*HEADER    TOXIN                                   11-JAN-16   2NAV              
*TITLE     NMR SOLUTION STRUCTURE OF EX-4[1-16]/PL14A                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EXENDIN-4, ALPHA/KAPPA-CONOTOXIN PL14A CHIMERA;            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HELODERMA SUSPECTUM, CONUS PLANORBIS;           
*SOURCE   4 ORGANISM_COMMON: GILA MONSTER, PLANORBIS CONE;                       
*SOURCE   5 ORGANISM_TAXID: 8554, 97183                                          
*KEYWDS    AGONIST, TOXIN                                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.I.SCHROEDER, J.E.SWEDBERG, D.J.CRAIK                                
*REVDAT   1   04-MAY-16 2NAV    0                                                


! Distance restraints
assign (resid    1 and name HB#  ) (resid    2 and name HN   )    4.40    4.40    0.00
assign (resid   28 and name HN   ) (resid   28 and name HB2  )    3.79    3.79    0.00
assign (resid   28 and name HN   ) (resid   28 and name HB1  )    3.79    3.79    0.00
assign (resid   28 and name HN   ) (resid   28 and name HG2  )    4.89    4.89    0.00
assign (resid    3 and name HN   ) (resid    3 and name HG#  )    4.33    4.33    0.00
assign (resid    3 and name HN   ) (resid    3 and name HB2  )    4.15    4.15    0.00
assign (resid    3 and name HN   ) (resid    3 and name HB1  )    4.15    4.15    0.00
assign (resid   27 and name HN   ) (resid   27 and name HB2  )    4.01    4.01    0.00
assign (resid   27 and name HN   ) (resid   27 and name HB1  )    4.01    4.01    0.00
assign (resid    9 and name HN   ) (resid    9 and name HB#  )    3.11    3.11    0.00
assign (resid    9 and name HA   ) (resid   10 and name HN   )    3.50    3.50    0.00
assign (resid   11 and name HN   ) (resid   11 and name HB#  )    3.05    3.05    0.00
assign (resid    6 and name HN   ) (resid    6 and name HB2  )    3.35    3.35    0.00
assign (resid    6 and name HN   ) (resid    6 and name HB1  )    3.35    3.35    0.00
assign (resid   20 and name HN   ) (resid   20 and name HB#  )    3.36    3.36    0.00
assign (resid    8 and name HN   ) (resid    8 and name HB2  )    3.57    3.57    0.00
assign (resid    8 and name HN   ) (resid    8 and name HB1  )    3.57    3.57    0.00
assign (resid   22 and name HN   ) (resid   22 and name HB1  )    3.88    3.88    0.00
assign (resid    5 and name HN   ) (resid    5 and name HG2# )    3.82    3.82    0.00
assign (resid    5 and name HN   ) (resid    5 and name HB   )    3.81    3.81    0.00
assign (resid    7 and name HN   ) (resid    7 and name HB   )    3.82    3.82    0.00
assign (resid    7 and name HN   ) (resid    7 and name HG2# )    3.83    3.83    0.00
assign (resid   21 and name HN   ) (resid   21 and name HB2  )    3.76    3.76    0.00
assign (resid   16 and name HN   ) (resid   16 and name HB#  )    3.42    3.42    0.00
assign (resid   16 and name HN   ) (resid   16 and name HG1  )    3.96    3.96    0.00
assign (resid   16 and name HN   ) (resid   16 and name HG2  )    3.96    3.96    0.00
assign (resid   15 and name HN   ) (resid   15 and name HG2  )    4.47    4.47    0.00
assign (resid   15 and name HN   ) (resid   15 and name HG1  )    4.47    4.47    0.00
assign (resid   15 and name HN   ) (resid   15 and name HB#  )    3.16    3.16    0.00
assign (resid   18 and name HN   ) (resid   18 and name HB   )    3.60    3.60    0.00
assign (resid   18 and name HN   ) (resid   18 and name HD1# )    3.94    3.94    0.00
assign (resid   12 and name HN   ) (resid   12 and name HB#  )    3.45    3.45    0.00
assign (resid   11 and name HA   ) (resid   11 and name HB#  )    3.00    3.00    0.00
assign (resid   12 and name HA   ) (resid   12 and name HD#  )    3.96    3.96    0.00
assign (resid   12 and name HA   ) (resid   12 and name HB#  )    2.97    2.97    0.00
assign (resid   28 and name HA   ) (resid   28 and name HG2  )    4.25    4.25    0.00
assign (resid    7 and name HA   ) (resid    7 and name HG2# )    3.33    3.33    0.00
assign (resid    5 and name HA   ) (resid    5 and name HG2# )    3.50    3.50    0.00
assign (resid   18 and name HA   ) (resid   18 and name HD1# )    4.01    4.01    0.00
assign (resid   18 and name HB   ) (resid   18 and name HD1# )    2.86    2.86    0.00
assign (resid   12 and name HA   ) (resid   12 and name HG2  )    3.86    3.86    0.00
assign (resid   12 and name HA   ) (resid   12 and name HG1  )    3.86    3.86    0.00
assign (resid    3 and name HA   ) (resid    3 and name HG#  )    3.90    3.90    0.00
assign (resid   15 and name HA   ) (resid   15 and name HG2  )    4.18    4.18    0.00
assign (resid   16 and name HA   ) (resid   16 and name HG2  )    3.95    3.95    0.00
assign (resid   20 and name HA   ) (resid   20 and name HB#  )    2.97    2.97    0.00
assign (resid   22 and name HN   ) (resid   22 and name HD#  )    3.88    3.88    0.00
assign (resid   22 and name HA   ) (resid   22 and name HD#  )    3.23    3.23    0.00
assign (resid   22 and name HA   ) (resid   22 and name HE#  )    4.96    4.96    0.00
assign (resid    5 and name HB   ) (resid    6 and name HN   )    3.61    3.61    0.00
assign (resid    5 and name HG2# ) (resid    6 and name HN   )    4.12    4.12    0.00
assign (resid   20 and name HB#  ) (resid   22 and name HN   )    5.30    5.30    0.00
assign (resid    6 and name HA   ) (resid    7 and name HN   )    3.09    3.09    0.00
assign (resid    7 and name HB   ) (resid    8 and name HN   )    4.20    4.20    0.00
assign (resid    7 and name HG2# ) (resid    8 and name HN   )    3.96    3.96    0.00
assign (resid    4 and name HA#  ) (resid    5 and name HN   )    2.89    2.89    0.00
assign (resid    3 and name HA   ) (resid    4 and name HN   )    3.24    3.24    0.00
assign (resid    2 and name HA#  ) (resid    3 and name HN   )    3.25    3.25    0.00
assign (resid    6 and name HD#  ) (resid    8 and name HA   )    5.12    5.12    0.00
assign (resid    8 and name HA   ) (resid    9 and name HN   )    3.17    3.17    0.00
assign (resid    8 and name HB2  ) (resid    9 and name HN   )    4.54    4.54    0.00
assign (resid    8 and name HB1  ) (resid    9 and name HN   )    4.54    4.54    0.00
assign (resid   11 and name HB#  ) (resid   12 and name HN   )    3.90    3.90    0.00
assign (resid   12 and name HN   ) (resid   12 and name HG2  )    4.73    4.73    0.00
assign (resid   12 and name HN   ) (resid   12 and name HG1  )    4.73    4.73    0.00
assign (resid   12 and name HB#  ) (resid   13 and name HN   )    3.30    3.30    0.00
assign (resid   12 and name HG2  ) (resid   13 and name HN   )    5.48    5.48    0.00
assign (resid   12 and name HG1  ) (resid   13 and name HN   )    5.48    5.48    0.00
assign (resid   12 and name HN   ) (resid   13 and name HN   )    3.52    3.52    0.00
assign (resid   13 and name HB2  ) (resid   14 and name HN   )    4.11    4.11    0.00
assign (resid   13 and name HN   ) (resid   14 and name HN   )    3.74    3.74    0.00
assign (resid   18 and name HN   ) (resid   18 and name HG12 )    3.81    3.81    0.00
assign (resid   18 and name HN   ) (resid   18 and name HG11 )    3.81    3.81    0.00
assign (resid   16 and name HN   ) (resid   17 and name HN   )    5.50    5.50    0.00
assign (resid   17 and name HN   ) (resid   18 and name HN   )    5.50    5.50    0.00
assign (resid   18 and name HN   ) (resid   19 and name HN   )    3.45    3.45    0.00
assign (resid   18 and name HB   ) (resid   19 and name HN   )    3.90    3.90    0.00
assign (resid   18 and name HG12 ) (resid   19 and name HN   )    4.86    4.86    0.00
assign (resid   18 and name HG11 ) (resid   19 and name HN   )    4.86    4.86    0.00
assign (resid   18 and name HD1# ) (resid   19 and name HN   )    4.26    4.26    0.00
assign (resid   19 and name HN   ) (resid   20 and name HN   )    3.75    3.75    0.00
assign (resid   20 and name HA   ) (resid   21 and name HN   )    3.42    3.42    0.00
assign (resid   20 and name HB#  ) (resid   21 and name HN   )    3.91    3.91    0.00
assign (resid   15 and name HB#  ) (resid   16 and name HN   )    3.72    3.72    0.00
assign (resid   16 and name HB#  ) (resid   17 and name HN   )    3.62    3.62    0.00
assign (resid   14 and name HN   ) (resid   14 and name HB1  )    4.19    4.19    0.00
assign (resid   14 and name HN   ) (resid   14 and name HB2  )    4.19    4.19    0.00
assign (resid   14 and name HB1  ) (resid   15 and name HN   )    4.19    4.19    0.00
assign (resid   14 and name HB2  ) (resid   15 and name HN   )    4.19    4.19    0.00
assign (resid   21 and name HA   ) (resid   22 and name HN   )    3.45    3.45    0.00
assign (resid   21 and name HN   ) (resid   22 and name HN   )    3.50    3.50    0.00
assign (resid   27 and name HA   ) (resid   28 and name HN   )    3.02    3.02    0.00
assign (resid   27 and name HB1  ) (resid   28 and name HN   )    4.30    4.30    0.00
assign (resid   27 and name HB2  ) (resid   28 and name HN   )    4.30    4.30    0.00
assign (resid   13 and name HB2  ) (resid   13 and name HE21 )    4.55    4.55    0.00
assign (resid   14 and name HN   ) (resid   15 and name HN   )    3.91    3.91    0.00
assign (resid   25 and name HN   ) (resid   25 and name HB1  )    3.86    3.86    0.00
assign (resid   25 and name HN   ) (resid   25 and name HB2  )    3.86    3.86    0.00
assign (resid   25 and name HA   ) (resid   26 and name HN   )    3.33    3.33    0.00
assign (resid   25 and name HB1  ) (resid   26 and name HN   )    4.75    4.75    0.00
assign (resid   25 and name HB2  ) (resid   26 and name HN   )    4.75    4.75    0.00
assign (resid   21 and name HB2  ) (resid   22 and name HN   )    4.34    4.34    0.00
assign (resid   26 and name HN   ) (resid   27 and name HN   )    5.50    5.50    0.00
assign (resid   28 and name HN   ) (resid   29 and name H1   )    4.53    4.53    0.00
assign (resid    4 and name HN   ) (resid    5 and name HN   )    4.05    4.05    0.00
assign (resid    8 and name HN   ) (resid    9 and name HN   )    4.55    4.55    0.00
assign (resid   11 and name HN   ) (resid   12 and name HN   )    3.61    3.61    0.00
assign (resid    5 and name HN   ) (resid    6 and name HN   )    3.42    3.42    0.00
assign (resid   20 and name HN   ) (resid   22 and name HD#  )    4.69    4.69    0.00
assign (resid    7 and name HN   ) (resid    8 and name HN   )    3.53    3.53    0.00
assign (resid   18 and name HD1# ) (resid   20 and name HN   )    4.61    4.61    0.00
assign (resid   22 and name HA   ) (resid   23 and name HD#  )    2.83    2.83    0.00
assign (resid   22 and name HB1  ) (resid   23 and name HD#  )    4.28    4.28    0.00
assign (resid   15 and name HA   ) (resid   15 and name HG1  )    4.18    4.18    0.00
assign (resid   16 and name HA   ) (resid   16 and name HG1  )    3.95    3.95    0.00
assign (resid   22 and name HN   ) (resid   22 and name HB2  )    3.67    3.67    0.00
assign (resid   23 and name HA   ) (resid   24 and name HD#  )    5.33    5.33    0.00
assign (resid   23 and name HD#  ) (resid   24 and name HD#  )    4.32    4.32    0.00
assign (resid   23 and name HA   ) (resid   25 and name HN   )    4.59    4.59    0.00
assign (resid   24 and name HN   ) (resid   24 and name HB#  )    3.58    3.58    0.00
assign (resid   24 and name HB#  ) (resid   25 and name HN   )    4.06    4.06    0.00
assign (resid   23 and name HD#  ) (resid   24 and name HN   )    4.57    4.57    0.00
assign (resid   22 and name HN   ) (resid   23 and name HD#  )    4.43    4.43    0.00
assign (resid   26 and name HA   ) (resid   26 and name HB#  )    2.88    2.88    0.00
assign (resid   26 and name HN   ) (resid   26 and name HB#  )    3.44    3.44    0.00
assign (resid   28 and name HN   ) (resid   28 and name HD#  )    4.00    4.00    0.00
assign (resid   26 and name HA   ) (resid   27 and name HN   )    3.21    3.21    0.00
assign (resid   20 and name HB#  ) (resid   20 and name HD2  )    3.72    3.72    0.00
assign (resid   26 and name HB#  ) (resid   26 and name HD2  )    3.32    3.32    0.00
assign (resid   13 and name HN   ) (resid   13 and name HB2  )    3.24    3.24    0.00
assign (resid   12 and name HN   ) (resid   12 and name HD#  )    5.46    5.46    0.00
assign (resid    1 and name HA   ) (resid    1 and name HD2  )    5.50    5.50    0.00
assign (resid   24 and name HN   ) (resid   24 and name HD#  )    3.71    3.71    0.00
assign (resid   22 and name HN   ) (resid   23 and name HB1  )    5.39    5.39    0.00
assign (resid   23 and name HG2  ) (resid   24 and name HE#  )    5.50    5.50    0.00
assign (resid   23 and name HG1  ) (resid   24 and name HE#  )    5.50    5.50    0.00
assign (resid   22 and name HB1  ) (resid   24 and name HE#  )    5.15    5.15    0.00
assign (resid   22 and name HB2  ) (resid   24 and name HE#  )    5.50    5.50    0.00
assign (resid   22 and name HB2  ) (resid   24 and name HD#  )    5.50    5.50    0.00
assign (resid   22 and name HB1  ) (resid   24 and name HD#  )    5.27    5.27    0.00
assign (resid   24 and name HA   ) (resid   24 and name HD#  )    3.70    3.70    0.00
assign (resid   22 and name HD#  ) (resid   23 and name HD#  )    3.77    3.77    0.00
assign (resid   21 and name HB2  ) (resid   22 and name HD#  )    4.54    4.54    0.00
assign (resid   20 and name HD2  ) (resid   21 and name HG1  )    5.50    5.50    0.00
assign (resid   18 and name HD1# ) (resid   22 and name HD#  )    4.54    4.54    0.00
assign (resid   18 and name HD1# ) (resid   22 and name HE#  )    3.75    3.75    0.00
assign (resid   20 and name HD2  ) (resid   21 and name HG2  )    5.50    5.50    0.00
assign (resid   18 and name HG11 ) (resid   22 and name HE#  )    4.55    4.55    0.00
assign (resid   18 and name HG12 ) (resid   22 and name HE#  )    4.55    4.55    0.00
assign (resid   18 and name HB   ) (resid   22 and name HD#  )    4.74    4.74    0.00
assign (resid   18 and name HB   ) (resid   22 and name HE#  )    4.88    4.88    0.00
assign (resid   20 and name HB#  ) (resid   22 and name HE#  )    4.02    4.02    0.00
assign (resid   24 and name HA   ) (resid   24 and name HE#  )    5.50    5.50    0.00
assign (resid    6 and name HA   ) (resid    6 and name HD#  )    3.57    3.57    0.00
assign (resid    6 and name HA   ) (resid    6 and name HE#  )    4.64    4.64    0.00
assign (resid    8 and name HN   ) (resid    9 and name HB#  )    4.98    4.98    0.00
assign (resid    9 and name HB#  ) (resid   13 and name HN   )    4.94    4.94    0.00
assign (resid   11 and name HN   ) (resid   12 and name HB#  )    4.72    4.72    0.00
assign (resid    9 and name HN   ) (resid   12 and name HB#  )    4.27    4.27    0.00
assign (resid   10 and name HN   ) (resid   13 and name HB2  )    5.50    5.50    0.00
assign (resid   11 and name HN   ) (resid   13 and name HB2  )    5.50    5.50    0.00
assign (resid   13 and name HN   ) (resid   13 and name HB1  )    3.71    3.71    0.00
assign (resid   28 and name HG2  ) (resid   29 and name H2   )    5.10    5.10    0.00
assign (resid   28 and name HG2  ) (resid   29 and name H1   )    5.50    5.50    0.00
assign (resid   21 and name HB2  ) (resid   22 and name HE#  )    4.15    4.15    0.00
assign (resid    6 and name HD#  ) (resid    7 and name HG2# )    4.85    4.85    0.00
assign (resid    6 and name HE#  ) (resid    7 and name HG2# )    5.50    5.50    0.00
assign (resid    5 and name HG2# ) (resid    6 and name HE#  )    5.49    5.49    0.00
assign (resid    5 and name HG2# ) (resid    6 and name HD#  )    5.42    5.42    0.00
assign (resid    7 and name HG2# ) (resid    9 and name HN   )    4.89    4.89    0.00
assign (resid   21 and name HA   ) (resid   22 and name HD#  )    4.81    4.81    0.00
assign (resid   21 and name HA   ) (resid   22 and name HE#  )    5.50    5.50    0.00
assign (resid   19 and name HA1  ) (resid   22 and name HD#  )    4.89    4.89    0.00
assign (resid   19 and name HA1  ) (resid   22 and name HE#  )    5.50    5.50    0.00
assign (resid   22 and name HE#  ) (resid   23 and name HD#  )    5.50    5.50    0.00
assign (resid    5 and name HB   ) (resid    6 and name HD#  )    5.39    5.39    0.00
assign (resid   19 and name HA2  ) (resid   22 and name HD#  )    4.89    4.89    0.00
assign (resid   12 and name HB#  ) (resid   13 and name HA   )    4.00    4.00    0.00
assign (resid   22 and name HB2  ) (resid   23 and name HD#  )    4.45    4.45    0.00
assign (resid   22 and name HB1  ) (resid   25 and name HN   )    5.38    5.38    0.00
assign (resid   22 and name HB2  ) (resid   25 and name HN   )    5.05    5.05    0.00
assign (resid   19 and name HA2  ) (resid   22 and name HE#  )    5.50    5.50    0.00
assign (resid    6 and name HD#  ) (resid    9 and name HB#  )    5.50    5.50    0.00
assign (resid   13 and name HB1  ) (resid   22 and name HD#  )    4.11    4.11    0.00
assign (resid   13 and name HB1  ) (resid   22 and name HE#  )    4.49    4.49    0.00
assign (resid   20 and name HA   ) (resid   20 and name HD2  )    4.56    4.56    0.00
assign (resid   20 and name HA   ) (resid   22 and name HE#  )    5.50    5.50    0.00
assign (resid   18 and name HA   ) (resid   22 and name HD#  )    5.50    5.50    0.00
assign (resid   18 and name HA   ) (resid   22 and name HE#  )    5.25    5.25    0.00
assign (resid   13 and name HB1  ) (resid   14 and name HN   )    4.20    4.20    0.00
assign (resid   12 and name HB#  ) (resid   14 and name HN   )    4.92    4.92    0.00
assign (resid    9 and name HN   ) (resid   12 and name HD#  )    5.15    5.15    0.00
assign (resid    9 and name HB#  ) (resid   11 and name HN   )    4.42    4.42    0.00
assign (resid   10 and name HB2  ) (resid   11 and name HN   )    4.13    4.13    0.00
assign (resid    3 and name HG#  ) (resid    4 and name HN   )    4.78    4.78    0.00
assign (resid   23 and name HB1  ) (resid   24 and name HD#  )    5.12    5.12    0.00
assign (resid   11 and name HN   ) (resid   13 and name HN   )    5.50    5.50    0.00
assign (resid   27 and name HN   ) (resid   28 and name HN   )    4.80    4.80    0.00
assign (resid   13 and name HN   ) (resid   22 and name HD#  )    5.50    5.50    0.00
assign (resid    6 and name HN   ) (resid    6 and name HD#  )    4.52    4.52    0.00
assign (resid    6 and name HD#  ) (resid    7 and name HN   )    4.53    4.53    0.00
assign (resid   20 and name HD2  ) (resid   21 and name HN   )    5.26    5.26    0.00
assign (resid   21 and name HN   ) (resid   22 and name HD#  )    5.50    5.50    0.00
assign (resid   12 and name HA   ) (resid   15 and name HB#  )    3.58    3.58    0.00
assign (resid    8 and name HA   ) (resid    9 and name HB#  )    5.08    5.08    0.00
assign (resid    9 and name HB#  ) (resid   11 and name HA   )    5.50    5.50    0.00
assign (resid    9 and name HB#  ) (resid   12 and name HA   )    5.50    5.50    0.00
assign (resid   22 and name HB2  ) (resid   25 and name HB1  )    4.39    4.39    0.00
assign (resid   22 and name HB2  ) (resid   25 and name HB2  )    4.39    4.39    0.00
assign (resid   10 and name HA   ) (resid   13 and name HB2  )    3.61    3.61    0.00
assign (resid   22 and name HA   ) (resid   23 and name HG1  )    4.93    4.93    0.00
assign (resid   22 and name HA   ) (resid   23 and name HG2  )    4.93    4.93    0.00
assign (resid   13 and name HA   ) (resid   18 and name HD1# )    3.75    3.75    0.00
assign (resid    5 and name HA   ) (resid    6 and name HA   )    5.39    5.39    0.00
assign (resid   20 and name HA   ) (resid   21 and name HA   )    5.50    5.50    0.00
assign (resid   13 and name HA   ) (resid   14 and name HA   )    4.85    4.85    0.00
assign (resid    6 and name HA   ) (resid    7 and name HA   )    4.69    4.69    0.00
assign (resid    9 and name HA   ) (resid   12 and name HB#  )    4.99    4.99    0.00
assign (resid    9 and name HA   ) (resid   12 and name HD#  )    5.50    5.50    0.00
assign (resid   20 and name HA   ) (resid   21 and name HB2  )    4.90    4.90    0.00
assign (resid   23 and name HB1  ) (resid   24 and name HE#  )    5.50    5.50    0.00
assign (resid   12 and name HA   ) (resid   15 and name HN   )    4.12    4.12    0.00
assign (resid    6 and name HA   ) (resid    8 and name HN   )    4.47    4.47    0.00
assign (resid   10 and name HN   ) (resid   10 and name HB1  )    3.52    3.52    0.00
assign (resid   10 and name HA   ) (resid   13 and name HN   )    4.01    4.01    0.00
assign (resid   25 and name HA   ) (resid   26 and name HB#  )    4.70    4.70    0.00
assign (resid   10 and name HA   ) (resid   13 and name HB1  )    4.62    4.62    0.00
assign (resid   12 and name HE#  ) (resid   13 and name HN   )    5.50    5.50    0.00
assign (resid   25 and name HA   ) (resid   27 and name HN   )    5.43    5.43    0.00
assign (resid   26 and name HB#  ) (resid   27 and name HN   )    3.96    3.96    0.00
assign (resid   27 and name HB1  ) (resid   29 and name H1   )    5.50    5.50    0.00
assign (resid   27 and name HB2  ) (resid   29 and name H1   )    5.50    5.50    0.00
assign (resid   12 and name HB#  ) (resid   15 and name HN   )    5.22    5.22    0.00
assign (resid   13 and name HB1  ) (resid   13 and name HE21 )    5.45    5.45    0.00
assign (resid   13 and name HA   ) (resid   13 and name HE22 )    5.50    5.50    0.00
assign (resid   13 and name HA   ) (resid   13 and name HE21 )    5.45    5.45    0.00
assign (resid    9 and name HB#  ) (resid   13 and name HE22 )    5.50    5.50    0.00
assign (resid   13 and name HB2  ) (resid   22 and name HD#  )    4.30    4.30    0.00
assign (resid   13 and name HB2  ) (resid   22 and name HE#  )    4.90    4.90    0.00
assign (resid   21 and name HB1  ) (resid   22 and name HN   )    4.52    4.52    0.00
assign (resid   21 and name HB1  ) (resid   22 and name HD#  )    4.45    4.45    0.00
assign (resid   21 and name HB1  ) (resid   22 and name HE#  )    4.43    4.43    0.00
assign (resid   23 and name HB2  ) (resid   24 and name HE#  )    5.38    5.38    0.00
assign (resid   23 and name HB2  ) (resid   24 and name HD#  )    4.99    4.99    0.00
assign (resid   23 and name HD#  ) (resid   24 and name HE#  )    4.70    4.70    0.00
assign (resid    6 and name HE#  ) (resid    8 and name HA   )    5.19    5.19    0.00
assign (resid   13 and name HA   ) (resid   15 and name HN   )    5.04    5.04    0.00
assign (resid   28 and name HN   ) (resid   28 and name HG1  )    4.89    4.89    0.00
assign (resid   28 and name HG1  ) (resid   29 and name H1   )    5.50    5.50    0.00
assign (resid   28 and name HG1  ) (resid   29 and name H2   )    5.10    5.10    0.00
assign (resid   28 and name HA   ) (resid   28 and name HG1  )    4.25    4.25    0.00
assign (resid   10 and name HN   ) (resid   10 and name HB2  )    3.52    3.52    0.00
assign (resid   10 and name HB1  ) (resid   11 and name HN   )    4.13    4.13    0.00
assign (resid   26 and name HA   ) (resid   26 and name HD2  )    4.18    4.18    0.00
assign (resid   24 and name HA   ) (resid   24 and name HB#  )    2.98    2.98    0.00
assign (resid   28 and name HB2  ) (resid   28 and name HD#  )    3.95    3.95    0.00
assign (resid   28 and name HB1  ) (resid   28 and name HD#  )    3.95    3.95    0.00
assign (resid   28 and name HA   ) (resid   28 and name HD#  )    4.67    4.67    0.00
assign (resid   12 and name HA   ) (resid   12 and name HE#  )    4.61    4.61    0.00
assign (resid   12 and name HB#  ) (resid   12 and name HE#  )    3.98    3.98    0.00
assign (resid   12 and name HB#  ) (resid   12 and name HD#  )    2.65    2.65    0.00
assign (resid   21 and name HB2  ) (resid   21 and name HE#  )    5.50    5.50    0.00
