           HH       TRP   7  -8.218   2.863   7.326
   66    H    THR   8           H        THR   8  -0.900  -1.485   6.699
   67    HA   THR   8           HA       THR   8   1.241  -1.720   4.746
   68    HB   THR   8           HB       THR   8   1.746  -3.955   5.860
   69    HG1  THR   8          1HG       THR   8   0.278  -3.006   8.060
   70   HG21  THR   8          1HG2      THR   8   3.076  -1.915   6.530
   71   HG22  THR   8          2HG2      THR   8   2.860  -3.049   7.854
   72   HG23  THR   8          3HG2      THR   8   1.867  -1.602   7.766
   73    H    CYS   9           H        CYS   9   0.742  -4.102   3.463
   74    HA   CYS   9           HA       CYS   9  -2.174  -4.254   3.572
   75    HB2  CYS   9          2HB       CYS   9  -2.332  -4.686   1.223
   76    HB3  CYS   9          1HB       CYS   9  -1.391  -3.223   1.451
   77    H    ASP  10           H        ASP  10  -2.806  -6.346   2.218
   78    HA   ASP  10           HA       ASP  10  -1.394  -8.671   3.244
   79    HB2  ASP  10          2HB       ASP  10  -3.057  -7.958   5.005
   80    HB3  ASP  10          1HB       ASP  10  -4.291  -7.931   3.752
   81    H    SER  11           H        SER  11  -3.371 -10.469   2.380
   82    HA   SER  11           HA       SER  11  -3.279 -10.105  -0.451
   83    HB2  SER  11          2HB       SER  11  -4.505 -12.345  -0.380
   84    HB3  SER  11          1HB       SER  11  -2.894 -12.333   0.337
   85    HG   SER  11           HG       SER  11  -5.137 -13.067   1.444
   86    H    GLU  12           H        GLU  12  -5.589 -10.020   2.172
   87    HA   GLU  12           HA       GLU  12  -7.772  -9.392   0.386
   88    HB2  GLU  12          2HB       GLU  12  -7.651  -9.543   3.391
   89    HB3  GLU  12          1HB       GLU  12  -9.103  -9.217   2.454
   90    HG2  GLU  12          2HG       GLU  12  -7.459 -11.727   2.356
   91    HG3  GLU  12          1HG       GLU  12  -9.032 -11.524   3.134
   92    H    ARG  13           H        ARG  13  -6.042  -7.720   3.010
   93    HA   ARG  13           HA       ARG  13  -7.287  -5.186   2.381
   94    HB2  ARG  13          2HB       ARG  13  -4.853  -5.855   4.023
   95    HB3  ARG  13          1HB       ARG  13  -5.540  -4.246   3.898
   96    HG2  ARG  13          2HG       ARG  13  -7.002  -6.612   4.906
   97    HG3  ARG  13          1HG       ARG  13  -6.064  -5.563   5.993
   98    HD2  ARG  13          2HD       ARG  13  -8.236  -4.754   6.198
   99    HD3  ARG  13          1HD       ARG  13  -7.573  -3.720   4.940
  100    HE   ARG  13           HE       ARG  13  -8.777  -5.995   3.825
  101   HH11  ARG  13          1HH1      ARG  13  -9.584  -2.879   5.333
  102   HH12  ARG  13          2HH1      ARG  13 -11.138  -2.787   4.643
  103   HH21  ARG  13          1HH2      ARG  13 -10.964  -5.866   2.900
  104   HH22  ARG  13          2HH2      ARG  13 -11.929  -4.509   3.240
  105    H    LYS  14           H        LYS  14  -6.775  -4.273   0.560
  106    HA   LYS  14           HA       LYS  14  -4.013  -4.535  -0.396
  107    HB2  LYS  14          2HB       LYS  14  -4.804  -4.013  -2.658
  108    HB3  LYS  14          1HB       LYS  14  -5.547  -5.455  -1.992
  109    HG2  LYS  14          2HG       LYS  14  -7.583  -4.215  -1.538
  110    HG3  LYS  14          1HG       LYS  14  -6.832  -2.739  -2.158
  111    HD2  LYS  14          2HD       LYS  14  -6.505  -3.824  -4.316
  112    HD3  LYS  14          1HD       LYS  14  -7.295  -5.279  -3.708
  113    HE2  LYS  14          2HE       LYS  14  -9.350  -4.019  -3.366
  114    HE3  LYS  14          1HE       LYS  14  -8.543  -2.553  -3.929
  115    HZ1  LYS  14          1HZ       LYS  14  -8.185  -3.630  -6.052
  116    HZ2  LYS  14          2HZ       LYS  14  -9.824  -3.516  -5.697
  117    HZ3  LYS  14          3HZ       LYS  14  -9.034  -4.995  -5.539
  118    H    CYS  15           H        CYS  15  -2.866  -2.796  -1.218
  119    HA   CYS  15           HA       CYS  15  -3.335  -0.330   0.121
  120    HB2  CYS  15          2HB       CYS  15  -1.388  -0.941  -2.111
  121    HB3  CYS  15          1HB       CYS  15  -1.341   0.456  -1.041
  122    H    CYS  16           H        CYS  16  -3.443   1.777  -1.023
  123    HA   CYS  16           HA       CYS  16  -5.744   1.707  -2.701
  124    HB2  CYS  16          2HB       CYS  16  -4.931   3.467  -0.884
  125    HB3  CYS  16          1HB       CYS  16  -4.132   4.165  -2.265
  126    H    LYS  17           H        LYS  17  -5.728   3.312  -4.618
  127    HA   LYS  17           HA       LYS  17  -4.040   2.283  -6.632
  128    HB2  LYS  17          2HB       LYS  17  -6.352   3.096  -7.007
  129    HB3  LYS  17          1HB       LYS  17  -5.815   4.727  -6.653
  130    HG2  LYS  17          2HG       LYS  17  -4.385   4.720  -8.598
  131    HG3  LYS  17          1HG       LYS  17  -4.815   3.042  -8.933
  132    HD2  LYS  17          2HD       LYS  17  -7.166   3.721  -9.202
  133    HD3  LYS  17          1HD       LYS  17  -6.697   5.399  -8.922
  134    HE2  LYS  17          2HE       LYS  17  -5.647   3.656 -11.137
  135    HE3  LYS  17          1HE       LYS  17  -6.952   4.822 -11.315
  136    HZ1  LYS  17          1HZ       LYS  17  -5.443   6.585 -10.773
  137    HZ2  LYS  17          2HZ       LYS  17  -4.801   5.673 -12.043
  138    HZ3  LYS  17          3HZ       LYS  17  -4.177   5.503 -10.487
  139    H    GLY  18           H        GLY  18  -2.089   2.942  -7.226
  140    HA2  GLY  18          2HA       GLY  18  -0.405   4.522  -7.702
  141    HA3  GLY  18          1HA       GLY  18  -1.177   5.658  -6.600
  142    H    MET  19           H        MET  19  -1.141   2.606  -5.345
  143    HA   MET  19           HA       MET  19   1.362   3.059  -3.880
  144    HB2  MET  19          2HB       MET  19  -1.220   1.851  -2.887
  145    HB3  MET  19          1HB       MET  19   0.298   1.793  -2.011
  146    HG2  MET  19          2HG       MET  19   0.312   4.155  -1.787
  147    HG3  MET  19          1HG       MET  19  -1.156   4.317  -2.769
  148    HE1  MET  19          1HE       MET  19  -2.315   5.750  -0.871
  149    HE2  MET  19          2HE       MET  19  -0.842   5.648   0.094
  150    HE3  MET  19          3HE       MET  19  -2.401   5.257   0.819
  151    H    VAL  20           H        VAL  20   2.387   1.170  -3.191
  152    HA   VAL  20           HA       VAL  20   1.965  -1.124  -4.970
  153    HB   VAL  20           HB       VAL  20   4.372  -0.357  -3.276
  154   HG11  VAL  20          1HG1      VAL  20   4.104  -2.523  -5.357
  155   HG12  VAL  20          2HG1      VAL  20   4.217  -2.764  -3.617
  156   HG13  VAL  20          3HG1      VAL  20   5.584  -2.088  -4.502
  157   HG21  VAL  20          1HG2      VAL  20   5.483   0.202  -5.398
  158   HG22  VAL  20          2HG2      VAL  20   4.068   1.217  -5.109
  159   HG23  VAL  20          3HG2      VAL  20   3.976  -0.117  -6.258
  160    H    CYS  21           H        CYS  21   1.069  -2.879  -4.052
  161    HA   CYS  21           HA       CYS  21   0.615  -2.977  -1.223
  162    HB2  CYS  21          2HB       CYS  21  -1.034  -3.856  -2.941
  163    HB3  CYS  21          1HB       CYS  21   0.107  -5.149  -3.277
  164    H    ARG  22           H        ARG  22   2.174  -3.454   0.049
  165    HA   ARG  22           HA       ARG  22   4.042  -5.557  -0.637
  166    HB2  ARG  22          2HB       ARG  22   4.724  -3.238  -1.442
  167    HB3  ARG  22          1HB       ARG  22   4.855  -2.800   0.245
  168    HG2  ARG  22          2HG       ARG  22   6.672  -4.276   0.570
  169    HG3  ARG  22          1HG       ARG  22   6.400  -5.044  -1.003
  170    HD2  ARG  22          2HD       ARG  22   6.876  -2.936  -2.101
  171    HD3  ARG  22          1HD       ARG  22   7.159  -2.182  -0.531
  172    HE   ARG  22           HE       ARG  22   8.876  -4.286  -0.579
  173   HH11  ARG  22          1HH1      ARG  22   8.365  -1.632  -2.892
  174   HH12  ARG  22          2HH1      ARG  22  10.011  -1.527  -3.297
  175   HH21  ARG  22          1HH2      ARG  22  11.079  -4.146  -1.189
  176   HH22  ARG  22          2HH2      ARG  22  11.591  -2.985  -2.326
  177    H    LEU  23           H        LEU  23   5.661  -5.371   1.514
  178    HA   LEU  23           HA       LEU  23   4.316  -6.277   3.745
  179    HB2  LEU  23          2HB       LEU  23   7.057  -4.997   3.601
  180    HB3  LEU  23          1HB       LEU  23   6.439  -5.802   5.022
  181    HG   LEU  23           HG       LEU  23   7.935  -7.295   4.015
  182   HD11  LEU  23          1HD1      LEU  23   5.948  -8.386   4.781
  183   HD12  LEU  23          2HD1      LEU  23   6.616  -9.217   3.378
  184   HD13  LEU  23          3HD1      LEU  23   5.197  -8.188   3.198
  185   HD21  LEU  23          1HD2      LEU  23   8.123  -6.258   1.810
  186   HD22  LEU  23          2HD2      LEU  23   6.546  -6.914   1.358
  187   HD23  LEU  23          3HD2      LEU  23   7.893  -7.999   1.682
  188    H    TRP  24           H        TRP  24   4.754  -3.093   2.653
  189    HA   TRP  24           HA       TRP  24   3.015  -2.208   4.689
  190    HB2  TRP  24          2HB       TRP  24   4.271  -0.219   5.254
  191    HB3  TRP  24          1HB       TRP  24   5.365  -1.579   5.462
  192    HD1  TRP  24           HD       TRP  24   4.927   1.607   3.751
  193    HE1  TRP  24          1HE       TRP  24   6.996   2.135   2.198
  194    HE3  TRP  24          3HE       TRP  24   7.136  -2.938   3.854
  195    HZ2  TRP  24          2HZ       TRP  24   9.221   0.705   1.176
  196    HZ3  TRP  24          3HZ       TRP  24   9.207  -3.318   2.575
  197    HH2  TRP  24           HH       TRP  24  10.220  -1.531   1.268
  198    H    CYS  25           H        CYS  25   1.905  -0.130   3.809
  199    HA   CYS  25           HA       CYS  25   1.761  -0.430   0.954
  200    HB2  CYS  25          2HB       CYS  25   0.131   1.165   2.907
  201    HB3  CYS  25          1HB       CYS  25  -0.030   1.387   1.168
  202    H    LYS  26           H        LYS  26   2.970   0.576  -0.351
  203    HA   LYS  26           HA       LYS  26   4.139   3.054   0.613
  204    HB2  LYS  26          2HB       LYS  26   5.797   1.300   0.286
  205    HB3  LYS  26          1HB       LYS  26   5.281   1.109  -1.387
  206    HG2  LYS  26          2HG       LYS  26   6.033   3.298  -1.943
  207    HG3  LYS  26          1HG       LYS  26   6.360   3.664  -0.254
  208    HD2  LYS  26          2HD       LYS  26   8.088   1.900  -0.247
  209    HD3  LYS  26          1HD       LYS  26   7.778   1.623  -1.965
  210    HE2  LYS  26          2HE       LYS  26   8.435   3.888  -2.488
  211    HE3  LYS  26          1HE       LYS  26   8.627   4.252  -0.777
  212    HZ1  LYS  26          1HZ       LYS  26  10.426   2.646  -0.681
  213    HZ2  LYS  26          2HZ       LYS  26  10.749   3.805  -1.854
  214    HZ3  LYS  26          3HZ       LYS  26  10.212   2.273  -2.298
  215    H    LYS  27           H        LYS  27   3.381   4.779  -0.295
  216    HA   LYS  27           HA       LYS  27   2.080   4.622  -2.866
  217    HB2  LYS  27          2HB       LYS  27   1.707   7.089  -2.580
  218    HB3  LYS  27          1HB       LYS  27   1.020   6.119  -1.293
  219    HG2  LYS  27          2HG       LYS  27   2.884   6.695   0.150
  220    HG3  LYS  27          1HG       LYS  27   3.609   7.643  -1.153
  221    HD2  LYS  27          2HD       LYS  27   1.711   9.147  -1.149
  222    HD3  LYS  27          1HD       LYS  27   0.898   8.160   0.063
  223    HE2  LYS  27          2HE       LYS  27   1.919  10.144   1.077
  224    HE3  LYS  27          1HE       LYS  27   2.654   8.661   1.677
  225    HZ1  LYS  27          1HZ       LYS  27   3.835  10.464  -0.392
  226    HZ2  LYS  27          2HZ       LYS  27   4.501   9.027   0.132
  227    HZ3  LYS  27          3HZ       LYS  27   4.342  10.296   1.205
  228    H    LYS  28           H        LYS  28   2.718   5.851  -4.670
  229    HA   LYS  28           HA       LYS  28   5.335   5.371  -5.379
  230    HB2  LYS  28          2HB       LYS  28   4.945   6.524  -7.433
  231    HB3  LYS  28          1HB       LYS  28   3.488   5.657  -6.996
  232    HG2  LYS  28          2HG       LYS  28   3.894   8.608  -6.547
  233    HG3  LYS  28          1HG       LYS  28   3.145   7.948  -7.984
  234    HD2  LYS  28          2HD       LYS  28   1.415   6.916  -6.479
  235    HD3  LYS  28          1HD       LYS  28   2.149   7.809  -5.144
  236    HE2  LYS  28          2HE       LYS  28   1.028   9.037  -7.659
  237    HE3  LYS  28          1HE       LYS  28   0.197   8.974  -6.107
  238    HZ1  LYS  28          1HZ       LYS  28   1.220  11.101  -6.496
  239    HZ2  LYS  28          2HZ       LYS  28   2.759  10.434  -6.641
  240    HZ3  LYS  28          3HZ       LYS  28   1.921  10.359  -5.160
  241    H    LEU  29           H        LEU  29   7.103   6.662  -5.864
  242    HA   LEU  29           HA       LEU  29   7.586   8.798  -3.994
  243    HB2  LEU  29          2HB       LEU  29   9.326   7.574  -6.136
  244    HB3  LEU  29          1HB       LEU  29   9.867   8.740  -4.948
  245    HG   LEU  29           HG       LEU  29   8.836   5.978  -4.278
  246   HD11  LEU  29          1HD1      LEU  29  11.169   5.428  -3.824
  247   HD12  LEU  29          2HD1      LEU  29  11.663   7.018  -4.405
  248   HD13  LEU  29          3HD1      LEU  29  10.933   5.858  -5.516
  249   HD21  LEU  29          1HD2      LEU  29   8.533   7.619  -2.489
  250   HD22  LEU  29          2HD2      LEU  29  10.237   8.054  -2.596
  251   HD23  LEU  29          3HD2      LEU  29   9.774   6.436  -2.073
  252    H    TRP  30           H        TRP  30   6.206   8.641  -6.986
  253    HA   TRP  30           HA       TRP  30   6.739  11.460  -7.470
  254    HB2  TRP  30          2HB       TRP  30   8.202   9.853  -8.878
  255    HB3  TRP  30          1HB       TRP  30   6.708   9.434  -9.702
  256    HD1  TRP  30           HD       TRP  30   5.449  11.631 -10.929
  257    HE1  TRP  30          1HE       TRP  30   6.562  13.558 -12.203
  258    HE3  TRP  30          3HE       TRP  30  10.155  11.224  -9.021
  259    HZ2  TRP  30          2HZ       TRP  30   9.118  14.755 -12.370
  260    HZ3  TRP  30          3HZ       TRP  30  11.886  12.799  -9.787
  261    HH2  TRP  30           HH       TRP  30  11.371  14.529 -11.431
  Start of MODEL   15
    1    H1   TYR   1          1HT       TYR   1 -12.472   1.292   5.777
    2    H2   TYR   1          2HT       TYR   1 -11.048   0.361   5.864
    3    H3   TYR   1          3HT       TYR   1 -12.139   0.100   4.626
    4    HA   TYR   1           HA       TYR   1 -11.741   2.292   3.757
    5    HB2  TYR   1          2HB       TYR   1  -9.647   2.392   5.942
    6    HB3  TYR   1          1HB       TYR   1  -9.788   3.549   4.630
    7    HD1  TYR   1          1HD       TYR   1 -10.857   2.683   7.941
    8    HD2  TYR   1          2HD       TYR   1 -11.932   4.912   4.476
    9    HE1  TYR   1          1HE       TYR   1 -12.399   4.020   9.281
   10    HE2  TYR   1          2HE       TYR   1 -13.473   6.255   5.816
   11    HH   TYR   1           HH       TYR   1 -13.451   6.248   9.177
   12    H    CYS   2           H        CYS   2  -9.708   2.812   2.553
   13    HA   CYS   2           HA       CYS   2  -8.459   0.402   1.565
   14    HB2  CYS   2          2HB       CYS   2  -9.251   2.226   0.049
   15    HB3  CYS   2          1HB       CYS   2  -8.143   3.329   0.852
   16    H    GLN   3           H        GLN   3  -5.998   0.481   1.383
   17    HA   GLN   3           HA       GLN   3  -5.036   1.124   4.042
   18    HB2  GLN   3          2HB       GLN   3  -3.448  -0.161   1.815
   19    HB3  GLN   3          1HB       GLN   3  -3.030  -0.080   3.503
   20    HG2  GLN   3          2HG       GLN   3  -5.247  -1.692   2.279
   21    HG3  GLN   3          1HG       GLN   3  -3.759  -2.290   3.000
   22   HE21  GLN   3          1HE2      GLN   3  -3.526  -2.165   5.250
   23   HE22  GLN   3          2HE2      GLN   3  -4.905  -2.042   6.281
   24    H    LYS   4           H        LYS   4  -3.744   2.692   4.542