assign (resid   21 and name HB1  ) (resid   21 and name HE#  )    5.50    5.50    0.00
assign (resid   21 and name HA   ) (resid   21 and name HE#  )    5.50    5.50    0.00
assign (resid   16 and name HB#  ) (resid   18 and name HG12 )    4.07    4.07    0.00
assign (resid   16 and name HB#  ) (resid   18 and name HG11 )    4.07    4.07    0.00
assign (resid   13 and name HA   ) (resid   22 and name HD#  )    5.10    5.10    0.00
assign (resid   13 and name HA   ) (resid   22 and name HE#  )    5.21    5.21    0.00
assign (resid   25 and name HN   ) (resid   26 and name HN   )    5.00    5.00    0.00
assign (resid   26 and name HN   ) (resid   26 and name HD2  )    5.21    5.21    0.00
assign (resid    3 and name HN   ) (resid    3 and name HB#  )    3.48    3.48    0.00
assign (resid    3 and name HB#  ) (resid    4 and name HN   )    3.98    3.98    0.00
assign (resid    6 and name HN   ) (resid    6 and name HB#  )    2.90    2.90    0.00
assign (resid    6 and name HB#  ) (resid    7 and name HN   )    3.79    3.79    0.00
assign (resid    6 and name HD#  ) (resid    8 and name HB#  )    4.54    4.54    0.00
assign (resid    6 and name HE#  ) (resid    8 and name HB#  )    4.18    4.18    0.00
assign (resid    8 and name HB#  ) (resid    9 and name HN   )    3.93    3.93    0.00
assign (resid    8 and name HB#  ) (resid    9 and name HB#  )    5.34    5.34    0.00
assign (resid   10 and name HN   ) (resid   10 and name HB#  )    2.98    2.98    0.00
assign (resid   10 and name HN   ) (resid   13 and name HG#  )    4.68    4.68    0.00
assign (resid   10 and name HA   ) (resid   13 and name HG#  )    3.92    3.92    0.00
assign (resid   10 and name HB#  ) (resid   11 and name HN   )    3.43    3.43    0.00
assign (resid   10 and name HB#  ) (resid   13 and name HN   )    5.34    5.34    0.00
assign (resid   12 and name HN   ) (resid   12 and name HG#  )    4.11    4.11    0.00
assign (resid   12 and name HA   ) (resid   15 and name HG#  )    3.95    3.95    0.00
assign (resid   12 and name HG#  ) (resid   13 and name HN   )    4.72    4.72    0.00
assign (resid   13 and name HN   ) (resid   13 and name HG#  )    3.39    3.39    0.00
assign (resid   13 and name HN   ) (resid   14 and name HB#  )    5.34    5.34    0.00
assign (resid   13 and name HA   ) (resid   13 and name HG#  )    3.51    3.51    0.00
assign (resid   13 and name HA   ) (resid   16 and name HG#  )    4.56    4.56    0.00
assign (resid   13 and name HA   ) (resid   18 and name HG1# )    4.05    4.05    0.00
assign (resid   13 and name HG#  ) (resid   14 and name HN   )    4.92    4.92    0.00
assign (resid   13 and name HG#  ) (resid   22 and name HD#  )    4.30    4.30    0.00
assign (resid   13 and name HG#  ) (resid   22 and name HE#  )    4.45    4.45    0.00
assign (resid   14 and name HN   ) (resid   14 and name HB#  )    3.40    3.40    0.00
assign (resid   14 and name HB#  ) (resid   15 and name HN   )    3.55    3.55    0.00
assign (resid   15 and name HN   ) (resid   15 and name HG#  )    3.93    3.93    0.00
assign (resid   15 and name HA   ) (resid   15 and name HG#  )    3.61    3.61    0.00
assign (resid   16 and name HN   ) (resid   16 and name HG#  )    3.43    3.43    0.00
assign (resid   16 and name HB#  ) (resid   18 and name HG1# )    3.43    3.43    0.00
assign (resid   18 and name HN   ) (resid   18 and name HG1# )    3.28    3.28    0.00
assign (resid   18 and name HA   ) (resid   18 and name HG1# )    3.70    3.70    0.00
assign (resid   18 and name HG1# ) (resid   19 and name HN   )    4.25    4.25    0.00
assign (resid   18 and name HG1# ) (resid   22 and name HD#  )    5.33    5.33    0.00
assign (resid   18 and name HG1# ) (resid   22 and name HE#  )    3.95    3.95    0.00
assign (resid   19 and name HA#  ) (resid   20 and name HN   )    3.10    3.10    0.00
assign (resid   19 and name HA#  ) (resid   20 and name HA   )    5.20    5.20    0.00
assign (resid   19 and name HA#  ) (resid   22 and name HD#  )    4.04    4.04    0.00
assign (resid   20 and name HD2  ) (resid   21 and name HG#  )    4.72    4.72    0.00
assign (resid   21 and name HN   ) (resid   21 and name HG#  )    3.82    3.82    0.00
assign (resid   21 and name HA   ) (resid   21 and name HG#  )    3.70    3.70    0.00
assign (resid   21 and name HG#  ) (resid   22 and name HN   )    5.00    5.00    0.00
assign (resid   21 and name HG#  ) (resid   22 and name HD#  )    5.34    5.34    0.00
assign (resid   21 and name HG#  ) (resid   22 and name HE#  )    5.34    5.34    0.00
assign (resid   22 and name HN   ) (resid   23 and name HG#  )    5.35    5.35    0.00
assign (resid   22 and name HA   ) (resid   23 and name HG#  )    4.23    4.23    0.00
assign (resid   22 and name HB2  ) (resid   25 and name HB#  )    3.77    3.77    0.00
assign (resid   22 and name HB1  ) (resid   25 and name HB#  )    4.72    4.72    0.00
assign (resid   22 and name HD#  ) (resid   25 and name HB#  )    4.33    4.33    0.00
assign (resid   23 and name HG#  ) (resid   24 and name HN   )    4.50    4.50    0.00
assign (resid   23 and name HG#  ) (resid   24 and name HD#  )    4.44    4.44    0.00
assign (resid   23 and name HG#  ) (resid   24 and name HE#  )    4.80    4.80    0.00
assign (resid   25 and name HN   ) (resid   25 and name HB#  )    3.33    3.33    0.00
assign (resid   25 and name HB#  ) (resid   26 and name HN   )    4.18    4.18    0.00
assign (resid   25 and name HB#  ) (resid   27 and name HN   )    5.34    5.34    0.00
assign (resid   27 and name HN   ) (resid   27 and name HB#  )    3.19    3.19    0.00
assign (resid   27 and name HB#  ) (resid   28 and name HN   )    3.69    3.69    0.00
assign (resid   27 and name HB#  ) (resid   29 and name H2   )    5.34    5.34    0.00
assign (resid   28 and name HN   ) (resid   28 and name HB#  )    3.31    3.31    0.00
assign (resid   28 and name HN   ) (resid   28 and name HG#  )    4.29    4.29    0.00
assign (resid   28 and name HA   ) (resid   28 and name HG#  )    3.61    3.61    0.00
assign (resid   28 and name HB#  ) (resid   28 and name H1   )    4.08    4.08    0.00
assign (resid   28 and name HB#  ) (resid   28 and name H2   )    4.23    4.23    0.00
!Dihedrals restraints
!Phi and Psi angles
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -67.3   20.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -36.3   20.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -65.4   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  -40.0   20.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -67.9   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -38.6   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  -65.3   20.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -39.4   20.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -66.7   20.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -28.9   20.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -77.5   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  -11.8   21.7 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0   91.0   20.4 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0    9.9   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  -86.9   44.6 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  141.9   38.3 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0  -96.0   65.4 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  114.4   57.6 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  -24.2   20.0 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0   -1.3   26.5 2
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0  -83.2   52.7 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  127.5   73.9 2
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0  -77.3   30.0 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  131.1   30.0 2
!Chi1 angles
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name CB   ) (resid   10 and name SG   )    1.0 -180.0   30.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name SG   )    1.0  -60.0   30.0 2
assign (resid   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   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name CB   ) (resid   27 and name SG   )    1.0  -60.0   30.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name CB   ) (resid   22 and name CG   )    1.0  -60.0   30.0 2
!H-bonds restraints
assign (resid    9 and name O    ) (resid   12 and name HN   )    2.30    2.30    0.00
assign (resid    9 and name O    ) (resid   12 and name N    )    3.30    3.30    0.00
assign (resid    9 and name O    ) (resid   13 and name HN   )    2.30    2.30    0.00
assign (resid    9 and name O    ) (resid   13 and name N    )    3.30    3.30    0.00
assign (resid   10 and name O    ) (resid   14 and name HN   )    2.30    2.30    0.00
assign (resid   10 and name O    ) (resid   14 and name N    )    3.30    3.30    0.00
assign (resid   11 and name O    ) (resid   15 and name HN   )    2.30    2.30    0.00
assign (resid   11 and name O    ) (resid   15 and name N    )    3.30    3.30    0.00
assign (resid   12 and name O    ) (resid   16 and name HN   )    2.30    2.30    0.00
assign (resid   12 and name O    ) (resid   16 and name N    )    3.30    3.30    0.00
assign (resid   13 and name O    ) (resid   17 and name HN   )    2.30    2.30    0.00
assign (resid   13 and name O    ) (resid   17 and name N    )    3.30    3.30    0.00
assign (resid   22 and name O    ) (resid   25 and name HN   )    2.30    2.30    0.00
assign (resid   22 and name O    ) (resid   25 and name N    )    3.30    3.30    0.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   HIS   1           1HT      HIS   1  10.560  -4.335   8.033
    2    H2   HIS   1           2HT      HIS   1  10.255  -3.117   6.934
    3    H3   HIS   1           3HT      HIS   1  11.582  -2.988   7.976
    4    HA   HIS   1           HA       HIS   1  12.258  -3.605   5.749
    5    HB2  HIS   1           2HB      HIS   1  13.563  -4.510   7.666
    6    HB3  HIS   1           1HB      HIS   1  12.485  -5.895   7.750
    7    HD1  HIS   1           1HD      HIS   1  12.833  -7.777   5.932
    8    HD2  HIS   1           2HD      HIS   1  15.499  -4.595   5.642
    9    HE1  HIS   1           1HE      HIS   1  14.626  -8.538   4.369
   10    H    GLY   2           H        GLY   2  12.099  -5.138   3.996
   11    HA2  GLY   2           2HA      GLY   2  10.662  -7.425   3.880
   12    HA3  GLY   2           1HA      GLY   2   9.470  -6.150   3.655
   13    H    GLU   3           H        GLU   3   9.017  -5.939   1.603
   14    HA   GLU   3           HA       GLU   3  11.008  -5.405  -0.373
   15    HB2  GLU   3           2HB      GLU   3  10.351  -7.317  -1.832
   16    HB3  GLU   3           1HB      GLU   3  11.122  -7.854  -0.344
   17    HG2  GLU   3           2HG      GLU   3   8.810  -8.140   0.595
   18    HG3  GLU   3           1HG      GLU   3   8.212  -7.911  -1.041
   19    H    GLY   4           H        GLY   4   9.542  -5.451  -2.642
   20    HA2  GLY   4           2HA      GLY   4   7.422  -3.562  -1.983
   21    HA3  GLY   4           1HA      GLY   4   8.124  -3.839  -3.567
   22    H    THR   5           H        THR   5   6.418  -5.874  -1.187
   23    HA   THR   5           HA       THR   5   5.068  -7.296  -3.290
   24    HB   THR   5           HB       THR   5   4.592  -7.409  -0.307
   25    HG1  THR   5           1HG      THR   5   6.287  -8.899  -2.021
   26   HG21  THR   5          3HG2      THR   5   3.648  -9.639  -0.780
   27   HG22  THR   5          1HG2      THR   5   3.901  -9.381  -2.507
   28   HG23  THR   5          2HG2      THR   5   2.752  -8.378  -1.624
   29    H    PHE   6           H        PHE   6   3.881  -5.356  -0.514
   30    HA   PHE   6           HA       PHE   6   1.491  -4.867  -2.113
   31    HB2  PHE   6           2HB      PHE   6   1.303  -6.524  -0.158
   32    HB3  PHE   6           1HB      PHE   6   1.532  -5.126   0.882
   33    HD1  PHE   6           1HD      PHE   6  -0.680  -6.752  -1.530
   34    HD2  PHE   6           2HD      PHE   6  -0.248  -3.526   1.210
   35    HE1  PHE   6           1HE      PHE   6  -3.074  -6.344  -1.652
   36    HE2  PHE   6           2HE      PHE   6  -2.662  -3.106   1.090
   37    HZ   PHE   6           HZ       PHE   6  -4.090  -4.517  -0.344
   38    H    THR   7           H        THR   7   1.471  -2.839  -2.579
   39    HA   THR   7           HA       THR   7   2.763  -0.924  -0.806
   40    HB   THR   7           HB       THR   7   3.562  -0.981  -3.129
   41    HG1  THR   7           1HG      THR   7   2.910   1.294  -3.663
   42   HG21  THR   7          3HG2      THR   7   0.742  -0.200  -3.887
   43   HG22  THR   7          1HG2      THR   7   1.538  -1.728  -4.260
   44   HG23  THR   7          2HG2      THR   7   2.119  -0.234  -4.991
   45    H    SER   8           H        SER   8  -0.296  -2.027  -1.790
   46    HA   SER   8           HA       SER   8  -1.767   0.392  -1.850
   47    HB2  SER   8           2HB      SER   8  -2.782  -2.409  -1.457
   48    HB3  SER   8           1HB      SER   8  -3.705  -1.018  -2.031
   49    HG   SER   8           HG       SER   8  -2.167  -0.893  -3.764
   50    H    ASP   9           H        ASP   9  -0.344  -0.598   0.814
   51    HA   ASP   9           HA       ASP   9  -2.425  -0.637   2.756
   52    HB2  ASP   9           2HB      ASP   9   0.517  -0.082   2.941
   53    HB3  ASP   9           1HB      ASP   9  -0.523   0.077   4.353
   54    H    CYS  10           H        CYS  10  -3.539   0.970   3.584
   55    HA   CYS  10           HA       CYS  10  -3.578   3.474   2.341
   56    HB2  CYS  10           2HB      CYS  10  -5.526   2.404   3.438
   57    HB3  CYS  10           1HB      CYS  10  -4.777   2.701   5.001
   58    H    SER  11           H        SER  11  -2.314   2.458   5.501
   59    HA   SER  11           HA       SER  11  -1.552   4.978   6.407
   60    HB2  SER  11           2HB      SER  11  -0.073   3.595   7.927
   61    HB3  SER  11           1HB      SER  11  -1.781   3.148   7.939
   62    HG   SER  11           HG       SER  11   0.240   1.582   7.472
   63    H    LYS  12           H        LYS  12  -0.091   2.641   4.336
   64    HA   LYS  12           HA       LYS  12   2.566   3.682   4.408
   65    HB2  LYS  12           2HB      LYS  12   1.880   1.279   3.982
   66    HB3  LYS  12           1HB      LYS  12   1.249   1.854   2.444
   67    HG2  LYS  12           2HG      LYS  12   4.099   2.358   2.997
   68    HG3  LYS  12           1HG      LYS  12   3.620   0.692   2.670
   69    HD2  LYS  12           2HD      LYS  12   2.563   1.464   0.596
   70    HD3  LYS  12           1HD      LYS  12   3.142   3.098   0.927
   71    HE2  LYS  12           2HE      LYS  12   5.437   2.303   0.909
   72    HE3  LYS  12           1HE      LYS  12   4.876   0.658   0.610
   73    HZ1  LYS  12           3HZ      LYS  12   3.984   1.396  -1.532
   74    HZ2  LYS  12           1HZ      LYS  12   5.618   1.755  -1.419
   75    HZ3  LYS  12           2HZ      LYS  12   4.467   2.967  -1.220
   76    H    GLN  13           H        GLN  13  -0.270   3.960   2.248
   77    HA   GLN  13           HA       GLN  13   1.071   5.441   0.320
   78    HB2  GLN  13           2HB      GLN  13  -1.876   5.250   0.951
   79    HB3  GLN  13           1HB      GLN  13  -1.234   6.066  -0.467
   80    HG2  GLN  13           2HG      GLN  13  -1.001   3.134   0.194
   81    HG3  GLN  13           1HG      GLN  13  -1.963   3.864  -1.092
   82   HE21  GLN  13          1HE2      GLN  13   1.158   3.038  -0.032
   83   HE22  GLN  13          2HE2      GLN  13   2.011   3.267  -1.508
   84    H    CYS  14           H        CYS  14  -0.682   6.290   3.221
   85    HA   CYS  14           HA       CYS  14  -0.548   9.078   2.801
   86    HB2  CYS  14           2HB      CYS  14  -0.921   7.491   5.337
   87    HB3  CYS  14           1HB      CYS  14  -1.093   9.241   5.217
   88    H    GLU  15           H        GLU  15   1.632   6.754   4.379
   89    HA   GLU  15           HA       GLU  15   3.345   8.790   5.323
   90    HB2  GLU  15           2HB      GLU  15   3.896   5.857   4.858
   91    HB3  GLU  15           1HB      GLU  15   5.052   6.970   5.577
   92    HG2  GLU  15           2HG      GLU  15   2.382   6.144   6.688
   93    HG3  GLU  15           1HG      GLU  15   3.980   5.784   7.341
   94    H    GLU  16           H        GLU  16   3.102   7.151   2.259
   95    HA   GLU  16           HA       GLU  16   5.500   8.287   1.220
   96    HB2  GLU  16           2HB      GLU  16   3.059   7.219  -0.194
   97    HB3  GLU  16           1HB      GLU  16   4.475   7.805  -1.047
   98    HG2  GLU  16           2HG      GLU  16   5.790   6.093   0.280
   99    HG3  GLU  16           1HG      GLU  16   4.231   5.420   0.750
  100    H    GLY  17           H        GLY  17   2.304   9.421   1.696
  101    HA2  GLY  17           2HA      GLY  17   1.873  11.725   1.907
  102    HA3  GLY  17           1HA      GLY  17   3.210  12.048   0.815
  103    H    ILE  18           H        ILE  18   0.811   9.621   0.038
  104    HA   ILE  18           HA       ILE  18  -0.178  11.531  -1.877
  105    HB   ILE  18           HB       ILE  18  -1.026   9.441  -3.118
  106   HG12  ILE  18          2HG1      ILE  18   1.338   8.341  -1.591
  107   HG13  ILE  18          1HG1      ILE  18  -0.310   7.728  -1.574
  108   HG21  ILE  18          1HG2      ILE  18   0.441  11.104  -4.069
  109   HG22  ILE  18          2HG2      ILE  18   1.025   9.497  -4.503
  110   HG23  ILE  18          3HG2      ILE  18   1.825  10.407  -3.223
  111   HD11  ILE  18          3HD1      ILE  18   1.102   6.312  -2.924
  112   HD12  ILE  18          1HD1      ILE  18   1.587   7.717  -3.886
  113   HD13  ILE  18          2HD1      ILE  18  -0.080   7.155  -3.945
  114    H    GLY  19           H        GLY  19  -1.775   8.587  -0.765
  115    HA2  GLY  19           2HA      GLY  19  -3.929   8.417   0.139
  116    HA3  GLY  19           1HA      GLY  19  -3.796  10.119   0.549
  117    H    HIS  20           H        HIS  20  -3.227   9.284  -2.669
  118    HA   HIS  20           HA       HIS  20  -5.694  10.583  -3.585
  119    HB2  HIS  20           2HB      HIS  20  -3.541  11.664  -4.132
  120    HB3  HIS  20           1HB      HIS  20  -2.989  10.146  -4.826
  121    HD1  HIS  20           1HD      HIS  20  -2.955  10.358  -7.325
  122    HD2  HIS  20           2HD      HIS  20  -6.168  12.383  -5.640
  123    HE1  HIS  20           1HE      HIS  20  -4.205  11.362  -9.235
  124    H    LYS  21           H        LYS  21  -7.040   9.359  -4.899
  125    HA   LYS  21           HA       LYS  21  -7.932   7.554  -6.020
  126    HB2  LYS  21           2HB      LYS  21  -5.107   6.455  -6.120
  127    HB3  LYS  21           1HB      LYS  21  -6.483   5.798  -6.985
  128    HG2  LYS  21           2HG      LYS  21  -6.605   7.728  -8.384
  129    HG3  LYS  21           1HG      LYS  21  -5.390   8.567  -7.414
  130    HD2  LYS  21           2HD      LYS  21  -3.743   6.846  -8.034
  131    HD3  LYS  21           1HD      LYS  21  -4.964   6.060  -9.037
  132    HE2  LYS  21           2HE      LYS  21  -5.117   7.998 -10.444
  133    HE3  LYS  21           1HE      LYS  21  -4.028   8.897  -9.392
  134    HZ1  LYS  21           3HZ      LYS  21  -2.885   8.078 -11.331
  135    HZ2  LYS  21           1HZ      LYS  21  -3.297   6.483 -10.980
  136    HZ3  LYS  21           2HZ      LYS  21  -2.268   7.325  -9.955
  137    H    TYR  22           H        TYR  22  -7.154   7.739  -3.110
  138    HA   TYR  22           HA       TYR  22  -7.708   4.949  -2.452
  139    HB2  TYR  22           2HB      TYR  22  -5.916   6.772  -0.798
  140    HB3  TYR  22           1HB      TYR  22  -6.190   5.050  -0.545
  141    HD1  TYR  22           1HD      TYR  22  -5.855   3.939  -3.206
  142    HD2  TYR  22           2HD      TYR  22  -3.566   7.036  -1.323
  143    HE1  TYR  22           1HE      TYR  22  -3.987   3.462  -4.669
  144    HE2  TYR  22           2HE      TYR  22  -1.746   6.575  -2.805
  145    HH   TYR  22           HH       TYR  22  -0.919   4.575  -4.050
  146    HA   PRO  23           HA       PRO  23 -11.045   7.718  -1.095
  147    HB2  PRO  23           2HB      PRO  23 -12.971   5.794  -0.967
  148    HB3  PRO  23           1HB      PRO  23 -12.396   6.535  -2.474
  149    HG2  PRO  23           2HG      PRO  23 -11.569   3.931  -1.272
  150    HG3  PRO  23           1HG      PRO  23 -12.059   4.293  -2.940
  151    HD2  PRO  23           2HD      PRO  23  -9.504   4.094  -2.224
  152    HD3  PRO  23           1HD      PRO  23 -10.027   5.263  -3.453
  153    H    PHE  24           H        PHE  24  -9.614   5.158   0.470
  154    HA   PHE  24           HA       PHE  24 -11.073   5.595   2.951
  155    HB2  PHE  24           2HB      PHE  24  -9.664   3.473   3.604
  156    HB3  PHE  24           1HB      PHE  24 -11.099   3.305   2.599
  157    HD1  PHE  24           2HD      PHE  24  -7.420   3.256   2.614
  158    HD2  PHE  24           1HD      PHE  24 -10.947   2.693   0.319
  159    HE1  PHE  24           2HE      PHE  24  -6.089   2.220   0.825
  160    HE2  PHE  24           1HE      PHE  24  -9.657   1.687  -1.468
  161    HZ   PHE  24           HZ       PHE  24  -7.193   1.429  -1.224
  162    H    CYS  25           H        CYS  25  -8.603   7.051   1.545
  163    HA   CYS  25           HA       CYS  25  -7.022   7.116   4.016
  164    HB2  CYS  25           2HB      CYS  25  -5.987   7.480   1.211
  165    HB3  CYS  25           1HB      CYS  25  -5.037   7.604   2.683
  166    H    HIS  26           H        HIS  26  -8.047   8.885   4.888
  167    HA   HIS  26           HA       HIS  26  -7.516  11.404   3.500
  168    HB2  HIS  26           2HB      HIS  26  -9.375  10.799   5.831
  169    HB3  HIS  26           1HB      HIS  26  -9.033  12.418   5.237
  170    HD1  HIS  26           1HD      HIS  26 -10.375  13.222   3.204
  171    HD2  HIS  26           2HD      HIS  26 -10.904   9.186   4.068
  172    HE1  HIS  26           1HE      HIS  26 -12.294  12.459   1.771
  173    H    CYS  27           H        CYS  27  -5.539  12.016   4.011
  174    HA   CYS  27           HA       CYS  27  -4.704  11.740   6.796
  175    HB2  CYS  27           2HB      CYS  27  -3.076  11.023   4.354
  176    HB3  CYS  27           1HB      CYS  27  -2.480  11.022   6.014
  177    H    ARG  28           H        ARG  28  -2.201  12.876   6.652
  178    HA   ARG  28           HA       ARG  28  -2.894  15.660   6.092
  179    HB2  ARG  28           2HB      ARG  28  -0.713  14.450   7.800
  180    HB3  ARG  28           1HB      ARG  28  -1.019  16.168   7.612
  181    HG2  ARG  28           2HG      ARG  28  -3.117  15.993   8.722
  182    HG3  ARG  28           1HG      ARG  28  -3.031  14.232   8.717
  183    HD2  ARG  28           2HD      ARG  28  -2.455  15.126  10.913
  184    HD3  ARG  28           1HD      ARG  28  -1.083  14.307  10.167
  185    HE   ARG  28           HE       ARG  28  -1.162  17.140   9.749
  186   HH11  ARG  28          1HH1      ARG  28  -0.031  14.545  11.891
  187   HH12  ARG  28          2HH1      ARG  28   1.181  15.487  12.626
  188   HH21  ARG  28          1HH2      ARG  28   0.510  18.422  10.770
  189   HH22  ARG  28          2HH2      ARG  28   1.506  17.747  11.972
  190    HN1  NH2  29           1H       ARG  28  -2.454  15.437   3.845
  191    HN2  NH2  29           2H       ARG  28  -0.832  15.407   3.250
  Start of MODEL    2
    1    H1   HIS   1           1HT      HIS   1  12.180  -6.764   5.727
    2    H2   HIS   1           2HT      HIS   1  12.539  -6.634   4.086
    3    H3   HIS   1           3HT      HIS   1  10.962  -6.428   4.600
    4    HA   HIS   1           HA       HIS   1  11.499  -4.420   5.685
    5    HB2  HIS   1           2HB      HIS   1  14.296  -4.975   4.645
    6    HB3  HIS   1           1HB      HIS   1  13.768  -3.424   5.288
    7    HD1  HIS   1           1HD      HIS   1  15.092  -6.713   6.358
    8    HD2  HIS   1           2HD      HIS   1  13.093  -3.486   8.051
    9    HE1  HIS   1           1HE      HIS   1  15.327  -6.980   8.838
   10    H    GLY   2           H        GLY   2  11.361  -2.469   4.495
   11    HA2  GLY   2           2HA      GLY   2  10.984  -1.225   2.599
   12    HA3  GLY   2           1HA      GLY   2  11.589  -2.569   1.626
   13    H    GLU   3           H        GLU   3   9.856  -2.559   0.184
   14    HA   GLU   3           HA       GLU   3   7.187  -2.873   1.193
   15    HB2  GLU   3           2HB      GLU   3   8.295  -3.053  -1.618
   16    HB3  GLU   3           1HB      GLU   3   6.587  -3.113  -1.206
   17    HG2  GLU   3           2HG      GLU   3   8.440  -0.796  -0.709
   18    HG3  GLU   3           1HG      GLU   3   7.231  -0.904  -1.990
   19    H    GLY   4           H        GLY   4   6.919  -4.714   2.235
   20    HA2  GLY   4           2HA      GLY   4   8.259  -7.117   1.460
   21    HA3  GLY   4           1HA      GLY   4   7.082  -6.945   2.754
   22    H    THR   5           H        THR   5   4.858  -6.861   2.151
   23    HA   THR   5           HA       THR   5   4.323  -8.331  -0.333
   24    HB   THR   5           HB       THR   5   2.841  -8.627   2.289
   25    HG1  THR   5           1HG      THR   5   5.193  -9.742   1.336
   26   HG21  THR   5          3HG2      THR   5   1.975 -10.674   1.245
   27   HG22  THR   5          1HG2      THR   5   2.904 -10.322  -0.217
   28   HG23  THR   5          2HG2      THR   5   1.588  -9.252   0.271
   29    H    PHE   6           H        PHE   6   3.199  -5.917   2.024
   30    HA   PHE   6           HA       PHE   6   0.957  -5.338   0.260
   31    HB2  PHE   6           2HB      PHE   6   0.912  -5.821   2.913
   32    HB3  PHE   6           1HB      PHE   6   1.160  -4.077   2.926
   33    HD1  PHE   6           1HD      PHE   6  -0.494  -2.629   1.661
   34    HD2  PHE   6           2HD      PHE   6  -1.170  -6.731   2.505
   35    HE1  PHE   6           1HE      PHE   6  -2.897  -2.312   1.273
   36    HE2  PHE   6           2HE      PHE   6  -3.562  -6.427   2.125
   37    HZ   PHE   6           HZ       PHE   6  -4.439  -4.213   1.508
   38    H    THR   7           H        THR   7   1.488  -3.809  -1.123
   39    HA   THR   7           HA       THR   7   3.364  -1.760  -0.250
   40    HB   THR   7           HB       THR   7   4.038  -2.963  -2.279
   41    HG1  THR   7           1HG      THR   7   4.421  -0.689  -1.997
   42   HG21  THR   7          3HG2      THR   7   2.780  -2.716  -4.398
   43   HG22  THR   7          1HG2      THR   7   1.495  -1.895  -3.512
   44   HG23  THR   7          2HG2      THR   7   1.855  -3.585  -3.171
   45    H    SER   8           H        SER   8   0.097  -2.219  -1.350
   46    HA   SER   8           HA       SER   8  -0.383   0.633  -1.610
   47    HB2  SER   8           2HB      SER   8  -1.236  -1.066  -3.274
   48    HB3  SER   8           1HB      SER   8  -2.276  -1.707  -2.008
   49    HG   SER   8           HG       SER   8  -3.317   0.286  -1.909
   50    H    ASP   9           H        ASP   9   0.303  -0.336   0.938
   51    HA   ASP   9           HA       ASP   9  -1.924  -0.813   2.678
   52    HB2  ASP   9           2HB      ASP   9   0.461  -1.294   3.374
   53    HB3  ASP   9           1HB      ASP   9   0.708   0.461   3.332
   54    H    CYS  10           H        CYS  10  -3.368   0.589   3.448
   55    HA   CYS  10           HA       CYS  10  -3.690   3.114   2.363
   56    HB2  CYS  10           2HB      CYS  10  -5.519   1.793   3.363
   57    HB3  CYS  10           1HB      CYS  10  -4.844   2.077   4.963
   58    H    SER  11           H        SER  11  -2.213   2.188   5.441
   59    HA   SER  11           HA       SER  11  -1.894   4.846   6.308
   60    HB2  SER  11           2HB      SER  11  -0.402   2.383   7.193
   61    HB3  SER  11           1HB      SER  11  -0.503   3.904   8.078
   62    HG   SER  11           HG       SER  11  -2.644   2.132   7.468
   63    H    LYS  12           H        LYS  12   0.049   2.596   4.533
   64    HA   LYS  12           HA       LYS  12   2.478   4.068   4.493
   65    HB2  LYS  12           2HB      LYS  12   2.213   1.694   3.950
   66    HB3  LYS  12           1HB      LYS  12   1.431   2.180   2.442
   67    HG2  LYS  12           2HG      LYS  12   3.435   3.303   1.727
   68    HG3  LYS  12           1HG      LYS  12   4.231   2.908   3.251
   69    HD2  LYS  12           2HD      LYS  12   3.155   0.954   1.279
   70    HD3  LYS  12           1HD      LYS  12   4.865   1.417   1.439
   71    HE2  LYS  12           2HE      LYS  12   4.809   0.568   3.779
   72    HE3  LYS  12           1HE      LYS  12   3.148   0.049   3.516
   73    HZ1  LYS  12           3HZ      LYS  12   5.437  -0.887   1.936
   74    HZ2  LYS  12           1HZ      LYS  12   3.878  -1.531   1.896
   75    HZ3  LYS  12           2HZ      LYS  12   4.833  -1.718   3.281
   76    H    GLN  13           H        GLN  13  -0.434   4.100   2.462
   77    HA   GLN  13           HA       GLN  13   0.655   5.701   0.446
   78    HB2  GLN  13           2HB      GLN  13  -2.236   5.558   1.339
   79    HB3  GLN  13           1HB      GLN  13  -1.659   6.120  -0.226
   80    HG2  GLN  13           2HG      GLN  13  -1.606   3.311   0.866
   81    HG3  GLN  13           1HG      GLN  13  -2.570   3.923  -0.473
   82   HE21  GLN  13          1HE2      GLN  13   0.561   2.893   0.560
   83   HE22  GLN  13          2HE2      GLN  13   1.268   2.766  -1.008
   84    H    CYS  14           H        CYS  14  -0.852   6.361   3.525
   85    HA   CYS  14           HA       CYS  14  -0.893   9.168   3.135
   86    HB2  CYS  14           2HB      CYS  14  -1.226   7.513   5.637
   87    HB3  CYS  14           1HB      CYS  14  -1.468   9.258   5.539
   88    H    GLU  15           H        GLU  15   1.388   6.923   4.629
   89    HA   GLU  15           HA       GLU  15   3.061   8.983   5.639
   90    HB2  GLU  15           2HB      GLU  15   3.669   6.083   5.074
   91    HB3  GLU  15           1HB      GLU  15   4.768   7.184   5.895
   92    HG2  GLU  15           2HG      GLU  15   3.056   7.538   7.633
   93    HG3  GLU  15           1HG      GLU  15   2.038   6.344   6.832
   94    H    GLU  16           H        GLU  16   2.975   7.221   2.592
   95    HA   GLU  16           HA       GLU  16   5.306   8.513   1.570
   96    HB2  GLU  16           2HB      GLU  16   3.036   7.121   0.122
   97    HB3  GLU  16           1HB      GLU  16   4.478   7.727  -0.677
   98    HG2  GLU  16           2HG      GLU  16   5.819   6.183   0.745
   99    HG3  GLU  16           1HG      GLU  16   4.306   5.520   1.362
  100    H    GLY  17           H        GLY  17   2.066   9.408   2.023
  101    HA2  GLY  17           2HA      GLY  17   1.214  11.552   1.947
  102    HA3  GLY  17           1HA      GLY  17   2.680  12.081   1.133
  103    H    ILE  18           H        ILE  18   0.669   9.429   0.146
  104    HA   ILE  18           HA       ILE  18   0.381  10.664  -2.464
  105    HB   ILE  18           HB       ILE  18  -0.685   7.945  -1.620
  106   HG12  ILE  18          2HG1      ILE  18   2.000   8.563  -2.860
  107   HG13  ILE  18          1HG1      ILE  18   1.759   8.175  -1.160
  108   HG21  ILE  18          1HG2      ILE  18  -1.546   8.879  -3.734
  109   HG22  ILE  18          2HG2      ILE  18  -0.522   7.474  -4.028
  110   HG23  ILE  18          3HG2      ILE  18   0.108   9.096  -4.308
  111   HD11  ILE  18          3HD1      ILE  18   2.553   6.252  -2.412
  112   HD12  ILE  18          1HD1      ILE  18   1.166   6.378  -3.492
  113   HD13  ILE  18          2HD1      ILE  18   0.924   5.970  -1.794
  114    H    GLY  19           H        GLY  19  -2.057   8.689  -0.834
  115    HA2  GLY  19           2HA      GLY  19  -4.239   9.142  -0.268
  116    HA3  GLY  19           1HA      GLY  19  -3.803  10.845  -0.240
  117    H    HIS  20           H        HIS  20  -3.189   9.078  -3.105
  118    HA   HIS  20           HA       HIS  20  -5.268  10.625  -4.461
  119    HB2  HIS  20           2HB      HIS  20  -2.927  11.130  -5.102
  120    HB3  HIS  20           1HB      HIS  20  -2.678   9.440  -5.501
  121    HD1  HIS  20           1HD      HIS  20  -4.374  12.558  -6.784
  122    HD2  HIS  20           2HD      HIS  20  -3.556   8.665  -7.975
  123    HE1  HIS  20           1HE      HIS  20  -4.907  12.463  -9.234
  124    H    LYS  21           H        LYS  21  -6.938   9.507  -5.147
  125    HA   LYS  21           HA       LYS  21  -8.314   7.893  -5.882
  126    HB2  LYS  21           2HB      LYS  21  -5.788   6.331  -6.472
  127    HB3  LYS  21           1HB      LYS  21  -7.407   5.801  -6.908
  128    HG2  LYS  21           2HG      LYS  21  -7.676   7.700  -8.374
  129    HG3  LYS  21           1HG      LYS  21  -6.119   8.349  -7.865
  130    HD2  LYS  21           2HD      LYS  21  -5.939   7.263 -10.039
  131    HD3  LYS  21           1HD      LYS  21  -4.991   6.397  -8.834
  132    HE2  LYS  21           2HE      LYS  21  -6.197   4.846 -10.283
  133    HE3  LYS  21           1HE      LYS  21  -6.788   4.732  -8.630
  134    HZ1  LYS  21           3HZ      LYS  21  -8.589   4.738 -10.227
  135    HZ2  LYS  21           1HZ      LYS  21  -8.110   6.237 -10.828
  136    HZ3  LYS  21           2HZ      LYS  21  -8.685   6.073  -9.241
  137    H    TYR  22           H        TYR  22  -7.184   8.081  -3.139
  138    HA   TYR  22           HA       TYR  22  -8.053   5.420  -2.246
  139    HB2  TYR  22           2HB      TYR  22  -5.986   7.089  -0.757
  140    HB3  TYR  22           1HB      TYR  22  -6.442   5.422  -0.425
  141    HD1  TYR  22           2HD      TYR  22  -6.363   4.275  -3.161
  142    HD2  TYR  22           1HD      TYR  22  -3.642   6.968  -1.259
  143    HE1  TYR  22           2HE      TYR  22  -4.633   3.585  -4.683
  144    HE2  TYR  22           1HE      TYR  22  -1.899   6.276  -2.812
  145    HH   TYR  22           HH       TYR  22  -2.524   4.581  -5.617
  146    HA   PRO  23           HA       PRO  23 -10.922   8.608  -0.591
  147    HB2  PRO  23           2HB      PRO  23 -13.137   7.041  -0.647
  148    HB3  PRO  23           1HB      PRO  23 -12.471   7.803  -2.099
  149    HG2  PRO  23           2HG      PRO  23 -12.112   5.010  -1.151
  150    HG3  PRO  23           1HG      PRO  23 -12.534   5.602  -2.767
  151    HD2  PRO  23           2HD      PRO  23 -10.031   4.895  -2.108
  152    HD3  PRO  23           1HD      PRO  23 -10.362   6.209  -3.255
  153    H    PHE  24           H        PHE  24 -10.033   5.529   0.509
  154    HA   PHE  24           HA       PHE  24 -11.340   5.831   3.080
  155    HB2  PHE  24           2HB      PHE  24 -10.325   3.451   3.395
  156    HB3  PHE  24           1HB      PHE  24 -11.698   3.655   2.313
  157    HD1  PHE  24           1HD      PHE  24 -11.439   3.493  -0.043
  158    HD2  PHE  24           2HD      PHE  24  -8.110   2.910   2.518
  159    HE1  PHE  24           1HE      PHE  24 -10.222   2.595  -1.905
  160    HE2  PHE  24           2HE      PHE  24  -6.838   1.955   0.643
  161    HZ   PHE  24           HZ       PHE  24  -7.877   1.784  -1.592
  162    H    CYS  25           H        CYS  25  -8.626   6.979   1.801
  163    HA   CYS  25           HA       CYS  25  -7.126   6.580   4.277
  164    HB2  CYS  25           2HB      CYS  25  -6.011   7.051   1.513
  165    HB3  CYS  25           1HB      CYS  25  -5.066   6.910   2.989
  166    H    HIS  26           H        HIS  26  -7.744   8.350   5.357
  167    HA   HIS  26           HA       HIS  26  -7.575  10.937   4.103
  168    HB2  HIS  26           2HB      HIS  26  -9.301  10.460   5.870
  169    HB3  HIS  26           1HB      HIS  26  -8.003  10.223   7.032
  170    HD1  HIS  26           1HD      HIS  26  -7.641  12.274   8.467
  171    HD2  HIS  26           2HD      HIS  26  -9.045  13.198   4.661
  172    HE1  HIS  26           1HE      HIS  26  -7.921  14.768   8.424
  173    H    CYS  27           H        CYS  27  -5.584  11.454   3.636
  174    HA   CYS  27           HA       CYS  27  -3.414  10.636   5.402
  175    HB2  CYS  27           2HB      CYS  27  -3.344  11.585   2.538
  176    HB3  CYS  27           1HB      CYS  27  -1.975  10.986   3.475
  177    H    ARG  28           H        ARG  28  -1.616  12.120   5.694
  178    HA   ARG  28           HA       ARG  28  -2.435  14.591   6.673
  179    HB2  ARG  28           2HB      ARG  28   0.004  14.976   7.058
  180    HB3  ARG  28           1HB      ARG  28  -0.608  13.463   7.700
  181    HG2  ARG  28           2HG      ARG  28   0.333  12.303   5.699
  182    HG3  ARG  28           1HG      ARG  28   1.045  13.836   5.207
  183    HD2  ARG  28           2HD      ARG  28   2.262  13.928   7.349
  184    HD3  ARG  28           1HD      ARG  28   1.562  12.365   7.769
  185    HE   ARG  28           HE       ARG  28   2.924  12.303   5.281
  186   HH11  ARG  28          1HH1      ARG  28   3.377  12.019   8.769
  187   HH12  ARG  28          2HH1      ARG  28   4.928  11.322   8.659
  188   HH21  ARG  28          1HH2      ARG  28   4.975  11.302   5.113
  189   HH22  ARG  28          2HH2      ARG  28   5.844  10.831   6.504
  190    HN1  NH2  29           1H       ARG  28  -3.319  15.914   5.211
  191    HN2  NH2  29           2H       ARG  28  -2.482  16.628   3.878
  Start of MODEL    3
    1    H1   HIS   1           1HT      HIS   1   8.245 -10.651   4.204
    2    H2   HIS   1           2HT      HIS   1   8.134  -8.981   4.354
    3    H3   HIS   1           3HT      HIS   1   8.236  -9.935   5.721
    4    HA   HIS   1           HA       HIS   1  10.418 -10.663   5.197
    5    HB2  HIS   1           2HB      HIS   1  10.165  -8.789   2.820
    6    HB3  HIS   1           1HB      HIS   1  11.668  -9.543   3.337
    7    HD1  HIS   1           1HD      HIS   1   9.391  -9.992   0.728
    8    HD2  HIS   1           2HD      HIS   1  10.973 -12.589   3.565
    9    HE1  HIS   1           1HE      HIS   1   9.134 -12.299  -0.223
   10    H    GLY   2           H        GLY   2   9.225  -7.345   4.699
   11    HA2  GLY   2           2HA      GLY   2  10.933  -6.568   6.944
   12    HA3  GLY   2           1HA      GLY   2  10.643  -5.526   5.553
   13    H    GLU   3           H        GLU   3   9.510  -3.910   6.351
   14    HA   GLU   3           HA       GLU   3   7.055  -4.511   7.847
   15    HB2  GLU   3           2HB      GLU   3   8.825  -2.068   7.916
   16    HB3  GLU   3           1HB      GLU   3   7.328  -2.265   8.817
   17    HG2  GLU   3           2HG      GLU   3   8.277  -3.998  10.148
   18    HG3  GLU   3           1HG      GLU   3   9.717  -4.055   9.132
   19    H    GLY   4           H        GLY   4   5.173  -3.638   7.007
   20    HA2  GLY   4           2HA      GLY   4   3.856  -2.433   5.540
   21    HA3  GLY   4           1HA      GLY   4   5.321  -1.648   4.942
   22    H    THR   5           H        THR   5   3.934  -4.883   5.072
   23    HA   THR   5           HA       THR   5   5.464  -5.972   3.047
   24    HB   THR   5           HB       THR   5   2.713  -6.841   3.922
   25    HG1  THR   5           1HG      THR   5   5.126  -7.817   5.005
   26   HG21  THR   5          3HG2      THR   5   3.588  -9.091   3.367
   27   HG22  THR   5          1HG2      THR   5   5.083  -8.353   2.790
   28   HG23  THR   5          2HG2      THR   5   3.556  -8.031   1.961
   29    H    PHE   6           H        PHE   6   2.216  -4.476   2.829
   30    HA   PHE   6           HA       PHE   6   2.408  -4.995  -0.031
   31    HB2  PHE   6           2HB      PHE   6   0.363  -5.662   1.399
   32    HB3  PHE   6           1HB      PHE   6  -0.076  -3.958   1.265
   33    HD1  PHE   6           2HD      PHE   6   0.655  -7.013  -0.597
   34    HD2  PHE   6           1HD      PHE   6  -0.970  -3.092  -0.781
   35    HE1  PHE   6           2HE      PHE   6  -0.235  -7.517  -2.790
   36    HE2  PHE   6           1HE      PHE   6  -1.893  -3.588  -3.009
   37    HZ   PHE   6           HZ       PHE   6  -1.528  -5.801  -4.026
   38    H    THR   7           H        THR   7   2.684  -3.465  -1.421
   39    HA   THR   7           HA       THR   7   3.601  -0.969  -0.811
   40    HB   THR   7           HB       THR   7   2.334  -2.000  -3.333
   41    HG1  THR   7           1HG      THR   7   5.019  -1.919  -2.417
   42   HG21  THR   7          3HG2      THR   7   4.201   0.348  -2.914
   43   HG22  THR   7          1HG2      THR   7   2.492   0.412  -3.353
   44   HG23  THR   7          2HG2      THR   7   3.664  -0.278  -4.484
   45    H    SER   8           H        SER   8   0.306  -1.891  -1.750
   46    HA   SER   8           HA       SER   8  -0.529   0.873  -1.755
   47    HB2  SER   8           2HB      SER   8  -2.120  -1.621  -2.306
   48    HB3  SER   8           1HB      SER   8  -2.545   0.037  -2.737
   49    HG   SER   8           HG       SER   8  -0.674   0.095  -4.035
   50    H    ASP   9           H        ASP   9   0.140  -0.606   0.871
   51    HA   ASP   9           HA       ASP   9  -2.359  -0.905   2.257
   52    HB2  ASP   9           2HB      ASP   9  -0.195  -1.896   3.114
   53    HB3  ASP   9           1HB      ASP   9   0.333  -0.255   3.487
   54    H    CYS  10           H        CYS  10  -3.466   0.535   3.476
   55    HA   CYS  10           HA       CYS  10  -3.651   3.165   2.732
   56    HB2  CYS  10           2HB      CYS  10  -5.388   1.849   3.918
   57    HB3  CYS  10           1HB      CYS  10  -4.451   1.997   5.400
   58    H    SER  11           H        SER  11  -1.834   1.797   5.473
   59    HA   SER  11           HA       SER  11  -1.213   4.311   6.619
   60    HB2  SER  11           2HB      SER  11   0.434   3.041   7.985
   61    HB3  SER  11           1HB      SER  11  -1.154   2.279   7.979
   62    HG   SER  11           HG       SER  11  -0.375   0.787   6.430
   63    H    LYS  12           H        LYS  12   0.208   2.315   4.217
   64    HA   LYS  12           HA       LYS  12   2.663   3.702   4.195
   65    HB2  LYS  12           2HB      LYS  12   1.537   1.699   2.293
   66    HB3  LYS  12           1HB      LYS  12   3.155   2.399   2.170
   67    HG2  LYS  12           2HG      LYS  12   3.670   1.590   4.410
   68    HG3  LYS  12           1HG      LYS  12   2.073   0.851   4.505
   69    HD2  LYS  12           2HD      LYS  12   3.649  -0.813   3.933
   70    HD3  LYS  12           1HD      LYS  12   2.634  -0.465   2.526
   71    HE2  LYS  12           2HE      LYS  12   4.959  -0.704   1.842
   72    HE3  LYS  12           1HE      LYS  12   4.383   0.945   1.609
   73    HZ1  LYS  12           3HZ      LYS  12   5.672   1.702   3.477
   74    HZ2  LYS  12           1HZ      LYS  12   6.664   0.675   2.604
   75    HZ3  LYS  12           2HZ      LYS  12   5.959   0.142   4.013
   76    H    GLN  13           H        GLN  13  -0.403   4.037   2.556
   77    HA   GLN  13           HA       GLN  13   0.571   5.620   0.466
   78    HB2  GLN  13           2HB      GLN  13  -2.190   5.604   1.694
   79    HB3  GLN  13           1HB      GLN  13  -1.765   6.272   0.120
   80    HG2  GLN  13           2HG      GLN  13  -2.007   3.415   0.986
   81    HG3  GLN  13           1HG      GLN  13  -2.747   4.229  -0.389
   82   HE21  GLN  13          1HE2      GLN  13  -0.039   2.585   0.810
   83   HE22  GLN  13          2HE2      GLN  13   0.858   2.406  -0.649
   84    H    CYS  14           H        CYS  14  -0.503   6.268   3.739
   85    HA   CYS  14           HA       CYS  14  -0.011   9.087   3.363
   86    HB2  CYS  14           2HB      CYS  14  -0.823   7.536   5.826
   87    HB3  CYS  14           1HB      CYS  14  -0.656   9.292   5.770
   88    H    GLU  15           H        GLU  15   1.847   6.430   4.028
   89    HA   GLU  15           HA       GLU  15   3.922   7.631   5.617
   90    HB2  GLU  15           2HB      GLU  15   3.495   5.214   5.535
   91    HB3  GLU  15           1HB      GLU  15   3.811   5.236   3.811
   92    HG2  GLU  15           2HG      GLU  15   6.145   5.806   4.265
   93    HG3  GLU  15           1HG      GLU  15   5.799   5.713   5.997
   94    H    GLU  16           H        GLU  16   3.216   7.045   2.243
   95    HA   GLU  16           HA       GLU  16   5.658   8.293   1.320
   96    HB2  GLU  16           2HB      GLU  16   3.288   7.209  -0.215
   97    HB3  GLU  16           1HB      GLU  16   4.823   7.710  -0.917
   98    HG2  GLU  16           2HG      GLU  16   5.954   5.961   0.367
   99    HG3  GLU  16           1HG      GLU  16   4.405   5.454   1.019
  100    H    GLY  17           H        GLY  17   2.400   9.055   1.935
  101    HA2  GLY  17           2HA      GLY  17   1.440  11.168   2.094
  102    HA3  GLY  17           1HA      GLY  17   2.888  11.840   1.351
  103    H    ILE  18           H        ILE  18   0.511   9.433   0.354
  104    HA   ILE  18           HA       ILE  18   0.342  10.820  -2.216
  105    HB   ILE  18           HB       ILE  18  -0.837   8.105  -1.531
  106   HG12  ILE  18          2HG1      ILE  18   1.813   8.725  -2.872
  107   HG13  ILE  18          1HG1      ILE  18   1.625   8.110  -1.237
  108   HG21  ILE  18          1HG2      ILE  18  -0.862   7.826  -3.992
  109   HG22  ILE  18          2HG2      ILE  18  -0.202   9.450  -4.176
  110   HG23  ILE  18          3HG2      ILE  18  -1.812   9.227  -3.493
  111   HD11  ILE  18          3HD1      ILE  18   2.258   6.348  -2.787
  112   HD12  ILE  18          1HD1      ILE  18   0.827   6.680  -3.764
  113   HD13  ILE  18          2HD1      ILE  18   0.649   6.054  -2.125
  114    H    GLY  19           H        GLY  19  -2.158   8.942  -0.530
  115    HA2  GLY  19           2HA      GLY  19  -4.299   9.529   0.103
  116    HA3  GLY  19           1HA      GLY  19  -3.746  11.201   0.101
  117    H    HIS  20           H        HIS  20  -3.522   9.150  -2.689
  118    HA   HIS  20           HA       HIS  20  -5.594  10.758  -3.997
  119    HB2  HIS  20           2HB      HIS  20  -3.153  11.311  -4.562
  120    HB3  HIS  20           1HB      HIS  20  -3.078   9.707  -5.272
  121    HD1  HIS  20           1HD      HIS  20  -4.406  13.148  -5.889
  122    HD2  HIS  20           2HD      HIS  20  -4.444   9.420  -7.717
  123    HE1  HIS  20           1HE      HIS  20  -5.289  13.531  -8.210
  124    H    LYS  21           H        LYS  21  -7.144   9.487  -4.860
  125    HA   LYS  21           HA       LYS  21  -8.303   7.696  -5.637
  126    HB2  LYS  21           2HB      LYS  21  -5.578   6.441  -5.983
  127    HB3  LYS  21           1HB      LYS  21  -7.081   5.653  -6.436
  128    HG2  LYS  21           2HG      LYS  21  -7.516   7.256  -8.114
  129    HG3  LYS  21           1HG      LYS  21  -6.219   8.306  -7.541
  130    HD2  LYS  21           2HD      LYS  21  -5.577   7.065  -9.570
  131    HD3  LYS  21           1HD      LYS  21  -4.563   6.664  -8.188
  132    HE2  LYS  21           2HE      LYS  21  -5.877   4.608  -7.837