   25    HA   LYS   4           HA       LYS   4  -3.110   4.666   2.497
   26    HB2  LYS   4          2HB       LYS   4  -2.891   4.826   5.501
   27    HB3  LYS   4          1HB       LYS   4  -2.637   6.155   4.381
   28    HG2  LYS   4          2HG       LYS   4  -4.963   6.027   3.689
   29    HG3  LYS   4          1HG       LYS   4  -5.224   4.673   4.793
   30    HD2  LYS   4          2HD       LYS   4  -4.618   6.124   6.674
   31    HD3  LYS   4          1HD       LYS   4  -4.402   7.474   5.556
   32    HE2  LYS   4          2HE       LYS   4  -6.754   7.268   4.886
   33    HE3  LYS   4          1HE       LYS   4  -6.957   5.948   6.035
   34    HZ1  LYS   4          1HZ       LYS   4  -6.225   8.735   6.704
   35    HZ2  LYS   4          2HZ       LYS   4  -6.435   7.479   7.827
   36    HZ3  LYS   4          3HZ       LYS   4  -7.738   8.028   6.905
   37    H    TRP   5           H        TRP   5  -1.023   5.888   3.034
   38    HA   TRP   5           HA       TRP   5   1.258   4.303   2.556
   39    HB2  TRP   5          2HB       TRP   5   2.505   6.446   2.892
   40    HB3  TRP   5          1HB       TRP   5   1.124   6.622   1.809
   41    HD1  TRP   5           HD       TRP   5   2.504   7.840   5.129
   42    HE1  TRP   5          1HE       TRP   5   0.969   9.678   6.087
   43    HE3  TRP   5          3HE       TRP   5  -1.410   7.439   1.845
   44    HZ2  TRP   5          2HZ       TRP   5  -1.563  10.789   5.527
   45    HZ3  TRP   5          3HZ       TRP   5  -3.337   8.919   2.139
   46    HH2  TRP   5           HH       TRP   5  -3.412  10.552   3.931
   47    H    MET   6           H        MET   6  -0.241   5.367   5.408
   48    HA   MET   6           HA       MET   6   1.917   4.925   7.262
   49    HB2  MET   6          2HB       MET   6   0.294   6.571   7.793
   50    HB3  MET   6          1HB       MET   6  -1.041   5.472   7.513
   51    HG2  MET   6          2HG       MET   6  -0.263   4.158   9.486
   52    HG3  MET   6          1HG       MET   6   0.933   5.416   9.766
   53    HE1  MET   6          1HE       MET   6  -1.329   8.504  10.585
   54    HE2  MET   6          2HE       MET   6  -0.690   8.058   9.007
   55    HE3  MET   6          3HE       MET   6   0.324   7.906  10.444
   56    H    TRP   7           H        TRP   7  -0.401   3.050   5.693
   57    HA   TRP   7           HA       TRP   7  -0.661   1.060   7.816
   58    HB2  TRP   7          2HB       TRP   7  -2.228   1.446   5.249
   59    HB3  TRP   7          1HB       TRP   7  -2.537   0.177   6.421
   60    HD1  TRP   7           HD       TRP   7  -1.814   3.593   7.886
   61    HE1  TRP   7          1HE       TRP   7  -3.992   4.633   8.796
   62    HE3  TRP   7          3HE       TRP   7  -5.171   0.267   5.972
   63    HZ2  TRP   7          2HZ       TRP   7  -6.739   4.120   8.708
   64    HZ3  TRP   7          3HZ       TRP   7  -7.540   0.618   6.417
   65    HH2  TRP   7           HH       TRP   7  -8.316   2.508   7.768
   66    H    THR   8           H        THR   8  -1.079  -1.215   6.620
   67    HA   THR   8           HA       THR   8   1.135  -1.686   4.768
   68    HB   THR   8           HB       THR   8   1.521  -3.828   5.933
   69    HG1  THR   8          1HG       THR   8  -0.306  -4.433   6.893
   70   HG21  THR   8          1HG2      THR   8   1.493  -1.518   7.891
   71   HG22  THR   8          2HG2      THR   8   2.784  -1.857   6.746
   72   HG23  THR   8          3HG2      THR   8   2.446  -2.995   8.052
   73    H    CYS   9           H        CYS   9   0.639  -3.950   3.467
   74    HA   CYS   9           HA       CYS   9  -2.221  -4.360   3.615
   75    HB2  CYS   9          2HB       CYS   9  -2.371  -4.490   1.148
   76    HB3  CYS   9          1HB       CYS   9  -1.953  -2.887   1.741
   77    H    ASP  10           H        ASP  10  -2.647  -6.273   1.833
   78    HA   ASP  10           HA       ASP  10  -0.816  -8.441   2.140
   79    HB2  ASP  10          2HB       ASP  10  -1.996  -8.241   4.394
   80    HB3  ASP  10          1HB       ASP  10  -3.518  -8.477   3.550
   81    H    SER  11           H        SER  11  -2.770 -10.424   1.514
   82    HA   SER  11           HA       SER  11  -3.532  -9.600  -1.143
   83    HB2  SER  11          2HB       SER  11  -4.073 -12.178   0.342
   84    HB3  SER  11          1HB       SER  11  -4.204 -11.925  -1.402
   85    HG   SER  11           HG       SER  11  -1.801 -11.154  -0.770
   86    H    GLU  12           H        GLU  12  -4.891 -10.039   1.991
   87    HA   GLU  12           HA       GLU  12  -7.629  -9.824   1.112
   88    HB2  GLU  12          2HB       GLU  12  -6.461  -9.667   3.898
   89    HB3  GLU  12          1HB       GLU  12  -8.171  -9.790   3.505
   90    HG2  GLU  12          2HG       GLU  12  -7.786 -11.972   2.498
   91    HG3  GLU  12          1HG       GLU  12  -6.074 -11.855   2.902
   92    H    ARG  13           H        ARG  13  -5.493  -7.813   3.129
   93    HA   ARG  13           HA       ARG  13  -7.152  -5.488   2.919
   94    HB2  ARG  13          2HB       ARG  13  -4.315  -5.899   3.816
   95    HB3  ARG  13          1HB       ARG  13  -5.068  -4.311   3.801
   96    HG2  ARG  13          2HG       ARG  13  -6.134  -6.660   5.313
   97    HG3  ARG  13          1HG       ARG  13  -4.981  -5.512   6.013
   98    HD2  ARG  13          2HD       ARG  13  -7.143  -4.822   6.734
   99    HD3  ARG  13          1HD       ARG  13  -6.682  -3.715   5.450
  100    HE   ARG  13           HE       ARG  13  -8.184  -5.943   4.513
  101   HH11  ARG  13          1HH1      ARG  13  -8.498  -2.722   5.981
  102   HH12  ARG  13          2HH1      ARG  13 -10.101  -2.502   5.459
  103   HH21  ARG  13          1HH2      ARG  13 -10.398  -5.619   3.832
  104   HH22  ARG  13          2HH2      ARG  13 -11.184  -4.149   4.198
  105    H    LYS  14           H        LYS  14  -7.381  -4.428   1.141
  106    HA   LYS  14           HA       LYS  14  -5.317  -4.600  -0.889
  107    HB2  LYS  14          2HB       LYS  14  -6.890  -3.571  -2.488
  108    HB3  LYS  14          1HB       LYS  14  -7.510  -5.051  -1.797
  109    HG2  LYS  14          2HG       LYS  14  -8.336  -2.333  -0.803
  110    HG3  LYS  14          1HG       LYS  14  -9.120  -3.115  -2.171
  111    HD2  LYS  14          2HD       LYS  14  -9.685  -5.026  -0.705
  112    HD3  LYS  14          1HD       LYS  14  -8.978  -4.164   0.661
  113    HE2  LYS  14          2HE       LYS  14 -10.572  -2.352   0.360
  114    HE3  LYS  14          1HE       LYS  14 -11.268  -3.180  -1.030
  115    HZ1  LYS  14          1HZ       LYS  14 -11.892  -5.008   0.466
  116    HZ2  LYS  14          2HZ       LYS  14 -12.598  -3.547   0.922
  117    HZ3  LYS  14          3HZ       LYS  14 -11.285  -4.143   1.778
  118    H    CYS  15           H        CYS  15  -4.102  -3.036  -1.592
  119    HA   CYS  15           HA       CYS  15  -4.090  -0.640   0.050
  120    HB2  CYS  15          2HB       CYS  15  -2.037  -2.155  -0.360
  121    HB3  CYS  15          1HB       CYS  15  -2.009  -1.468  -1.975
  122    H    CYS  16           H        CYS  16  -3.739   1.457  -1.062
  123    HA   CYS  16           HA       CYS  16  -5.708   1.720  -3.091
  124    HB2  CYS  16          2HB       CYS  16  -3.814   3.729  -1.891
  125    HB3  CYS  16          1HB       CYS  16  -5.097   4.132  -3.021
  126    H    LYS  17           H        LYS  17  -5.489   2.468  -5.197
  127    HA   LYS  17           HA       LYS  17  -3.122   1.672  -6.544
  128    HB2  LYS  17          2HB       LYS  17  -5.520   3.246  -7.519
  129    HB3  LYS  17          1HB       LYS  17  -4.228   2.666  -8.562
  130    HG2  LYS  17          2HG       LYS  17  -4.781   0.355  -7.947
  131    HG3  LYS  17          1HG       LYS  17  -6.089   0.954  -6.926
  132    HD2  LYS  17          2HD       LYS  17  -7.183   1.920  -8.885
  133    HD3  LYS  17          1HD       LYS  17  -5.854   1.357  -9.903
  134    HE2  LYS  17          2HE       LYS  17  -6.384  -0.957  -9.308
  135    HE3  LYS  17          1HE       LYS  17  -7.702  -0.391  -8.288
  136    HZ1  LYS  17          1HZ       LYS  17  -8.792   0.500 -10.286
  137    HZ2  LYS  17          2HZ       LYS  17  -8.487  -1.154 -10.410
  138    HZ3  LYS  17          3HZ       LYS  17  -7.511  -0.074 -11.232
  139    H    GLY  18           H        GLY  18  -1.464   2.898  -7.171
  140    HA2  GLY  18          2HA       GLY  18  -0.374   5.016  -7.485
  141    HA3  GLY  18          1HA       GLY  18  -1.507   5.708  -6.318
  142    H    MET  19           H        MET  19  -0.860   2.738  -5.223
  143    HA   MET  19           HA       MET  19   1.592   3.422  -3.786
  144    HB2  MET  19          2HB       MET  19  -0.871   2.043  -2.679
  145    HB3  MET  19          1HB       MET  19   0.653   2.222  -1.830
  146    HG2  MET  19          2HG       MET  19   0.383   4.564  -1.711
  147    HG3  MET  19          1HG       MET  19  -1.084   4.518  -2.709
  148    HE1  MET  19          1HE       MET  19  -2.513   5.534   0.733
  149    HE2  MET  19          2HE       MET  19  -2.483   5.850  -1.000
  150    HE3  MET  19          3HE       MET  19  -1.021   6.073  -0.038
  151    H    VAL  20           H        VAL  20   2.713   1.484  -3.126
  152    HA   VAL  20           HA       VAL  20   2.096  -0.746  -4.923
  153    HB   VAL  20           HB       VAL  20   4.716  -0.071  -3.519
  154   HG11  VAL  20          1HG1      VAL  20   4.444  -2.480  -3.841
  155   HG12  VAL  20          2HG1      VAL  20   5.693  -1.842  -4.914
  156   HG13  VAL  20          3HG1      VAL  20   4.094  -2.220  -5.550
  157   HG21  VAL  20          1HG2      VAL  20   5.565   0.470  -5.749
  158   HG22  VAL  20          2HG2      VAL  20   4.197   1.502  -5.324
  159   HG23  VAL  20          3HG2      VAL  20   3.973   0.154  -6.436
  160    H    CYS  21           H        CYS  21   1.395  -2.534  -4.033
  161    HA   CYS  21           HA       CYS  21   1.002  -2.596  -1.190
  162    HB2  CYS  21          2HB       CYS  21  -0.745  -3.354  -2.855
  163    HB3  CYS  21          1HB       CYS  21   0.294  -4.728  -3.223
  164    H    ARG  22           H        ARG  22   2.018  -3.919   0.231
  165    HA   ARG  22           HA       ARG  22   3.865  -5.946  -0.477
  166    HB2  ARG  22          2HB       ARG  22   4.893  -3.649  -1.108
  167    HB3  ARG  22          1HB       ARG  22   4.992  -3.380   0.616
  168    HG2  ARG  22          2HG       ARG  22   6.563  -5.115   0.891
  169    HG3  ARG  22          1HG       ARG  22   6.272  -5.733  -0.743
  170    HD2  ARG  22          2HD       ARG  22   7.076  -3.630  -1.657
  171    HD3  ARG  22          1HD       ARG  22   7.403  -3.055  -0.021
  172    HE   ARG  22           HE       ARG  22   8.736  -5.454  -0.338
  173   HH11  ARG  22          1HH1      ARG  22   8.862  -2.227  -1.786
  174   HH12  ARG  22          2HH1      ARG  22  10.516  -2.331  -2.170
  175   HH21  ARG  22          1HH2      ARG  22  11.022  -5.552  -0.850
  176   HH22  ARG  22          2HH2      ARG  22  11.760  -4.221  -1.596
  177    H    LEU  23           H        LEU  23   5.343  -5.937   1.859
  178    HA   LEU  23           HA       LEU  23   3.642  -6.655   3.924
  179    HB2  LEU  23          2HB       LEU  23   6.496  -5.666   4.120
  180    HB3  LEU  23          1HB       LEU  23   5.608  -6.302   5.482
  181    HG   LEU  23           HG       LEU  23   5.421  -8.466   4.148
  182   HD11  LEU  23          1HD1      LEU  23   7.576  -7.158   2.532
  183   HD12  LEU  23          2HD1      LEU  23   5.977  -7.648   1.965
  184   HD13  LEU  23          3HD1      LEU  23   7.146  -8.866   2.476
  185   HD21  LEU  23          1HD2      LEU  23   8.142  -7.539   5.044
  186   HD22  LEU  23          2HD2      LEU  23   7.649  -9.214   4.809
  187   HD23  LEU  23          3HD2      LEU  23   6.885  -8.240   6.062
  188    H    TRP  24           H        TRP  24   4.653  -3.543   2.907
  189    HA   TRP  24           HA       TRP  24   2.876  -2.402   4.848
  190    HB2  TRP  24          2HB       TRP  24   4.356  -0.617   5.407
  191    HB3  TRP  24          1HB       TRP  24   5.335  -2.067   5.535
  192    HD1  TRP  24           HD       TRP  24   5.108   1.214   3.878
  193    HE1  TRP  24          1HE       TRP  24   7.127   1.602   2.296
  194    HE3  TRP  24          3HE       TRP  24   7.005  -3.500   3.825
  195    HZ2  TRP  24          2HZ       TRP  24   9.212   0.101   1.183
  196    HZ3  TRP  24          3HZ       TRP  24   9.021  -3.948   2.476
  197    HH2  TRP  24           HH       TRP  24  10.094  -2.181   1.187
  198    H    CYS  25           H        CYS  25   2.091  -0.182   3.901
  199    HA   CYS  25           HA       CYS  25   2.040  -0.427   1.009
  200    HB2  CYS  25          2HB       CYS  25   0.341   1.058   2.972
  201    HB3  CYS  25          1HB       CYS  25   0.401   1.590   1.296
  202    H    LYS  26           H        LYS  26   3.001   0.916  -0.326
  203    HA   LYS  26           HA       LYS  26   4.236   3.266   0.863
  204    HB2  LYS  26          2HB       LYS  26   5.940   1.532   0.657
  205    HB3  LYS  26          1HB       LYS  26   5.565   1.358  -1.055
  206    HG2  LYS  26          2HG       LYS  26   6.311   3.563  -1.512
  207    HG3  LYS  26          1HG       LYS  26   6.488   3.903   0.199
  208    HD2  LYS  26          2HD       LYS  26   8.238   2.162   0.323
  209    HD3  LYS  26          1HD       LYS  26   8.069   1.906  -1.415
  210    HE2  LYS  26          2HE       LYS  26   8.726   4.189  -1.851
  211    HE3  LYS  26          1HE       LYS  26   8.796   4.516  -0.123
  212    HZ1  LYS  26          1HZ       LYS  26  10.569   2.941   0.089
  213    HZ2  LYS  26          2HZ       LYS  26  10.982   4.103  -1.062
  214    HZ3  LYS  26          3HZ       LYS  26  10.504   2.559  -1.547
  215    H    LYS  27           H        LYS  27   3.731   5.028  -0.191
  216    HA   LYS  27           HA       LYS  27   2.107   4.811  -2.521
  217    HB2  LYS  27          2HB       LYS  27   1.845   7.212  -2.377
  218    HB3  LYS  27          1HB       LYS  27   1.599   6.461  -0.818
  219    HG2  LYS  27          2HG       LYS  27   4.051   7.101  -0.344
  220    HG3  LYS  27          1HG       LYS  27   3.900   8.144  -1.754
  221    HD2  LYS  27          2HD       LYS  27   2.195   8.256   0.741
  222    HD3  LYS  27          1HD       LYS  27   3.459   9.392   0.293
  223    HE2  LYS  27          2HE       LYS  27   0.895   8.911  -1.233
  224    HE3  LYS  27          1HE       LYS  27   1.200  10.264  -0.153
  225    HZ1  LYS  27          1HZ       LYS  27   2.573   9.699  -2.730
  226    HZ2  LYS  27          2HZ       LYS  27   3.019  10.941  -1.674
  227    HZ3  LYS  27          3HZ       LYS  27   1.498  10.936  -2.381
  228    H    LYS  28           H        LYS  28   2.443   5.502  -4.533
  229    HA   LYS  28           HA       LYS  28   5.205   5.306  -5.434
  230    HB2  LYS  28          2HB       LYS  28   3.168   4.107  -6.496
  231    HB3  LYS  28          1HB       LYS  28   2.705   5.683  -7.102
  232    HG2  LYS  28          2HG       LYS  28   3.809   4.617  -8.887
  233    HG3  LYS  28          1HG       LYS  28   4.987   5.758  -8.235
  234    HD2  LYS  28          2HD       LYS  28   6.054   3.958  -6.980
  235    HD3  LYS  28          1HD       LYS  28   4.852   2.817  -7.569
  236    HE2  LYS  28          2HE       LYS  28   6.837   2.514  -8.868
  237    HE3  LYS  28          1HE       LYS  28   5.640   3.294  -9.892
  238    HZ1  LYS  28          1HZ       LYS  28   6.817   5.428  -9.563
  239    HZ2  LYS  28          2HZ       LYS  28   7.837   4.244 -10.144
  240    HZ3  LYS  28          3HZ       LYS  28   7.896   4.645  -8.518
  241    H    LEU  29           H        LEU  29   6.303   7.142  -5.623
  242    HA   LEU  29           HA       LEU  29   5.068   9.687  -5.298
  243    HB2  LEU  29          2HB       LEU  29   7.855   9.062  -6.277
  244    HB3  LEU  29          1HB       LEU  29   7.301  10.590  -5.624