  133    HE3  LYS  21           1HE      LYS  21  -6.871   5.019  -9.235
  134    HZ1  LYS  21           3HZ      LYS  21  -4.948   4.830 -10.640
  135    HZ2  LYS  21           1HZ      LYS  21  -5.110   3.415  -9.733
  136    HZ3  LYS  21           2HZ      LYS  21  -3.949   4.553  -9.308
  137    H    TYR  22           H        TYR  22  -7.225   8.062  -2.832
  138    HA   TYR  22           HA       TYR  22  -8.067   5.410  -1.896
  139    HB2  TYR  22           2HB      TYR  22  -6.067   7.135  -0.387
  140    HB3  TYR  22           1HB      TYR  22  -6.476   5.448  -0.087
  141    HD1  TYR  22           2HD      TYR  22  -6.257   4.232  -2.710
  142    HD2  TYR  22           1HD      TYR  22  -3.749   7.207  -0.945
  143    HE1  TYR  22           2HE      TYR  22  -4.464   3.589  -4.187
  144    HE2  TYR  22           1HE      TYR  22  -1.973   6.592  -2.462
  145    HH   TYR  22           HH       TYR  22  -1.320   4.462  -3.663
  146    HA   PRO  23           HA       PRO  23 -10.877   8.778  -0.480
  147    HB2  PRO  23           2HB      PRO  23 -13.134   7.208  -0.406
  148    HB3  PRO  23           1HB      PRO  23 -12.543   8.023  -1.862
  149    HG2  PRO  23           2HG      PRO  23 -12.196   5.186  -1.042
  150    HG3  PRO  23           1HG      PRO  23 -12.587   5.862  -2.631
  151    HD2  PRO  23           2HD      PRO  23 -10.097   5.045  -1.968
  152    HD3  PRO  23           1HD      PRO  23 -10.371   6.393  -3.079
  153    H    PHE  24           H        PHE  24 -10.429   5.583   0.630
  154    HA   PHE  24           HA       PHE  24 -11.530   6.021   3.240
  155    HB2  PHE  24           2HB      PHE  24 -10.506   3.617   3.527
  156    HB3  PHE  24           1HB      PHE  24 -11.952   3.854   2.547
  157    HD1  PHE  24           2HD      PHE  24  -8.331   3.170   2.452
  158    HD2  PHE  24           1HD      PHE  24 -11.908   3.560   0.203
  159    HE1  PHE  24           2HE      PHE  24  -7.208   2.206   0.502
  160    HE2  PHE  24           1HE      PHE  24 -10.820   2.633  -1.744
  161    HZ   PHE  24           HZ       PHE  24  -8.438   1.927  -1.619
  162    H    CYS  25           H        CYS  25  -8.726   7.035   1.892
  163    HA   CYS  25           HA       CYS  25  -7.352   6.977   4.476
  164    HB2  CYS  25           2HB      CYS  25  -5.979   6.489   1.835
  165    HB3  CYS  25           1HB      CYS  25  -5.228   6.537   3.422
  166    H    HIS  26           H        HIS  26  -7.872   9.148   4.835
  167    HA   HIS  26           HA       HIS  26  -6.781  10.934   2.824
  168    HB2  HIS  26           2HB      HIS  26  -7.743  12.813   4.008
  169    HB3  HIS  26           1HB      HIS  26  -8.983  11.596   3.843
  170    HD1  HIS  26           1HD      HIS  26 -10.154  10.907   5.994
  171    HD2  HIS  26           2HD      HIS  26  -6.667  13.048   6.542
  172    HE1  HIS  26           1HE      HIS  26 -10.096  11.477   8.444
  173    H    CYS  27           H        CYS  27  -4.912  11.561   2.786
  174    HA   CYS  27           HA       CYS  27  -3.223  11.154   5.122
  175    HB2  CYS  27           2HB      CYS  27  -2.518  11.825   2.262
  176    HB3  CYS  27           1HB      CYS  27  -1.360  11.490   3.545
  177    H    ARG  28           H        ARG  28  -5.180  13.316   4.383
  178    HA   ARG  28           HA       ARG  28  -3.767  15.811   4.413
  179    HB2  ARG  28           2HB      ARG  28  -6.641  15.203   5.138
  180    HB3  ARG  28           1HB      ARG  28  -5.973  16.789   4.784
  181    HG2  ARG  28           2HG      ARG  28  -5.594  16.180   2.494
  182    HG3  ARG  28           1HG      ARG  28  -6.057  14.512   2.845
  183    HD2  ARG  28           2HD      ARG  28  -7.864  15.671   1.746
  184    HD3  ARG  28           1HD      ARG  28  -8.305  15.248   3.391
  185    HE   ARG  28           HE       ARG  28  -7.525  17.697   3.804
  186   HH11  ARG  28          1HH1      ARG  28  -9.278  16.552   0.960
  187   HH12  ARG  28          2HH1      ARG  28 -10.239  17.946   0.812
  188   HH21  ARG  28          1HH2      ARG  28  -8.799  19.599   3.607
  189   HH22  ARG  28          2HH2      ARG  28  -9.963  19.726   2.357
  190    HN1  NH2  29           1H       ARG  28  -2.462  15.953   6.146
  191    HN2  NH2  29           2H       ARG  28  -2.956  15.793   7.793
  Start of MODEL    4
    1    H1   HIS   1           1HT      HIS   1   9.780  -0.828 -10.206
    2    H2   HIS   1           2HT      HIS   1  10.049  -2.486 -10.459
    3    H3   HIS   1           3HT      HIS   1  10.988  -1.657  -9.368
    4    HA   HIS   1           HA       HIS   1   9.202  -1.343  -7.878
    5    HB2  HIS   1           2HB      HIS   1   7.570  -2.897  -9.916
    6    HB3  HIS   1           1HB      HIS   1   7.025  -2.459  -8.308
    7    HD1  HIS   1           1HD      HIS   1   6.659  -1.417 -11.697
    8    HD2  HIS   1           2HD      HIS   1   7.075   0.565  -8.060
    9    HE1  HIS   1           1HE      HIS   1   5.765   0.885 -12.066
   10    H    GLY   2           H        GLY   2   9.100  -2.833  -6.234
   11    HA2  GLY   2           2HA      GLY   2   9.656  -5.623  -6.839
   12    HA3  GLY   2           1HA      GLY   2  10.726  -4.751  -5.734
   13    H    GLU   3           H        GLU   3   7.315  -5.255  -6.330
   14    HA   GLU   3           HA       GLU   3   6.774  -4.663  -3.533
   15    HB2  GLU   3           2HB      GLU   3   4.815  -5.038  -5.787
   16    HB3  GLU   3           1HB      GLU   3   4.514  -4.305  -4.218
   17    HG2  GLU   3           2HG      GLU   3   6.284  -3.192  -6.388
   18    HG3  GLU   3           1HG      GLU   3   4.675  -2.617  -5.963
   19    H    GLY   4           H        GLY   4   5.246  -6.017  -2.401
   20    HA2  GLY   4           2HA      GLY   4   5.677  -8.806  -3.130
   21    HA3  GLY   4           1HA      GLY   4   5.390  -8.221  -1.493
   22    H    THR   5           H        THR   5   3.480  -8.713  -0.763
   23    HA   THR   5           HA       THR   5   1.435  -9.681  -2.491
   24    HB   THR   5           HB       THR   5   1.526  -9.199   0.473
   25    HG1  THR   5           1HG      THR   5   2.845 -10.852  -0.413
   26   HG21  THR   5          3HG2      THR   5  -0.638 -10.561  -1.164
   27   HG22  THR   5          1HG2      THR   5  -0.806  -9.072  -0.243
   28   HG23  THR   5          2HG2      THR   5  -0.536 -10.598   0.598
   29    H    PHE   6           H        PHE   6   1.594  -6.921  -0.220
   30    HA   PHE   6           HA       PHE   6  -0.360  -5.647  -1.923
   31    HB2  PHE   6           2HB      PHE   6  -1.390  -6.929   0.075
   32    HB3  PHE   6           1HB      PHE   6  -0.692  -5.646   1.055
   33    HD1  PHE   6           1HD      PHE   6  -2.980  -6.334  -1.724
   34    HD2  PHE   6           2HD      PHE   6  -1.779  -3.585   1.258
   35    HE1  PHE   6           1HE      PHE   6  -4.982  -4.988  -2.185
   36    HE2  PHE   6           2HE      PHE   6  -3.784  -2.218   0.809
   37    HZ   PHE   6           HZ       PHE   6  -5.386  -2.924  -0.916
   38    H    THR   7           H        THR   7   0.353  -3.741  -2.328
   39    HA   THR   7           HA       THR   7   2.143  -2.441  -0.407
   40    HB   THR   7           HB       THR   7   3.258  -3.221  -2.462
   41    HG1  THR   7           1HG      THR   7   4.229  -1.269  -2.981
   42   HG21  THR   7          3HG2      THR   7   1.415  -3.090  -4.027
   43   HG22  THR   7          1HG2      THR   7   2.761  -2.121  -4.628
   44   HG23  THR   7          2HG2      THR   7   1.365  -1.338  -3.875
   45    H    SER   8           H        SER   8  -0.830  -2.432  -1.711
   46    HA   SER   8           HA       SER   8  -1.177   0.396  -2.165
   47    HB2  SER   8           2HB      SER   8  -3.228  -1.822  -2.129
   48    HB3  SER   8           1HB      SER   8  -3.380  -0.235  -2.889
   49    HG   SER   8           HG       SER   8  -2.152  -0.842  -4.494
   50    H    ASP   9           H        ASP   9  -0.599  -0.953   0.524
   51    HA   ASP   9           HA       ASP   9  -2.789  -0.832   2.276
   52    HB2  ASP   9           2HB      ASP   9   0.104  -0.474   2.677
   53    HB3  ASP   9           1HB      ASP   9  -1.017  -0.537   4.039
   54    H    CYS  10           H        CYS  10  -3.688   0.717   3.386
   55    HA   CYS  10           HA       CYS  10  -3.595   3.345   2.499
   56    HB2  CYS  10           2HB      CYS  10  -5.484   2.113   3.657
   57    HB3  CYS  10           1HB      CYS  10  -4.648   2.454   5.172
   58    H    SER  11           H        SER  11  -2.051   1.778   5.227
   59    HA   SER  11           HA       SER  11  -1.128   4.062   6.562
   60    HB2  SER  11           2HB      SER  11   0.114   1.304   6.486
   61    HB3  SER  11           1HB      SER  11   0.353   2.529   7.736
   62    HG   SER  11           HG       SER  11  -1.903   2.449   8.091
   63    H    LYS  12           H        LYS  12   0.144   2.285   3.833
   64    HA   LYS  12           HA       LYS  12   2.733   3.556   3.835
   65    HB2  LYS  12           2HB      LYS  12   1.285   2.037   1.663
   66    HB3  LYS  12           1HB      LYS  12   3.000   2.441   1.682
   67    HG2  LYS  12           2HG      LYS  12   3.345   1.055   3.615
   68    HG3  LYS  12           1HG      LYS  12   1.621   0.727   3.716
   69    HD2  LYS  12           2HD      LYS  12   1.746  -0.352   1.490
   70    HD3  LYS  12           1HD      LYS  12   3.489  -0.065   1.514
   71    HE2  LYS  12           2HE      LYS  12   3.750  -1.375   3.499
   72    HE3  LYS  12           1HE      LYS  12   1.993  -1.509   3.625
   73    HZ1  LYS  12           3HZ      LYS  12   3.181  -3.524   2.748
   74    HZ2  LYS  12           1HZ      LYS  12   3.518  -2.675   1.343
   75    HZ3  LYS  12           2HZ      LYS  12   1.902  -3.003   1.822
   76    H    GLN  13           H        GLN  13  -0.314   3.866   2.191
   77    HA   GLN  13           HA       GLN  13   0.339   5.833   0.322
   78    HB2  GLN  13           2HB      GLN  13  -2.327   5.782   1.722
   79    HB3  GLN  13           1HB      GLN  13  -1.974   6.279   0.074
   80    HG2  GLN  13           2HG      GLN  13  -1.881   3.477   1.167
   81    HG3  GLN  13           1HG      GLN  13  -3.115   4.151   0.116
   82   HE21  GLN  13          1HE2      GLN  13  -2.732   2.463  -1.290
   83   HE22  GLN  13          2HE2      GLN  13  -1.328   2.412  -2.302
   84    H    CYS  14           H        CYS  14  -0.820   6.241   3.653
   85    HA   CYS  14           HA       CYS  14  -0.538   9.068   3.435
   86    HB2  CYS  14           2HB      CYS  14  -1.175   7.321   5.800
   87    HB3  CYS  14           1HB      CYS  14  -1.009   9.072   5.926
   88    H    GLU  15           H        GLU  15   1.533   6.509   4.531
   89    HA   GLU  15           HA       GLU  15   3.416   8.130   5.869
   90    HB2  GLU  15           2HB      GLU  15   3.344   5.744   6.209
   91    HB3  GLU  15           1HB      GLU  15   3.645   5.453   4.506
   92    HG2  GLU  15           2HG      GLU  15   5.841   6.305   4.690
   93    HG3  GLU  15           1HG      GLU  15   5.592   6.753   6.389
   94    H    GLU  16           H        GLU  16   3.033   7.136   2.526
   95    HA   GLU  16           HA       GLU  16   5.417   8.466   1.647
   96    HB2  GLU  16           2HB      GLU  16   3.057   7.335   0.148
   97    HB3  GLU  16           1HB      GLU  16   4.492   7.991  -0.625
   98    HG2  GLU  16           2HG      GLU  16   4.470   5.652   1.274
   99    HG3  GLU  16           1HG      GLU  16   4.485   5.524  -0.483
  100    H    GLY  17           H        GLY  17   2.183   9.279   2.239
  101    HA2  GLY  17           2HA      GLY  17   1.299  11.408   2.453
  102    HA3  GLY  17           1HA      GLY  17   2.745  12.062   1.688
  103    H    ILE  18           H        ILE  18   0.471   9.610   0.597
  104    HA   ILE  18           HA       ILE  18   0.123  11.215  -1.819
  105    HB   ILE  18           HB       ILE  18  -0.647   8.296  -1.517
  106   HG12  ILE  18          2HG1      ILE  18   1.915   9.406  -2.674
  107   HG13  ILE  18          1HG1      ILE  18   1.790   8.654  -1.087
  108   HG21  ILE  18          1HG2      ILE  18  -0.484   8.348  -3.990
  109   HG22  ILE  18          2HG2      ILE  18  -0.123  10.072  -3.915
  110   HG23  ILE  18          3HG2      ILE  18  -1.694   9.474  -3.382
  111   HD11  ILE  18          3HD1      ILE  18   2.654   7.109  -2.739
  112   HD12  ILE  18          1HD1      ILE  18   1.201   7.340  -3.718
  113   HD13  ILE  18          2HD1      ILE  18   1.079   6.578  -2.132
  114    H    GLY  19           H        GLY  19  -2.040   8.704  -0.538
  115    HA2  GLY  19           2HA      GLY  19  -4.237   8.807   0.209
  116    HA3  GLY  19           1HA      GLY  19  -4.071  10.550   0.332
  117    H    HIS  20           H        HIS  20  -3.102  10.088  -2.601
  118    HA   HIS  20           HA       HIS  20  -5.540  10.976  -3.801
  119    HB2  HIS  20           2HB      HIS  20  -3.280  11.915  -4.298
  120    HB3  HIS  20           1HB      HIS  20  -2.841  10.373  -5.010
  121    HD1  HIS  20           1HD      HIS  20  -4.924  13.450  -5.664
  122    HD2  HIS  20           2HD      HIS  20  -3.732   9.957  -7.576
  123    HE1  HIS  20           1HE      HIS  20  -5.487  13.775  -8.082
  124    H    LYS  21           H        LYS  21  -7.014   9.658  -4.565
  125    HA   LYS  21           HA       LYS  21  -8.096   7.953  -5.571
  126    HB2  LYS  21           2HB      LYS  21  -5.365   6.877  -6.291
  127    HB3  LYS  21           1HB      LYS  21  -6.879   6.154  -6.809
  128    HG2  LYS  21           2HG      LYS  21  -7.437   8.198  -8.021
  129    HG3  LYS  21           1HG      LYS  21  -5.915   8.919  -7.487
  130    HD2  LYS  21           2HD      LYS  21  -4.669   7.174  -8.654
  131    HD3  LYS  21           1HD      LYS  21  -6.184   6.424  -9.159
  132    HE2  LYS  21           2HE      LYS  21  -6.760   8.431 -10.418
  133    HE3  LYS  21           1HE      LYS  21  -5.256   9.193  -9.903
  134    HZ1  LYS  21           3HZ      LYS  21  -4.040   7.459 -11.074
  135    HZ2  LYS  21           1HZ      LYS  21  -5.073   8.279 -12.119
  136    HZ3  LYS  21           2HZ      LYS  21  -5.465   6.732 -11.557
  137    H    TYR  22           H        TYR  22  -6.859   7.933  -2.804
  138    HA   TYR  22           HA       TYR  22  -7.619   5.159  -2.260
  139    HB2  TYR  22           2HB      TYR  22  -5.590   6.695  -0.602
  140    HB3  TYR  22           1HB      TYR  22  -5.917   4.964  -0.565
  141    HD1  TYR  22           2HD      TYR  22  -5.761   4.102  -3.279
  142    HD2  TYR  22           1HD      TYR  22  -3.446   7.075  -1.348
  143    HE1  TYR  22           2HE      TYR  22  -4.023   3.792  -4.944
  144    HE2  TYR  22           1HE      TYR  22  -1.691   6.817  -3.034
  145    HH   TYR  22           HH       TYR  22  -0.896   5.056  -4.603
  146    HA   PRO  23           HA       PRO  23 -10.560   8.213  -0.584
  147    HB2  PRO  23           2HB      PRO  23 -12.671   6.492  -0.388
  148    HB3  PRO  23           1HB      PRO  23 -12.146   7.250  -1.899
  149    HG2  PRO  23           2HG      PRO  23 -11.551   4.508  -0.891
  150    HG3  PRO  23           1HG      PRO  23 -12.047   5.035  -2.512
  151    HD2  PRO  23           2HD      PRO  23  -9.500   4.478  -1.890
  152    HD3  PRO  23           1HD      PRO  23  -9.919   5.737  -3.065
  153    H    PHE  24           H        PHE  24  -9.628   5.266   0.800
  154    HA   PHE  24           HA       PHE  24 -10.883   5.772   3.350
  155    HB2  PHE  24           2HB      PHE  24  -9.473   3.540   3.794
  156    HB3  PHE  24           1HB      PHE  24 -11.038   3.523   2.983
  157    HD1  PHE  24           1HD      PHE  24  -7.380   3.338   2.470
  158    HD2  PHE  24           2HD      PHE  24 -11.239   2.930   0.727
  159    HE1  PHE  24           1HE      PHE  24  -6.381   2.299   0.482
  160    HE2  PHE  24           2HE      PHE  24 -10.266   1.918  -1.250
  161    HZ   PHE  24           HZ       PHE  24  -7.826   1.582  -1.389
  162    H    CYS  25           H        CYS  25  -8.131   6.778   1.853
  163    HA   CYS  25           HA       CYS  25  -6.581   6.856   4.330
  164    HB2  CYS  25           2HB      CYS  25  -5.683   7.249   1.482
  165    HB3  CYS  25           1HB      CYS  25  -4.649   7.266   2.908
  166    H    HIS  26           H        HIS  26  -7.014   8.697   5.337
  167    HA   HIS  26           HA       HIS  26  -7.192  11.110   3.709
  168    HB2  HIS  26           2HB      HIS  26  -7.909  10.619   6.630
  169    HB3  HIS  26           1HB      HIS  26  -8.014  12.182   5.838
  170    HD1  HIS  26           1HD      HIS  26 -10.520  12.599   5.740
  171    HD2  HIS  26           2HD      HIS  26  -9.514   8.740   4.567
  172    HE1  HIS  26           1HE      HIS  26 -12.652  11.540   4.940
  173    H    CYS  27           H        CYS  27  -5.166  11.609   3.302
  174    HA   CYS  27           HA       CYS  27  -3.233  11.344   5.458
  175    HB2  CYS  27           2HB      CYS  27  -2.645  11.830   2.541
  176    HB3  CYS  27           1HB      CYS  27  -1.517  11.295   3.783
  177    H    ARG  28           H        ARG  28  -4.950  13.451   3.757
  178    HA   ARG  28           HA       ARG  28  -5.075  15.669   3.391
  179    HB2  ARG  28           2HB      ARG  28  -5.659  15.254   5.775
  180    HB3  ARG  28           1HB      ARG  28  -4.028  15.751   6.193
  181    HG2  ARG  28           2HG      ARG  28  -5.595  17.485   6.568
  182    HG3  ARG  28           1HG      ARG  28  -4.461  17.948   5.283
  183    HD2  ARG  28           2HD      ARG  28  -7.191  16.785   4.761
  184    HD3  ARG  28           1HD      ARG  28  -6.940  18.530   4.914
  185    HE   ARG  28           HE       ARG  28  -5.218  17.983   3.009
  186   HH11  ARG  28          1HH1      ARG  28  -8.562  16.883   3.318
  187   HH12  ARG  28          2HH1      ARG  28  -8.757  16.592   1.647
  188   HH21  ARG  28          1HH2      ARG  28  -5.509  17.629   0.758
  189   HH22  ARG  28          2HH2      ARG  28  -6.993  17.052   0.150
  190    HN1  NH2  29           1H       ARG  28  -3.437  15.817   1.829
  191    HN2  NH2  29           2H       ARG  28  -1.955  16.639   2.189
  Start of MODEL    5
    1    H1   HIS   1           1HT      HIS   1   3.731 -13.547  -3.912
    2    H2   HIS   1           2HT      HIS   1   3.712 -11.916  -4.350
    3    H3   HIS   1           3HT      HIS   1   2.451 -12.565  -3.423
    4    HA   HIS   1           HA       HIS   1   5.257 -12.372  -2.561
    5    HB2  HIS   1           2HB      HIS   1   2.826 -10.772  -1.729
    6    HB3  HIS   1           1HB      HIS   1   4.394 -10.688  -0.947
    7    HD1  HIS   1           1HD      HIS   1   6.401  -9.826  -2.688
    8    HD2  HIS   1           2HD      HIS   1   2.453  -8.989  -3.650
    9    HE1  HIS   1           1HE      HIS   1   6.491  -7.989  -4.392
   10    H    GLY   2           H        GLY   2   5.720 -13.595  -0.834
   11    HA2  GLY   2           2HA      GLY   2   3.809 -15.434   0.201
   12    HA3  GLY   2           1HA      GLY   2   5.421 -15.137   0.855
   13    H    GLU   3           H        GLU   3   5.239 -12.463   1.314
   14    HA   GLU   3           HA       GLU   3   2.856 -11.933   2.848
   15    HB2  GLU   3           2HB      GLU   3   4.533 -12.849   4.471
   16    HB3  GLU   3           1HB      GLU   3   5.643 -11.570   3.994
   17    HG2  GLU   3           2HG      GLU   3   4.089  -9.892   4.798
   18    HG3  GLU   3           1HG      GLU   3   2.936 -11.148   5.226
   19    H    GLY   4           H        GLY   4   2.589  -9.614   3.113
   20    HA2  GLY   4           2HA      GLY   4   3.018  -7.382   2.533
   21    HA3  GLY   4           1HA      GLY   4   4.455  -7.918   1.661
   22    H    THR   5           H        THR   5   1.139  -8.964   1.492
   23    HA   THR   5           HA       THR   5   1.157  -9.273  -1.315
   24    HB   THR   5           HB       THR   5  -1.184  -9.167   0.586
   25    HG1  THR   5           1HG      THR   5  -0.262 -11.653  -0.046
   26   HG21  THR   5          3HG2      THR   5  -0.793 -10.617  -2.054
   27   HG22  THR   5          1HG2      THR   5  -1.794  -9.184  -1.803
   28   HG23  THR   5          2HG2      THR   5  -2.230 -10.708  -1.033
   29    H    PHE   6           H        PHE   6   0.225  -6.705   0.879
   30    HA   PHE   6           HA       PHE   6  -0.831  -5.279  -1.428
   31    HB2  PHE   6           2HB      PHE   6  -2.442  -6.088   0.456
   32    HB3  PHE   6           1HB      PHE   6  -1.767  -4.716   1.338
   33    HD1  PHE   6           2HD      PHE   6  -3.011  -5.407  -2.085
   34    HD2  PHE   6           1HD      PHE   6  -3.053  -2.801   1.262
   35    HE1  PHE   6           2HE      PHE   6  -4.583  -3.978  -3.255
   36    HE2  PHE   6           1HE      PHE   6  -4.657  -1.335   0.096
   37    HZ   PHE   6           HZ       PHE   6  -5.428  -1.918  -2.172
   38    H    THR   7           H        THR   7   0.721  -3.972  -1.927
   39    HA   THR   7           HA       THR   7   2.244  -2.597   0.139
   40    HB   THR   7           HB       THR   7   3.422  -3.596  -1.870
   41    HG1  THR   7           1HG      THR   7   4.755  -2.180  -1.122
   42   HG21  THR   7          3HG2      THR   7   1.772  -3.052  -3.587
   43   HG22  THR   7          1HG2      THR   7   3.339  -2.364  -4.016
   44   HG23  THR   7          2HG2      THR   7   2.068  -1.331  -3.354
   45    H    SER   8           H        SER   8  -0.440  -2.186  -1.891
   46    HA   SER   8           HA       SER   8  -0.413   0.676  -1.890
   47    HB2  SER   8           2HB      SER   8  -2.571  -1.289  -2.687
   48    HB3  SER   8           1HB      SER   8  -2.538   0.434  -3.073
   49    HG   SER   8           HG       SER   8  -0.657   0.082  -4.289
   50    H    ASP   9           H        ASP   9  -0.399  -0.828   0.595
   51    HA   ASP   9           HA       ASP   9  -2.771  -0.871   2.089
   52    HB2  ASP   9           2HB      ASP   9  -0.572  -1.857   2.715
   53    HB3  ASP   9           1HB      ASP   9  -0.043  -0.188   2.974
   54    H    CYS  10           H        CYS  10  -3.812   0.639   3.290
   55    HA   CYS  10           HA       CYS  10  -3.787   3.278   2.474
   56    HB2  CYS  10           2HB      CYS  10  -5.677   2.032   3.611
   57    HB3  CYS  10           1HB      CYS  10  -4.854   2.364   5.135
   58    H    SER  11           H        SER  11  -2.005   1.783   5.180
   59    HA   SER  11           HA       SER  11  -1.449   4.278   6.390
   60    HB2  SER  11           2HB      SER  11  -0.067   1.617   6.726
   61    HB3  SER  11           1HB      SER  11   0.154   3.020   7.772
   62    HG   SER  11           HG       SER  11  -2.457   2.074   7.339
   63    H    LYS  12           H        LYS  12   0.081   2.283   4.011
   64    HA   LYS  12           HA       LYS  12   2.562   3.636   3.982
   65    HB2  LYS  12           2HB      LYS  12   1.253   1.981   1.848
   66    HB3  LYS  12           1HB      LYS  12   2.949   2.468   1.878
   67    HG2  LYS  12           2HG      LYS  12   3.283   1.291   3.926
   68    HG3  LYS  12           1HG      LYS  12   1.581   0.852   3.976
   69    HD2  LYS  12           2HD      LYS  12   1.910  -0.330   1.818
   70    HD3  LYS  12           1HD      LYS  12   3.643  -0.011   1.983
   71    HE2  LYS  12           2HE      LYS  12   1.961  -1.226   4.038
   72    HE3  LYS  12           1HE      LYS  12   2.853  -2.243   2.872
   73    HZ1  LYS  12           3HZ      LYS  12   4.916  -1.138   3.786