  245    HG   LEU  29           HG       LEU  29   7.580   8.003  -4.095
  246   HD11  LEU  29          1HD1      LEU  29   9.712   9.015  -4.604
  247   HD12  LEU  29          2HD1      LEU  29   9.344   9.162  -2.885
  248   HD13  LEU  29          3HD1      LEU  29   9.158  10.556  -3.949
  249   HD21  LEU  29          1HD2      LEU  29   7.049   9.356  -2.109
  250   HD22  LEU  29          2HD2      LEU  29   5.703   9.270  -3.239
  251   HD23  LEU  29          3HD2      LEU  29   6.690  10.729  -3.158
  252    H    TRP  30           H        TRP  30   6.595   8.033  -7.973
  253    HA   TRP  30           HA       TRP  30   4.847   9.315  -9.847
  254    HB2  TRP  30          2HB       TRP  30   6.854  10.840  -9.677
  255    HB3  TRP  30          1HB       TRP  30   7.859   9.486 -10.160
  256    HD1  TRP  30           HD       TRP  30   5.307  11.953 -11.537
  257    HE1  TRP  30          1HE       TRP  30   5.474  11.968 -14.112
  258    HE3  TRP  30          3HE       TRP  30   8.520   8.043 -12.175
  259    HZ2  TRP  30          2HZ       TRP  30   6.777  10.513 -16.135
  260    HZ3  TRP  30          3HZ       TRP  30   9.183   7.416 -14.463
  261    HH2  TRP  30           HH       TRP  30   8.322   8.631 -16.400
  Start of MODEL   16
    1    H1   TYR   1          1HT       TYR   1 -12.892   3.067   3.873
    2    H2   TYR   1          2HT       TYR   1 -11.256   2.594   3.976
    3    H3   TYR   1          3HT       TYR   1 -12.317   1.773   2.974
    4    HA   TYR   1           HA       TYR   1 -12.608   3.556   1.539
    5    HB2  TYR   1          2HB       TYR   1 -10.577   5.043   3.242
    6    HB3  TYR   1          1HB       TYR   1 -11.355   5.631   1.785
    7    HD1  TYR   1          1HD       TYR   1 -11.755   5.003   5.370
    8    HD2  TYR   1          2HD       TYR   1 -13.678   6.418   1.841
    9    HE1  TYR   1          1HE       TYR   1 -13.501   5.988   6.731
   10    HE2  TYR   1          2HE       TYR   1 -15.442   7.420   3.218
   11    HH   TYR   1           HH       TYR   1 -16.413   7.034   5.506
   12    H    CYS   2           H        CYS   2  -9.303   3.576   2.972
   13    HA   CYS   2           HA       CYS   2  -8.370   1.866   0.873
   14    HB2  CYS   2          2HB       CYS   2  -7.652   4.772   1.022
   15    HB3  CYS   2          1HB       CYS   2  -6.540   3.599   0.327
   16    H    GLN   3           H        GLN   3  -6.435   0.926   1.370
   17    HA   GLN   3           HA       GLN   3  -5.431   1.310   4.038
   18    HB2  GLN   3          2HB       GLN   3  -4.382  -0.431   1.783
   19    HB3  GLN   3          1HB       GLN   3  -3.814  -0.478   3.441
   20    HG2  GLN   3          2HG       GLN   3  -6.587  -1.201   2.505
   21    HG3  GLN   3          1HG       GLN   3  -5.297  -2.332   2.901
   22   HE21  GLN   3          1HE2      GLN   3  -4.382  -0.857   5.196
   23   HE22  GLN   3          2HE2      GLN   3  -5.581  -1.003   6.420
   24    H    LYS   4           H        LYS   4  -4.214   2.982   4.376
   25    HA   LYS   4           HA       LYS   4  -2.957   4.474   2.263
   26    HB2  LYS   4          2HB       LYS   4  -2.847   4.877   5.243
   27    HB3  LYS   4          1HB       LYS   4  -2.406   6.045   4.011
   28    HG2  LYS   4          2HG       LYS   4  -4.716   6.205   3.296
   29    HG3  LYS   4          1HG       LYS   4  -5.178   4.957   4.460
   30    HD2  LYS   4          2HD       LYS   4  -4.365   6.392   6.284
   31    HD3  LYS   4          1HD       LYS   4  -3.980   7.642   5.103
   32    HE2  LYS   4          2HE       LYS   4  -6.346   7.772   4.484
   33    HE3  LYS   4          1HE       LYS   4  -6.722   6.516   5.663
   34    HZ1  LYS   4          1HZ       LYS   4  -7.177   8.678   6.579
   35    HZ2  LYS   4          2HZ       LYS   4  -5.619   9.210   6.265
   36    HZ3  LYS   4          3HZ       LYS   4  -5.881   7.995   7.405
   37    H    TRP   5           H        TRP   5  -0.754   5.206   2.470
   38    HA   TRP   5           HA       TRP   5   1.275   3.322   2.551
   39    HB2  TRP   5          2HB       TRP   5   2.791   5.345   2.649
   40    HB3  TRP   5          1HB       TRP   5   1.554   5.435   1.396
   41    HD1  TRP   5           HD       TRP   5   2.596   7.067   4.698
   42    HE1  TRP   5          1HE       TRP   5   1.171   9.194   5.066
   43    HE3  TRP   5          3HE       TRP   5  -0.677   6.565   0.801
   44    HZ2  TRP   5          2HZ       TRP   5  -1.001  10.468   3.871
   45    HZ3  TRP   5          3HZ       TRP   5  -2.391   8.285   0.481
   46    HH2  TRP   5           HH       TRP   5  -2.547  10.199   1.980
   47    H    MET   6           H        MET   6  -0.141   5.166   5.024
   48    HA   MET   6           HA       MET   6   1.767   5.022   7.092
   49    HB2  MET   6          2HB       MET   6  -0.058   6.614   7.102
   50    HB3  MET   6          1HB       MET   6  -1.236   5.317   7.121
   51    HG2  MET   6          2HG       MET   6  -0.456   4.651   9.337
   52    HG3  MET   6          1HG       MET   6   0.704   5.976   9.312
   53    HE1  MET   6          1HE       MET   6  -1.441   5.485  11.631
   54    HE2  MET   6          2HE       MET   6  -2.006   7.129  11.929
   55    HE3  MET   6          3HE       MET   6  -0.291   6.821  11.656
   56    H    TRP   7           H        TRP   7  -0.517   2.762   5.839
   57    HA   TRP   7           HA       TRP   7  -0.213   1.025   8.178
   58    HB2  TRP   7          2HB       TRP   7  -2.379   1.012   6.066
   59    HB3  TRP   7          1HB       TRP   7  -2.345  -0.036   7.471
   60    HD1  TRP   7           HD       TRP   7  -1.508   2.405   9.535
   61    HE1  TRP   7          1HE       TRP   7  -3.342   4.084  10.204
   62    HE3  TRP   7          3HE       TRP   7  -4.765   1.533   5.774
   63    HZ2  TRP   7          2HZ       TRP   7  -5.860   4.912   9.247
   64    HZ3  TRP   7          3HZ       TRP   7  -6.889   2.799   5.698
   65    HH2  TRP   7           HH       TRP   7  -7.416   4.447   7.412
   66    H    THR   8           H        THR   8  -0.961  -1.392   7.024
   67    HA   THR   8           HA       THR   8   1.133  -1.790   5.053
   68    HB   THR   8           HB       THR   8   1.538  -4.006   6.225
   69    HG1  THR   8          1HG       THR   8   0.157  -4.552   7.675
   70   HG21  THR   8          1HG2      THR   8   3.005  -2.066   6.728
   71   HG22  THR   8          2HG2      THR   8   2.756  -3.060   8.156
   72   HG23  THR   8          3HG2      THR   8   1.865  -1.554   7.964
   73    H    CYS   9           H        CYS   9   0.625  -3.972   3.627
   74    HA   CYS   9           HA       CYS   9  -2.242  -4.467   3.882
   75    HB2  CYS   9          2HB       CYS   9  -2.499  -4.525   1.502
   76    HB3  CYS   9          1HB       CYS   9  -1.734  -3.000   1.927
   77    H    ASP  10           H        ASP  10  -2.725  -6.478   2.362
   78    HA   ASP  10           HA       ASP  10  -0.641  -8.496   2.501
   79    HB2  ASP  10          2HB       ASP  10  -2.105  -8.388   4.685
   80    HB3  ASP  10          1HB       ASP  10  -3.373  -9.037   3.647
   81    H    SER  11           H        SER  11  -2.535 -10.627   1.713
   82    HA   SER  11           HA       SER  11  -3.111  -9.557  -0.900
   83    HB2  SER  11          2HB       SER  11  -3.882 -11.852  -1.459
   84    HB3  SER  11          1HB       SER  11  -2.257 -11.841  -0.798
   85    HG   SER  11           HG       SER  11  -4.265 -13.232  -0.031
   86    H    GLU  12           H        GLU  12  -4.696  -9.957   2.008
   87    HA   GLU  12           HA       GLU  12  -7.377  -9.901   0.957
   88    HB2  GLU  12          2HB       GLU  12  -6.346  -9.613   3.778
   89    HB3  GLU  12          1HB       GLU  12  -8.047  -9.726   3.342
   90    HG2  GLU  12          2HG       GLU  12  -7.659 -11.940   2.399
   91    HG3  GLU  12          1HG       GLU  12  -5.956 -11.819   2.821
   92    H    ARG  13           H        ARG  13  -5.659  -7.652   3.155
   93    HA   ARG  13           HA       ARG  13  -7.277  -5.455   2.165
   94    HB2  ARG  13          2HB       ARG  13  -4.975  -5.533   4.132
   95    HB3  ARG  13          1HB       ARG  13  -5.846  -4.076   3.698
   96    HG2  ARG  13          2HG       ARG  13  -7.891  -5.025   4.613
   97    HG3  ARG  13          1HG       ARG  13  -6.988  -6.494   5.025
   98    HD2  ARG  13          2HD       ARG  13  -6.339  -3.733   6.071
   99    HD3  ARG  13          1HD       ARG  13  -7.284  -4.929   6.955
  100    HE   ARG  13           HE       ARG  13  -5.108  -6.312   6.449
  101   HH11  ARG  13          1HH1      ARG  13  -5.359  -2.979   7.701
  102   HH12  ARG  13          2HH1      ARG  13  -3.923  -3.085   8.590
  103   HH21  ARG  13          1HH2      ARG  13  -3.179  -6.433   7.748
  104   HH22  ARG  13          2HH2      ARG  13  -2.666  -5.093   8.653
  105    H    LYS  14           H        LYS  14  -6.713  -4.474   0.313
  106    HA   LYS  14           HA       LYS  14  -3.890  -4.602  -0.527
  107    HB2  LYS  14          2HB       LYS  14  -6.343  -3.941  -2.166
  108    HB3  LYS  14          1HB       LYS  14  -4.709  -4.113  -2.782
  109    HG2  LYS  14          2HG       LYS  14  -4.745  -6.494  -2.146
  110    HG3  LYS  14          1HG       LYS  14  -6.403  -6.298  -1.585
  111    HD2  LYS  14          2HD       LYS  14  -5.424  -5.888  -4.422
  112    HD3  LYS  14          1HD       LYS  14  -6.336  -7.275  -3.832
  113    HE2  LYS  14          2HE       LYS  14  -8.213  -5.734  -3.274
  114    HE3  LYS  14          1HE       LYS  14  -7.298  -4.413  -3.989
  115    HZ1  LYS  14          1HZ       LYS  14  -7.338  -5.606  -6.121
  116    HZ2  LYS  14          2HZ       LYS  14  -8.898  -5.311  -5.549
  117    HZ3  LYS  14          3HZ       LYS  14  -8.243  -6.844  -5.402
  118    H    CYS  15           H        CYS  15  -2.861  -2.659  -1.194
  119    HA   CYS  15           HA       CYS  15  -3.879  -0.218  -0.011
  120    HB2  CYS  15          2HB       CYS  15  -1.540  -0.469  -1.915
  121    HB3  CYS  15          1HB       CYS  15  -1.802   0.757  -0.684
  122    H    CYS  16           H        CYS  16  -4.599   1.615  -1.195
  123    HA   CYS  16           HA       CYS  16  -5.820   0.956  -3.685
  124    HB2  CYS  16          2HB       CYS  16  -5.702   3.547  -2.144
  125    HB3  CYS  16          1HB       CYS  16  -6.442   3.445  -3.738
  126    H    LYS  17           H        LYS  17  -5.613   2.307  -5.633
  127    HA   LYS  17           HA       LYS  17  -3.149   1.991  -6.796
  128    HB2  LYS  17          2HB       LYS  17  -5.250   2.163  -8.035
  129    HB3  LYS  17          1HB       LYS  17  -5.379   3.859  -7.604
  130    HG2  LYS  17          2HG       LYS  17  -3.377   4.356  -8.891
  131    HG3  LYS  17          1HG       LYS  17  -3.203   2.645  -9.288
  132    HD2  LYS  17          2HD       LYS  17  -5.306   2.668 -10.467
  133    HD3  LYS  17          1HD       LYS  17  -5.580   4.351 -10.018
  134    HE2  LYS  17          2HE       LYS  17  -3.346   3.288 -11.741
  135    HE3  LYS  17          1HE       LYS  17  -4.761   4.171 -12.314
  136    HZ1  LYS  17          1HZ       LYS  17  -3.992   6.104 -11.017
  137    HZ2  LYS  17          2HZ       LYS  17  -2.836   5.627 -12.144
  138    HZ3  LYS  17          3HZ       LYS  17  -2.631   5.234 -10.533
  139    H    GLY  18           H        GLY  18  -1.402   3.184  -7.073
  140    HA2  GLY  18          2HA       GLY  18  -0.258   5.321  -7.132
  141    HA3  GLY  18          1HA       GLY  18  -1.329   5.869  -5.837
  142    H    MET  19           H        MET  19  -1.150   3.092  -4.792
  143    HA   MET  19           HA       MET  19   1.513   3.145  -3.603
  144    HB2  MET  19          2HB       MET  19  -1.174   2.580  -2.348
  145    HB3  MET  19          1HB       MET  19   0.336   2.084  -1.602
  146    HG2  MET  19          2HG       MET  19   1.039   4.294  -1.302
  147    HG3  MET  19          1HG       MET  19  -0.247   4.943  -2.328
  148    HE1  MET  19          1HE       MET  19  -3.407   4.466  -0.085
  149    HE2  MET  19          2HE       MET  19  -2.826   3.366  -1.329
  150    HE3  MET  19          3HE       MET  19  -2.767   5.109  -1.597
  151    H    VAL  20           H        VAL  20   2.379   1.086  -3.245
  152    HA   VAL  20           HA       VAL  20   1.080  -0.955  -4.870
  153    HB   VAL  20           HB       VAL  20   3.284  -0.244  -5.748
  154   HG11  VAL  20          1HG1      VAL  20   5.369  -0.717  -4.557
  155   HG12  VAL  20          2HG1      VAL  20   4.438  -1.170  -3.131
  156   HG13  VAL  20          3HG1      VAL  20   4.378   0.487  -3.732
  157   HG21  VAL  20          1HG2      VAL  20   4.355  -2.454  -5.924
  158   HG22  VAL  20          2HG2      VAL  20   2.606  -2.536  -6.148
  159   HG23  VAL  20          3HG2      VAL  20   3.325  -3.038  -4.617
  160    H    CYS  21           H        CYS  21   0.579  -2.825  -3.965
  161    HA   CYS  21           HA       CYS  21   0.467  -2.914  -1.140
  162    HB2  CYS  21          2HB       CYS  21  -1.257  -3.858  -2.770
  163    HB3  CYS  21          1HB       CYS  21  -0.142  -5.194  -3.028
  164    H    ARG  22           H        ARG  22   1.911  -3.642   0.175
  165    HA   ARG  22           HA       ARG  22   3.821  -5.673  -0.547
  166    HB2  ARG  22          2HB       ARG  22   4.747  -3.460  -1.350
  167    HB3  ARG  22          1HB       ARG  22   4.622  -2.851   0.286
  168    HG2  ARG  22          2HG       ARG  22   6.898  -3.380  -0.269
  169    HG3  ARG  22          1HG       ARG  22   6.340  -4.476   0.986
  170    HD2  ARG  22          2HD       ARG  22   5.951  -6.199  -0.719
  171    HD3  ARG  22          1HD       ARG  22   6.520  -5.084  -1.964
  172    HE   ARG  22           HE       ARG  22   8.403  -5.406   0.133
  173   HH11  ARG  22          1HH1      ARG  22   7.208  -6.980  -2.798
  174   HH12  ARG  22          2HH1      ARG  22   8.680  -7.771  -3.125
  175   HH21  ARG  22          1HH2      ARG  22  10.381  -6.488  -0.312
  176   HH22  ARG  22          2HH2      ARG  22  10.536  -7.486  -1.686
  177    H    LEU  23           H        LEU  23   5.343  -5.717   1.633
  178    HA   LEU  23           HA       LEU  23   3.970  -6.546   3.833
  179    HB2  LEU  23          2HB       LEU  23   6.640  -5.139   3.869
  180    HB3  LEU  23          1HB       LEU  23   6.022  -6.198   5.122
  181    HG   LEU  23           HG       LEU  23   6.814  -6.981   2.322
  182   HD11  LEU  23          1HD1      LEU  23   8.553  -8.271   3.442
  183   HD12  LEU  23          2HD1      LEU  23   8.024  -7.625   4.997
  184   HD13  LEU  23          3HD1      LEU  23   8.696  -6.545   3.781
  185   HD21  LEU  23          1HD2      LEU  23   6.375  -9.293   3.069
  186   HD22  LEU  23          2HD2      LEU  23   4.914  -8.312   3.001
  187   HD23  LEU  23          3HD2      LEU  23   5.669  -8.655   4.555
  188    H    TRP  24           H        TRP  24   4.728  -3.295   2.894
  189    HA   TRP  24           HA       TRP  24   2.833  -2.383   4.819
  190    HB2  TRP  24          2HB       TRP  24   4.130  -0.441   5.422
  191    HB3  TRP  24          1HB       TRP  24   5.196  -1.821   5.629
  192    HD1  TRP  24           HD       TRP  24   4.861   1.421   3.950
  193    HE1  TRP  24          1HE       TRP  24   6.931   1.905   2.433
  194    HE3  TRP  24          3HE       TRP  24   6.963  -3.184   4.023
  195    HZ2  TRP  24          2HZ       TRP  24   9.150   0.458   1.427
  196    HZ3  TRP  24          3HZ       TRP  24   9.040  -3.583   2.765
  197    HH2  TRP  24           HH       TRP  24  10.105  -1.791   1.494
  198    H    CYS  25           H        CYS  25   1.811  -0.271   3.873
  199    HA   CYS  25           HA       CYS  25   1.701  -0.552   1.031
  200    HB2  CYS  25          2HB       CYS  25   0.390   1.394   2.927
  201    HB3  CYS  25          1HB       CYS  25   0.233   1.544   1.180
  202    H    LYS  26           H        LYS  26   3.098   0.214  -0.279
  203    HA   LYS  26           HA       LYS  26   4.724   2.499   0.568
  204    HB2  LYS  26          2HB       LYS  26   6.018   0.446   0.286
  205    HB3  LYS  26          1HB       LYS  26   5.364   0.231  -1.332
  206    HG2  LYS  26          2HG       LYS  26   6.452   2.219  -2.083
  207    HG3  LYS  26          1HG       LYS  26   7.020   2.565  -0.461
  208    HD2  LYS  26          2HD       LYS  26   8.339   0.449  -0.548
  209    HD3  LYS  26          1HD       LYS  26   7.779   0.211  -2.204
  210    HE2  LYS  26          2HE       LYS  26   9.976   1.193  -2.309
  211    HE3  LYS  26          1HE       LYS  26   8.802   2.405  -2.795
  212    HZ1  LYS  26          1HZ       LYS  26  10.111   2.209  -0.139
  213    HZ2  LYS  26          2HZ       LYS  26   8.947   3.363  -0.574
  214    HZ3  LYS  26          3HZ       LYS  26  10.430   3.336  -1.350
  215    H    LYS  27           H        LYS  27   5.019   4.153  -0.924
  216    HA   LYS  27           HA       LYS  27   2.948   4.602  -2.795
  217    HB2  LYS  27          2HB       LYS  27   5.646   5.923  -2.592
  218    HB3  LYS  27          1HB       LYS  27   4.258   6.556  -3.447
  219    HG2  LYS  27          2HG       LYS  27   3.039   6.895  -1.453
  220    HG3  LYS  27          1HG       LYS  27   4.219   6.020  -0.488
  221    HD2  LYS  27          2HD       LYS  27   5.897   7.770  -1.072
  222    HD3  LYS  27          1HD       LYS  27   4.616   8.665  -1.890
  223    HE2  LYS  27          2HE       LYS  27   3.379   8.836   0.198
  224    HE3  LYS  27          1HE       LYS  27   4.609   7.883   1.023
  225    HZ1  LYS  27          1HZ       LYS  27   6.212   9.654   0.573
  226    HZ2  LYS  27          2HZ       LYS  27   4.881  10.243   1.427
  227    HZ3  LYS  27          3HZ       LYS  27   5.029  10.545  -0.222
  228    H    LYS  28           H        LYS  28   2.938   4.364  -4.973
  229    HA   LYS  28           HA       LYS  28   4.923   2.539  -6.042
  230    HB2  LYS  28          2HB       LYS  28   2.488   2.119  -6.471
  231    HB3  LYS  28          1HB       LYS  28   2.424   3.612  -7.394
  232    HG2  LYS  28          2HG       LYS  28   4.011   2.686  -9.019
  233    HG3  LYS  28          1HG       LYS  28   4.101   1.197  -8.077
  234    HD2  LYS  28          2HD       LYS  28   1.687   0.860  -8.422
  235    HD3  LYS  28          1HD       LYS  28   1.644   2.309  -9.425
  236    HE2  LYS  28          2HE       LYS  28   3.266  -0.179  -9.991
  237    HE3  LYS  28          1HE       LYS  28   1.740   0.237 -10.760
  238    HZ1  LYS  28          1HZ       LYS  28   4.306   1.754 -11.002
  239    HZ2  LYS  28          2HZ       LYS  28   2.834   2.232 -11.665
  240    HZ3  LYS  28          3HZ       LYS  28   3.559   0.811 -12.175
  241    H    LEU  29           H        LEU  29   6.667   3.800  -6.178
  242    HA   LEU  29           HA       LEU  29   6.660   6.328  -7.515
  243    HB2  LEU  29          2HB       LEU  29   9.001   4.556  -6.792
  244    HB3  LEU  29          1HB       LEU  29   9.062   6.263  -7.165
  245    HG   LEU  29           HG       LEU  29   7.792   5.036  -4.714
  246   HD11  LEU  29          1HD1      LEU  29  10.311   6.652  -5.030
  247   HD12  LEU  29          2HD1      LEU  29  10.209   4.930  -4.658
  248   HD13  LEU  29          3HD1      LEU  29   9.608   6.120  -3.502
  249   HD21  LEU  29          1HD2      LEU  29   6.603   7.044  -5.383
  250   HD22  LEU  29          2HD2      LEU  29   8.125   7.928  -5.501
  251   HD23  LEU  29          3HD2      LEU  29   7.557   7.355  -3.931
  252    H    TRP  30           H        TRP  30   7.767   3.070  -8.149
  253    HA   TRP  30           HA       TRP  30   7.942   3.702 -10.999
  254    HB2  TRP  30          2HB       TRP  30   9.307   1.475  -9.466
  255    HB3  TRP  30          1HB       TRP  30   9.515   1.835 -11.180
  256    HD1  TRP  30           HD       TRP  30  10.940   4.074 -11.758
  257    HE1  TRP  30          1HE       TRP  30  12.760   5.301 -10.382
  258    HE3  TRP  30          3HE       TRP  30  10.006   2.054  -7.172
  259    HZ2  TRP  30          2HZ       TRP  30  13.654   5.396  -7.722
  260    HZ3  TRP  30          3HZ       TRP  30  11.375   2.763  -5.269
  261    HH2  TRP  30           HH       TRP  30  13.162   4.397  -5.539
  Start of MODEL   17
    1    H1   TYR   1          1HT       TYR   1 -11.620  -1.521   1.202
    2    H2   TYR   1          2HT       TYR   1 -12.327  -0.127   0.597
    3    H3   TYR   1          3HT       TYR   1 -13.080  -0.935   1.869
    4    HA   TYR   1           HA       TYR   1 -11.983   1.043   2.559
    5    HB2  TYR   1          2HB       TYR   1 -10.336   0.034   4.240
    6    HB3  TYR   1          1HB       TYR   1 -11.984  -0.563   4.309
    7    HD1  TYR   1          1HD       TYR   1 -12.506  -2.819   3.638
    8    HD2  TYR   1          2HD       TYR   1  -8.509  -1.384   3.484
    9    HE1  TYR   1          1HE       TYR   1 -11.728  -5.083   3.406
   10    HE2  TYR   1          2HE       TYR   1  -7.696  -3.659   3.244
   11    HH   TYR   1           HH       TYR   1  -9.702  -6.249   2.463
   12    H    CYS   2           H        CYS   2 -10.045   2.297   2.777
   13    HA   CYS   2           HA       CYS   2  -8.192   1.649   0.622
   14    HB2  CYS   2          2HB       CYS   2  -9.588   3.797   0.472
   15    HB3  CYS   2          1HB       CYS   2  -8.611   4.362   1.831
   16    H    GLN   3           H        GLN   3  -6.030   2.053   0.997
   17    HA   GLN   3           HA       GLN   3  -5.322   1.990   3.826
   18    HB2  GLN   3          2HB       GLN   3  -3.913   0.609   1.538
   19    HB3  GLN   3          1HB       GLN   3  -3.318   0.664   3.185
   20    HG2  GLN   3          2HG       GLN   3  -5.887  -0.635   2.295
   21    HG3  GLN   3          1HG       GLN   3  -4.381  -1.473   2.646
   22   HE21  GLN   3          1HE2      GLN   3  -3.724  -1.694   4.811
   23   HE22  GLN   3          2HE2      GLN   3  -4.830  -1.406   6.103
   24    H    LYS   4           H        LYS   4  -3.780   3.327   4.501
   25    HA   LYS   4           HA       LYS   4  -2.746   5.299   2.626
   26    HB2  LYS   4          2HB       LYS   4  -2.716   5.192   5.646
   27    HB3  LYS   4          1HB       LYS   4  -2.097   6.534   4.693
   28    HG2  LYS   4          2HG       LYS   4  -4.347   6.920   3.805
   29    HG3  LYS   4          1HG       LYS   4  -4.950   5.573   4.771
   30    HD2  LYS   4          2HD       LYS   4  -4.253   6.752   6.811
   31    HD3  LYS   4          1HD       LYS   4  -3.706   8.112   5.828
   32    HE2  LYS   4          2HE       LYS   4  -5.985   8.396   4.969
   33    HE3  LYS   4          1HE       LYS   4  -6.516   7.042   5.958
   34    HZ1  LYS   4          1HZ       LYS   4  -5.933   8.315   7.936
   35    HZ2  LYS   4          2HZ       LYS   4  -7.041   9.147   6.984
   36    HZ3  LYS   4          3HZ       LYS   4  -5.424   9.608   6.981
   37    H    TRP   5           H        TRP   5  -0.375   5.947   3.039
   38    HA   TRP   5           HA       TRP   5   1.253   3.622   2.658
   39    HB2  TRP   5          2HB       TRP   5   3.100   5.088   2.312
   40    HB3  TRP   5          1HB       TRP   5   1.705   5.971   1.713
   41    HD1  TRP   5           HD       TRP   5   0.768   7.974   3.410
   42    HE1  TRP   5          1HE       TRP   5   2.081   9.485   5.024
   43    HE3  TRP   5          3HE       TRP   5   5.058   5.233   3.778
   44    HZ2  TRP   5          2HZ       TRP   5   4.600   9.512   6.289
   45    HZ3  TRP   5          3HZ       TRP   5   6.877   6.074   5.209
   46    HH2  TRP   5           HH       TRP   5   6.643   8.171   6.435
   47    H    MET   6           H        MET   6   0.285   5.341   5.331
   48    HA   MET   6           HA       MET   6   2.408   4.626   7.103
   49    HB2  MET   6          2HB       MET   6   0.979   5.586   8.865
   50    HB3  MET   6          1HB       MET   6   1.167   6.673   7.494
   51    HG2  MET   6          2HG       MET   6  -1.029   5.994   6.670
   52    HG3  MET   6          1HG       MET   6  -1.217   4.920   8.051
   53    HE1  MET   6          1HE       MET   6  -1.080   9.533   8.324
   54    HE2  MET   6          2HE       MET   6  -0.936   8.631   6.815
   55    HE3  MET   6          3HE       MET   6   0.359   8.569   8.010
   56    H    TRP   7           H        TRP   7  -0.113   2.921   5.738
   57    HA   TRP   7           HA       TRP   7  -0.275   1.094   8.011
   58    HB2  TRP   7          2HB       TRP   7  -2.318   1.481   5.796
   59    HB3  TRP   7          1HB       TRP   7  -2.440   0.310   7.099
   60    HD1  TRP   7           HD       TRP   7  -1.412   2.721   9.282
   61    HE1  TRP   7          1HE       TRP   7  -3.234   4.363  10.073
   62    HE3  TRP   7          3HE       TRP   7  -4.864   1.878   5.653
   63    HZ2  TRP   7          2HZ       TRP   7  -5.824   5.169   9.257
   64    HZ3  TRP   7          3HZ       TRP   7  -6.995   3.112   5.714
   65    HH2  TRP   7           HH       TRP   7  -7.462   4.721   7.493
   66    H    THR   8           H        THR   8  -1.146  -1.167   6.799
   67    HA   THR   8           HA       THR   8   0.956  -1.689   4.867
   68    HB   THR   8           HB       THR   8   1.142  -3.947   6.055
   69    HG1  THR   8          1HG       THR   8   0.195  -2.949   8.403
   70   HG21  THR   8          1HG2      THR   8   2.773  -2.101   6.456
   71   HG22  THR   8          2HG2      THR   8   2.494  -3.056   7.911
   72   HG23  THR   8          3HG2      THR   8   1.719  -1.484   7.718
   73    H    CYS   9           H        CYS   9   0.408  -3.911   3.482
   74    HA   CYS   9           HA       CYS   9  -2.430  -4.364   3.724
   75    HB2  CYS   9          2HB       CYS   9  -2.693  -4.456   1.275
   76    HB3  CYS   9          1HB       CYS   9  -2.215  -2.859   1.829
   77    H    ASP  10           H        ASP  10  -2.864  -6.382   2.030
   78    HA   ASP  10           HA       ASP  10  -0.872  -8.443   2.571
   79    HB2  ASP  10          2HB       ASP  10  -3.682  -8.554   3.723
   80    HB3  ASP  10          1HB       ASP  10  -2.547  -9.888   3.714
   81    H    SER  11           H        SER  11  -2.262 -10.636   1.922
   82    HA   SER  11           HA       SER  11  -3.043 -10.261  -0.788
   83    HB2  SER  11          2HB       SER  11  -3.596 -12.644   0.992
   84    HB3  SER  11          1HB       SER  11  -3.426 -12.642  -0.765
   85    HG   SER  11           HG       SER  11  -1.552 -12.683   1.218
   86    H    GLU  12           H        GLU  12  -4.588 -10.300   2.272
   87    HA   GLU  12           HA       GLU  12  -7.299 -10.494   1.263
   88    HB2  GLU  12          2HB       GLU  12  -6.273  -9.873   4.032
   89    HB3  GLU  12          1HB       GLU  12  -7.942 -10.216   3.609
   90    HG2  GLU  12          2HG       GLU  12  -5.631 -12.113   3.336
   91    HG3  GLU  12          1HG       GLU  12  -6.846 -12.139   4.610
   92    H    ARG  13           H        ARG  13  -5.298  -8.070   2.920
   93    HA   ARG  13           HA       ARG  13  -7.300  -6.041   2.419
   94    HB2  ARG  13          2HB       ARG  13  -4.628  -5.876   3.814
   95    HB3  ARG  13          1HB       ARG  13  -5.772  -4.553   3.685
   96    HG2  ARG  13          2HG       ARG  13  -7.412  -5.903   4.942
   97    HG3  ARG  13          1HG       ARG  13  -6.178  -7.155   5.146
   98    HD2  ARG  13          2HD       ARG  13  -6.010  -4.305   6.090
   99    HD3  ARG  13          1HD       ARG  13  -6.315  -5.709   7.116
  100    HE   ARG  13           HE       ARG  13  -3.971  -6.371   6.021
  101   HH11  ARG  13          1HH1      ARG  13  -4.976  -3.305   7.475
  102   HH12  ARG  13          2HH1      ARG  13  -3.389  -2.918   7.988
  103   HH21  ARG  13          1HH2      ARG  13  -1.967  -5.877   6.639
  104   HH22  ARG  13          2HH2      ARG  13  -1.541  -4.415   7.445
  105    H    LYS  14           H        LYS  14  -7.324  -5.142   0.504
  106    HA   LYS  14           HA       LYS  14  -4.992  -5.051  -1.180
  107    HB2  LYS  14          2HB       LYS  14  -6.469  -3.909  -2.779
  108    HB3  LYS  14          1HB       LYS  14  -7.204  -5.392  -2.183
  109    HG2  LYS  14          2HG       LYS  14  -8.647  -4.148  -0.704
  110    HG3  LYS  14          1HG       LYS  14  -7.823  -2.651  -1.105
  111    HD2  LYS  14          2HD       LYS  14  -9.392  -4.342  -3.046
  112    HD3  LYS  14          1HD       LYS  14 -10.006  -2.901  -2.240
  113    HE2  LYS  14          2HE       LYS  14  -8.077  -1.639  -3.291
  114    HE3  LYS  14          1HE       LYS  14  -7.761  -3.084  -4.249
  115    HZ1  LYS  14          1HZ       LYS  14  -9.110  -1.657  -5.547
  116    HZ2  LYS  14          2HZ       LYS  14 -10.162  -1.379  -4.276
  117    HZ3  LYS  14          3HZ       LYS  14 -10.153  -2.883  -5.014
  118    H    CYS  15           H        CYS  15  -3.845  -3.223  -1.720
  119    HA   CYS  15           HA       CYS  15  -4.230  -0.941   0.037
  120    HB2  CYS  15          2HB       CYS  15  -1.930  -2.038  -0.267
  121    HB3  CYS  15          1HB       CYS  15  -1.960  -1.386  -1.901
  122    H    CYS  16           H        CYS  16  -3.891   1.239  -1.142
  123    HA   CYS  16           HA       CYS  16  -5.728   1.153  -3.380
  124    HB2  CYS  16          2HB       CYS  16  -4.751   3.428  -1.666
  125    HB3  CYS  16          1HB       CYS  16  -5.872   3.619  -3.016
  126    H    LYS  17           H        LYS  17  -5.379   2.165  -5.344
  127    HA   LYS  17           HA       LYS  17  -2.818   1.919  -6.416
  128    HB2  LYS  17          2HB       LYS  17  -3.698   3.139  -8.405
  129    HB3  LYS  17          1HB       LYS  17  -4.676   1.765  -7.905
  130    HG2  LYS  17          2HG       LYS  17  -6.296   3.256  -6.913
  131    HG3  LYS  17          1HG       LYS  17  -5.278   4.641  -7.291
  132    HD2  LYS  17          2HD       LYS  17  -7.149   4.420  -8.883
  133    HD3  LYS  17          1HD       LYS  17  -5.592   4.261  -9.679
  134    HE2  LYS  17          2HE       LYS  17  -7.103   1.816  -8.798
  135    HE3  LYS  17          1HE       LYS  17  -7.541   2.631 -10.294
  136    HZ1  LYS  17          1HZ       LYS  17  -4.838   1.498  -9.674
  137    HZ2  LYS  17          2HZ       LYS  17  -5.308   2.217 -11.124
  138    HZ3  LYS  17          3HZ       LYS  17  -6.007   0.789 -10.632
  139    H    GLY  18           H        GLY  18  -1.246   3.314  -6.951
  140    HA2  GLY  18          2HA       GLY  18  -0.311   5.540  -6.955
  141    HA3  GLY  18          1HA       GLY  18  -1.354   5.916  -5.579
  142    H    MET  19           H        MET  19  -0.854   3.061  -4.778
  143    HA   MET  19           HA       MET  19   1.803   3.364  -3.607
  144    HB2  MET  19          2HB       MET  19  -0.700   2.204  -2.388
  145    HB3  MET  19          1HB       MET  19   0.904   2.112  -1.671
  146    HG2  MET  19          2HG       MET  19   1.016   4.422  -1.431
  147    HG3  MET  19          1HG       MET  19  -0.484   4.676  -2.339
  148    HE1  MET  19          1HE       MET  19  -1.484   6.152  -0.642
  149    HE2  MET  19          2HE       MET  19   0.023   6.103   0.276
  150    HE3  MET  19          3HE       MET  19  -1.521   5.834   1.090
  151    H    VAL  20           H        VAL  20   2.720   1.352  -3.076
  152    HA   VAL  20           HA       VAL  20   1.934  -0.763  -4.926
  153    HB   VAL  20           HB       VAL  20   4.582  -0.301  -3.507
  154   HG11  VAL  20          1HG1      VAL  20   4.160  -2.658  -4.002
  155   HG12  VAL  20          2HG1      VAL  20   5.453  -2.023  -5.021
  156   HG13  VAL  20          3HG1      VAL  20   3.832  -2.248  -5.683
  157   HG21  VAL  20          1HG2      VAL  20   3.805   0.205  -6.380
  158   HG22  VAL  20          2HG2      VAL  20   5.431   0.372  -5.722
  159   HG23  VAL  20          3HG2      VAL  20   4.140   1.433  -5.164
  160    H    CYS  21           H        CYS  21   0.977  -2.405  -4.031
  161    HA   CYS  21           HA       CYS  21   0.611  -2.516  -1.204
  162    HB2  CYS  21          2HB       CYS  21  -1.198  -3.041  -2.852
  163    HB3  CYS  21          1HB       CYS  21  -0.302  -4.485  -3.295