   74    HZ2  LYS  12           1HZ      LYS  12   4.095  -2.033   4.958
   75    HZ3  LYS  12           2HZ      LYS  12   3.963  -0.358   4.916
   76    H    GLN  13           H        GLN  13  -0.450   3.901   2.251
   77    HA   GLN  13           HA       GLN  13   0.373   5.815   0.372
   78    HB2  GLN  13           2HB      GLN  13  -2.411   5.653   1.503
   79    HB3  GLN  13           1HB      GLN  13  -1.926   6.239  -0.082
   80    HG2  GLN  13           2HG      GLN  13  -1.891   3.404   0.918
   81    HG3  GLN  13           1HG      GLN  13  -2.915   4.092  -0.331
   82   HE21  GLN  13          1HE2      GLN  13  -2.260   2.533  -1.757
   83   HE22  GLN  13          2HE2      GLN  13  -0.674   2.484  -2.449
   84    H    CYS  14           H        CYS  14  -0.826   6.163   3.638
   85    HA   CYS  14           HA       CYS  14  -0.786   9.007   3.578
   86    HB2  CYS  14           2HB      CYS  14  -0.782   7.064   5.890
   87    HB3  CYS  14           1HB      CYS  14  -0.915   8.813   6.063
   88    H    GLU  15           H        GLU  15   1.501   6.489   4.432
   89    HA   GLU  15           HA       GLU  15   3.501   8.105   5.587
   90    HB2  GLU  15           2HB      GLU  15   3.388   5.688   5.859
   91    HB3  GLU  15           1HB      GLU  15   3.609   5.468   4.134
   92    HG2  GLU  15           2HG      GLU  15   5.842   6.350   4.289
   93    HG3  GLU  15           1HG      GLU  15   5.636   6.616   6.025
   94    H    GLU  16           H        GLU  16   2.834   7.090   2.280
   95    HA   GLU  16           HA       GLU  16   5.104   8.363   1.111
   96    HB2  GLU  16           2HB      GLU  16   2.464   7.512  -0.107
   97    HB3  GLU  16           1HB      GLU  16   3.847   8.068  -1.028
   98    HG2  GLU  16           2HG      GLU  16   3.770   5.590   0.685
   99    HG3  GLU  16           1HG      GLU  16   3.574   5.627  -1.062
  100    H    GLY  17           H        GLY  17   1.938   9.315   2.074
  101    HA2  GLY  17           2HA      GLY  17   1.092  11.444   2.343
  102    HA3  GLY  17           1HA      GLY  17   2.520  12.087   1.536
  103    H    ILE  18           H        ILE  18   0.433   9.581   0.295
  104    HA   ILE  18           HA       ILE  18  -0.127  11.344  -1.976
  105    HB   ILE  18           HB       ILE  18  -0.538   8.323  -1.863
  106   HG12  ILE  18          2HG1      ILE  18   1.696   9.879  -3.167
  107   HG13  ILE  18          1HG1      ILE  18   1.849   8.934  -1.683
  108   HG21  ILE  18          1HG2      ILE  18  -0.645   8.525  -4.335
  109   HG22  ILE  18          2HG2      ILE  18  -0.585  10.280  -4.173
  110   HG23  ILE  18          3HG2      ILE  18  -1.954   9.377  -3.528
  111   HD11  ILE  18          3HD1      ILE  18   1.314   6.911  -2.935
  112   HD12  ILE  18          1HD1      ILE  18   2.725   7.727  -3.613
  113   HD13  ILE  18          2HD1      ILE  18   1.150   7.866  -4.405
  114    H    GLY  19           H        GLY  19  -1.996   8.580  -0.781
  115    HA2  GLY  19           2HA      GLY  19  -4.152   8.463   0.065
  116    HA3  GLY  19           1HA      GLY  19  -4.141  10.210   0.215
  117    H    HIS  20           H        HIS  20  -3.288   9.991  -2.781
  118    HA   HIS  20           HA       HIS  20  -5.916  10.434  -3.855
  119    HB2  HIS  20           2HB      HIS  20  -3.903  11.776  -4.479
  120    HB3  HIS  20           1HB      HIS  20  -3.246  10.299  -5.191
  121    HD1  HIS  20           1HD      HIS  20  -3.544  10.278  -7.696
  122    HD2  HIS  20           2HD      HIS  20  -6.589  12.329  -5.758
  123    HE1  HIS  20           1HE      HIS  20  -5.087  11.103  -9.512
  124    H    LYS  21           H        LYS  21  -7.110   8.940  -4.738
  125    HA   LYS  21           HA       LYS  21  -7.869   7.108  -5.810
  126    HB2  LYS  21           2HB      LYS  21  -4.988   6.229  -6.183
  127    HB3  LYS  21           1HB      LYS  21  -6.395   5.438  -6.871
  128    HG2  LYS  21           2HG      LYS  21  -6.867   7.462  -8.181
  129    HG3  LYS  21           1HG      LYS  21  -5.417   8.214  -7.518
  130    HD2  LYS  21           2HD      LYS  21  -4.865   7.346  -9.688
  131    HD3  LYS  21           1HD      LYS  21  -4.090   6.329  -8.481
  132    HE2  LYS  21           2HE      LYS  21  -5.071   4.969 -10.249
  133    HE3  LYS  21           1HE      LYS  21  -5.881   4.666  -8.722
  134    HZ1  LYS  21           3HZ      LYS  21  -7.699   6.131  -9.463
  135    HZ2  LYS  21           1HZ      LYS  21  -7.446   4.861 -10.533
  136    HZ3  LYS  21           2HZ      LYS  21  -6.903   6.392 -10.925
  137    H    TYR  22           H        TYR  22  -6.848   7.513  -3.025
  138    HA   TYR  22           HA       TYR  22  -7.459   4.792  -2.169
  139    HB2  TYR  22           2HB      TYR  22  -5.559   6.624  -0.660
  140    HB3  TYR  22           1HB      TYR  22  -5.789   4.893  -0.431
  141    HD1  TYR  22           2HD      TYR  22  -5.422   3.618  -2.860
  142    HD2  TYR  22           1HD      TYR  22  -3.507   7.154  -1.564
  143    HE1  TYR  22           2HE      TYR  22  -3.644   3.207  -4.466
  144    HE2  TYR  22           1HE      TYR  22  -1.714   6.821  -3.201
  145    HH   TYR  22           HH       TYR  22  -0.688   4.868  -4.434
  146    HA   PRO  23           HA       PRO  23 -10.574   7.954  -1.103
  147    HB2  PRO  23           2HB      PRO  23 -12.654   6.233  -0.790
  148    HB3  PRO  23           1HB      PRO  23 -12.074   6.794  -2.360
  149    HG2  PRO  23           2HG      PRO  23 -11.486   4.232  -0.941
  150    HG3  PRO  23           1HG      PRO  23 -11.881   4.504  -2.646
  151    HD2  PRO  23           2HD      PRO  23  -9.352   4.110  -1.807
  152    HD3  PRO  23           1HD      PRO  23  -9.719   5.187  -3.161
  153    H    PHE  24           H        PHE  24  -9.282   5.678   0.912
  154    HA   PHE  24           HA       PHE  24 -10.805   6.755   3.156
  155    HB2  PHE  24           2HB      PHE  24 -10.168   4.452   4.267
  156    HB3  PHE  24           1HB      PHE  24 -11.560   4.575   3.196
  157    HD1  PHE  24           2HD      PHE  24  -8.044   3.461   3.417
  158    HD2  PHE  24           1HD      PHE  24 -11.638   3.437   1.148
  159    HE1  PHE  24           2HE      PHE  24  -7.104   1.747   1.933
  160    HE2  PHE  24           1HE      PHE  24 -10.712   1.745  -0.334
  161    HZ   PHE  24           HZ       PHE  24  -8.432   0.887   0.052
  162    H    CYS  25           H        CYS  25  -8.062   7.239   1.765
  163    HA   CYS  25           HA       CYS  25  -6.499   7.136   4.242
  164    HB2  CYS  25           2HB      CYS  25  -5.425   7.178   1.426
  165    HB3  CYS  25           1HB      CYS  25  -4.501   6.976   2.909
  166    H    HIS  26           H        HIS  26  -7.448   9.151   4.814
  167    HA   HIS  26           HA       HIS  26  -6.406  11.402   3.273
  168    HB2  HIS  26           2HB      HIS  26  -8.710  11.284   5.232
  169    HB3  HIS  26           1HB      HIS  26  -8.108  12.764   4.492
  170    HD1  HIS  26           1HD      HIS  26 -10.230   9.766   3.802
  171    HD2  HIS  26           2HD      HIS  26  -8.722  13.070   1.784
  172    HE1  HIS  26           1HE      HIS  26 -11.462   9.861   1.614
  173    H    CYS  27           H        CYS  27  -4.463  11.759   4.068
  174    HA   CYS  27           HA       CYS  27  -4.231  12.102   6.974
  175    HB2  CYS  27           2HB      CYS  27  -2.317  10.654   5.152
  176    HB3  CYS  27           1HB      CYS  27  -2.054  11.022   6.857
  177    H    ARG  28           H        ARG  28  -4.563  13.953   4.812
  178    HA   ARG  28           HA       ARG  28  -2.063  15.228   4.232
  179    HB2  ARG  28           2HB      ARG  28  -4.871  16.290   3.926
  180    HB3  ARG  28           1HB      ARG  28  -3.424  16.936   3.165
  181    HG2  ARG  28           2HG      ARG  28  -3.158  14.877   1.899
  182    HG3  ARG  28           1HG      ARG  28  -4.586  14.216   2.697
  183    HD2  ARG  28           2HD      ARG  28  -4.500  16.617   0.897
  184    HD3  ARG  28           1HD      ARG  28  -5.128  15.007   0.511
  185    HE   ARG  28           HE       ARG  28  -6.356  16.284   2.779
  186   HH11  ARG  28          1HH1      ARG  28  -6.550  15.840  -0.746
  187   HH12  ARG  28          2HH1      ARG  28  -8.220  16.181  -0.799
  188   HH21  ARG  28          1HH2      ARG  28  -8.581  16.762   2.658
  189   HH22  ARG  28          2HH2      ARG  28  -9.398  16.741   1.161
  190    HN1  NH2  29           1H       ARG  28  -4.912  16.661   5.765
  191    HN2  NH2  29           2H       ARG  28  -4.037  17.507   6.994
  Start of MODEL    6
    1    H1   HIS   1           1HT      HIS   1  -7.088  -9.521   8.049
    2    H2   HIS   1           2HT      HIS   1  -7.699  -8.794   6.630
    3    H3   HIS   1           3HT      HIS   1  -6.395  -8.121   7.408
    4    HA   HIS   1           HA       HIS   1  -4.979  -9.850   6.876
    5    HB2  HIS   1           2HB      HIS   1  -7.420 -11.152   5.636
    6    HB3  HIS   1           1HB      HIS   1  -5.778 -11.670   5.288
    7    HD1  HIS   1           1HD      HIS   1  -8.502 -12.587   7.382
    8    HD2  HIS   1           2HD      HIS   1  -4.392 -12.282   7.926
    9    HE1  HIS   1           1HE      HIS   1  -7.964 -13.981   9.394
   10    H    GLY   2           H        GLY   2  -4.366 -10.468   4.404
   11    HA2  GLY   2           2HA      GLY   2  -4.327  -9.561   2.184
   12    HA3  GLY   2           1HA      GLY   2  -4.953  -8.043   2.833
   13    H    GLU   3           H        GLU   3  -3.154  -8.588   5.157
   14    HA   GLU   3           HA       GLU   3  -0.992  -6.927   4.484
   15    HB2  GLU   3           2HB      GLU   3  -1.984  -7.187   6.749
   16    HB3  GLU   3           1HB      GLU   3  -1.324  -8.811   6.818
   17    HG2  GLU   3           2HG      GLU   3   0.939  -7.832   6.593
   18    HG3  GLU   3           1HG      GLU   3   0.206  -6.232   6.713
   19    H    GLY   4           H        GLY   4   0.773  -7.496   3.419
   20    HA2  GLY   4           2HA      GLY   4   2.691  -8.974   3.294
   21    HA3  GLY   4           1HA      GLY   4   1.558 -10.324   3.425
   22    H    THR   5           H        THR   5  -0.411  -9.689   1.745
   23    HA   THR   5           HA       THR   5   0.829 -10.087  -0.794
   24    HB   THR   5           HB       THR   5  -2.096  -9.673  -0.103
   25    HG1  THR   5           1HG      THR   5  -1.015 -11.530   0.792
   26   HG21  THR   5          3HG2      THR   5  -2.541 -10.701  -2.304
   27   HG22  THR   5          1HG2      THR   5  -0.809 -10.737  -2.636
   28   HG23  THR   5          2HG2      THR   5  -1.646  -9.192  -2.473
   29    H    PHE   6           H        PHE   6  -1.085  -7.485   0.701
   30    HA   PHE   6           HA       PHE   6  -0.205  -5.793  -1.514
   31    HB2  PHE   6           2HB      PHE   6  -2.717  -6.126  -0.834
   32    HB3  PHE   6           1HB      PHE   6  -2.307  -4.990   0.452
   33    HD1  PHE   6           2HD      PHE   6  -2.565  -5.461  -3.153
   34    HD2  PHE   6           1HD      PHE   6  -2.000  -2.657  -0.025
   35    HE1  PHE   6           2HE      PHE   6  -2.913  -3.662  -4.746
   36    HE2  PHE   6           1HE      PHE   6  -2.353  -0.812  -1.616
   37    HZ   PHE   6           HZ       PHE   6  -2.810  -1.301  -3.986
   38    H    THR   7           H        THR   7   1.572  -4.802  -0.977
   39    HA   THR   7           HA       THR   7   2.155  -4.227   1.804
   40    HB   THR   7           HB       THR   7   3.896  -5.313   0.390
   41    HG1  THR   7           1HG      THR   7   5.289  -4.415   1.614
   42   HG21  THR   7          3HG2      THR   7   3.468  -4.170  -1.726
   43   HG22  THR   7          1HG2      THR   7   5.155  -3.960  -1.251
   44   HG23  THR   7          2HG2      THR   7   3.997  -2.645  -1.025
   45    H    SER   8           H        SER   8   1.151  -2.585  -1.073
   46    HA   SER   8           HA       SER   8   1.896   0.061  -0.199
   47    HB2  SER   8           2HB      SER   8   0.066  -0.864  -2.429
   48    HB3  SER   8           1HB      SER   8   0.735   0.758  -2.239
   49    HG   SER   8           HG       SER   8   2.798  -0.704  -2.127
   50    H    ASP   9           H        ASP   9   0.526  -1.099   1.755
   51    HA   ASP   9           HA       ASP   9  -2.289  -0.907   1.874
   52    HB2  ASP   9           2HB      ASP   9  -1.045  -2.264   3.427
   53    HB3  ASP   9           1HB      ASP   9  -0.196  -0.851   4.047
   54    H    CYS  10           H        CYS  10  -3.539   0.529   3.261
   55    HA   CYS  10           HA       CYS  10  -3.582   3.162   2.616
   56    HB2  CYS  10           2HB      CYS  10  -5.408   1.844   3.660
   57    HB3  CYS  10           1HB      CYS  10  -4.554   1.943   5.196
   58    H    SER  11           H        SER  11  -1.875   1.634   5.337
   59    HA   SER  11           HA       SER  11  -1.161   3.901   6.778
   60    HB2  SER  11           2HB      SER  11   0.815   2.425   7.479
   61    HB3  SER  11           1HB      SER  11  -0.801   1.774   7.767
   62    HG   SER  11           HG       SER  11  -0.584   0.401   6.125
   63    H    LYS  12           H        LYS  12   0.423   2.342   4.073
   64    HA   LYS  12           HA       LYS  12   2.678   4.069   3.961
   65    HB2  LYS  12           2HB      LYS  12   1.495   2.230   1.862
   66    HB3  LYS  12           1HB      LYS  12   2.954   3.167   1.601
   67    HG2  LYS  12           2HG      LYS  12   3.533   0.903   2.153
   68    HG3  LYS  12           1HG      LYS  12   4.021   1.963   3.473
   69    HD2  LYS  12           2HD      LYS  12   1.944   1.327   4.675
   70    HD3  LYS  12           1HD      LYS  12   1.585   0.193   3.370
   71    HE2  LYS  12           2HE      LYS  12   3.579  -0.987   3.792
   72    HE3  LYS  12           1HE      LYS  12   4.059   0.203   5.019
   73    HZ1  LYS  12           3HZ      LYS  12   2.153  -0.462   6.343
   74    HZ2  LYS  12           1HZ      LYS  12   3.138  -1.789   6.070
   75    HZ3  LYS  12           2HZ      LYS  12   1.699  -1.635   5.229
   76    H    GLN  13           H        GLN  13  -0.262   3.780   2.094
   77    HA   GLN  13           HA       GLN  13  -0.152   5.788   0.332
   78    HB2  GLN  13           2HB      GLN  13  -2.429   4.876   1.995
   79    HB3  GLN  13           1HB      GLN  13  -2.608   5.970   0.622
   80    HG2  GLN  13           2HG      GLN  13  -1.732   4.390  -0.874
   81    HG3  GLN  13           1HG      GLN  13  -1.224   3.333   0.442
   82   HE21  GLN  13          1HE2      GLN  13  -2.346   1.682  -0.352
   83   HE22  GLN  13          2HE2      GLN  13  -4.058   1.635  -0.244
   84    H    CYS  14           H        CYS  14  -1.252   5.969   3.673
   85    HA   CYS  14           HA       CYS  14  -1.773   8.701   3.807
   86    HB2  CYS  14           2HB      CYS  14  -1.456   6.529   5.810
   87    HB3  CYS  14           1HB      CYS  14  -1.579   8.191   6.365
   88    H    GLU  15           H        GLU  15   1.125   6.872   4.866
   89    HA   GLU  15           HA       GLU  15   2.318   9.245   5.872
   90    HB2  GLU  15           2HB      GLU  15   3.612   6.604   5.207
   91    HB3  GLU  15           1HB      GLU  15   4.375   7.906   6.111
   92    HG2  GLU  15           2HG      GLU  15   2.024   6.221   6.930
   93    HG3  GLU  15           1HG      GLU  15   3.619   6.292   7.674
   94    H    GLU  16           H        GLU  16   2.480   7.580   2.811
   95    HA   GLU  16           HA       GLU  16   4.529   9.135   1.618
   96    HB2  GLU  16           2HB      GLU  16   2.121   7.806   0.352
   97    HB3  GLU  16           1HB      GLU  16   3.492   8.441  -0.540
   98    HG2  GLU  16           2HG      GLU  16   3.606   6.164   1.432
   99    HG3  GLU  16           1HG      GLU  16   3.459   5.981  -0.310
  100    H    GLY  17           H        GLY  17   1.115   9.600   2.177
  101    HA2  GLY  17           2HA      GLY  17  -0.109  11.552   2.222
  102    HA3  GLY  17           1HA      GLY  17   1.303  12.419   1.626
  103    H    ILE  18           H        ILE  18  -0.222   9.619   0.211
  104    HA   ILE  18           HA       ILE  18  -0.300  11.085  -2.298
  105    HB   ILE  18           HB       ILE  18  -0.956   8.148  -1.830
  106   HG12  ILE  18          2HG1      ILE  18   1.536   9.413  -2.934
  107   HG13  ILE  18          1HG1      ILE  18   1.387   8.792  -1.289
  108   HG21  ILE  18          1HG2      ILE  18  -1.962   9.021  -3.903
  109   HG22  ILE  18          2HG2      ILE  18  -0.616   7.951  -4.279
  110   HG23  ILE  18          3HG2      ILE  18  -0.405   9.696  -4.377
  111   HD11  ILE  18          3HD1      ILE  18   1.003   6.562  -2.209
  112   HD12  ILE  18          1HD1      ILE  18   2.551   7.226  -2.734
  113   HD13  ILE  18          2HD1      ILE  18   1.172   7.214  -3.838
  114    H    GLY  19           H        GLY  19  -2.635   8.811  -0.848
  115    HA2  GLY  19           2HA      GLY  19  -4.917   8.951  -0.568
  116    HA3  GLY  19           1HA      GLY  19  -4.764  10.686  -0.737
  117    H    HIS  20           H        HIS  20  -3.413   9.588  -3.398
  118    HA   HIS  20           HA       HIS  20  -5.559  10.387  -5.059
  119    HB2  HIS  20           2HB      HIS  20  -3.130  10.768  -5.605
  120    HB3  HIS  20           1HB      HIS  20  -2.982   9.041  -5.895
  121    HD1  HIS  20           1HD      HIS  20  -4.350  12.186  -7.424
  122    HD2  HIS  20           2HD      HIS  20  -4.068   8.131  -8.298
  123    HE1  HIS  20           1HE      HIS  20  -5.048  11.934  -9.837
  124    H    LYS  21           H        LYS  21  -7.246   9.239  -5.415
  125    HA   LYS  21           HA       LYS  21  -8.626   7.596  -5.927
  126    HB2  LYS  21           2HB      LYS  21  -6.171   5.973  -6.648
  127    HB3  LYS  21           1HB      LYS  21  -7.818   5.458  -6.948
  128    HG2  LYS  21           2HG      LYS  21  -6.385   7.804  -8.205
  129    HG3  LYS  21           1HG      LYS  21  -6.861   6.302  -8.993
  130    HD2  LYS  21           2HD      LYS  21  -8.735   8.377  -7.851
  131    HD3  LYS  21           1HD      LYS  21  -8.374   8.151  -9.558
  132    HE2  LYS  21           2HE      LYS  21  -9.371   5.953  -9.520
  133    HE3  LYS  21           1HE      LYS  21  -9.622   6.053  -7.783
  134    HZ1  LYS  21           3HZ      LYS  21 -11.147   7.935  -8.193
  135    HZ2  LYS  21           1HZ      LYS  21 -11.651   6.519  -8.962
  136    HZ3  LYS  21           2HZ      LYS  21 -10.928   7.733  -9.852
  137    H    TYR  22           H        TYR  22  -7.215   7.950  -3.302
  138    HA   TYR  22           HA       TYR  22  -8.110   5.402  -2.139
  139    HB2  TYR  22           2HB      TYR  22  -6.001   7.153  -0.832
  140    HB3  TYR  22           1HB      TYR  22  -6.413   5.489  -0.459
  141    HD1  TYR  22           2HD      TYR  22  -6.348   4.359  -3.223
  142    HD2  TYR  22           1HD      TYR  22  -3.662   6.992  -1.244
  143    HE1  TYR  22           2HE      TYR  22  -4.618   3.652  -4.691
  144    HE2  TYR  22           1HE      TYR  22  -1.878   6.324  -2.749
  145    HH   TYR  22           HH       TYR  22  -1.299   4.349  -4.137
  146    HA   PRO  23           HA       PRO  23 -10.713   9.005  -0.875
  147    HB2  PRO  23           2HB      PRO  23 -13.005   7.542  -0.550
  148    HB3  PRO  23           1HB      PRO  23 -12.478   8.197  -2.101
  149    HG2  PRO  23           2HG      PRO  23 -12.220   5.432  -1.035
  150    HG3  PRO  23           1HG      PRO  23 -12.603   5.972  -2.676
  151    HD2  PRO  23           2HD      PRO  23 -10.143   5.090  -1.946
  152    HD3  PRO  23           1HD      PRO  23 -10.378   6.302  -3.210
  153    H    PHE  24           H        PHE  24 -10.088   6.034   0.628
  154    HA   PHE  24           HA       PHE  24 -11.145   6.954   3.175
  155    HB2  PHE  24           2HB      PHE  24 -10.600   4.449   3.780
  156    HB3  PHE  24           1HB      PHE  24 -12.047   4.856   2.866
  157    HD1  PHE  24           1HD      PHE  24  -8.635   3.478   2.614
  158    HD2  PHE  24           2HD      PHE  24 -12.325   4.154   0.634
  159    HE1  PHE  24           1HE      PHE  24  -7.925   2.021   0.801
  160    HE2  PHE  24           2HE      PHE  24 -11.636   2.708  -1.196
  161    HZ   PHE  24           HZ       PHE  24  -9.413   1.616  -1.132
  162    H    CYS  25           H        CYS  25  -8.358   7.373   1.644
  163    HA   CYS  25           HA       CYS  25  -6.852   7.128   4.120
  164    HB2  CYS  25           2HB      CYS  25  -5.768   6.286   1.430
  165    HB3  CYS  25           1HB      CYS  25  -4.884   6.300   2.950
  166    H    HIS  26           H        HIS  26  -7.524   9.383   4.059
  167    HA   HIS  26           HA       HIS  26  -5.706  11.000   2.420
  168    HB2  HIS  26           2HB      HIS  26  -8.192  11.861   3.945
  169    HB3  HIS  26           1HB      HIS  26  -7.140  12.940   3.047
  170    HD1  HIS  26           1HD      HIS  26 -10.322  12.107   2.602
  171    HD2  HIS  26           2HD      HIS  26  -7.005  11.220   0.254
  172    HE1  HIS  26           1HE      HIS  26 -11.204  11.694   0.283
  173    H    CYS  27           H        CYS  27  -3.849  11.057   3.607
  174    HA   CYS  27           HA       CYS  27  -4.095  12.080   6.334
  175    HB2  CYS  27           2HB      CYS  27  -2.268   9.836   5.539
  176    HB3  CYS  27           1HB      CYS  27  -2.486  10.483   7.155
  177    H    ARG  28           H        ARG  28  -1.958  12.912   7.083
  178    HA   ARG  28           HA       ARG  28  -0.298  13.707   4.832
  179    HB2  ARG  28           2HB      ARG  28   0.250  15.754   6.216
  180    HB3  ARG  28           1HB      ARG  28  -1.377  15.681   5.567
  181    HG2  ARG  28           2HG      ARG  28  -2.245  15.033   7.742
  182    HG3  ARG  28           1HG      ARG  28  -0.608  14.994   8.403
  183    HD2  ARG  28           2HD      ARG  28  -1.946  17.412   7.222
  184    HD3  ARG  28           1HD      ARG  28  -1.833  17.070   8.949
  185    HE   ARG  28           HE       ARG  28   0.573  17.225   8.737
  186   HH11  ARG  28          1HH1      ARG  28  -1.329  18.710   6.104
  187   HH12  ARG  28          2HH1      ARG  28  -0.072  19.735   5.618
  188   HH21  ARG  28          1HH2      ARG  28   2.259  18.711   8.049
  189   HH22  ARG  28          2HH2      ARG  28   1.988  19.758   6.737
  190    HN1  NH2  29           1H       ARG  28   1.056  11.984   5.054
  191    HN2  NH2  29           2H       ARG  28   2.146  11.808   6.383
  Start of MODEL    7
    1    H1   HIS   1           1HT      HIS   1  10.356   4.135   4.177
    2    H2   HIS   1           2HT      HIS   1  11.390   4.813   5.328
    3    H3   HIS   1           3HT      HIS   1   9.721   4.660   5.639
    4    HA   HIS   1           HA       HIS   1  11.527   2.399   5.192
    5    HB2  HIS   1           2HB      HIS   1  10.358   3.493   7.771
    6    HB3  HIS   1           1HB      HIS   1  11.043   1.887   7.622
    7    HD1  HIS   1           1HD      HIS   1  11.931   5.268   8.577
    8    HD2  HIS   1           2HD      HIS   1  13.884   2.027   6.842
    9    HE1  HIS   1           1HE      HIS   1  14.382   5.656   8.941
   10    H    GLY   2           H        GLY   2  10.512   0.383   5.594
   11    HA2  GLY   2           2HA      GLY   2   8.321  -0.611   6.221
   12    HA3  GLY   2           1HA      GLY   2   7.650   0.487   5.010
   13    H    GLU   3           H        GLU   3   7.177  -2.058   4.565