  164    H    ARG  22           H        ARG  22   2.236  -3.235  -0.040
  165    HA   ARG  22           HA       ARG  22   3.340  -5.881  -0.644
  166    HB2  ARG  22          2HB       ARG  22   4.906  -3.461   0.318
  167    HB3  ARG  22          1HB       ARG  22   5.509  -5.092   0.176
  168    HG2  ARG  22          2HG       ARG  22   4.614  -3.465  -2.136
  169    HG3  ARG  22          1HG       ARG  22   6.248  -3.563  -1.428
  170    HD2  ARG  22          2HD       ARG  22   6.091  -5.052  -3.381
  171    HD3  ARG  22          1HD       ARG  22   6.344  -5.959  -1.900
  172    HE   ARG  22           HE       ARG  22   3.598  -5.664  -2.735
  173   HH11  ARG  22          1HH1      ARG  22   6.466  -7.724  -2.788
  174   HH12  ARG  22          2HH1      ARG  22   5.651  -9.111  -3.301
  175   HH21  ARG  22          1HH2      ARG  22   2.438  -7.537  -3.430
  176   HH22  ARG  22          2HH2      ARG  22   3.249  -9.011  -3.675
  177    H    LEU  23           H        LEU  23   5.084  -5.561   1.591
  178    HA   LEU  23           HA       LEU  23   3.516  -6.504   3.739
  179    HB2  LEU  23          2HB       LEU  23   6.287  -5.304   3.808
  180    HB3  LEU  23          1HB       LEU  23   5.538  -6.188   5.118
  181    HG   LEU  23           HG       LEU  23   6.232  -7.343   2.425
  182   HD11  LEU  23          1HD1      LEU  23   8.214  -6.807   3.712
  183   HD12  LEU  23          2HD1      LEU  23   7.971  -8.554   3.647
  184   HD13  LEU  23          3HD1      LEU  23   7.556  -7.659   5.107
  185   HD21  LEU  23          1HD2      LEU  23   5.187  -8.651   4.937
  186   HD22  LEU  23          2HD2      LEU  23   5.738  -9.503   3.495
  187   HD23  LEU  23          3HD2      LEU  23   4.314  -8.469   3.414
  188    H    TRP  24           H        TRP  24   4.547  -3.355   2.746
  189    HA   TRP  24           HA       TRP  24   2.562  -2.376   4.518
  190    HB2  TRP  24          2HB       TRP  24   3.830  -0.407   5.197
  191    HB3  TRP  24          1HB       TRP  24   4.774  -1.831   5.586
  192    HD1  TRP  24           HD       TRP  24   4.739   1.253   3.475
  193    HE1  TRP  24          1HE       TRP  24   7.071   1.606   2.400
  194    HE3  TRP  24          3HE       TRP  24   6.842  -3.195   4.736
  195    HZ2  TRP  24          2HZ       TRP  24   9.479   0.145   2.153
  196    HZ3  TRP  24          3HZ       TRP  24   9.158  -3.653   4.053
  197    HH2  TRP  24           HH       TRP  24  10.449  -2.017   2.791
  198    H    CYS  25           H        CYS  25   1.908  -0.038   3.655
  199    HA   CYS  25           HA       CYS  25   1.816  -0.304   0.791
  200    HB2  CYS  25          2HB       CYS  25   0.400   1.495   2.736
  201    HB3  CYS  25          1HB       CYS  25   0.363   1.813   1.003
  202    H    LYS  26           H        LYS  26   3.314   0.469  -0.382
  203    HA   LYS  26           HA       LYS  26   4.930   2.673   0.654
  204    HB2  LYS  26          2HB       LYS  26   6.131   0.644  -0.021
  205    HB3  LYS  26          1HB       LYS  26   5.438   0.756  -1.632
  206    HG2  LYS  26          2HG       LYS  26   6.595   2.903  -1.964
  207    HG3  LYS  26          1HG       LYS  26   7.318   2.742  -0.366
  208    HD2  LYS  26          2HD       LYS  26   7.708   0.851  -2.691
  209    HD3  LYS  26          1HD       LYS  26   8.874   2.051  -2.139
  210    HE2  LYS  26          2HE       LYS  26   8.993   0.891   0.036
  211    HE3  LYS  26          1HE       LYS  26   7.867  -0.322  -0.565
  212    HZ1  LYS  26          1HZ       LYS  26   9.488  -0.838  -2.317
  213    HZ2  LYS  26          2HZ       LYS  26  10.069  -1.151  -0.775
  214    HZ3  LYS  26          3HZ       LYS  26  10.594   0.221  -1.603
  215    H    LYS  27           H        LYS  27   4.423   4.597  -0.116
  216    HA   LYS  27           HA       LYS  27   2.675   4.764  -2.405
  217    HB2  LYS  27          2HB       LYS  27   2.658   7.191  -2.000
  218    HB3  LYS  27          1HB       LYS  27   2.143   6.249  -0.614
  219    HG2  LYS  27          2HG       LYS  27   4.390   6.568   0.378
  220    HG3  LYS  27          1HG       LYS  27   4.829   7.563  -1.016
  221    HD2  LYS  27          2HD       LYS  27   3.069   9.147  -0.437
  222    HD3  LYS  27          1HD       LYS  27   2.587   8.137   0.925
  223    HE2  LYS  27          2HE       LYS  27   4.857   8.448   1.887
  224    HE3  LYS  27          1HE       LYS  27   5.224   9.554   0.564
  225    HZ1  LYS  27          1HZ       LYS  27   3.414  10.974   1.316
  226    HZ2  LYS  27          2HZ       LYS  27   4.517  10.747   2.563
  227    HZ3  LYS  27          3HZ       LYS  27   3.059   9.915   2.558
  228    H    LYS  28           H        LYS  28   3.147   5.340  -4.324
  229    HA   LYS  28           HA       LYS  28   5.974   5.633  -4.847
  230    HB2  LYS  28          2HB       LYS  28   4.882   3.950  -6.241
  231    HB3  LYS  28          1HB       LYS  28   3.712   5.133  -6.803
  232    HG2  LYS  28          2HG       LYS  28   5.366   6.310  -8.048
  233    HG3  LYS  28          1HG       LYS  28   6.672   5.402  -7.293
  234    HD2  LYS  28          2HD       LYS  28   5.955   3.378  -8.408
  235    HD3  LYS  28          1HD       LYS  28   4.547   4.207  -9.073
  236    HE2  LYS  28          2HE       LYS  28   6.446   3.913 -10.685
  237    HE3  LYS  28          1HE       LYS  28   5.921   5.577 -10.471
  238    HZ1  LYS  28          1HZ       LYS  28   7.801   6.054  -9.159
  239    HZ2  LYS  28          2HZ       LYS  28   8.390   5.237 -10.489
  240    HZ3  LYS  28          3HZ       LYS  28   8.276   4.442  -9.017
  241    H    LEU  29           H        LEU  29   6.260   7.553  -4.071
  242    HA   LEU  29           HA       LEU  29   4.903   9.823  -5.300
  243    HB2  LEU  29          2HB       LEU  29   5.188   9.634  -2.814
  244    HB3  LEU  29          1HB       LEU  29   6.918   9.692  -3.037
  245    HG   LEU  29           HG       LEU  29   6.665  11.980  -3.967
  246   HD11  LEU  29          1HD1      LEU  29   4.575  13.186  -3.589
  247   HD12  LEU  29          2HD1      LEU  29   3.806  11.681  -3.087
  248   HD13  LEU  29          3HD1      LEU  29   4.382  11.868  -4.744
  249   HD21  LEU  29          1HD2      LEU  29   5.575  11.546  -1.192
  250   HD22  LEU  29          2HD2      LEU  29   6.245  13.058  -1.810
  251   HD23  LEU  29          3HD2      LEU  29   7.277  11.637  -1.643
  252    H    TRP  30           H        TRP  30   7.299   7.836  -5.924
  253    HA   TRP  30           HA       TRP  30   9.330   9.670  -6.881
  254    HB2  TRP  30          2HB       TRP  30   9.886   7.470  -5.751
  255    HB3  TRP  30          1HB       TRP  30   9.146   6.654  -7.119
  256    HD1  TRP  30           HD       TRP  30  10.446   7.142  -9.579
  257    HE1  TRP  30          1HE       TRP  30  12.970   7.335 -10.022
  258    HE3  TRP  30          3HE       TRP  30  12.017   8.118  -4.820
  259    HZ2  TRP  30          2HZ       TRP  30  15.330   7.830  -8.533
  260    HZ3  TRP  30          3HZ       TRP  30  14.422   8.432  -4.413
  261    HH2  TRP  30           HH       TRP  30  16.039   8.290  -6.236
  Start of MODEL   18
    1    H1   TYR   1          1HT       TYR   1 -12.988  -0.398   1.061
    2    H2   TYR   1          2HT       TYR   1 -13.870  -0.288   2.509
    3    H3   TYR   1          3HT       TYR   1 -12.493  -1.281   2.398
    4    HA   TYR   1           HA       TYR   1 -12.442   1.627   2.057
    5    HB2  TYR   1          2HB       TYR   1 -12.954   0.772   4.412
    6    HB3  TYR   1          1HB       TYR   1 -11.372   0.002   4.394
    7    HD1  TYR   1          1HD       TYR   1  -9.602   1.202   5.345
    8    HD2  TYR   1          2HD       TYR   1 -12.924   3.336   3.768
    9    HE1  TYR   1          1HE       TYR   1  -8.606   3.311   6.087
   10    HE2  TYR   1          2HE       TYR   1 -11.940   5.434   4.500
   11    HH   TYR   1           HH       TYR   1  -8.772   5.724   5.380
   12    H    CYS   2           H        CYS   2 -10.031   2.267   2.333
   13    HA   CYS   2           HA       CYS   2  -8.394   0.266   0.942
   14    HB2  CYS   2          2HB       CYS   2  -9.333   2.111  -0.538
   15    HB3  CYS   2          1HB       CYS   2  -8.367   3.218   0.440
   16    H    GLN   3           H        GLN   3  -6.128   0.558   1.287
   17    HA   GLN   3           HA       GLN   3  -5.645   1.292   4.056
   18    HB2  GLN   3          2HB       GLN   3  -3.676   0.096   2.092
   19    HB3  GLN   3          1HB       GLN   3  -3.474   0.251   3.816
   20    HG2  GLN   3          2HG       GLN   3  -5.538  -1.477   2.470
   21    HG3  GLN   3          1HG       GLN   3  -4.029  -2.034   3.188
   22   HE21  GLN   3          1HE2      GLN   3  -3.804  -1.999   5.428
   23   HE22  GLN   3          2HE2      GLN   3  -5.190  -1.872   6.462
   24    H    LYS   4           H        LYS   4  -3.999   2.658   4.740
   25    HA   LYS   4           HA       LYS   4  -3.502   4.913   2.966
   26    HB2  LYS   4          2HB       LYS   4  -2.967   4.550   5.934
   27    HB3  LYS   4          1HB       LYS   4  -2.823   6.055   5.035
   28    HG2  LYS   4          2HG       LYS   4  -5.209   6.023   4.562
   29    HG3  LYS   4          1HG       LYS   4  -5.370   4.503   5.431
   30    HD2  LYS   4          2HD       LYS   4  -6.124   6.138   6.940
   31    HD3  LYS   4          1HD       LYS   4  -4.489   5.780   7.468
   32    HE2  LYS   4          2HE       LYS   4  -5.258   8.145   5.740
   33    HE3  LYS   4          1HE       LYS   4  -5.092   8.214   7.485
   34    HZ1  LYS   4          1HZ       LYS   4  -2.736   7.584   7.188
   35    HZ2  LYS   4          2HZ       LYS   4  -3.148   9.039   6.471
   36    HZ3  LYS   4          3HZ       LYS   4  -2.936   7.691   5.505
   37    H    TRP   5           H        TRP   5  -1.223   5.824   2.951
   38    HA   TRP   5           HA       TRP   5   0.518   3.701   2.179
   39    HB2  TRP   5          2HB       TRP   5   2.181   5.361   1.553
   40    HB3  TRP   5          1HB       TRP   5   0.603   5.947   1.055
   41    HD1  TRP   5           HD       TRP   5   3.295   6.558   3.746
   42    HE1  TRP   5          1HE       TRP   5   3.041   8.938   4.643
   43    HE3  TRP   5          3HE       TRP   5  -0.931   7.945   1.222
   44    HZ2  TRP   5          2HZ       TRP   5   1.335  11.099   4.334
   45    HZ3  TRP   5          3HZ       TRP   5  -1.792  10.208   1.572
   46    HH2  TRP   5           HH       TRP   5  -0.685  11.764   3.093
   47    H    MET   6           H        MET   6   0.076   5.353   5.092
   48    HA   MET   6           HA       MET   6   2.619   4.640   6.243
   49    HB2  MET   6          2HB       MET   6   1.498   6.689   6.936
   50    HB3  MET   6          1HB       MET   6   0.094   5.776   7.454
   51    HG2  MET   6          2HG       MET   6   1.357   4.738   9.213
   52    HG3  MET   6          1HG       MET   6   2.826   5.526   8.647
   53    HE1  MET   6          1HE       MET   6   1.737   5.616  11.674
   54    HE2  MET   6          2HE       MET   6   2.060   7.304  12.075
   55    HE3  MET   6          3HE       MET   6   3.233   6.379  11.139
   56    H    TRP   7           H        TRP   7  -0.306   3.140   5.721
   57    HA   TRP   7           HA       TRP   7  -0.135   1.273   7.943
   58    HB2  TRP   7          2HB       TRP   7  -2.081   1.540   5.650
   59    HB3  TRP   7          1HB       TRP   7  -2.154   0.215   6.792
   60    HD1  TRP   7           HD       TRP   7  -1.298   3.114   8.839
   61    HE1  TRP   7          1HE       TRP   7  -3.410   4.168   9.885
   62    HE3  TRP   7          3HE       TRP   7  -4.855   0.821   5.984
   63    HZ2  TRP   7          2HZ       TRP   7  -6.201   4.039   9.534
   64    HZ3  TRP   7          3HZ       TRP   7  -7.215   1.338   6.397
   65    HH2  TRP   7           HH       TRP   7  -7.872   2.916   8.144
   66    H    THR   8           H        THR   8  -0.862  -1.099   6.854
   67    HA   THR   8           HA       THR   8   1.222  -1.688   4.915
   68    HB   THR   8           HB       THR   8   1.481  -3.896   6.120
   69    HG1  THR   8          1HG       THR   8   0.688  -3.645   8.422
   70   HG21  THR   8          1HG2      THR   8   1.977  -1.440   7.811
   71   HG22  THR   8          2HG2      THR   8   3.098  -2.118   6.642
   72   HG23  THR   8          3HG2      THR   8   2.701  -3.013   8.104
   73    H    CYS   9           H        CYS   9   0.538  -3.944   3.654
   74    HA   CYS   9           HA       CYS   9  -2.277  -4.327   4.005
   75    HB2  CYS   9          2HB       CYS   9  -2.662  -4.338   1.551
   76    HB3  CYS   9          1HB       CYS   9  -2.209  -2.765   2.178
   77    H    ASP  10           H        ASP  10  -2.812  -6.204   2.194
   78    HA   ASP  10           HA       ASP  10  -0.868  -8.367   2.576
   79    HB2  ASP  10          2HB       ASP  10  -3.809  -8.480   3.340
   80    HB3  ASP  10          1HB       ASP  10  -2.757  -9.870   3.220
   81    H    SER  11           H        SER  11  -2.298 -10.351   1.484
   82    HA   SER  11           HA       SER  11  -3.006  -9.554  -1.145
   83    HB2  SER  11          2HB       SER  11  -3.621 -12.127   0.334
   84    HB3  SER  11          1HB       SER  11  -3.532 -11.915  -1.420
   85    HG   SER  11           HG       SER  11  -1.588 -12.785  -0.709
   86    H    GLU  12           H        GLU  12  -4.561 -10.063   1.897
   87    HA   GLU  12           HA       GLU  12  -7.296 -10.010   1.013
   88    HB2  GLU  12          2HB       GLU  12  -6.149  -9.532   3.778
   89    HB3  GLU  12          1HB       GLU  12  -7.813  -9.944   3.396
   90    HG2  GLU  12          2HG       GLU  12  -7.169 -12.141   2.691
   91    HG3  GLU  12          1HG       GLU  12  -5.461 -11.734   2.836
   92    H    ARG  13           H        ARG  13  -5.619  -7.829   3.290
   93    HA   ARG  13           HA       ARG  13  -7.244  -5.567   2.745
   94    HB2  ARG  13          2HB       ARG  13  -4.485  -5.709   4.006
   95    HB3  ARG  13          1HB       ARG  13  -5.518  -4.295   4.011
   96    HG2  ARG  13          2HG       ARG  13  -7.156  -5.529   5.380
   97    HG3  ARG  13          1HG       ARG  13  -6.062  -6.915   5.402
   98    HD2  ARG  13          2HD       ARG  13  -5.420  -4.153   6.453
   99    HD3  ARG  13          1HD       ARG  13  -5.870  -5.534   7.452
  100    HE   ARG  13           HE       ARG  13  -3.768  -6.538   6.206
  101   HH11  ARG  13          1HH1      ARG  13  -4.062  -3.355   7.764
  102   HH12  ARG  13          2HH1      ARG  13  -2.395  -3.191   8.039
  103   HH21  ARG  13          1HH2      ARG  13  -1.524  -6.326   6.649
  104   HH22  ARG  13          2HH2      ARG  13  -0.926  -4.898   7.397
  105    H    LYS  14           H        LYS  14  -7.140  -4.315   1.001
  106    HA   LYS  14           HA       LYS  14  -4.720  -4.524  -0.604
  107    HB2  LYS  14          2HB       LYS  14  -6.186  -3.820  -2.520
  108    HB3  LYS  14          1HB       LYS  14  -6.537  -5.393  -1.821
  109    HG2  LYS  14          2HG       LYS  14  -8.391  -4.350  -0.539
  110    HG3  LYS  14          1HG       LYS  14  -8.059  -2.840  -1.386
  111    HD2  LYS  14          2HD       LYS  14  -9.910  -4.008  -2.447
  112    HD3  LYS  14          1HD       LYS  14  -8.519  -3.964  -3.528
  113    HE2  LYS  14          2HE       LYS  14  -9.584  -6.159  -3.565
  114    HE3  LYS  14          1HE       LYS  14  -7.955  -6.270  -2.913
  115    HZ1  LYS  14          1HZ       LYS  14  -9.530  -7.587  -1.652
  116    HZ2  LYS  14          2HZ       LYS  14 -10.462  -6.224  -1.319
  117    HZ3  LYS  14          3HZ       LYS  14  -8.917  -6.364  -0.666
  118    H    CYS  15           H        CYS  15  -3.548  -2.861  -1.046
  119    HA   CYS  15           HA       CYS  15  -4.177  -0.379   0.298
  120    HB2  CYS  15          2HB       CYS  15  -1.901  -1.649   0.273
  121    HB3  CYS  15          1HB       CYS  15  -1.703  -0.926  -1.314
  122    H    CYS  16           H        CYS  16  -3.792   1.693  -0.894