   14    HA   GLU   3           HA       GLU   3   9.255  -2.970   2.741
   15    HB2  GLU   3           2HB      GLU   3   6.892  -4.377   3.967
   16    HB3  GLU   3           1HB      GLU   3   7.842  -5.077   2.667
   17    HG2  GLU   3           2HG      GLU   3   8.876  -4.291   5.379
   18    HG3  GLU   3           1HG      GLU   3   8.520  -5.932   4.841
   19    H    GLY   4           H        GLY   4   8.299  -4.096   0.783
   20    HA2  GLY   4           2HA      GLY   4   6.207  -2.401  -0.380
   21    HA3  GLY   4           1HA      GLY   4   7.520  -3.151  -1.296
   22    H    THR   5           H        THR   5   5.500  -4.431   1.251
   23    HA   THR   5           HA       THR   5   5.052  -6.869  -0.178
   24    HB   THR   5           HB       THR   5   3.936  -5.906   2.455
   25    HG1  THR   5           1HG      THR   5   6.156  -7.620   2.266
   26   HG21  THR   5          3HG2      THR   5   4.333  -8.696   1.339
   27   HG22  THR   5          1HG2      THR   5   2.787  -7.872   1.544
   28   HG23  THR   5          2HG2      THR   5   3.740  -8.319   2.958
   29    H    PHE   6           H        PHE   6   3.202  -4.077   0.945
   30    HA   PHE   6           HA       PHE   6   0.888  -5.055  -0.566
   31    HB2  PHE   6           2HB      PHE   6   0.938  -5.398   1.993
   32    HB3  PHE   6           1HB      PHE   6   0.720  -3.653   2.062
   33    HD1  PHE   6           1HD      PHE   6  -0.757  -6.595   0.359
   34    HD2  PHE   6           2HD      PHE   6  -1.436  -2.911   2.343
   35    HE1  PHE   6           1HE      PHE   6  -3.152  -6.980   0.219
   36    HE2  PHE   6           2HE      PHE   6  -3.854  -3.272   2.202
   37    HZ   PHE   6           HZ       PHE   6  -4.731  -5.315   1.138
   38    H    THR   7           H        THR   7   0.768  -3.609  -2.130
   39    HA   THR   7           HA       THR   7   1.666  -0.903  -1.807
   40    HB   THR   7           HB       THR   7   1.980  -2.018  -3.994
   41    HG1  THR   7           1HG      THR   7   1.832   0.213  -4.000
   42   HG21  THR   7          3HG2      THR   7  -0.058  -3.381  -4.060
   43   HG22  THR   7          1HG2      THR   7   0.070  -2.387  -5.512
   44   HG23  THR   7          2HG2      THR   7  -1.036  -1.925  -4.217
   45    H    SER   8           H        SER   8  -1.331  -2.535  -1.479
   46    HA   SER   8           HA       SER   8  -2.938  -0.155  -1.713
   47    HB2  SER   8           2HB      SER   8  -3.674  -2.943  -0.827
   48    HB3  SER   8           1HB      SER   8  -4.773  -1.671  -1.372
   49    HG   SER   8           HG       SER   8  -4.071  -3.354  -2.932
   50    H    ASP   9           H        ASP   9  -0.812  -0.709   0.498
   51    HA   ASP   9           HA       ASP   9  -2.326  -0.858   2.931
   52    HB2  ASP   9           2HB      ASP   9   0.123  -1.573   2.818
   53    HB3  ASP   9           1HB      ASP   9   0.462   0.157   2.597
   54    H    CYS  10           H        CYS  10  -3.520   0.694   3.612
   55    HA   CYS  10           HA       CYS  10  -3.527   3.257   2.500
   56    HB2  CYS  10           2HB      CYS  10  -5.474   2.069   3.545
   57    HB3  CYS  10           1HB      CYS  10  -4.766   2.421   5.119
   58    H    SER  11           H        SER  11  -1.928   1.909   5.331
   59    HA   SER  11           HA       SER  11  -1.245   4.324   6.494
   60    HB2  SER  11           2HB      SER  11   0.290   1.718   6.592
   61    HB3  SER  11           1HB      SER  11   0.430   3.048   7.743
   62    HG   SER  11           HG       SER  11  -1.454   2.554   8.600
   63    H    LYS  12           H        LYS  12   0.382   2.296   4.122
   64    HA   LYS  12           HA       LYS  12   2.796   3.655   3.791
   65    HB2  LYS  12           2HB      LYS  12   2.343   1.472   2.914
   66    HB3  LYS  12           1HB      LYS  12   1.123   2.138   1.839
   67    HG2  LYS  12           2HG      LYS  12   2.819   3.421   0.676
   68    HG3  LYS  12           1HG      LYS  12   4.056   2.774   1.758
   69    HD2  LYS  12           2HD      LYS  12   2.237   1.088   0.158
   70    HD3  LYS  12           1HD      LYS  12   3.802   1.648  -0.481
   71    HE2  LYS  12           2HE      LYS  12   3.311  -0.099   1.952
   72    HE3  LYS  12           1HE      LYS  12   4.007  -0.616   0.421
   73    HZ1  LYS  12           3HZ      LYS  12   5.839   0.994   0.843
   74    HZ2  LYS  12           1HZ      LYS  12   5.755  -0.273   1.955
   75    HZ3  LYS  12           2HZ      LYS  12   5.202   1.256   2.377
   76    H    GLN  13           H        GLN  13  -0.311   4.078   2.123
   77    HA   GLN  13           HA       GLN  13   0.679   5.944   0.321
   78    HB2  GLN  13           2HB      GLN  13  -2.155   5.411   1.187
   79    HB3  GLN  13           1HB      GLN  13  -1.665   6.286  -0.264
   80    HG2  GLN  13           2HG      GLN  13  -1.141   3.375   0.348
   81    HG3  GLN  13           1HG      GLN  13  -2.243   4.023  -0.868
   82   HE21  GLN  13          1HE2      GLN  13   0.077   2.224  -1.175
   83   HE22  GLN  13          2HE2      GLN  13   1.158   3.039  -2.244
   84    H    CYS  14           H        CYS  14  -0.631   6.291   3.546
   85    HA   CYS  14           HA       CYS  14  -0.624   9.144   3.227
   86    HB2  CYS  14           2HB      CYS  14  -1.262   7.416   5.602
   87    HB3  CYS  14           1HB      CYS  14  -1.148   9.172   5.720
   88    H    GLU  15           H        GLU  15   1.537   6.749   4.580
   89    HA   GLU  15           HA       GLU  15   3.250   8.591   5.877
   90    HB2  GLU  15           2HB      GLU  15   3.864   5.870   4.715
   91    HB3  GLU  15           1HB      GLU  15   4.930   6.777   5.775
   92    HG2  GLU  15           2HG      GLU  15   2.192   5.764   6.492
   93    HG3  GLU  15           1HG      GLU  15   3.713   5.016   6.958
   94    H    GLU  16           H        GLU  16   3.115   7.335   2.576
   95    HA   GLU  16           HA       GLU  16   5.432   8.761   1.721
   96    HB2  GLU  16           2HB      GLU  16   3.104   7.690   0.106
   97    HB3  GLU  16           1HB      GLU  16   4.569   8.356  -0.593
   98    HG2  GLU  16           2HG      GLU  16   5.835   6.554   0.621
   99    HG3  GLU  16           1HG      GLU  16   4.275   5.840   1.028
  100    H    GLY  17           H        GLY  17   2.033   9.383   1.825
  101    HA2  GLY  17           2HA      GLY  17   1.101  11.510   2.191
  102    HA3  GLY  17           1HA      GLY  17   2.576  12.245   1.571
  103    H    ILE  18           H        ILE  18   0.304   9.856   0.300
  104    HA   ILE  18           HA       ILE  18   0.169  11.506  -2.109
  105    HB   ILE  18           HB       ILE  18  -0.600   8.590  -1.797
  106   HG12  ILE  18          2HG1      ILE  18   1.842   9.835  -3.091
  107   HG13  ILE  18          1HG1      ILE  18   1.827   8.966  -1.564
  108   HG21  ILE  18          1HG2      ILE  18  -0.696   8.605  -4.277
  109   HG22  ILE  18          2HG2      ILE  18  -0.337  10.331  -4.268
  110   HG23  ILE  18          3HG2      ILE  18  -1.850   9.746  -3.581
  111   HD11  ILE  18          3HD1      ILE  18   1.169   6.928  -2.745
  112   HD12  ILE  18          1HD1      ILE  18   2.688   7.583  -3.355
  113   HD13  ILE  18          2HD1      ILE  18   1.197   7.812  -4.271
  114    H    GLY  19           H        GLY  19  -2.138   9.197  -0.712
  115    HA2  GLY  19           2HA      GLY  19  -4.345   9.496  -0.092
  116    HA3  GLY  19           1HA      GLY  19  -4.001  11.218   0.005
  117    H    HIS  20           H        HIS  20  -3.509   9.366  -2.912
  118    HA   HIS  20           HA       HIS  20  -5.869  10.625  -4.116
  119    HB2  HIS  20           2HB      HIS  20  -3.817  11.820  -4.832
  120    HB3  HIS  20           1HB      HIS  20  -3.135  10.280  -5.348
  121    HD1  HIS  20           1HD      HIS  20  -3.068  10.478  -7.880
  122    HD2  HIS  20           2HD      HIS  20  -6.692  11.722  -6.267
  123    HE1  HIS  20           1HE      HIS  20  -4.563  10.980  -9.841
  124    H    LYS  21           H        LYS  21  -7.163   9.183  -5.028
  125    HA   LYS  21           HA       LYS  21  -8.005   7.308  -5.932
  126    HB2  LYS  21           2HB      LYS  21  -5.129   6.475  -6.390
  127    HB3  LYS  21           1HB      LYS  21  -6.525   5.570  -6.953
  128    HG2  LYS  21           2HG      LYS  21  -5.831   8.384  -7.782
  129    HG3  LYS  21           1HG      LYS  21  -5.491   6.937  -8.729
  130    HD2  LYS  21           2HD      LYS  21  -7.939   6.454  -8.741
  131    HD3  LYS  21           1HD      LYS  21  -8.203   7.992  -7.927
  132    HE2  LYS  21           2HE      LYS  21  -7.251   9.198  -9.794
  133    HE3  LYS  21           1HE      LYS  21  -6.844   7.679 -10.592
  134    HZ1  LYS  21           3HZ      LYS  21  -9.580   8.614  -9.974
  135    HZ2  LYS  21           1HZ      LYS  21  -9.183   7.174 -10.760
  136    HZ3  LYS  21           2HZ      LYS  21  -8.846   8.663 -11.496
  137    H    TYR  22           H        TYR  22  -7.088   7.723  -3.168
  138    HA   TYR  22           HA       TYR  22  -7.460   4.951  -2.305
  139    HB2  TYR  22           2HB      TYR  22  -5.825   6.975  -0.746
  140    HB3  TYR  22           1HB      TYR  22  -5.931   5.239  -0.461
  141    HD1  TYR  22           1HD      TYR  22  -5.438   4.080  -3.057
  142    HD2  TYR  22           2HD      TYR  22  -3.612   7.485  -1.278
  143    HE1  TYR  22           1HE      TYR  22  -3.521   3.792  -4.502
  144    HE2  TYR  22           2HE      TYR  22  -1.692   7.211  -2.748
  145    HH   TYR  22           HH       TYR  22  -0.597   5.348  -3.936
  146    HA   PRO  23           HA       PRO  23 -10.920   7.677  -1.004
  147    HB2  PRO  23           2HB      PRO  23 -12.781   5.681  -0.876
  148    HB3  PRO  23           1HB      PRO  23 -12.289   6.462  -2.385
  149    HG2  PRO  23           2HG      PRO  23 -11.364   3.868  -1.251
  150    HG3  PRO  23           1HG      PRO  23 -11.872   4.253  -2.904
  151    HD2  PRO  23           2HD      PRO  23  -9.288   4.107  -2.220
  152    HD3  PRO  23           1HD      PRO  23  -9.861   5.285  -3.416
  153    H    PHE  24           H        PHE  24  -9.410   5.082   0.480
  154    HA   PHE  24           HA       PHE  24 -10.882   5.398   2.965
  155    HB2  PHE  24           2HB      PHE  24  -9.441   3.273   3.522
  156    HB3  PHE  24           1HB      PHE  24 -10.899   3.136   2.541
  157    HD1  PHE  24           1HD      PHE  24  -7.215   3.110   2.491
  158    HD2  PHE  24           2HD      PHE  24 -10.775   2.556   0.252
  159    HE1  PHE  24           1HE      PHE  24  -5.911   2.103   0.667
  160    HE2  PHE  24           2HE      PHE  24  -9.521   1.584  -1.567
  161    HZ   PHE  24           HZ       PHE  24  -7.051   1.328  -1.381
  162    H    CYS  25           H        CYS  25  -8.287   6.818   1.622
  163    HA   CYS  25           HA       CYS  25  -6.772   6.783   4.132
  164    HB2  CYS  25           2HB      CYS  25  -5.717   7.223   1.343
  165    HB3  CYS  25           1HB      CYS  25  -4.770   7.311   2.822
  166    H    HIS  26           H        HIS  26  -6.962   8.564   5.198
  167    HA   HIS  26           HA       HIS  26  -7.264  11.093   3.744
  168    HB2  HIS  26           2HB      HIS  26  -7.844  10.467   6.662
  169    HB3  HIS  26           1HB      HIS  26  -8.089  12.019   5.881
  170    HD1  HIS  26           1HD      HIS  26 -10.371  12.398   4.876
  171    HD2  HIS  26           2HD      HIS  26  -9.614   8.402   5.693
  172    HE1  HIS  26           1HE      HIS  26 -12.559  11.193   4.516
  173    H    CYS  27           H        CYS  27  -5.204  11.704   3.396
  174    HA   CYS  27           HA       CYS  27  -3.247  11.273   5.527
  175    HB2  CYS  27           2HB      CYS  27  -2.759  12.108   2.663
  176    HB3  CYS  27           1HB      CYS  27  -1.586  11.462   3.804
  177    H    ARG  28           H        ARG  28  -2.091  13.028   6.373
  178    HA   ARG  28           HA       ARG  28  -3.438  15.542   6.352
  179    HB2  ARG  28           2HB      ARG  28  -0.755  14.789   7.542
  180    HB3  ARG  28           1HB      ARG  28  -1.574  16.314   7.821
  181    HG2  ARG  28           2HG      ARG  28  -2.607  13.599   8.598
  182    HG3  ARG  28           1HG      ARG  28  -1.818  14.741   9.684
  183    HD2  ARG  28           2HD      ARG  28  -3.622  16.358   9.280
  184    HD3  ARG  28           1HD      ARG  28  -4.411  15.209   8.201
  185    HE   ARG  28           HE       ARG  28  -3.953  13.993  10.673
  186   HH11  ARG  28          1HH1      ARG  28  -6.082  16.437   9.226
  187   HH12  ARG  28          2HH1      ARG  28  -7.327  16.206  10.366
  188   HH21  ARG  28          1HH2      ARG  28  -5.689  13.704  12.220
  189   HH22  ARG  28          2HH2      ARG  28  -7.096  14.648  12.091
  190    HN1  NH2  29           1H       ARG  28   0.044  15.414   5.995
  191    HN2  NH2  29           2H       ARG  28   0.112  16.379   4.563
  Start of MODEL    8
    1    H1   HIS   1           1HT      HIS   1  15.599   1.263  -3.166
    2    H2   HIS   1           2HT      HIS   1  16.280  -0.259  -3.308
    3    H3   HIS   1           3HT      HIS   1  16.810   0.772  -2.104
    4    HA   HIS   1           HA       HIS   1  15.402  -0.959  -1.224
    5    HB2  HIS   1           2HB      HIS   1  14.114   1.790  -1.182
    6    HB3  HIS   1           1HB      HIS   1  13.629   0.463  -0.141
    7    HD1  HIS   1           1HD      HIS   1  14.985   0.128   1.997
    8    HD2  HIS   1           2HD      HIS   1  16.670   2.901  -0.601
    9    HE1  HIS   1           1HE      HIS   1  16.849   1.237   3.272
   10    H    GLY   2           H        GLY   2  13.058   1.221  -2.772
   11    HA2  GLY   2           2HA      GLY   2  11.399   0.801  -4.267
   12    HA3  GLY   2           1HA      GLY   2  12.115  -0.775  -4.558
   13    H    GLU   3           H        GLU   3   9.721  -1.141  -4.683
   14    HA   GLU   3           HA       GLU   3   8.336  -1.374  -2.168
   15    HB2  GLU   3           2HB      GLU   3   7.086  -0.774  -4.184
   16    HB3  GLU   3           1HB      GLU   3   7.578  -2.273  -4.956
   17    HG2  GLU   3           2HG      GLU   3   5.274  -2.361  -4.140
   18    HG3  GLU   3           1HG      GLU   3   6.301  -3.559  -3.355
   19    H    GLY   4           H        GLY   4   8.458  -3.045  -0.887
   20    HA2  GLY   4           2HA      GLY   4   8.775  -5.707  -1.972
   21    HA3  GLY   4           1HA      GLY   4  10.097  -5.142  -0.957
   22    H    THR   5           H        THR   5   6.803  -4.106  -0.350
   23    HA   THR   5           HA       THR   5   6.594  -6.170   1.666
   24    HB   THR   5           HB       THR   5   6.296  -3.231   2.305
   25    HG1  THR   5           1HG      THR   5   8.399  -4.922   2.288
   26   HG21  THR   5          3HG2      THR   5   6.094  -5.704   4.024
   27   HG22  THR   5          1HG2      THR   5   4.757  -4.674   3.521
   28   HG23  THR   5          2HG2      THR   5   5.994  -4.036   4.612
   29    H    PHE   6           H        PHE   6   4.886  -3.243   0.422
   30    HA   PHE   6           HA       PHE   6   2.508  -4.678  -0.148
   31    HB2  PHE   6           2HB      PHE   6   2.779  -4.403   2.505
   32    HB3  PHE   6           1HB      PHE   6   2.165  -2.798   2.144
   33    HD1  PHE   6           2HD      PHE   6   1.443  -6.342   2.201
   34    HD2  PHE   6           1HD      PHE   6  -0.138  -2.488   1.476
   35    HE1  PHE   6           2HE      PHE   6  -0.827  -7.271   2.294
   36    HE2  PHE   6           1HE      PHE   6  -2.416  -3.395   1.569
   37    HZ   PHE   6           HZ       PHE   6  -2.764  -5.796   1.977
   38    H    THR   7           H        THR   7   1.809  -3.441  -1.797
   39    HA   THR   7           HA       THR   7   2.733  -0.690  -1.942
   40    HB   THR   7           HB       THR   7   3.191  -2.279  -3.815
   41    HG1  THR   7           1HG      THR   7   3.105  -0.042  -4.214
   42   HG21  THR   7          3HG2      THR   7   0.217  -2.105  -4.302
   43   HG22  THR   7          1HG2      THR   7   1.088  -3.543  -3.777
   44   HG23  THR   7          2HG2      THR   7   1.392  -2.867  -5.373
   45    H    SER   8           H        SER   8  -0.117  -2.416  -1.214
   46    HA   SER   8           HA       SER   8  -1.788  -0.125  -1.885
   47    HB2  SER   8           2HB      SER   8  -2.466  -3.017  -1.385
   48    HB3  SER   8           1HB      SER   8  -3.630  -1.750  -1.768
   49    HG   SER   8           HG       SER   8  -2.100  -1.392  -3.607
   50    H    ASP   9           H        ASP   9  -0.088  -0.349   0.612
   51    HA   ASP   9           HA       ASP   9  -2.116  -0.775   2.664
   52    HB2  ASP   9           2HB      ASP   9   0.274  -1.447   3.194
   53    HB3  ASP   9           1HB      ASP   9   0.648   0.289   3.096
   54    H    CYS  10           H        CYS  10  -3.420   0.729   3.256
   55    HA   CYS  10           HA       CYS  10  -3.460   3.285   2.219
   56    HB2  CYS  10           2HB      CYS  10  -5.430   2.150   3.091
   57    HB3  CYS  10           1HB      CYS  10  -4.784   2.252   4.722
   58    H    SER  11           H        SER  11  -2.071   2.133   5.273
   59    HA   SER  11           HA       SER  11  -1.618   4.720   6.254
   60    HB2  SER  11           2HB      SER  11  -1.777   2.769   7.762
   61    HB3  SER  11           1HB      SER  11  -0.307   2.108   7.055
   62    HG   SER  11           HG       SER  11   0.859   3.694   7.942
   63    H    LYS  12           H        LYS  12   0.228   2.478   4.345
   64    HA   LYS  12           HA       LYS  12   2.645   3.942   4.344
   65    HB2  LYS  12           2HB      LYS  12   2.516   1.577   3.630
   66    HB3  LYS  12           1HB      LYS  12   1.535   2.103   2.255
   67    HG2  LYS  12           2HG      LYS  12   3.351   3.324   1.327
   68    HG3  LYS  12           1HG      LYS  12   4.352   2.993   2.739
   69    HD2  LYS  12           2HD      LYS  12   4.342   0.634   2.228
   70    HD3  LYS  12           1HD      LYS  12   3.253   0.912   0.866
   71    HE2  LYS  12           2HE      LYS  12   4.880   2.209  -0.264
   72    HE3  LYS  12           1HE      LYS  12   5.954   2.193   1.131
   73    HZ1  LYS  12           3HZ      LYS  12   6.167  -0.218   0.838
   74    HZ2  LYS  12           1HZ      LYS  12   6.705   0.639  -0.489
   75    HZ3  LYS  12           2HZ      LYS  12   5.246  -0.156  -0.583
   76    H    GLN  13           H        GLN  13  -0.226   3.976   2.274
   77    HA   GLN  13           HA       GLN  13   0.720   5.701   0.328
   78    HB2  GLN  13           2HB      GLN  13  -2.129   5.724   1.336
   79    HB3  GLN  13           1HB      GLN  13  -1.566   6.110  -0.278
   80    HG2  GLN  13           2HG      GLN  13  -1.649   3.390   1.014
   81    HG3  GLN  13           1HG      GLN  13  -2.714   3.988  -0.244
   82   HE21  GLN  13          1HE2      GLN  13  -2.231   2.285  -1.558
   83   HE22  GLN  13          2HE2      GLN  13  -0.701   2.093  -2.340
   84    H    CYS  14           H        CYS  14  -0.857   6.257   3.411
   85    HA   CYS  14           HA       CYS  14  -0.962   9.064   3.324
   86    HB2  CYS  14           2HB      CYS  14  -0.923   7.163   5.664
   87    HB3  CYS  14           1HB      CYS  14  -1.270   8.884   5.786
   88    H    GLU  15           H        GLU  15   1.478   6.802   4.523
   89    HA   GLU  15           HA       GLU  15   3.163   8.681   5.724
   90    HB2  GLU  15           2HB      GLU  15   3.161   6.210   6.063
   91    HB3  GLU  15           1HB      GLU  15   3.872   6.038   4.466
   92    HG2  GLU  15           2HG      GLU  15   5.563   5.866   6.133
   93    HG3  GLU  15           1HG      GLU  15   5.786   7.348   5.203
   94    H    GLU  16           H        GLU  16   2.873   7.470   2.462
   95    HA   GLU  16           HA       GLU  16   5.158   8.945   1.503
   96    HB2  GLU  16           2HB      GLU  16   3.103   7.205   0.191
   97    HB3  GLU  16           1HB      GLU  16   4.254   8.141  -0.756
   98    HG2  GLU  16           2HG      GLU  16   5.020   6.166   1.371
   99    HG3  GLU  16           1HG      GLU  16   4.942   5.801  -0.356
  100    H    GLY  17           H        GLY  17   1.982   9.648   2.157
  101    HA2  GLY  17           2HA      GLY  17   0.860  11.643   1.999
  102    HA3  GLY  17           1HA      GLY  17   2.280  12.327   1.224
  103    H    ILE  18           H        ILE  18   0.598   9.503   0.094
  104    HA   ILE  18           HA       ILE  18   0.281  10.818  -2.464
  105    HB   ILE  18           HB       ILE  18  -0.674   8.021  -1.761
  106   HG12  ILE  18          2HG1      ILE  18   1.996   8.843  -2.926
  107   HG13  ILE  18          1HG1      ILE  18   1.751   8.282  -1.276
  108   HG21  ILE  18          1HG2      ILE  18  -0.430   7.662  -4.204
  109   HG22  ILE  18          2HG2      ILE  18   0.034   9.351  -4.393
  110   HG23  ILE  18          3HG2      ILE  18  -1.587   8.940  -3.840
  111   HD11  ILE  18          3HD1      ILE  18   2.632   6.509  -2.696
  112   HD12  ILE  18          1HD1      ILE  18   1.249   6.693  -3.779
  113   HD13  ILE  18          2HD1      ILE  18   1.003   6.120  -2.132
  114    H    GLY  19           H        GLY  19  -2.052   8.739  -0.766
  115    HA2  GLY  19           2HA      GLY  19  -4.275   9.055  -0.211
  116    HA3  GLY  19           1HA      GLY  19  -4.033  10.776  -0.451
  117    H    HIS  20           H        HIS  20  -3.025   9.659  -3.229
  118    HA   HIS  20           HA       HIS  20  -5.395  10.440  -4.610
  119    HB2  HIS  20           2HB      HIS  20  -3.107  11.065  -5.365
  120    HB3  HIS  20           1HB      HIS  20  -2.790   9.367  -5.695
  121    HD1  HIS  20           1HD      HIS  20  -2.774   9.126  -8.205
  122    HD2  HIS  20           2HD      HIS  20  -5.799  11.632  -6.855
  123    HE1  HIS  20           1HE      HIS  20  -4.110   9.773 -10.241
  124    H    LYS  21           H        LYS  21  -6.994   9.159  -5.237
  125    HA   LYS  21           HA       LYS  21  -8.225   7.385  -5.839
  126    HB2  LYS  21           2HB      LYS  21  -5.610   6.010  -6.475
  127    HB3  LYS  21           1HB      LYS  21  -7.208   5.454  -6.951
  128    HG2  LYS  21           2HG      LYS  21  -7.504   7.470  -8.306
  129    HG3  LYS  21           1HG      LYS  21  -5.894   8.015  -7.835
  130    HD2  LYS  21           2HD      LYS  21  -5.729   7.023 -10.013
  131    HD3  LYS  21           1HD      LYS  21  -4.969   5.937  -8.857
  132    HE2  LYS  21           2HE      LYS  21  -6.301   4.659 -10.411
  133    HE3  LYS  21           1HE      LYS  21  -7.034   4.573  -8.817
  134    HZ1  LYS  21           3HZ      LYS  21  -8.652   6.265  -9.535
  135    HZ2  LYS  21           1HZ      LYS  21  -8.683   4.929 -10.557
  136    HZ3  LYS  21           2HZ      LYS  21  -7.914   6.335 -11.041
  137    H    TYR  22           H        TYR  22  -7.039   7.742  -3.151
  138    HA   TYR  22           HA       TYR  22  -7.667   5.049  -2.215
  139    HB2  TYR  22           2HB      TYR  22  -5.756   6.945  -0.797
  140    HB3  TYR  22           1HB      TYR  22  -6.066   5.261  -0.396
  141    HD1  TYR  22           2HD      TYR  22  -5.898   4.006  -3.058
  142    HD2  TYR  22           1HD      TYR  22  -3.465   7.007  -1.320
  143    HE1  TYR  22           2HE      TYR  22  -4.123   3.390  -4.557
  144    HE2  TYR  22           1HE      TYR  22  -1.644   6.415  -2.851
  145    HH   TYR  22           HH       TYR  22  -0.907   4.387  -4.160
  146    HA   PRO  23           HA       PRO  23 -10.843   8.051  -1.067
  147    HB2  PRO  23           2HB      PRO  23 -12.845   6.217  -0.725
  148    HB3  PRO  23           1HB      PRO  23 -12.314   6.842  -2.296
  149    HG2  PRO  23           2HG      PRO  23 -11.584   4.275  -0.967
  150    HG3  PRO  23           1HG      PRO  23 -12.043   4.581  -2.653
  151    HD2  PRO  23           2HD      PRO  23  -9.500   4.276  -1.872
  152    HD3  PRO  23           1HD      PRO  23  -9.951   5.358  -3.206
  153    H    PHE  24           H        PHE  24  -9.748   5.376   0.739
  154    HA   PHE  24           HA       PHE  24 -11.050   6.348   3.158
  155    HB2  PHE  24           2HB      PHE  24 -10.148   4.052   4.034
  156    HB3  PHE  24           1HB      PHE  24 -11.580   4.107   3.013
  157    HD1  PHE  24           1HD      PHE  24  -7.964   3.333   3.061
  158    HD2  PHE  24           2HD      PHE  24 -11.604   3.167   0.873
  159    HE1  PHE  24           1HE      PHE  24  -6.918   1.830   1.422
  160    HE2  PHE  24           2HE      PHE  24 -10.585   1.698  -0.757
  161    HZ   PHE  24           HZ       PHE  24  -8.226   1.002  -0.496
  162    H    CYS  25           H        CYS  25  -8.405   7.198   1.704
  163    HA   CYS  25           HA       CYS  25  -6.795   7.063   4.152
  164    HB2  CYS  25           2HB      CYS  25  -5.730   7.352   1.344
  165    HB3  CYS  25           1HB      CYS  25  -4.785   7.181   2.816
  166    H    HIS  26           H        HIS  26  -8.062   8.986   4.754
  167    HA   HIS  26           HA       HIS  26  -7.114  11.386   3.403
  168    HB2  HIS  26           2HB      HIS  26  -9.241  11.005   5.531
  169    HB3  HIS  26           1HB      HIS  26  -8.684  12.582   4.996
  170    HD1  HIS  26           1HD      HIS  26 -11.004   9.846   4.096
  171    HD2  HIS  26           2HD      HIS  26  -9.348  13.215   2.312
  172    HE1  HIS  26           1HE      HIS  26 -12.415  10.315   2.062
  173    H    CYS  27           H        CYS  27  -5.156  11.809   4.023
  174    HA   CYS  27           HA       CYS  27  -4.550  11.787   6.867
  175    HB2  CYS  27           2HB      CYS  27  -2.900  10.532   4.677
  176    HB3  CYS  27           1HB      CYS  27  -2.398  10.678   6.355
  177    H    ARG  28           H        ARG  28  -2.479  12.970   7.255
  178    HA   ARG  28           HA       ARG  28  -2.411  15.254   5.453
  179    HB2  ARG  28           2HB      ARG  28  -1.654  16.578   7.454
  180    HB3  ARG  28           1HB      ARG  28  -3.296  15.965   7.535
  181    HG2  ARG  28           2HG      ARG  28  -2.487  14.119   8.982
  182    HG3  ARG  28           1HG      ARG  28  -0.883  14.855   8.956
  183    HD2  ARG  28           2HD      ARG  28  -1.818  16.895   9.927
  184    HD3  ARG  28           1HD      ARG  28  -3.410  16.137   9.970
  185    HE   ARG  28           HE       ARG  28  -1.375  14.655  11.335
  186   HH11  ARG  28          1HH1      ARG  28  -3.912  17.116  11.669
  187   HH12  ARG  28          2HH1      ARG  28  -3.944  17.058  13.360
  188   HH21  ARG  28          1HH2      ARG  28  -1.413  14.588  13.690
  189   HH22  ARG  28          2HH2      ARG  28  -2.477  15.604  14.541
  190    HN1  NH2  29           1H       ARG  28  -0.826  14.836   4.119
  191    HN2  NH2  29           2H       ARG  28   0.813  14.499   4.562
  Start of MODEL    9
    1    H1   HIS   1           1HT      HIS   1  13.139  -3.015  -0.463
    2    H2   HIS   1           2HT      HIS   1  13.836  -1.566  -0.086
    3    H3   HIS   1           3HT      HIS   1  12.302  -1.963   0.529
    4    HA   HIS   1           HA       HIS   1  14.851  -3.355   1.128
    5    HB2  HIS   1           2HB      HIS   1  13.113  -1.616   2.907
    6    HB3  HIS   1           1HB      HIS   1  14.419  -2.620   3.500
    7    HD1  HIS   1           1HD      HIS   1  16.724  -1.523   3.548
    8    HD2  HIS   1           2HD      HIS   1  13.981   0.512   1.173
    9    HE1  HIS   1           1HE      HIS   1  17.846   0.620   2.865
   10    H    GLY   2           H        GLY   2  11.498  -3.083   2.393
   11    HA2  GLY   2           2HA      GLY   2  11.661  -5.945   2.999
   12    HA3  GLY   2           1HA      GLY   2  10.638  -4.782   3.822
   13    H    GLU   3           H        GLU   3  11.152  -6.427   0.738
   14    HA   GLU   3           HA       GLU   3   9.785  -7.387  -0.726
   15    HB2  GLU   3           2HB      GLU   3   8.610  -8.254   1.287
   16    HB3  GLU   3           1HB      GLU   3   7.580  -6.836   1.273
   17    HG2  GLU   3           2HG      GLU   3   6.681  -7.545  -0.904
   18    HG3  GLU   3           1HG      GLU   3   7.699  -8.978  -0.834
   19    H    GLY   4           H        GLY   4   8.263  -6.904  -2.424
   20    HA2  GLY   4           2HA      GLY   4   7.404  -4.097  -2.510
   21    HA3  GLY   4           1HA      GLY   4   8.387  -4.747  -3.815
   22    H    THR   5           H        THR   5   5.644  -6.038  -1.983
   23    HA   THR   5           HA       THR   5   4.423  -6.667  -4.570
   24    HB   THR   5           HB       THR   5   3.857  -7.954  -1.889
   25    HG1  THR   5           1HG      THR   5   5.173  -9.621  -2.615
   26   HG21  THR   5          3HG2      THR   5   2.028  -8.116  -3.511
   27   HG22  THR   5          1HG2      THR   5   2.778  -9.692  -3.265
   28   HG23  THR   5          2HG2      THR   5   3.138  -8.759  -4.722
   29    H    PHE   6           H        PHE   6   3.428  -6.003  -1.218
   30    HA   PHE   6           HA       PHE   6   0.945  -4.925  -2.236
   31    HB2  PHE   6           2HB      PHE   6   1.176  -6.727  -0.388
   32    HB3  PHE   6           1HB      PHE   6   1.630  -5.378   0.645
   33    HD1  PHE   6           1HD      PHE   6  -1.020  -6.888  -1.322
   34    HD2  PHE   6           2HD      PHE   6  -0.015  -3.734   1.343
   35    HE1  PHE   6           1HE      PHE   6  -3.367  -6.440  -1.004
   36    HE2  PHE   6           2HE      PHE   6  -2.376  -3.263   1.685
   37    HZ   PHE   6           HZ       PHE   6  -4.093  -4.616   0.521
   38    H    THR   7           H        THR   7   0.615  -2.856  -2.223
   39    HA   THR   7           HA       THR   7   2.086  -1.110  -0.400
   40    HB   THR   7           HB       THR   7   3.274  -1.153  -2.504
   41    HG1  THR   7           1HG      THR   7   1.792   1.266  -2.314
   42   HG21  THR   7          3HG2      THR   7   1.489  -1.773  -3.985
   43   HG22  THR   7          1HG2      THR   7   2.222  -0.277  -4.586
   44   HG23  THR   7          2HG2      THR   7   0.679  -0.241  -3.710
   45    H    SER   8           H        SER   8  -0.645  -2.271  -1.121
   46    HA   SER   8           HA       SER   8  -2.242   0.068  -1.596
   47    HB2  SER   8           2HB      SER   8  -2.884  -2.197  -2.485
   48    HB3  SER   8           1HB      SER   8  -3.173  -2.723  -0.831
   49    HG   SER   8           HG       SER   8  -4.495  -0.685  -2.262
   50    H    ASP   9           H        ASP   9  -0.619  -0.959   0.965
   51    HA   ASP   9           HA       ASP   9  -2.272  -0.745   3.216
   52    HB2  ASP   9           2HB      ASP   9   0.608   0.132   2.924
   53    HB3  ASP   9           1HB      ASP   9  -0.215  -0.157   4.451
   54    H    CYS  10           H        CYS  10  -3.377   0.896   3.893
   55    HA   CYS  10           HA       CYS  10  -3.536   3.301   2.477
   56    HB2  CYS  10           2HB      CYS  10  -5.390   2.200   3.759
   57    HB3  CYS  10           1HB      CYS  10  -4.608   2.737   5.242
   58    H    SER  11           H        SER  11  -2.147   2.536   5.658
   59    HA   SER  11           HA       SER  11  -1.399   5.159   6.279
   60    HB2  SER  11           2HB      SER  11  -0.256   2.542   7.265
   61    HB3  SER  11           1HB      SER  11  -0.006   4.119   8.023
   62    HG   SER  11           HG       SER  11  -2.037   4.195   8.645
   63    H    LYS  12           H        LYS  12   0.114   2.729   4.298
   64    HA   LYS  12           HA       LYS  12   2.743   3.834   4.255
   65    HB2  LYS  12           2HB      LYS  12   2.258   1.535   3.508
   66    HB3  LYS  12           1HB      LYS  12   1.281   2.194   2.200
   67    HG2  LYS  12           2HG      LYS  12   3.215   3.200   1.199
   68    HG3  LYS  12           1HG      LYS  12   4.223   2.653   2.540
   69    HD2  LYS  12           2HD      LYS  12   3.670   0.333   1.974
   70    HD3  LYS  12           1HD      LYS  12   2.725   0.913   0.599
   71    HE2  LYS  12           2HE      LYS  12   5.553   1.639   1.028
   72    HE3  LYS  12           1HE      LYS  12   5.110   0.155   0.142
   73    HZ1  LYS  12           3HZ      LYS  12   5.564   1.971  -1.369
   74    HZ2  LYS  12           1HZ      LYS  12   4.435   2.991  -0.646
   75    HZ3  LYS  12           2HZ      LYS  12   3.951   1.596  -1.459
   76    H    GLN  13           H        GLN  13  -0.007   3.980   2.048
   77    HA   GLN  13           HA       GLN  13   1.003   5.849   0.295
   78    HB2  GLN  13           2HB      GLN  13  -1.877   5.365   1.054
   79    HB3  GLN  13           1HB      GLN  13  -1.319   6.141  -0.424
   80    HG2  GLN  13           2HG      GLN  13  -0.884   3.271   0.393
   81    HG3  GLN  13           1HG      GLN  13  -1.910   3.865  -0.911
   82   HE21  GLN  13          1HE2      GLN  13   1.354   3.304   0.118
   83   HE22  GLN  13          2HE2      GLN  13   2.080   3.520  -1.435
   84    H    CYS  14           H        CYS  14  -0.623   6.249   3.373
   85    HA   CYS  14           HA       CYS  14  -0.922   9.044   3.183
   86    HB2  CYS  14           2HB      CYS  14  -0.885   7.201   5.567
   87    HB3  CYS  14           1HB      CYS  14  -1.218   8.925   5.690
   88    H    GLU  15           H        GLU  15   1.735   7.001   4.413
   89    HA   GLU  15           HA       GLU  15   3.234   9.219   5.386
   90    HB2  GLU  15           2HB      GLU  15   4.186   6.489   4.539
   91    HB3  GLU  15           1HB      GLU  15   5.169   7.686   5.362
   92    HG2  GLU  15           2HG      GLU  15   3.581   7.586   7.257
   93    HG3  GLU  15           1HG      GLU  15   2.760   6.260   6.428
   94    H    GLU  16           H        GLU  16   3.027   7.548   2.326
   95    HA   GLU  16           HA       GLU  16   5.195   9.002   1.157
   96    HB2  GLU  16           2HB      GLU  16   2.987   7.432  -0.176
   97    HB3  GLU  16           1HB      GLU  16   4.406   8.066  -0.999
   98    HG2  GLU  16           2HG      GLU  16   5.782   6.661   0.574
   99    HG3  GLU  16           1HG      GLU  16   4.272   5.920   1.090
  100    H    GLY  17           H        GLY  17   1.999   9.728   1.858
  101    HA2  GLY  17           2HA      GLY  17   0.866  11.723   1.645
  102    HA3  GLY  17           1HA      GLY  17   2.270  12.378   0.808
  103    H    ILE  18           H        ILE  18   0.434   9.532  -0.023
  104    HA   ILE  18           HA       ILE  18   0.008  10.723  -2.636
  105    HB   ILE  18           HB       ILE  18  -0.571   7.849  -1.814
  106   HG12  ILE  18          2HG1      ILE  18   1.809   8.988  -3.272
  107   HG13  ILE  18          1HG1      ILE  18   1.808   8.402  -1.604
  108   HG21  ILE  18          1HG2      ILE  18  -0.402   9.207  -4.511
  109   HG22  ILE  18          2HG2      ILE  18  -1.835   8.466  -3.783
  110   HG23  ILE  18          3HG2      ILE  18  -0.480   7.465  -4.283
  111   HD11  ILE  18          3HD1      ILE  18   2.774   6.779  -3.129
  112   HD12  ILE  18          1HD1      ILE  18   1.279   6.785  -4.070
  113   HD13  ILE  18          2HD1      ILE  18   1.271   6.174  -2.418
  114    H    GLY  19           H        GLY  19  -2.112   8.413  -0.981
  115    HA2  GLY  19           2HA      GLY  19  -4.352   8.554  -0.418
  116    HA3  GLY  19           1HA      GLY  19  -4.199  10.300  -0.510
  117    H    HIS  20           H        HIS  20  -3.074   9.522  -3.321
  118    HA   HIS  20           HA       HIS  20  -5.386  10.253  -4.784
  119    HB2  HIS  20           2HB      HIS  20  -3.041  10.964  -5.321
  120    HB3  HIS  20           1HB      HIS  20  -2.695   9.294  -5.742
  121    HD1  HIS  20           1HD      HIS  20  -4.502  12.353  -7.016
  122    HD2  HIS  20           2HD      HIS  20  -3.576   8.487  -8.243
  123    HE1  HIS  20           1HE      HIS  20  -5.044  12.253  -9.470
  124    H    LYS  21           H        LYS  21  -6.887   8.936  -5.392
  125    HA   LYS  21           HA       LYS  21  -8.036   7.154  -6.183
  126    HB2  LYS  21           2HB      LYS  21  -5.355   5.778  -6.502
  127    HB3  LYS  21           1HB      LYS  21  -6.892   5.095  -7.009
  128    HG2  LYS  21           2HG      LYS  21  -7.172   6.903  -8.623
  129    HG3  LYS  21           1HG      LYS  21  -5.663   7.632  -8.078
  130    HD2  LYS  21           2HD      LYS  21  -5.246   6.415 -10.118
  131    HD3  LYS  21           1HD      LYS  21  -4.462   5.579  -8.788
  132    HE2  LYS  21           2HE      LYS  21  -5.521   3.959 -10.238
  133    HE3  LYS  21           1HE      LYS  21  -6.369   3.986  -8.698
  134    HZ1  LYS  21           3HZ      LYS  21  -8.073   5.414  -9.756
  135    HZ2  LYS  21           1HZ      LYS  21  -7.930   3.926 -10.525
  136    HZ3  LYS  21           2HZ      LYS  21  -7.256   5.295 -11.217
  137    H    TYR  22           H        TYR  22  -6.910   7.627  -3.400
  138    HA   TYR  22           HA       TYR  22  -7.821   5.048  -2.344
  139    HB2  TYR  22           2HB      TYR  22  -5.766   6.795  -0.956
  140    HB3  TYR  22           1HB      TYR  22  -6.200   5.135  -0.553
  141    HD1  TYR  22           1HD      TYR  22  -6.046   3.767  -3.083
  142    HD2  TYR  22           2HD      TYR  22  -3.505   6.812  -1.567
  143    HE1  TYR  22           1HE      TYR  22  -4.284   3.018  -4.556
  144    HE2  TYR  22           2HE      TYR  22  -1.742   6.107  -3.079
  145    HH   TYR  22           HH       TYR  22  -2.349   3.858  -5.595
  146    HA   PRO  23           HA       PRO  23 -10.651   8.455  -1.081
  147    HB2  PRO  23           2HB      PRO  23 -12.862   6.867  -0.867
  148    HB3  PRO  23           1HB      PRO  23 -12.232   7.495  -2.404
  149    HG2  PRO  23           2HG      PRO  23 -11.811   4.801  -1.198
  150    HG3  PRO  23           1HG      PRO  23 -12.301   5.230  -2.847
  151    HD2  PRO  23           2HD      PRO  23  -9.778   4.615  -2.255
  152    HD3  PRO  23           1HD      PRO  23 -10.161   5.867  -3.455
  153    H    PHE  24           H        PHE  24  -9.737   5.583   0.427
  154    HA   PHE  24           HA       PHE  24 -10.960   6.258   2.971
  155    HB2  PHE  24           2HB      PHE  24  -9.912   3.927   3.560
  156    HB3  PHE  24           1HB      PHE  24 -11.370   4.009   2.579
  157    HD1  PHE  24           2HD      PHE  24  -7.749   3.330   2.538
  158    HD2  PHE  24           1HD      PHE  24 -11.343   3.430   0.277
  159    HE1  PHE  24           2HE      PHE  24  -6.641   2.109   0.719
  160    HE2  PHE  24           1HE      PHE  24 -10.274   2.251  -1.538
  161    HZ   PHE  24           HZ       PHE  24  -7.886   1.554  -1.335
  162    H    CYS  25           H        CYS  25  -8.241   7.141   1.435
  163    HA   CYS  25           HA       CYS  25  -6.668   7.016   3.893
  164    HB2  CYS  25           2HB      CYS  25  -5.626   7.124   1.069
  165    HB3  CYS  25           1HB      CYS  25  -4.636   7.184   2.521
  166    H    HIS  26           H        HIS  26  -7.831   8.872   4.490
  167    HA   HIS  26           HA       HIS  26  -6.642  11.274   3.340
  168    HB2  HIS  26           2HB      HIS  26  -9.177  10.954   4.980
  169    HB3  HIS  26           1HB      HIS  26  -8.456  12.522   4.627
  170    HD1  HIS  26           1HD      HIS  26 -10.984  10.296   3.349
  171    HD2  HIS  26           2HD      HIS  26  -8.192  12.890   1.685
  172    HE1  HIS  26           1HE      HIS  26 -11.761  10.735   1.005
  173    H    CYS  27           H        CYS  27  -4.907  11.866   4.386
  174    HA   CYS  27           HA       CYS  27  -4.772  11.405   7.269
  175    HB2  CYS  27           2HB      CYS  27  -2.723  10.476   5.267
  176    HB3  CYS  27           1HB      CYS  27  -2.543  10.396   7.011
  177    H    ARG  28           H        ARG  28  -3.152  12.611   8.299
  178    HA   ARG  28           HA       ARG  28  -2.617  15.128   7.133
  179    HB2  ARG  28           2HB      ARG  28  -1.210  15.498   9.265
  180    HB3  ARG  28           1HB      ARG  28  -2.940  15.279   9.441
  181    HG2  ARG  28           2HG      ARG  28  -2.621  13.005  10.162
  182    HG3  ARG  28           1HG      ARG  28  -0.884  13.117   9.884
  183    HD2  ARG  28           2HD      ARG  28  -1.528  13.348  12.266
  184    HD3  ARG  28           1HD      ARG  28  -0.671  14.753  11.646
  185    HE   ARG  28           HE       ARG  28  -2.605  16.004  11.773
  186   HH11  ARG  28          1HH1      ARG  28  -3.315  12.648  12.724
  187   HH12  ARG  28          2HH1      ARG  28  -4.714  13.043  13.585
  188   HH21  ARG  28          1HH2      ARG  28  -4.559  16.548  13.026
  189   HH22  ARG  28          2HH2      ARG  28  -5.428  15.267  13.754
  190    HN1  NH2  29           1H       ARG  28  -0.309  12.652   8.234
  191    HN2  NH2  29           2H       ARG  28   0.898  13.085   7.084
  Start of MODEL   10
    1    H1   HIS   1           1HT      HIS   1   9.634  -7.763  -2.031
    2    H2   HIS   1           2HT      HIS   1  10.778  -7.926  -0.807
    3    H3   HIS   1           3HT      HIS   1  10.328  -6.397  -1.331
    4    HA   HIS   1           HA       HIS   1   9.267  -6.964   0.794
    5    HB2  HIS   1           2HB      HIS   1   7.269  -6.973  -1.494
    6    HB3  HIS   1           1HB      HIS   1   6.958  -6.489   0.162
    7    HD1  HIS   1           1HD      HIS   1   7.944  -5.162  -3.092
    8    HD2  HIS   1           2HD      HIS   1   8.337  -4.039   0.887
    9    HE1  HIS   1           1HE      HIS   1   8.484  -2.699  -3.115
   10    H    GLY   2           H        GLY   2   7.977  -8.435   1.984
   11    HA2  GLY   2           2HA      GLY   2   8.068 -11.141   1.151
   12    HA3  GLY   2           1HA      GLY   2   7.196 -10.508   2.550
   13    H    GLU   3           H        GLU   3   5.262  -9.119   1.900
   14    HA   GLU   3           HA       GLU   3   3.618 -10.677   0.153
   15    HB2  GLU   3           2HB      GLU   3   3.022  -8.167   1.721
   16    HB3  GLU   3           1HB      GLU   3   1.840  -9.034   0.755
   17    HG2  GLU   3           2HG      GLU   3   3.273 -10.046   3.196
   18    HG3  GLU   3           1HG      GLU   3   1.572  -9.616   3.062
   19    H    GLY   4           H        GLY   4   4.025 -10.424  -1.923
   20    HA2  GLY   4           2HA      GLY   4   4.475  -7.744  -3.034
   21    HA3  GLY   4           1HA      GLY   4   4.673  -9.266  -3.893
   22    H    THR   5           H        THR   5   1.974  -9.702  -2.303
   23    HA   THR   5           HA       THR   5   0.280  -9.463  -4.547
   24    HB   THR   5           HB       THR   5  -0.406  -9.958  -1.652
   25    HG1  THR   5           1HG      THR   5   0.058 -12.018  -2.021
   26   HG21  THR   5          3HG2      THR   5  -1.907 -10.640  -4.199
   27   HG22  THR   5          1HG2      THR   5  -2.371  -9.405  -3.029
   28   HG23  THR   5          2HG2      THR   5  -2.393 -11.104  -2.568
   29    H    PHE   6           H        PHE   6   0.633  -7.607  -1.509
   30    HA   PHE   6           HA       PHE   6  -1.253  -5.685  -2.611
   31    HB2  PHE   6           2HB      PHE   6  -2.249  -7.322  -0.952
   32    HB3  PHE   6           1HB      PHE   6  -1.220  -6.573   0.255
   33    HD1  PHE   6           1HD      PHE   6  -1.696  -4.296   1.042
   34    HD2  PHE   6           2HD      PHE   6  -4.126  -6.218  -1.855
   35    HE1  PHE   6           1HE      PHE   6  -3.476  -2.673   1.464
   36    HE2  PHE   6           2HE      PHE   6  -5.892  -4.608  -1.470
   37    HZ   PHE   6           HZ       PHE   6  -5.589  -2.814   0.207
   38    H    THR   7           H        THR   7  -0.463  -3.702  -2.495
   39    HA   THR   7           HA       THR   7   1.417  -3.027  -0.347
   40    HB   THR   7           HB       THR   7   2.568  -3.271  -2.555
   41    HG1  THR   7           1HG      THR   7   3.274  -0.844  -2.465
   42   HG21  THR   7          3HG2      THR   7   0.833  -0.922  -3.317
   43   HG22  THR   7          1HG2      THR   7   0.767  -2.538  -4.013
   44   HG23  THR   7          2HG2      THR   7   2.191  -1.521  -4.273
   45    H    SER   8           H        SER   8  -1.525  -2.531  -1.730
   46    HA   SER   8           HA       SER   8  -1.769   0.293  -1.698
   47    HB2  SER   8           2HB      SER   8  -3.914  -1.833  -1.733
   48    HB3  SER   8           1HB      SER   8  -4.104  -0.145  -2.213
   49    HG   SER   8           HG       SER   8  -2.516  -0.537  -3.836
   50    H    ASP   9           H        ASP   9  -0.878  -0.808   0.848
   51    HA   ASP   9           HA       ASP   9  -3.021  -0.777   2.766
   52    HB2  ASP   9           2HB      ASP   9  -0.733  -1.897   3.101
   53    HB3  ASP   9           1HB      ASP   9  -0.114  -0.257   3.331
   54    H    CYS  10           H        CYS  10  -3.751   0.937   3.912
   55    HA   CYS  10           HA       CYS  10  -3.540   3.444   2.722
   56    HB2  CYS  10           2HB      CYS  10  -5.480   2.498   4.062
   57    HB3  CYS  10           1HB      CYS  10  -4.574   2.955   5.501
   58    H    SER  11           H        SER  11  -1.849   2.035   5.493
   59    HA   SER  11           HA       SER  11  -0.951   4.496   6.492
   60    HB2  SER  11           2HB      SER  11   0.263   1.761   6.853
   61    HB3  SER  11           1HB      SER  11   0.522   3.182   7.871
   62    HG   SER  11           HG       SER  11  -1.512   1.395   7.871
   63    H    LYS  12           H        LYS  12   0.169   2.352   4.007
   64    HA   LYS  12           HA       LYS  12   2.767   3.490   3.777
   65    HB2  LYS  12           2HB      LYS  12   1.163   1.864   1.847
   66    HB3  LYS  12           1HB      LYS  12   2.805   2.423   1.557
   67    HG2  LYS  12           2HG      LYS  12   3.493   1.224   3.624
   68    HG3  LYS  12           1HG      LYS  12   1.869   0.536   3.698
   69    HD2  LYS  12           2HD      LYS  12   3.326  -1.016   2.631
   70    HD3  LYS  12           1HD      LYS  12   2.188  -0.338   1.444
   71    HE2  LYS  12           2HE      LYS  12   3.910   1.163   0.598
   72    HE3  LYS  12           1HE      LYS  12   5.036   0.607   1.837
   73    HZ1  LYS  12           3HZ      LYS  12   3.949  -0.996  -0.425
   74    HZ2  LYS  12           1HZ      LYS  12   4.989  -1.572   0.786
   75    HZ3  LYS  12           2HZ      LYS  12   5.513  -0.383  -0.251
   76    H    GLN  13           H        GLN  13  -0.370   4.026   2.288
   77    HA   GLN  13           HA       GLN  13   0.533   5.709   0.222
   78    HB2  GLN  13           2HB      GLN  13  -2.212   5.659   1.471
   79    HB3  GLN  13           1HB      GLN  13  -1.795   6.168  -0.170
   80    HG2  GLN  13           2HG      GLN  13  -1.852   3.406   1.006
   81    HG3  GLN  13           1HG      GLN  13  -2.783   4.041  -0.345
   82   HE21  GLN  13          1HE2      GLN  13  -0.978   1.748  -0.028
   83   HE22  GLN  13          2HE2      GLN  13   0.174   1.870  -1.311
   84    H    CYS  14           H        CYS  14  -0.702   6.249   3.464
   85    HA   CYS  14           HA       CYS  14  -0.540   9.072   3.253
   86    HB2  CYS  14           2HB      CYS  14  -0.773   7.279   5.671