  123    HA   CYS  16           HA       CYS  16  -5.560   1.709  -3.076
  124    HB2  CYS  16          2HB       CYS  16  -3.853   3.904  -1.925
  125    HB3  CYS  16          1HB       CYS  16  -5.102   4.142  -3.141
  126    H    LYS  17           H        LYS  17  -5.290   2.308  -5.175
  127    HA   LYS  17           HA       LYS  17  -2.815   1.643  -6.392
  128    HB2  LYS  17          2HB       LYS  17  -5.338   2.905  -7.478
  129    HB3  LYS  17          1HB       LYS  17  -3.981   2.386  -8.477
  130    HG2  LYS  17          2HG       LYS  17  -4.276   0.120  -7.861
  131    HG3  LYS  17          1HG       LYS  17  -5.443   0.536  -6.614
  132    HD2  LYS  17          2HD       LYS  17  -6.958   1.356  -8.373
  133    HD3  LYS  17          1HD       LYS  17  -5.787   0.833  -9.589
  134    HE2  LYS  17          2HE       LYS  17  -7.555  -0.822  -9.278
  135    HE3  LYS  17          1HE       LYS  17  -5.981  -1.461  -8.810
  136    HZ1  LYS  17          1HZ       LYS  17  -7.999  -0.391  -6.906
  137    HZ2  LYS  17          2HZ       LYS  17  -6.551  -1.137  -6.493
  138    HZ3  LYS  17          3HZ       LYS  17  -7.778  -2.020  -7.226
  139    H    GLY  18           H        GLY  18  -1.309   3.014  -7.217
  140    HA2  GLY  18          2HA       GLY  18  -0.326   5.159  -7.435
  141    HA3  GLY  18          1HA       GLY  18  -1.538   5.794  -6.311
  142    H    MET  19           H        MET  19  -0.791   2.874  -5.184
  143    HA   MET  19           HA       MET  19   1.624   3.600  -3.727
  144    HB2  MET  19          2HB       MET  19  -0.895   2.343  -2.583
  145    HB3  MET  19          1HB       MET  19   0.625   2.501  -1.722
  146    HG2  MET  19          2HG       MET  19   0.454   4.826  -1.661
  147    HG3  MET  19          1HG       MET  19  -0.937   4.854  -2.759
  148    HE1  MET  19          1HE       MET  19  -2.614   6.063   0.520
  149    HE2  MET  19          2HE       MET  19  -2.520   6.266  -1.228
  150    HE3  MET  19          3HE       MET  19  -1.087   6.531  -0.237
  151    H    VAL  20           H        VAL  20   2.595   1.597  -2.890
  152    HA   VAL  20           HA       VAL  20   2.086  -0.633  -4.731
  153    HB   VAL  20           HB       VAL  20   4.555  -0.066  -3.052
  154   HG11  VAL  20          1HG1      VAL  20   4.220  -2.439  -3.482
  155   HG12  VAL  20          2HG1      VAL  20   5.621  -1.824  -4.359
  156   HG13  VAL  20          3HG1      VAL  20   4.105  -2.119  -5.214
  157   HG21  VAL  20          1HG2      VAL  20   4.334   1.591  -4.816
  158   HG22  VAL  20          2HG2      VAL  20   4.123   0.315  -6.014
  159   HG23  VAL  20          3HG2      VAL  20   5.665   0.492  -5.177
  160    H    CYS  21           H        CYS  21   1.213  -2.392  -3.885
  161    HA   CYS  21           HA       CYS  21   0.761  -2.413  -1.029
  162    HB2  CYS  21          2HB       CYS  21  -1.125  -2.716  -2.687
  163    HB3  CYS  21          1HB       CYS  21  -0.392  -4.257  -3.116
  164    H    ARG  22           H        ARG  22   2.122  -3.445   0.152
  165    HA   ARG  22           HA       ARG  22   3.130  -6.063  -0.601
  166    HB2  ARG  22          2HB       ARG  22   4.764  -3.662   0.184
  167    HB3  ARG  22          1HB       ARG  22   5.378  -5.258   0.473
  168    HG2  ARG  22          2HG       ARG  22   4.748  -4.028  -2.185
  169    HG3  ARG  22          1HG       ARG  22   6.307  -4.302  -1.357
  170    HD2  ARG  22          2HD       ARG  22   5.922  -5.976  -3.141
  171    HD3  ARG  22          1HD       ARG  22   6.071  -6.694  -1.548
  172    HE   ARG  22           HE       ARG  22   3.416  -6.158  -2.651
  173   HH11  ARG  22          1HH1      ARG  22   5.879  -8.552  -1.730
  174   HH12  ARG  22          2HH1      ARG  22   4.800  -9.874  -1.737
  175   HH21  ARG  22          1HH2      ARG  22   1.941  -7.975  -2.655
  176   HH22  ARG  22          2HH2      ARG  22   2.510  -9.537  -2.268
  177    H    LEU  23           H        LEU  23   4.769  -6.229   1.575
  178    HA   LEU  23           HA       LEU  23   3.059  -6.848   3.722
  179    HB2  LEU  23          2HB       LEU  23   6.011  -6.247   3.745
  180    HB3  LEU  23          1HB       LEU  23   5.146  -6.630   5.215
  181    HG   LEU  23           HG       LEU  23   5.422  -8.466   2.832
  182   HD11  LEU  23          1HD1      LEU  23   6.906  -9.751   4.284
  183   HD12  LEU  23          2HD1      LEU  23   6.765  -8.510   5.529
  184   HD13  LEU  23          3HD1      LEU  23   7.538  -8.132   3.990
  185   HD21  LEU  23          1HD2      LEU  23   4.242  -8.918   5.572
  186   HD22  LEU  23          2HD2      LEU  23   4.515 -10.162   4.357
  187   HD23  LEU  23          3HD2      LEU  23   3.353  -8.876   4.047
  188    H    TRP  24           H        TRP  24   4.541  -3.864   2.823
  189    HA   TRP  24           HA       TRP  24   2.869  -2.573   4.777
  190    HB2  TRP  24          2HB       TRP  24   4.568  -0.929   5.306
  191    HB3  TRP  24          1HB       TRP  24   5.300  -2.511   5.516
  192    HD1  TRP  24           HD       TRP  24   5.507   0.627   3.539
  193    HE1  TRP  24          1HE       TRP  24   7.609   0.640   2.059
  194    HE3  TRP  24          3HE       TRP  24   6.882  -4.211   4.195
  195    HZ2  TRP  24          2HZ       TRP  24   9.612  -1.242   1.264
  196    HZ3  TRP  24          3HZ       TRP  24   8.888  -5.049   3.047
  197    HH2  TRP  24           HH       TRP  24  10.223  -3.590   1.616
  198    H    CYS  25           H        CYS  25   2.293  -0.291   3.959
  199    HA   CYS  25           HA       CYS  25   2.090  -0.361   1.081
  200    HB2  CYS  25          2HB       CYS  25   0.913   1.474   3.166
  201    HB3  CYS  25          1HB       CYS  25   0.797   1.794   1.439
  202    H    LYS  26           H        LYS  26   2.961   1.101  -0.283
  203    HA   LYS  26           HA       LYS  26   4.925   2.972   0.810
  204    HB2  LYS  26          2HB       LYS  26   6.089   0.882   0.203
  205    HB3  LYS  26          1HB       LYS  26   5.361   0.940  -1.393
  206    HG2  LYS  26          2HG       LYS  26   6.601   2.962  -1.900
  207    HG3  LYS  26          1HG       LYS  26   7.285   2.958  -0.280
  208    HD2  LYS  26          2HD       LYS  26   8.890   2.055  -1.898
  209    HD3  LYS  26          1HD       LYS  26   8.389   0.804  -0.762
  210    HE2  LYS  26          2HE       LYS  26   6.876  -0.134  -2.395
  211    HE3  LYS  26          1HE       LYS  26   7.206   1.184  -3.514
  212    HZ1  LYS  26          1HZ       LYS  26   8.421  -0.812  -4.104
  213    HZ2  LYS  26          2HZ       LYS  26   9.158  -0.866  -2.601
  214    HZ3  LYS  26          3HZ       LYS  26   9.497   0.403  -3.664
  215    H    LYS  27           H        LYS  27   5.097   4.843  -0.481
  216    HA   LYS  27           HA       LYS  27   2.864   5.455  -2.128
  217    HB2  LYS  27          2HB       LYS  27   3.943   7.596  -2.502
  218    HB3  LYS  27          1HB       LYS  27   4.031   7.163  -0.800
  219    HG2  LYS  27          2HG       LYS  27   6.362   6.455  -1.097
  220    HG3  LYS  27          1HG       LYS  27   6.255   6.852  -2.806
  221    HD2  LYS  27          2HD       LYS  27   5.921   9.167  -2.313
  222    HD3  LYS  27          1HD       LYS  27   5.831   8.837  -0.585
  223    HE2  LYS  27          2HE       LYS  27   8.232   8.410  -2.360
  224    HE3  LYS  27          1HE       LYS  27   8.016   9.731  -1.215
  225    HZ1  LYS  27          1HZ       LYS  27   7.908   8.028   0.574
  226    HZ2  LYS  27          2HZ       LYS  27   9.371   8.077  -0.216
  227    HZ3  LYS  27          3HZ       LYS  27   8.296   6.837  -0.564
  228    H    LYS  28           H        LYS  28   3.008   6.265  -4.363
  229    HA   LYS  28           HA       LYS  28   5.255   5.568  -5.974
  230    HB2  LYS  28          2HB       LYS  28   3.708   3.490  -5.745
  231    HB3  LYS  28          1HB       LYS  28   2.518   4.439  -6.613
  232    HG2  LYS  28          2HG       LYS  28   3.594   2.991  -8.173
  233    HG3  LYS  28          1HG       LYS  28   4.147   4.644  -8.482
  234    HD2  LYS  28          2HD       LYS  28   6.231   4.234  -7.362
  235    HD3  LYS  28          1HD       LYS  28   5.670   2.669  -6.784
  236    HE2  LYS  28          2HE       LYS  28   7.198   2.335  -8.617
  237    HE3  LYS  28          1HE       LYS  28   5.577   1.884  -9.126
  238    HZ1  LYS  28          1HZ       LYS  28   6.874   4.481  -9.753
  239    HZ2  LYS  28          2HZ       LYS  28   5.410   3.914 -10.411
  240    HZ3  LYS  28          3HZ       LYS  28   6.854   3.158 -10.761
  241    H    LEU  29           H        LEU  29   5.011   6.786  -7.960
  242    HA   LEU  29           HA       LEU  29   2.815   8.713  -7.850
  243    HB2  LEU  29          2HB       LEU  29   5.503   8.881  -9.253
  244    HB3  LEU  29          1HB       LEU  29   4.218  10.029  -9.516
  245    HG   LEU  29           HG       LEU  29   5.787  11.044  -8.066
  246   HD11  LEU  29          1HD1      LEU  29   3.497  11.512  -7.512
  247   HD12  LEU  29          2HD1      LEU  29   4.508  11.527  -6.072
  248   HD13  LEU  29          3HD1      LEU  29   3.462  10.147  -6.394
  249   HD21  LEU  29          1HD2      LEU  29   5.575   8.641  -6.250
  250   HD22  LEU  29          2HD2      LEU  29   6.513  10.100  -5.922
  251   HD23  LEU  29          3HD2      LEU  29   6.951   9.049  -7.269
  252    H    TRP  30           H        TRP  30   4.827   7.352 -10.397
  253    HA   TRP  30           HA       TRP  30   2.502   6.088 -11.559
  254    HB2  TRP  30          2HB       TRP  30   4.488   7.785 -13.130
  255    HB3  TRP  30          1HB       TRP  30   3.256   6.767 -13.842
  256    HD1  TRP  30           HD       TRP  30   3.919  10.241 -12.965
  257    HE1  TRP  30          1HE       TRP  30   1.765  11.660 -13.047
  258    HE3  TRP  30          3HE       TRP  30   0.468   6.484 -13.048
  259    HZ2  TRP  30          2HZ       TRP  30  -1.018  11.240 -13.126
  260    HZ3  TRP  30          3HZ       TRP  30  -1.921   7.071 -13.120
  261    HH2  TRP  30           HH       TRP  30  -2.644   9.405 -13.156
  Start of MODEL   19
    1    H1   TYR   1          1HT       TYR   1 -12.287   0.514   5.029
    2    H2   TYR   1          2HT       TYR   1 -10.713   0.987   4.591
    3    H3   TYR   1          3HT       TYR   1 -11.093  -0.630   4.745
    4    HA   TYR   1           HA       TYR   1 -12.536  -0.628   2.928
    5    HB2  TYR   1          2HB       TYR   1 -11.784   2.298   2.573
    6    HB3  TYR   1          1HB       TYR   1 -12.825   1.359   1.522
    7    HD1  TYR   1          1HD       TYR   1 -12.608   3.244   4.635
    8    HD2  TYR   1          2HD       TYR   1 -15.113   0.750   2.259
    9    HE1  TYR   1          1HE       TYR   1 -14.537   3.967   5.936
   10    HE2  TYR   1          2HE       TYR   1 -17.060   1.468   3.555
   11    HH   TYR   1           HH       TYR   1 -17.549   2.406   5.824
   12    H    CYS   2           H        CYS   2  -9.739   1.611   2.826
   13    HA   CYS   2           HA       CYS   2  -8.364  -0.278   1.090
   14    HB2  CYS   2          2HB       CYS   2  -9.408   1.490  -0.258
   15    HB3  CYS   2          1HB       CYS   2  -8.634   2.693   0.782
   16    H    GLN   3           H        GLN   3  -6.035   0.138   1.137
   17    HA   GLN   3           HA       GLN   3  -5.324   0.975   3.809
   18    HB2  GLN   3          2HB       GLN   3  -3.806  -0.765   1.882
   19    HB3  GLN   3          1HB       GLN   3  -3.169  -0.241   3.436
   20    HG2  GLN   3          2HG       GLN   3  -5.629  -1.891   2.972
   21    HG3  GLN   3          1HG       GLN   3  -4.056  -2.471   3.535
   22   HE21  GLN   3          1HE2      GLN   3  -3.410  -2.008   5.597
   23   HE22  GLN   3          2HE2      GLN   3  -4.520  -1.450   6.815
   24    H    LYS   4           H        LYS   4  -4.103   2.623   4.263
   25    HA   LYS   4           HA       LYS   4  -3.355   4.426   2.120
   26    HB2  LYS   4          2HB       LYS   4  -3.133   4.765   5.109
   27    HB3  LYS   4          1HB       LYS   4  -2.935   6.024   3.905
   28    HG2  LYS   4          2HG       LYS   4  -5.286   5.778   3.274
   29    HG3  LYS   4          1HG       LYS   4  -5.472   4.521   4.503
   30    HD2  LYS   4          2HD       LYS   4  -4.754   6.172   6.213
   31    HD3  LYS   4          1HD       LYS   4  -4.745   7.410   4.957
   32    HE2  LYS   4          2HE       LYS   4  -7.132   5.792   5.842
   33    HE3  LYS   4          1HE       LYS   4  -6.807   7.465   6.280
   34    HZ1  LYS   4          1HZ       LYS   4  -8.396   7.342   4.519
   35    HZ2  LYS   4          2HZ       LYS   4  -7.353   6.440   3.546
   36    HZ3  LYS   4          3HZ       LYS   4  -6.982   8.040   3.909
   37    H    TRP   5           H        TRP   5  -1.262   5.624   2.513
   38    HA   TRP   5           HA       TRP   5   0.974   4.018   2.045
   39    HB2  TRP   5          2HB       TRP   5   2.252   6.102   2.177
   40    HB3  TRP   5          1HB       TRP   5   0.724   6.413   1.358
   41    HD1  TRP   5           HD       TRP   5   2.708   7.357   4.438
   42    HE1  TRP   5          1HE       TRP   5   1.462   9.153   5.788
   43    HE3  TRP   5          3HE       TRP   5  -1.751   7.368   1.906
   44    HZ2  TRP   5          2HZ       TRP   5  -1.043  10.414   5.783
   45    HZ3  TRP   5          3HZ       TRP   5  -3.505   8.891   2.657
   46    HH2  TRP   5           HH       TRP   5  -3.157  10.392   4.557
   47    H    MET   6           H        MET   6  -0.345   5.292   4.942
   48    HA   MET   6           HA       MET   6   1.959   4.821   6.596
   49    HB2  MET   6          2HB       MET   6   0.504   5.623   8.427
   50    HB3  MET   6          1HB       MET   6   0.596   6.742   7.073
   51    HG2  MET   6          2HG       MET   6  -1.569   5.951   6.266
   52    HG3  MET   6          1HG       MET   6  -1.663   4.823   7.614
   53    HE1  MET   6          1HE       MET   6  -0.497   6.599  10.020
   54    HE2  MET   6          2HE       MET   6  -1.907   5.546  10.111
   55    HE3  MET   6          3HE       MET   6  -2.020   7.218  10.664
   56    H    TRP   7           H        TRP   7  -0.443   2.834   5.409
   57    HA   TRP   7           HA       TRP   7  -0.335   1.139   7.790
   58    HB2  TRP   7          2HB       TRP   7  -2.446   1.236   5.617
   59    HB3  TRP   7          1HB       TRP   7  -2.433   0.073   6.929
   60    HD1  TRP   7           HD       TRP   7  -1.559   2.618   9.054
   61    HE1  TRP   7          1HE       TRP   7  -3.525   4.079   9.892
   62    HE3  TRP   7          3HE       TRP   7  -5.023   1.384   5.567
   63    HZ2  TRP   7          2HZ       TRP   7  -6.185   4.626   9.142
   64    HZ3  TRP   7          3HZ       TRP   7  -7.259   2.402   5.676
   65    HH2  TRP   7           HH       TRP   7  -7.823   3.986   7.443
   66    H    THR   8           H        THR   8  -0.957  -1.277   6.800
   67    HA   THR   8           HA       THR   8   1.140  -1.726   4.825
   68    HB   THR   8           HB       THR   8   1.548  -3.893   6.002
   69    HG1  THR   8          1HG       THR   8   0.240  -3.270   8.298
   70   HG21  THR   8          1HG2      THR   8   2.871  -1.925   6.707
   71   HG22  THR   8          2HG2      THR   8   2.538  -2.983   8.077
   72   HG23  THR   8          3HG2      THR   8   1.609  -1.501   7.857
   73    H    CYS   9           H        CYS   9   0.616  -4.064   3.579
   74    HA   CYS   9           HA       CYS   9  -2.259  -4.426   3.692
   75    HB2  CYS   9          2HB       CYS   9  -2.489  -4.440   1.329
   76    HB3  CYS   9          1HB       CYS   9  -1.646  -2.959   1.762
   77    H    ASP  10           H        ASP  10  -2.855  -6.398   2.355
   78    HA   ASP  10           HA       ASP  10  -0.928  -8.590   2.512
   79    HB2  ASP  10          2HB       ASP  10  -3.715  -8.713   3.761
   80    HB3  ASP  10          1HB       ASP  10  -2.592 -10.047   3.622
   81    H    SER  11           H        SER  11  -2.683 -10.588   1.743
   82    HA   SER  11           HA       SER  11  -3.467  -9.832  -0.879
   83    HB2  SER  11          2HB       SER  11  -4.243 -12.274   0.734
   84    HB3  SER  11          1HB       SER  11  -4.413 -12.106  -1.015
   85    HG   SER  11           HG       SER  11  -2.138 -12.486   0.544
   86    H    GLU  12           H        GLU  12  -4.961  -9.756   2.167
   87    HA   GLU  12           HA       GLU  12  -7.710  -9.549   1.276
   88    HB2  GLU  12          2HB       GLU  12  -6.473  -8.964   3.947
   89    HB3  GLU  12          1HB       GLU  12  -8.178  -9.221   3.616
   90    HG2  GLU  12          2HG       GLU  12  -7.841 -11.505   3.185
   91    HG3  GLU  12          1HG       GLU  12  -6.087 -11.308   3.131
   92    H    ARG  13           H        ARG  13  -5.769  -7.429   3.355
   93    HA   ARG  13           HA       ARG  13  -7.164  -5.028   2.622
   94    HB2  ARG  13          2HB       ARG  13  -4.537  -5.414   4.082
   95    HB3  ARG  13          1HB       ARG  13  -5.451  -3.925   3.994
   96    HG2  ARG  13          2HG       ARG  13  -7.211  -4.886   5.322
   97    HG3  ARG  13          1HG       ARG  13  -6.387  -6.446   5.341
   98    HD2  ARG  13          2HD       ARG  13  -5.296  -3.857   6.465
   99    HD3  ARG  13          1HD       ARG  13  -5.978  -5.166   7.427
  100    HE   ARG  13           HE       ARG  13  -4.042  -6.485   6.207
  101   HH11  ARG  13          1HH1      ARG  13  -3.850  -3.313   7.762
  102   HH12  ARG  13          2HH1      ARG  13  -2.173  -3.403   8.037
  103   HH21  ARG  13          1HH2      ARG  13  -1.833  -6.623   6.614
  104   HH22  ARG  13          2HH2      ARG  13  -0.982  -5.309   7.357
  105    H    LYS  14           H        LYS  14  -6.729  -4.106   0.603
  106    HA   LYS  14           HA       LYS  14  -3.966  -4.328  -0.301
  107    HB2  LYS  14          2HB       LYS  14  -4.806  -3.863  -2.616
  108    HB3  LYS  14          1HB       LYS  14  -5.329  -5.388  -1.931
  109    HG2  LYS  14          2HG       LYS  14  -7.521  -4.394  -1.428
  110    HG3  LYS  14          1HG       LYS  14  -6.960  -2.883  -2.150
  111    HD2  LYS  14          2HD       LYS  14  -7.116  -5.516  -3.624
  112    HD3  LYS  14          1HD       LYS  14  -8.359  -4.267  -3.690
  113    HE2  LYS  14          2HE       LYS  14  -6.694  -2.694  -4.608
  114    HE3  LYS  14          1HE       LYS  14  -5.480  -3.967  -4.562
  115    HZ1  LYS  14          1HZ       LYS  14  -6.798  -5.219  -6.159
  116    HZ2  LYS  14          2HZ       LYS  14  -6.462  -3.688  -6.765
  117    HZ3  LYS  14          3HZ       LYS  14  -7.980  -4.025  -6.153
  118    H    CYS  15           H        CYS  15  -2.779  -2.599  -0.974
  119    HA   CYS  15           HA       CYS  15  -3.319  -0.072   0.230
  120    HB2  CYS  15          2HB       CYS  15  -1.332  -0.685  -1.961
  121    HB3  CYS  15          1HB       CYS  15  -1.316   0.701  -0.884
  122    H    CYS  16           H        CYS  16  -3.745   1.888  -0.674
  123    HA   CYS  16           HA       CYS  16  -5.697   1.898  -2.674
  124    HB2  CYS  16          2HB       CYS  16  -4.170   4.153  -1.389
  125    HB3  CYS  16          1HB       CYS  16  -5.528   4.393  -2.487
  126    H    LYS  17           H        LYS  17  -5.634   3.459  -4.568
  127    HA   LYS  17           HA       LYS  17  -3.650   2.413  -6.269
  128    HB2  LYS  17          2HB       LYS  17  -5.876   4.378  -6.751
  129    HB3  LYS  17          1HB       LYS  17  -4.715   3.969  -8.002
  130    HG2  LYS  17          2HG       LYS  17  -6.683   2.638  -8.344
  131    HG3  LYS  17          1HG       LYS  17  -5.395   1.582  -7.783
  132    HD2  LYS  17          2HD       LYS  17  -6.349   1.672  -5.515
  133    HD3  LYS  17          1HD       LYS  17  -7.654   2.689  -6.121
  134    HE2  LYS  17          2HE       LYS  17  -8.347   0.893  -7.630
  135    HE3  LYS  17          1HE       LYS  17  -7.043  -0.122  -7.019
  136    HZ1  LYS  17          1HZ       LYS  17  -9.347   0.902  -5.441
  137    HZ2  LYS  17          2HZ       LYS  17  -8.059   0.090  -4.800
  138    HZ3  LYS  17          3HZ       LYS  17  -9.066  -0.709  -5.865
  139    H    GLY  18           H        GLY  18  -1.905   3.205  -7.030
  140    HA2  GLY  18          2HA       GLY  18  -0.343   4.912  -7.531
  141    HA3  GLY  18          1HA       GLY  18  -1.135   5.952  -6.345
  142    H    MET  19           H        MET  19  -0.994   2.884  -5.162
  143    HA   MET  19           HA       MET  19   1.552   3.370  -3.811
  144    HB2  MET  19          2HB       MET  19  -0.977   2.168  -2.658
  145    HB3  MET  19          1HB       MET  19   0.562   2.301  -1.814
  146    HG2  MET  19          2HG       MET  19   0.448   4.669  -1.846
  147    HG3  MET  19          1HG       MET  19  -1.009   4.651  -2.849
  148    HE1  MET  19          1HE       MET  19  -2.524   6.008   0.412
  149    HE2  MET  19          2HE       MET  19  -2.419   6.158  -1.342
  150    HE3  MET  19          3HE       MET  19  -0.989   6.438  -0.345
  151    H    VAL  20           H        VAL  20   2.554   1.436  -3.066
  152    HA   VAL  20           HA       VAL  20   2.121  -0.821  -4.887
  153    HB   VAL  20           HB       VAL  20   4.571  -0.104  -3.233
  154   HG11  VAL  20          1HG1      VAL  20   4.232  -2.154  -5.417
  155   HG12  VAL  20          2HG1      VAL  20   4.399  -2.485  -3.693
  156   HG13  VAL  20          3HG1      VAL  20   5.739  -1.768  -4.586
  157   HG21  VAL  20          1HG2      VAL  20   4.099   0.298  -6.190
  158   HG22  VAL  20          2HG2      VAL  20   5.627   0.569  -5.353
  159   HG23  VAL  20          3HG2      VAL  20   4.224   1.568  -4.973
  160    H    CYS  21           H        CYS  21   1.445  -2.666  -4.002
  161    HA   CYS  21           HA       CYS  21   0.904  -2.682  -1.150
  162    HB2  CYS  21          2HB       CYS  21  -0.822  -3.193  -2.979
  163    HB3  CYS  21          1HB       CYS  21   0.062  -4.687  -3.238
  164    H    ARG  22           H        ARG  22   2.105  -3.822   0.218
  165    HA   ARG  22           HA       ARG  22   3.349  -6.277  -0.428
  166    HB2  ARG  22          2HB       ARG  22   4.898  -4.382  -1.311
  167    HB3  ARG  22          1HB       ARG  22   5.186  -4.020   0.386
  168    HG2  ARG  22          2HG       ARG  22   6.124  -6.241   0.735
  169    HG3  ARG  22          1HG       ARG  22   5.713  -6.681  -0.923
  170    HD2  ARG  22          2HD       ARG  22   7.199  -5.072  -1.732
  171    HD3  ARG  22          1HD       ARG  22   7.537  -4.482  -0.091
  172    HE   ARG  22           HE       ARG  22   8.030  -7.292  -0.620
  173   HH11  ARG  22          1HH1      ARG  22   9.512  -4.075  -0.451
  174   HH12  ARG  22          2HH1      ARG  22  11.047  -4.662  -0.027
  175   HH21  ARG  22          1HH2      ARG  22  10.108  -8.089  -0.081
  176   HH22  ARG  22          2HH2      ARG  22  11.418  -7.035   0.181
  177    H    LEU  23           H        LEU  23   5.052  -6.317   1.864
  178    HA   LEU  23           HA       LEU  23   3.449  -6.732   4.031
  179    HB2  LEU  23          2HB       LEU  23   6.347  -5.883   4.054
  180    HB3  LEU  23          1HB       LEU  23   5.489  -6.445   5.466
  181    HG   LEU  23           HG       LEU  23   6.819  -8.224   4.757
  182   HD11  LEU  23          1HD1      LEU  23   4.637  -8.943   5.407
  183   HD12  LEU  23          2HD1      LEU  23   5.288  -9.998   4.152
  184   HD13  LEU  23          3HD1      LEU  23   4.061  -8.800   3.744
  185   HD21  LEU  23          1HD2      LEU  23   7.360  -7.434   2.504
  186   HD22  LEU  23          2HD2      LEU  23   5.752  -7.923   1.954
  187   HD23  LEU  23          3HD2      LEU  23   6.899  -9.133   2.506
  188    H    TRP  24           H        TRP  24   4.531  -3.685   2.834
  189    HA   TRP  24           HA       TRP  24   2.812  -2.470   4.737
  190    HB2  TRP  24          2HB       TRP  24   4.335  -0.700   5.372
  191    HB3  TRP  24          1HB       TRP  24   5.163  -2.221   5.655
  192    HD1  TRP  24           HD       TRP  24   5.326   0.937   3.773
  193    HE1  TRP  24          1HE       TRP  24   7.560   1.094   2.441
  194    HE3  TRP  24          3HE       TRP  24   6.885  -3.846   4.356
  195    HZ2  TRP  24          2HZ       TRP  24   9.693  -0.664   1.749
  196    HZ3  TRP  24          3HZ       TRP  24   9.012  -4.553   3.333
  197    HH2  TRP  24           HH       TRP  24  10.379  -2.993   2.061
  198    H    CYS  25           H        CYS  25   2.122  -0.243   3.833
  199    HA   CYS  25           HA       CYS  25   2.063  -0.417   0.953
  200    HB2  CYS  25          2HB       CYS  25   0.646   1.416   2.891
  201    HB3  CYS  25          1HB       CYS  25   0.508   1.557   1.143
  202    H    LYS  26           H        LYS  26   2.938   0.978  -0.409
  203    HA   LYS  26           HA       LYS  26   4.643   3.124   0.659
  204    HB2  LYS  26          2HB       LYS  26   6.002   1.167   0.218
  205    HB3  LYS  26          1HB       LYS  26   5.305   0.995  -1.384
  206    HG2  LYS  26          2HG       LYS  26   6.327   3.149  -2.018
  207    HG3  LYS  26          1HG       LYS  26   7.065   3.230  -0.420
  208    HD2  LYS  26          2HD       LYS  26   7.525   1.046  -2.457
  209    HD3  LYS  26          1HD       LYS  26   8.631   2.378  -2.124
  210    HE2  LYS  26          2HE       LYS  26   8.916   1.586   0.165
  211    HE3  LYS  26          1HE       LYS  26   7.773   0.278  -0.130
  212    HZ1  LYS  26          1HZ       LYS  26  10.349   0.653  -1.522
  213    HZ2  LYS  26          2HZ       LYS  26   9.271  -0.607  -1.788
  214    HZ3  LYS  26          3HZ       LYS  26  10.066  -0.471  -0.313
  215    H    LYS  27           H        LYS  27   4.564   4.974  -0.677
  216    HA   LYS  27           HA       LYS  27   2.557   4.974  -2.781
  217    HB2  LYS  27          2HB       LYS  27   4.495   7.126  -1.950
  218    HB3  LYS  27          1HB       LYS  27   3.195   7.322  -3.098
  219    HG2  LYS  27          2HG       LYS  27   1.577   6.940  -1.295
  220    HG3  LYS  27          1HG       LYS  27   2.924   6.805  -0.150
  221    HD2  LYS  27          2HD       LYS  27   3.688   9.041  -0.799
  222    HD3  LYS  27          1HD       LYS  27   2.329   9.175  -1.903
  223    HE2  LYS  27          2HE       LYS  27   0.783   9.029  -0.030
  224    HE3  LYS  27          1HE       LYS  27   2.139   8.869   1.085
  225    HZ1  LYS  27          1HZ       LYS  27   1.293  11.148   0.962
  226    HZ2  LYS  27          2HZ       LYS  27   1.668  11.204  -0.680
  227    HZ3  LYS  27          3HZ       LYS  27   2.901  11.055   0.455
  228    H    LYS  28           H        LYS  28   3.038   5.426  -4.975
  229    HA   LYS  28           HA       LYS  28   5.610   4.511  -5.823
  230    HB2  LYS  28          2HB       LYS  28   4.803   4.903  -8.097
  231    HB3  LYS  28          1HB       LYS  28   3.634   3.986  -7.163
  232    HG2  LYS  28          2HG       LYS  28   2.293   5.966  -6.860
  233    HG3  LYS  28          1HG       LYS  28   3.491   6.927  -7.732
  234    HD2  LYS  28          2HD       LYS  28   3.133   5.560  -9.715
  235    HD3  LYS  28          1HD       LYS  28   1.929   4.614  -8.838
  236    HE2  LYS  28          2HE       LYS  28   0.857   6.282 -10.215
  237    HE3  LYS  28          1HE       LYS  28   0.634   6.579  -8.484
  238    HZ1  LYS  28          1HZ       LYS  28   2.088   8.387  -8.515
  239    HZ2  LYS  28          2HZ       LYS  28   1.246   8.585  -9.963
  240    HZ3  LYS  28          3HZ       LYS  28   2.800   7.939  -9.962
  241    H    LEU  29           H        LEU  29   7.294   5.750  -6.524
  242    HA   LEU  29           HA       LEU  29   7.405   8.402  -5.573
  243    HB2  LEU  29          2HB       LEU  29   9.359   6.882  -5.654
  244    HB3  LEU  29          1HB       LEU  29   9.316   6.915  -7.397
  245    HG   LEU  29           HG       LEU  29   9.826   9.438  -5.802
  246   HD11  LEU  29          1HD1      LEU  29  11.445   7.762  -5.081
  247   HD12  LEU  29          2HD1      LEU  29  12.210   9.006  -6.070
  248   HD13  LEU  29          3HD1      LEU  29  11.849   7.426  -6.764
  249   HD21  LEU  29          1HD2      LEU  29  10.987  10.141  -7.837
  250   HD22  LEU  29          2HD2      LEU  29   9.323   9.689  -8.209
  251   HD23  LEU  29          3HD2      LEU  29  10.640   8.584  -8.590
  252    H    TRP  30           H        TRP  30   6.989   7.007  -8.736
  253    HA   TRP  30           HA       TRP  30   6.757   9.679  -9.870
  254    HB2  TRP  30          2HB       TRP  30   8.322   8.041 -10.942
  255    HB3  TRP  30          1HB       TRP  30   6.939   7.020 -11.309
  256    HD1  TRP  30           HD       TRP  30   5.499   7.651 -13.401
  257    HE1  TRP  30          1HE       TRP  30   5.742   9.421 -15.256
  258    HE3  TRP  30          3HE       TRP  30   9.188  10.509 -11.330
  259    HZ2  TRP  30          2HZ       TRP  30   7.290  11.710 -15.779
  260    HZ3  TRP  30          3HZ       TRP  30   9.997  12.475 -12.579
  261    HH2  TRP  30           HH       TRP  30   9.061  13.056 -14.757
  Start of MODEL   20
    1    H1   TYR   1          1HT       TYR   1  -9.869   0.025   5.372
    2    H2   TYR   1          2HT       TYR   1 -11.515   0.291   5.486
    3    H3   TYR   1          3HT       TYR   1 -10.582   1.262   4.462
    4    HA   TYR   1           HA       TYR   1 -11.078  -1.642   4.191
    5    HB2  TYR   1          2HB       TYR   1 -13.023  -0.101   3.642
    6    HB3  TYR   1          1HB       TYR   1 -12.015   0.625   2.400
    7    HD1  TYR   1          1HD       TYR   1 -13.822  -2.395   3.417
    8    HD2  TYR   1          2HD       TYR   1 -11.632  -0.515   0.297
    9    HE1  TYR   1          1HE       TYR   1 -14.577  -4.116   1.864
   10    HE2  TYR   1          2HE       TYR   1 -12.382  -2.237  -1.273
   11    HH   TYR   1           HH       TYR   1 -14.864  -4.460  -0.483
   12    H    CYS   2           H        CYS   2  -9.978   1.215   2.325
   13    HA   CYS   2           HA       CYS   2  -8.030  -0.438   0.958
   14    HB2  CYS   2          2HB       CYS   2  -9.422   1.444  -0.145
   15    HB3  CYS   2          1HB       CYS   2  -8.408   2.539   0.796
   16    H    GLN   3           H        GLN   3  -5.809   0.103   1.134
   17    HA   GLN   3           HA       GLN   3  -5.271   0.926   3.870
   18    HB2  GLN   3          2HB       GLN   3  -3.329  -0.450   2.007
   19    HB3  GLN   3          1HB       GLN   3  -3.121  -0.140   3.711
   20    HG2  GLN   3          2HG       GLN   3  -5.168  -1.972   2.497
   21    HG3  GLN   3          1HG       GLN   3  -3.704  -2.444   3.356
   22   HE21  GLN   3          1HE2      GLN   3  -3.620  -2.182   5.574
   23   HE22  GLN   3          2HE2      GLN   3  -5.040  -1.942   6.531
   24    H    LYS   4           H        LYS   4  -3.952   2.479   4.486
   25    HA   LYS   4           HA       LYS   4  -3.272   4.491   2.491
   26    HB2  LYS   4          2HB       LYS   4  -3.174   4.627   5.510
   27    HB3  LYS   4          1HB       LYS   4  -2.937   5.972   4.406
   28    HG2  LYS   4          2HG       LYS   4  -5.261   5.718   3.641
   29    HG3  LYS   4          1HG       LYS   4  -5.483   4.417   4.815
   30    HD2  LYS   4          2HD       LYS   4  -4.913   5.975   6.616
   31    HD3  LYS   4          1HD       LYS   4  -4.758   7.276   5.433
   32    HE2  LYS   4          2HE       LYS   4  -7.148   6.881   4.809
   33    HE3  LYS   4          1HE       LYS   4  -7.232   5.711   6.120
   34    HZ1  LYS   4          1HZ       LYS   4  -8.064   7.910   6.773
   35    HZ2  LYS   4          2HZ       LYS   4  -6.537   8.572   6.500
   36    HZ3  LYS   4          3HZ       LYS   4  -6.753   7.432   7.703
   37    H    TRP   5           H        TRP   5  -1.173   5.662   3.016
   38    HA   TRP   5           HA       TRP   5   0.971   3.934   2.498
   39    HB2  TRP   5          2HB       TRP   5   2.376   5.932   2.610
   40    HB3  TRP   5          1HB       TRP   5   0.902   6.254   1.708
   41    HD1  TRP   5           HD       TRP   5   2.778   7.261   4.834
   42    HE1  TRP   5          1HE       TRP   5   1.626   9.309   5.921
   43    HE3  TRP   5          3HE       TRP   5  -1.487   7.422   2.013
   44    HZ2  TRP   5          2HZ       TRP   5  -0.751  10.763   5.625
   45    HZ3  TRP   5          3HZ       TRP   5  -3.144   9.160   2.495
   46    HH2  TRP   5           HH       TRP   5  -2.782  10.796   4.258
   47    H    MET   6           H        MET   6  -0.225   5.174   5.486
   48    HA   MET   6           HA       MET   6   2.174   4.549   6.972
   49    HB2  MET   6          2HB       MET   6   0.747   6.495   7.518
   50    HB3  MET   6          1HB       MET   6  -0.565   5.393   7.907
   51    HG2  MET   6          2HG       MET   6   0.635   4.508   9.749
   52    HG3  MET   6          1HG       MET   6   2.073   5.413   9.280
   53    HE1  MET   6          1HE       MET   6   0.978   7.204  12.610
   54    HE2  MET   6          2HE       MET   6   2.304   6.432  11.739
   55    HE3  MET   6          3HE       MET   6   0.899   5.483  12.232
   56    H    TRP   7           H        TRP   7  -0.396   2.908   5.818
   57    HA   TRP   7           HA       TRP   7  -0.550   0.920   7.973
   58    HB2  TRP   7          2HB       TRP   7  -2.279   1.306   5.514
   59    HB3  TRP   7          1HB       TRP   7  -2.525   0.051   6.714
   60    HD1  TRP   7           HD       TRP   7  -1.690   3.132   8.562
   61    HE1  TRP   7          1HE       TRP   7  -3.817   4.312   9.392
   62    HE3  TRP   7          3HE       TRP   7  -5.142   0.608   5.795
   63    HZ2  TRP   7          2HZ       TRP   7  -6.591   4.190   8.924
   64    HZ3  TRP   7          3HZ       TRP   7  -7.506   1.203   6.027
   65    HH2  TRP   7           HH       TRP   7  -8.217   2.958   7.568
   66    H    THR   8           H        THR   8  -1.059  -1.402   6.767
   67    HA   THR   8           HA       THR   8   1.063  -1.744   4.791
   68    HB   THR   8           HB       THR   8   1.533  -3.965   5.839
   69    HG1  THR   8          1HG       THR   8   0.460  -4.624   7.604
   70   HG21  THR   8          1HG2      THR   8   2.610  -3.171   7.908
   71   HG22  THR   8          2HG2      THR   8   1.640  -1.700   7.848
   72   HG23  THR   8          3HG2      THR   8   2.847  -1.994   6.613
   73    H    CYS   9           H        CYS   9   0.578  -3.901   3.348
   74    HA   CYS   9           HA       CYS   9  -2.242  -4.506   3.611
   75    HB2  CYS   9          2HB       CYS   9  -2.599  -4.343   1.203
   76    HB3  CYS   9          1HB       CYS   9  -2.116  -2.795   1.881
   77    H    ASP  10           H        ASP  10  -2.861  -6.415   2.339
   78    HA   ASP  10           HA       ASP  10  -0.788  -8.287   1.694
   79    HB2  ASP  10          2HB       ASP  10  -2.669  -8.790   4.045
   80    HB3  ASP  10          1HB       ASP  10  -1.776 -10.068   3.236
   81    H    SER  11           H        SER  11  -3.048 -10.398   2.135
   82    HA   SER  11           HA       SER  11  -3.975 -10.152  -0.552
   83    HB2  SER  11          2HB       SER  11  -3.349 -12.311   0.570
   84    HB3  SER  11          1HB       SER  11  -4.795 -12.154   1.556
   85    HG   SER  11           HG       SER  11  -5.716 -13.174   0.022
   86    H    GLU  12           H        GLU  12  -5.542  -9.942   2.644
   87    HA   GLU  12           HA       GLU  12  -8.147  -9.519   1.477
   88    HB2  GLU  12          2HB       GLU  12  -7.215  -9.401   4.343
   89    HB3  GLU  12          1HB       GLU  12  -8.887  -9.282   3.817
   90    HG2  GLU  12          2HG       GLU  12  -7.107 -11.651   3.316
   91    HG3  GLU  12          1HG       GLU  12  -8.261 -11.531   4.640
   92    H    ARG  13           H        ARG  13  -5.804  -7.568   3.231
   93    HA   ARG  13           HA       ARG  13  -7.386  -5.181   2.695
   94    HB2  ARG  13          2HB       ARG  13  -4.805  -5.568   4.199
   95    HB3  ARG  13          1HB       ARG  13  -5.634  -4.037   4.006
   96    HG2  ARG  13          2HG       ARG  13  -6.858  -6.424   5.297
   97    HG3  ARG  13          1HG       ARG  13  -5.966  -5.194   6.213
   98    HD2  ARG  13          2HD       ARG  13  -8.247  -4.646   6.442
   99    HD3  ARG  13          1HD       ARG  13  -7.635  -3.542   5.222
  100    HE   ARG  13           HE       ARG  13  -8.648  -5.649   3.799
  101   HH11  ARG  13          1HH1      ARG  13  -9.994  -3.430   6.212
  102   HH12  ARG  13          2HH1      ARG  13 -11.589  -3.517   5.596
  103   HH21  ARG  13          1HH2      ARG  13 -10.856  -5.712   2.929
  104   HH22  ARG  13          2HH2      ARG  13 -12.062  -4.812   3.732
  105    H    LYS  14           H        LYS  14  -7.137  -4.355   0.844
  106    HA   LYS  14           HA       LYS  14  -4.577  -4.678  -0.554
  107    HB2  LYS  14          2HB       LYS  14  -7.215  -3.767  -1.720
  108    HB3  LYS  14          1HB       LYS  14  -5.743  -4.132  -2.602
  109    HG2  LYS  14          2HG       LYS  14  -5.938  -6.493  -1.894
  110    HG3  LYS  14          1HG       LYS  14  -7.436  -6.093  -1.067
  111    HD2  LYS  14          2HD       LYS  14  -7.949  -7.066  -3.215
  112    HD3  LYS  14          1HD       LYS  14  -8.402  -5.365  -3.227
  113    HE2  LYS  14          2HE       LYS  14  -7.313  -5.994  -5.313
  114    HE3  LYS  14          1HE       LYS  14  -6.322  -4.836  -4.440
  115    HZ1  LYS  14          1HZ       LYS  14  -5.901  -7.781  -4.451
  116    HZ2  LYS  14          2HZ       LYS  14  -4.904  -6.643  -3.697
  117    HZ3  LYS  14          3HZ       LYS  14  -5.022  -6.681  -5.361
  118    H    CYS  15           H        CYS  15  -3.457  -2.950  -1.268
  119    HA   CYS  15           HA       CYS  15  -3.963  -0.514   0.193
  120    HB2  CYS  15          2HB       CYS  15  -1.703  -1.702  -0.054
  121    HB3  CYS  15          1HB       CYS  15  -1.685  -1.066  -1.690
  122    H    CYS  16           H        CYS  16  -3.703   1.566  -0.945
  123    HA   CYS  16           HA       CYS  16  -5.548   1.568  -3.100
  124    HB2  CYS  16          2HB       CYS  16  -4.076   3.844  -1.780
  125    HB3  CYS  16          1HB       CYS  16  -5.389   4.016  -2.940
  126    H    LYS  17           H        LYS  17  -5.231   2.287  -5.193
  127    HA   LYS  17           HA       LYS  17  -2.703   1.744  -6.330
  128    HB2  LYS  17          2HB       LYS  17  -5.372   2.420  -7.342
  129    HB3  LYS  17          1HB       LYS  17  -4.075   3.097  -8.312
  130    HG2  LYS  17          2HG       LYS  17  -4.838   0.894  -9.135
  131    HG3  LYS  17          1HG       LYS  17  -3.136   0.909  -8.699
  132    HD2  LYS  17          2HD       LYS  17  -4.106  -1.149  -7.925
  133    HD3  LYS  17          1HD       LYS  17  -3.753  -0.152  -6.519
  134    HE2  LYS  17          2HE       LYS  17  -5.903  -1.210  -6.245
  135    HE3  LYS  17          1HE       LYS  17  -6.127   0.526  -6.449
  136    HZ1  LYS  17          1HZ       LYS  17  -6.454  -1.492  -8.597
  137    HZ2  LYS  17          2HZ       LYS  17  -6.835   0.155  -8.718
  138    HZ3  LYS  17          3HZ       LYS  17  -7.708  -0.856  -7.693
  139    H    GLY  18           H        GLY  18  -1.198   3.059  -7.233
  140    HA2  GLY  18          2HA       GLY  18  -0.300   5.270  -7.618
  141    HA3  GLY  18          1HA       GLY  18  -1.261   5.827  -6.238
  142    H    MET  19           H        MET  19  -0.725   3.248  -4.931
  143    HA   MET  19           HA       MET  19   2.020   3.706  -3.971
  144    HB2  MET  19          2HB       MET  19  -0.334   2.382  -2.599
  145    HB3  MET  19          1HB       MET  19   1.264   2.600  -1.907
  146    HG2  MET  19          2HG       MET  19   0.993   4.946  -1.861
  147    HG3  MET  19          1HG       MET  19  -0.556   4.848  -2.718
  148    HE1  MET  19          1HE       MET  19  -1.777   5.957   0.745
  149    HE2  MET  19          2HE       MET  19  -1.826   6.226  -0.998
  150    HE3  MET  19          3HE       MET  19  -0.333   6.517  -0.101
  151    H    VAL  20           H        VAL  20   2.905   1.562  -3.119
  152    HA   VAL  20           HA       VAL  20   2.218  -0.587  -4.980
  153    HB   VAL  20           HB       VAL  20   4.697  -0.240  -3.250
  154   HG11  VAL  20          1HG1      VAL  20   4.203  -2.575  -3.715
  155   HG12  VAL  20          2HG1      VAL  20   5.641  -2.061  -4.599
  156   HG13  VAL  20          3HG1      VAL  20   4.102  -2.224  -5.440
  157   HG21  VAL  20          1HG2      VAL  20   5.888   0.235  -5.352
  158   HG22  VAL  20          2HG2      VAL  20   4.665   1.448  -4.980
  159   HG23  VAL  20          3HG2      VAL  20   4.345   0.223  -6.208
  160    H    CYS  21           H        CYS  21   1.225  -2.297  -4.135
  161    HA   CYS  21           HA       CYS  21   0.716  -2.312  -1.304
  162    HB2  CYS  21          2HB       CYS  21  -1.068  -2.849  -3.023
  163    HB3  CYS  21          1HB       CYS  21  -0.186  -4.330  -3.380
  164    H    ARG  22           H        ARG  22   2.203  -3.078  -0.078
  165    HA   ARG  22           HA       ARG  22   3.706  -5.458  -0.831
  166    HB2  ARG  22          2HB       ARG  22   4.858  -3.258  -1.503
  167    HB3  ARG  22          1HB       ARG  22   4.909  -2.856   0.196
  168    HG2  ARG  22          2HG       ARG  22   7.049  -3.634  -0.613
  169    HG3  ARG  22          1HG       ARG  22   6.441  -4.754   0.591
  170    HD2  ARG  22          2HD       ARG  22   7.372  -5.989  -1.254
  171    HD3  ARG  22          1HD       ARG  22   5.624  -6.196  -1.260
  172    HE   ARG  22           HE       ARG  22   6.815  -4.144  -2.955
  173   HH11  ARG  22          1HH1      ARG  22   5.167  -7.286  -2.702
  174   HH12  ARG  22          2HH1      ARG  22   4.841  -7.401  -4.364
  175   HH21  ARG  22          1HH2      ARG  22   6.309  -4.321  -5.293
  176   HH22  ARG  22          2HH2      ARG  22   5.456  -5.679  -5.834
  177    H    LEU  23           H        LEU  23   5.269  -5.593   1.380
  178    HA   LEU  23           HA       LEU  23   3.907  -6.524   3.527
  179    HB2  LEU  23          2HB       LEU  23   6.515  -5.028   3.567
  180    HB3  LEU  23          1HB       LEU  23   5.960  -6.133   4.810
  181    HG   LEU  23           HG       LEU  23   6.578  -6.920   1.962
  182   HD11  LEU  23          1HD1      LEU  23   8.203  -7.265   4.473
  183   HD12  LEU  23          2HD1      LEU  23   8.556  -6.142   3.161
  184   HD13  LEU  23          3HD1      LEU  23   8.612  -7.877   2.868
  185   HD21  LEU  23          1HD2      LEU  23   4.949  -8.373   3.097
  186   HD22  LEU  23          2HD2      LEU  23   6.083  -8.585   4.433
  187   HD23  LEU  23          3HD2      LEU  23   6.482  -9.195   2.831
  188    H    TRP  24           H        TRP  24   4.658  -3.227   2.720
  189    HA   TRP  24           HA       TRP  24   2.787  -2.347   4.675
  190    HB2  TRP  24          2HB       TRP  24   4.198  -0.495   5.401
  191    HB3  TRP  24          1HB       TRP  24   5.110  -1.981   5.624
  192    HD1  TRP  24           HD       TRP  24   5.001   1.184   3.678
  193    HE1  TRP  24          1HE       TRP  24   7.228   1.527   2.380
  194    HE3  TRP  24          3HE       TRP  24   7.084  -3.350   4.547
  195    HZ2  TRP  24          2HZ       TRP  24   9.561   0.005   1.824
  196    HZ3  TRP  24          3HZ       TRP  24   9.301  -3.856   3.605
  197    HH2  TRP  24           HH       TRP  24  10.507  -2.206   2.274
  198    H    CYS  25           H        CYS  25   2.027  -0.030   3.871
  199    HA   CYS  25           HA       CYS  25   1.982  -0.115   1.008
  200    HB2  CYS  25          2HB       CYS  25   0.644   1.640   3.028
  201    HB3  CYS  25          1HB       CYS  25   0.624   2.034   1.311
  202    H    LYS  26           H        LYS  26   3.073   1.033  -0.338
  203    HA   LYS  26           HA       LYS  26   4.889   3.057   0.753
  204    HB2  LYS  26          2HB       LYS  26   6.033   0.923   0.523
  205    HB3  LYS  26          1HB       LYS  26   5.491   0.791  -1.137
  206    HG2  LYS  26          2HG       LYS  26   6.838   2.711  -1.739
  207    HG3  LYS  26          1HG       LYS  26   7.355   2.874  -0.060
  208    HD2  LYS  26          2HD       LYS  26   8.342   0.649  -0.132
  209    HD3  LYS  26          1HD       LYS  26   7.793   0.443  -1.790
  210    HE2  LYS  26          2HE       LYS  26   9.218   2.379  -2.436
  211    HE3  LYS  26          1HE       LYS  26   9.820   2.429  -0.780
  212    HZ1  LYS  26          1HZ       LYS  26  11.328   1.160  -2.175
  213    HZ2  LYS  26          2HZ       LYS  26  10.078   0.147  -2.648
  214    HZ3  LYS  26          3HZ       LYS  26  10.585   0.151  -1.055
  215    H    LYS  27           H        LYS  27   4.608   4.894  -0.360
  216    HA   LYS  27           HA       LYS  27   2.946   5.055  -2.643
  217    HB2  LYS  27          2HB       LYS  27   4.880   7.047  -1.499
  218    HB3  LYS  27          1HB       LYS  27   3.824   7.393  -2.845
  219    HG2  LYS  27          2HG       LYS  27   1.858   7.016  -1.464
  220    HG3  LYS  27          1HG       LYS  27   2.882   6.605  -0.091
  221    HD2  LYS  27          2HD       LYS  27   2.054   8.911   0.067
  222    HD3  LYS  27          1HD       LYS  27   3.805   8.869  -0.093
  223    HE2  LYS  27          2HE       LYS  27   2.806  10.640  -1.466
  224    HE3  LYS  27          1HE       LYS  27   3.627   9.447  -2.459
  225    HZ1  LYS  27          1HZ       LYS  27   1.473   8.483  -3.030
  226    HZ2  LYS  27          2HZ       LYS  27   1.471  10.127  -3.357
  227    HZ3  LYS  27          3HZ       LYS  27   0.694   9.560  -1.992
  228    H    LYS  28           H        LYS  28   3.417   5.357  -4.747
  229    HA   LYS  28           HA       LYS  28   6.095   4.444  -5.471
  230    HB2  LYS  28          2HB       LYS  28   3.988   3.116  -6.142
  231    HB3  LYS  28          1HB       LYS  28   3.678   4.435  -7.259
  232    HG2  LYS  28          2HG       LYS  28   5.819   4.022  -8.364
  233    HG3  LYS  28          1HG       LYS  28   6.148   2.710  -7.234
  234    HD2  LYS  28          2HD       LYS  28   5.340   1.690  -9.212
  235    HD3  LYS  28          1HD       LYS  28   4.010   1.634  -8.055
  236    HE2  LYS  28          2HE       LYS  28   3.082   2.277 -10.126
  237    HE3  LYS  28          1HE       LYS  28   3.137   3.740  -9.149
  238    HZ1  LYS  28          1HZ       LYS  28   5.354   4.181 -10.370
  239    HZ2  LYS  28          2HZ       LYS  28   3.926   4.383 -11.208
  240    HZ3  LYS  28          3HZ       LYS  28   4.842   3.000 -11.454
  241    H    LEU  29           H        LEU  29   7.276   6.163  -5.809
  242    HA   LEU  29           HA       LEU  29   6.098   8.503  -7.048
  243    HB2  LEU  29          2HB       LEU  29   8.842   8.043  -5.885
  244    HB3  LEU  29          1HB       LEU  29   8.378   9.530  -6.677
  245    HG   LEU  29           HG       LEU  29   8.289   9.938  -4.370
  246   HD11  LEU  29          1HD1      LEU  29   6.472  10.939  -5.552
  247   HD12  LEU  29          2HD1      LEU  29   5.979  10.509  -3.917
  248   HD13  LEU  29          3HD1      LEU  29   5.463   9.516  -5.277
  249   HD21  LEU  29          1HD2      LEU  29   6.967   8.623  -2.755
  250   HD22  LEU  29          2HD2      LEU  29   8.260   7.678  -3.492
  251   HD23  LEU  29          3HD2      LEU  29   6.593   7.462  -4.030
  252    H    TRP  30           H        TRP  30   8.044   5.819  -7.810
  253    HA   TRP  30           HA       TRP  30   8.629   6.928 -10.448
  254    HB2  TRP  30          2HB       TRP  30  10.429   5.701  -9.075
  255    HB3  TRP  30          1HB       TRP  30   9.474   4.247  -9.306
  256    HD1  TRP  30           HD       TRP  30  11.957   6.490 -11.015
  257    HE1  TRP  30          1HE       TRP  30  12.630   5.496 -13.293
  258    HE3  TRP  30          3HE       TRP  30   8.472   2.763 -11.370
  259    HZ2  TRP  30          2HZ       TRP  30  11.816   3.424 -15.001
  260    HZ3  TRP  30          3HZ       TRP  30   8.494   1.313 -13.357
  261    HH2  TRP  30           HH       TRP  30  10.132   1.642 -15.137