   87    HB3  CYS  14           1HB      CYS  14  -0.939   9.035   5.708
   88    H    GLU  15           H        GLU  15   1.751   6.534   4.114
   89    HA   GLU  15           HA       GLU  15   3.617   8.194   5.443
   90    HB2  GLU  15           2HB      GLU  15   3.528   5.729   5.628
   91    HB3  GLU  15           1HB      GLU  15   3.997   5.605   3.945
   92    HG2  GLU  15           2HG      GLU  15   5.877   5.175   5.296
   93    HG3  GLU  15           1HG      GLU  15   6.111   6.722   4.484
   94    H    GLU  16           H        GLU  16   3.101   7.222   2.075
   95    HA   GLU  16           HA       GLU  16   5.467   8.648   1.238
   96    HB2  GLU  16           2HB      GLU  16   3.295   7.433  -0.486
   97    HB3  GLU  16           1HB      GLU  16   4.851   8.020  -1.057
   98    HG2  GLU  16           2HG      GLU  16   5.904   6.295   0.450
   99    HG3  GLU  16           1HG      GLU  16   4.288   5.636   0.678
  100    H    GLY  17           H        GLY  17   2.267   9.364   1.868
  101    HA2  GLY  17           2HA      GLY  17   1.249  11.433   1.989
  102    HA3  GLY  17           1HA      GLY  17   2.690  12.141   1.270
  103    H    ILE  18           H        ILE  18   0.610   9.591   0.054
  104    HA   ILE  18           HA       ILE  18   0.389  11.117  -2.427
  105    HB   ILE  18           HB       ILE  18  -0.560   8.274  -1.932
  106   HG12  ILE  18          2HG1      ILE  18   2.060   9.198  -3.133
  107   HG13  ILE  18          1HG1      ILE  18   1.867   8.486  -1.535
  108   HG21  ILE  18          1HG2      ILE  18   0.017   9.815  -4.470
  109   HG22  ILE  18          2HG2      ILE  18  -1.576   9.326  -3.890
  110   HG23  ILE  18          3HG2      ILE  18  -0.412   8.109  -4.404
  111   HD11  ILE  18          3HD1      ILE  18   2.694   6.856  -3.136
  112   HD12  ILE  18          1HD1      ILE  18   1.283   7.136  -4.159
  113   HD13  ILE  18          2HD1      ILE  18   1.085   6.412  -2.563
  114    H    GLY  19           H        GLY  19  -1.916   8.909  -0.905
  115    HA2  GLY  19           2HA      GLY  19  -4.087   9.204  -0.176
  116    HA3  GLY  19           1HA      GLY  19  -3.878  10.934  -0.385
  117    H    HIS  20           H        HIS  20  -2.969   9.981  -3.216
  118    HA   HIS  20           HA       HIS  20  -5.458  10.602  -4.478
  119    HB2  HIS  20           2HB      HIS  20  -3.336  11.502  -5.338
  120    HB3  HIS  20           1HB      HIS  20  -2.774   9.856  -5.613
  121    HD1  HIS  20           1HD      HIS  20  -2.753   9.479  -8.087
  122    HD2  HIS  20           2HD      HIS  20  -6.090  11.624  -6.858
  123    HE1  HIS  20           1HE      HIS  20  -4.149   9.815 -10.149
  124    H    LYS  21           H        LYS  21  -6.904   9.185  -5.100
  125    HA   LYS  21           HA       LYS  21  -7.937   7.327  -5.913
  126    HB2  LYS  21           2HB      LYS  21  -5.167   6.166  -6.352
  127    HB3  LYS  21           1HB      LYS  21  -6.669   5.461  -6.919
  128    HG2  LYS  21           2HG      LYS  21  -5.611   8.143  -7.780
  129    HG3  LYS  21           1HG      LYS  21  -5.387   6.641  -8.667
  130    HD2  LYS  21           2HD      LYS  21  -8.148   7.610  -7.961
  131    HD3  LYS  21           1HD      LYS  21  -7.297   8.266  -9.348
  132    HE2  LYS  21           2HE      LYS  21  -8.792   6.460 -10.029
  133    HE3  LYS  21           1HE      LYS  21  -7.116   6.030 -10.317
  134    HZ1  LYS  21           3HZ      LYS  21  -8.645   5.116  -7.945
  135    HZ2  LYS  21           1HZ      LYS  21  -7.150   4.562  -8.465
  136    HZ3  LYS  21           2HZ      LYS  21  -8.521   4.226  -9.366
  137    H    TYR  22           H        TYR  22  -6.858   7.747  -3.138
  138    HA   TYR  22           HA       TYR  22  -7.457   5.026  -2.240
  139    HB2  TYR  22           2HB      TYR  22  -5.601   6.917  -0.768
  140    HB3  TYR  22           1HB      TYR  22  -5.862   5.204  -0.436
  141    HD1  TYR  22           2HD      TYR  22  -5.577   3.946  -3.008
  142    HD2  TYR  22           1HD      TYR  22  -3.413   7.219  -1.411
  143    HE1  TYR  22           2HE      TYR  22  -3.750   3.454  -4.519
  144    HE2  TYR  22           1HE      TYR  22  -1.564   6.750  -2.968
  145    HH   TYR  22           HH       TYR  22  -1.886   4.639  -5.560
  146    HA   PRO  23           HA       PRO  23 -10.673   7.981  -0.830
  147    HB2  PRO  23           2HB      PRO  23 -12.646   6.116  -0.641
  148    HB3  PRO  23           1HB      PRO  23 -12.104   6.815  -2.186
  149    HG2  PRO  23           2HG      PRO  23 -11.306   4.231  -0.936
  150    HG3  PRO  23           1HG      PRO  23 -11.886   4.542  -2.584
  151    HD2  PRO  23           2HD      PRO  23  -9.300   4.302  -2.055
  152    HD3  PRO  23           1HD      PRO  23  -9.870   5.496  -3.241
  153    H    PHE  24           H        PHE  24  -9.404   5.203   0.577
  154    HA   PHE  24           HA       PHE  24 -10.713   5.560   3.122
  155    HB2  PHE  24           2HB      PHE  24  -9.173   3.509   3.671
  156    HB3  PHE  24           1HB      PHE  24 -10.589   3.287   2.648
  157    HD1  PHE  24           2HD      PHE  24 -10.362   2.921   0.299
  158    HD2  PHE  24           1HD      PHE  24  -6.929   3.342   2.743
  159    HE1  PHE  24           2HE      PHE  24  -9.022   2.093  -1.515
  160    HE2  PHE  24           1HE      PHE  24  -5.524   2.469   0.920
  161    HZ   PHE  24           HZ       PHE  24  -6.556   1.831  -1.229
  162    H    CYS  25           H        CYS  25  -8.051   6.830   1.573
  163    HA   CYS  25           HA       CYS  25  -6.596   7.065   4.086
  164    HB2  CYS  25           2HB      CYS  25  -5.577   7.342   1.270
  165    HB3  CYS  25           1HB      CYS  25  -4.627   7.680   2.712
  166    H    HIS  26           H        HIS  26  -7.669   8.712   4.941
  167    HA   HIS  26           HA       HIS  26  -7.276  11.277   3.594
  168    HB2  HIS  26           2HB      HIS  26  -9.142  10.447   5.814
  169    HB3  HIS  26           1HB      HIS  26  -8.846  12.133   5.429
  170    HD1  HIS  26           1HD      HIS  26 -10.846   9.165   4.336
  171    HD2  HIS  26           2HD      HIS  26  -9.876  12.960   2.925
  172    HE1  HIS  26           1HE      HIS  26 -12.495   9.661   2.534
  173    H    CYS  27           H        CYS  27  -5.285  11.872   4.119
  174    HA   CYS  27           HA       CYS  27  -4.557  11.990   6.942
  175    HB2  CYS  27           2HB      CYS  27  -2.759  10.833   4.808
  176    HB3  CYS  27           1HB      CYS  27  -2.353  11.029   6.503
  177    H    ARG  28           H        ARG  28  -4.368  14.153   7.078
  178    HA   ARG  28           HA       ARG  28  -2.610  15.413   5.212
  179    HB2  ARG  28           2HB      ARG  28  -4.158  17.431   5.131
  180    HB3  ARG  28           1HB      ARG  28  -4.629  16.035   4.187
  181    HG2  ARG  28           2HG      ARG  28  -6.629  16.776   5.105
  182    HG3  ARG  28           1HG      ARG  28  -6.154  15.495   6.215
  183    HD2  ARG  28           2HD      ARG  28  -6.978  17.479   7.387
  184    HD3  ARG  28           1HD      ARG  28  -5.285  17.153   7.770
  185    HE   ARG  28           HE       ARG  28  -5.407  18.898   5.596
  186   HH11  ARG  28          1HH1      ARG  28  -6.143  18.960   9.059
  187   HH12  ARG  28          2HH1      ARG  28  -5.779  20.619   9.227
  188   HH21  ARG  28          1HH2      ARG  28  -4.874  21.118   5.852
  189   HH22  ARG  28          2HH2      ARG  28  -5.027  21.866   7.381
  190    HN1  NH2  29           1H       ARG  28  -1.042  16.294   6.173
  191    HN2  NH2  29           2H       ARG  28  -1.032  16.882   7.801
  Start of MODEL   11
    1    H1   HIS   1           1HT      HIS   1  -0.018 -13.047   7.739
    2    H2   HIS   1           2HT      HIS   1   0.062 -11.934   6.510
    3    H3   HIS   1           3HT      HIS   1  -1.247 -12.997   6.573
    4    HA   HIS   1           HA       HIS   1  -1.833 -10.768   7.287
    5    HB2  HIS   1           2HB      HIS   1  -2.800 -11.302   9.483
    6    HB3  HIS   1           1HB      HIS   1  -2.961 -12.682   8.421
    7    HD1  HIS   1           1HD      HIS   1  -1.421 -11.621  11.667
    8    HD2  HIS   1           2HD      HIS   1  -1.377 -14.926   9.128
    9    HE1  HIS   1           1HE      HIS   1  -0.420 -13.498  12.991
   10    H    GLY   2           H        GLY   2  -1.604  -9.348   9.435
   11    HA2  GLY   2           2HA      GLY   2   0.318  -9.197  11.137
   12    HA3  GLY   2           1HA      GLY   2   1.253  -8.904   9.680
   13    H    GLU   3           H        GLU   3   1.780  -6.859   9.935
   14    HA   GLU   3           HA       GLU   3  -0.186  -4.894  10.764
   15    HB2  GLU   3           2HB      GLU   3   2.685  -4.476   9.974
   16    HB3  GLU   3           1HB      GLU   3   1.651  -3.339  10.823
   17    HG2  GLU   3           2HG      GLU   3   1.543  -4.924  12.717
   18    HG3  GLU   3           1HG      GLU   3   2.685  -5.957  11.856
   19    H    GLY   4           H        GLY   4   1.359  -6.060   8.052
   20    HA2  GLY   4           2HA      GLY   4  -0.017  -4.107   6.339
   21    HA3  GLY   4           1HA      GLY   4   1.657  -4.560   6.028
   22    H    THR   5           H        THR   5  -1.635  -5.565   5.897
   23    HA   THR   5           HA       THR   5  -1.239  -8.271   5.192
   24    HB   THR   5           HB       THR   5  -3.544  -6.444   4.502
   25    HG1  THR   5           1HG      THR   5  -3.939  -6.462   6.511
   26   HG21  THR   5          3HG2      THR   5  -3.418  -9.464   4.786
   27   HG22  THR   5          1HG2      THR   5  -3.596  -8.573   3.273
   28   HG23  THR   5          2HG2      THR   5  -4.881  -8.525   4.478
   29    H    PHE   6           H        PHE   6  -1.271  -5.288   3.381
   30    HA   PHE   6           HA       PHE   6  -0.680  -6.798   0.959
   31    HB2  PHE   6           2HB      PHE   6  -3.151  -6.088   1.241
   32    HB3  PHE   6           1HB      PHE   6  -2.548  -4.459   0.960
   33    HD1  PHE   6           2HD      PHE   6  -2.840  -7.812  -0.474
   34    HD2  PHE   6           1HD      PHE   6  -2.077  -3.709  -1.227
   35    HE1  PHE   6           2HE      PHE   6  -2.995  -8.255  -2.844
   36    HE2  PHE   6           1HE      PHE   6  -2.227  -4.121  -3.653
   37    HZ   PHE   6           HZ       PHE   6  -2.686  -6.399  -4.482
   38    H    THR   7           H        THR   7   0.640  -5.647  -0.480
   39    HA   THR   7           HA       THR   7   2.570  -3.974   0.441
   40    HB   THR   7           HB       THR   7   1.501  -4.026  -2.379
   41    HG1  THR   7           1HG      THR   7   3.176  -5.882  -1.009
   42   HG21  THR   7          3HG2      THR   7   3.343  -2.456  -1.934
   43   HG22  THR   7          1HG2      THR   7   3.879  -3.785  -2.965
   44   HG23  THR   7          2HG2      THR   7   4.302  -3.770  -1.251
   45    H    SER   8           H        SER   8  -0.320  -3.067  -1.453
   46    HA   SER   8           HA       SER   8   0.108  -0.279  -1.096
   47    HB2  SER   8           2HB      SER   8  -2.403  -1.722  -2.000
   48    HB3  SER   8           1HB      SER   8  -1.968  -0.039  -2.299
   49    HG   SER   8           HG       SER   8  -0.374  -0.666  -3.662
   50    H    ASP   9           H        ASP   9   0.108   0.214   1.024
   51    HA   ASP   9           HA       ASP   9  -2.161  -0.627   2.690
   52    HB2  ASP   9           2HB      ASP   9   0.168  -1.166   3.472
   53    HB3  ASP   9           1HB      ASP   9   0.430   0.585   3.533
   54    H    CYS  10           H        CYS  10  -3.565   0.875   3.243
   55    HA   CYS  10           HA       CYS  10  -3.744   3.372   2.148
   56    HB2  CYS  10           2HB      CYS  10  -5.622   2.144   3.150
   57    HB3  CYS  10           1HB      CYS  10  -4.954   2.428   4.752
   58    H    SER  11           H        SER  11  -2.327   2.520   5.318
   59    HA   SER  11           HA       SER  11  -2.008   5.268   5.972
   60    HB2  SER  11           2HB      SER  11  -2.415   3.489   7.711
   61    HB3  SER  11           1HB      SER  11  -0.803   2.866   7.362
   62    HG   SER  11           HG       SER  11  -0.138   4.245   8.766
   63    H    LYS  12           H        LYS  12  -0.119   2.755   4.537
   64    HA   LYS  12           HA       LYS  12   2.430   4.015   4.687
   65    HB2  LYS  12           2HB      LYS  12   2.098   1.641   4.078
   66    HB3  LYS  12           1HB      LYS  12   1.410   2.170   2.542
   67    HG2  LYS  12           2HG      LYS  12   3.578   3.295   2.046
   68    HG3  LYS  12           1HG      LYS  12   4.230   2.566   3.516
   69    HD2  LYS  12           2HD      LYS  12   4.871   1.118   1.770
   70    HD3  LYS  12           1HD      LYS  12   3.483   0.372   2.583
   71    HE2  LYS  12           2HE      LYS  12   3.214   0.152   0.191
   72    HE3  LYS  12           1HE      LYS  12   1.993   1.240   0.825
   73    HZ1  LYS  12           3HZ      LYS  12   3.419   3.142  -0.008
   74    HZ2  LYS  12           1HZ      LYS  12   2.881   2.095  -1.184
   75    HZ3  LYS  12           2HZ      LYS  12   4.452   2.000  -0.665
   76    H    GLN  13           H        GLN  13  -0.222   4.097   2.326
   77    HA   GLN  13           HA       GLN  13   1.081   5.635   0.376
   78    HB2  GLN  13           2HB      GLN  13  -1.878   5.634   0.973
   79    HB3  GLN  13           1HB      GLN  13  -1.117   6.027  -0.562
   80    HG2  GLN  13           2HG      GLN  13  -1.456   3.340   0.756
   81    HG3  GLN  13           1HG      GLN  13  -2.173   3.910  -0.738
   82   HE21  GLN  13          1HE2      GLN  13  -1.442   2.191  -1.904
   83   HE22  GLN  13          2HE2      GLN  13   0.229   1.945  -2.289
   84    H    CYS  14           H        CYS  14  -0.719   6.428   3.243
   85    HA   CYS  14           HA       CYS  14  -0.714   9.220   2.717
   86    HB2  CYS  14           2HB      CYS  14  -1.448   7.618   5.139
   87    HB3  CYS  14           1HB      CYS  14  -1.488   9.386   5.094
   88    H    GLU  15           H        GLU  15   1.498   7.058   4.211
   89    HA   GLU  15           HA       GLU  15   2.942   8.998   5.683
   90    HB2  GLU  15           2HB      GLU  15   2.931   6.495   6.026
   91    HB3  GLU  15           1HB      GLU  15   3.863   6.353   4.548
   92    HG2  GLU  15           2HG      GLU  15   5.310   6.190   6.413
   93    HG3  GLU  15           1HG      GLU  15   5.622   7.711   5.571
   94    H    GLU  16           H        GLU  16   2.955   7.685   2.471
   95    HA   GLU  16           HA       GLU  16   5.317   9.084   1.601
   96    HB2  GLU  16           2HB      GLU  16   3.221   7.577   0.042
   97    HB3  GLU  16           1HB      GLU  16   4.754   8.147  -0.604
   98    HG2  GLU  16           2HG      GLU  16   5.949   6.696   0.936
   99    HG3  GLU  16           1HG      GLU  16   4.414   6.147   1.607
  100    H    GLY  17           H        GLY  17   2.006   9.728   1.874
  101    HA2  GLY  17           2HA      GLY  17   0.950  11.803   1.651
  102    HA3  GLY  17           1HA      GLY  17   2.385  12.410   0.834
  103    H    ILE  18           H        ILE  18   0.374   9.611   0.087
  104    HA   ILE  18           HA       ILE  18   0.074  10.707  -2.594
  105    HB   ILE  18           HB       ILE  18  -0.730   7.915  -1.675
  106   HG12  ILE  18          2HG1      ILE  18   1.828   8.772  -3.041
  107   HG13  ILE  18          1HG1      ILE  18   1.686   8.302  -1.344
  108   HG21  ILE  18          1HG2      ILE  18  -0.541   7.397  -4.101
  109   HG22  ILE  18          2HG2      ILE  18  -0.295   9.117  -4.422
  110   HG23  ILE  18          3HG2      ILE  18  -1.815   8.548  -3.736
  111   HD11  ILE  18          3HD1      ILE  18   2.585   6.494  -2.702
  112   HD12  ILE  18          1HD1      ILE  18   1.148   6.551  -3.725
  113   HD13  ILE  18          2HD1      ILE  18   1.005   6.065  -2.038
  114    H    GLY  19           H        GLY  19  -2.264   8.565  -1.014
  115    HA2  GLY  19           2HA      GLY  19  -4.488   8.909  -0.421
  116    HA3  GLY  19           1HA      GLY  19  -4.260  10.631  -0.687
  117    H    HIS  20           H        HIS  20  -3.104   9.505  -3.345
  118    HA   HIS  20           HA       HIS  20  -5.294  10.234  -4.985
  119    HB2  HIS  20           2HB      HIS  20  -2.843  10.589  -5.484
  120    HB3  HIS  20           1HB      HIS  20  -2.724   8.871  -5.798
  121    HD1  HIS  20           1HD      HIS  20  -3.548  12.070  -7.399
  122    HD2  HIS  20           2HD      HIS  20  -4.187   8.027  -8.142
  123    HE1  HIS  20           1HE      HIS  20  -4.153  11.898  -9.838
  124    H    LYS  21           H        LYS  21  -6.953   9.019  -5.410
  125    HA   LYS  21           HA       LYS  21  -8.304   7.330  -5.919
  126    HB2  LYS  21           2HB      LYS  21  -5.733   5.973  -6.633
  127    HB3  LYS  21           1HB      LYS  21  -7.220   5.040  -6.572
  128    HG2  LYS  21           2HG      LYS  21  -6.867   7.522  -8.234
  129    HG3  LYS  21           1HG      LYS  21  -6.610   5.880  -8.833
  130    HD2  LYS  21           2HD      LYS  21  -8.902   5.292  -8.368
  131    HD3  LYS  21           1HD      LYS  21  -9.205   6.854  -7.621
  132    HE2  LYS  21           2HE      LYS  21  -8.428   6.434 -10.495
  133    HE3  LYS  21           1HE      LYS  21 -10.079   6.679  -9.923
  134    HZ1  LYS  21           3HZ      LYS  21  -9.153   8.730 -10.713
  135    HZ2  LYS  21           1HZ      LYS  21  -7.834   8.609  -9.670
  136    HZ3  LYS  21           2HZ      LYS  21  -9.380   8.833  -9.054
  137    H    TYR  22           H        TYR  22  -6.999   7.745  -3.233
  138    HA   TYR  22           HA       TYR  22  -8.013   5.216  -2.151
  139    HB2  TYR  22           2HB      TYR  22  -5.914   6.922  -0.793
  140    HB3  TYR  22           1HB      TYR  22  -6.387   5.279  -0.383
  141    HD1  TYR  22           2HD      TYR  22  -6.272   3.959  -3.028
  142    HD2  TYR  22           1HD      TYR  22  -3.645   6.815  -1.292
  143    HE1  TYR  22           2HE      TYR  22  -4.518   3.193  -4.477
  144    HE2  TYR  22           1HE      TYR  22  -1.855   6.070  -2.772
  145    HH   TYR  22           HH       TYR  22  -2.367   4.131  -5.440
  146    HA   PRO  23           HA       PRO  23 -10.728   8.731  -0.845
  147    HB2  PRO  23           2HB      PRO  23 -13.028   7.282  -0.756
  148    HB3  PRO  23           1HB      PRO  23 -12.318   7.878  -2.269
  149    HG2  PRO  23           2HG      PRO  23 -12.063   5.161  -1.058
  150    HG3  PRO  23           1HG      PRO  23 -12.509   5.606  -2.716
  151    HD2  PRO  23           2HD      PRO  23 -10.019   4.872  -2.098
  152    HD3  PRO  23           1HD      PRO  23 -10.323   6.149  -3.290
  153    H    PHE  24           H        PHE  24 -10.047   5.724   0.528
  154    HA   PHE  24           HA       PHE  24 -11.285   6.291   3.090
  155    HB2  PHE  24           2HB      PHE  24 -10.195   3.929   3.535
  156    HB3  PHE  24           1HB      PHE  24 -11.673   4.073   2.585
  157    HD1  PHE  24           2HD      PHE  24  -8.000   3.607   2.348
  158    HD2  PHE  24           1HD      PHE  24 -11.738   3.485   0.333
  159    HE1  PHE  24           2HE      PHE  24  -6.925   2.558   0.414
  160    HE2  PHE  24           1HE      PHE  24 -10.695   2.472  -1.592
  161    HZ   PHE  24           HZ       PHE  24  -8.262   1.979  -1.578
  162    H    CYS  25           H        CYS  25  -8.539   7.212   1.633
  163    HA   CYS  25           HA       CYS  25  -6.978   6.965   4.084
  164    HB2  CYS  25           2HB      CYS  25  -5.996   7.419   1.272
  165    HB3  CYS  25           1HB      CYS  25  -4.990   7.306   2.707
  166    H    HIS  26           H        HIS  26  -7.708   8.748   5.114
  167    HA   HIS  26           HA       HIS  26  -7.347  11.330   3.835
  168    HB2  HIS  26           2HB      HIS  26  -8.209  10.633   6.679
  169    HB3  HIS  26           1HB      HIS  26  -8.274  12.229   5.944
  170    HD1  HIS  26           1HD      HIS  26 -10.159   9.031   6.186
  171    HD2  HIS  26           2HD      HIS  26 -10.307  12.550   3.979
  172    HE1  HIS  26           1HE      HIS  26 -12.412   9.054   5.088
  173    H    CYS  27           H        CYS  27  -5.285  11.827   3.688
  174    HA   CYS  27           HA       CYS  27  -3.419  10.479   5.354
  175    HB2  CYS  27           2HB      CYS  27  -2.959  12.374   3.079
  176    HB3  CYS  27           1HB      CYS  27  -1.724  11.398   3.864
  177    H    ARG  28           H        ARG  28  -1.794  11.312   6.537
  178    HA   ARG  28           HA       ARG  28  -2.384  13.374   8.287
  179    HB2  ARG  28           2HB      ARG  28  -0.034  13.021   9.097
  180    HB3  ARG  28           1HB      ARG  28  -1.000  11.560   9.013
  181    HG2  ARG  28           2HG      ARG  28   0.133  10.936   6.914
  182    HG3  ARG  28           1HG      ARG  28   1.086  12.413   7.002
  183    HD2  ARG  28           2HD      ARG  28   1.127  10.129   8.982
  184    HD3  ARG  28           1HD      ARG  28   2.380  10.498   7.801
  185    HE   ARG  28           HE       ARG  28   1.766  12.646   9.609
  186   HH11  ARG  28          1HH1      ARG  28   4.016   9.917   9.003
  187   HH12  ARG  28          2HH1      ARG  28   5.023  10.344  10.292
  188   HH21  ARG  28          1HH2      ARG  28   3.191  13.186  11.307
  189   HH22  ARG  28          2HH2      ARG  28   4.573  12.226  11.636
  190    HN1  NH2  29           1H       ARG  28  -2.750  15.284   7.268
  191    HN2  NH2  29           2H       ARG  28  -1.523  16.236   6.513
  Start of MODEL   12
    1    H1   HIS   1           1HT      HIS   1  12.838 -13.445  -4.021
    2    H2   HIS   1           2HT      HIS   1  12.277 -13.585  -5.572
    3    H3   HIS   1           3HT      HIS   1  12.581 -14.984  -4.682
    4    HA   HIS   1           HA       HIS   1  10.217 -14.505  -4.841
    5    HB2  HIS   1           2HB      HIS   1  11.355 -13.933  -2.080
    6    HB3  HIS   1           1HB      HIS   1   9.679 -14.352  -2.402
    7    HD1  HIS   1           1HD      HIS   1  12.739 -15.860  -1.317
    8    HD2  HIS   1           2HD      HIS   1   9.565 -17.067  -3.714
    9    HE1  HIS   1           1HE      HIS   1  12.835 -18.374  -1.387
   10    H    GLY   2           H        GLY   2   8.647 -12.891  -3.347
   11    HA2  GLY   2           2HA      GLY   2   9.354 -10.278  -4.465
   12    HA3  GLY   2           1HA      GLY   2   7.716 -10.850  -4.173
   13    H    GLU   3           H        GLU   3   8.687  -8.408  -3.289
   14    HA   GLU   3           HA       GLU   3   8.451  -8.774  -0.395
   15    HB2  GLU   3           2HB      GLU   3  10.086  -6.947  -0.030
   16    HB3  GLU   3           1HB      GLU   3  10.809  -8.351  -0.799
   17    HG2  GLU   3           2HG      GLU   3  10.728  -7.220  -2.956
   18    HG3  GLU   3           1HG      GLU   3   9.959  -5.828  -2.204
   19    H    GLY   4           H        GLY   4   6.742  -7.958  -2.749
   20    HA2  GLY   4           2HA      GLY   4   5.672  -5.518  -1.551
   21    HA3  GLY   4           1HA      GLY   4   6.104  -5.478  -3.253
   22    H    THR   5           H        THR   5   4.421  -7.758  -1.104
   23    HA   THR   5           HA       THR   5   2.671  -8.669  -3.139
   24    HB   THR   5           HB       THR   5   2.373  -8.863  -0.128
   25    HG1  THR   5           1HG      THR   5   4.187  -9.857  -1.748
   26   HG21  THR   5          3HG2      THR   5   1.188 -10.551  -2.359
   27   HG22  THR   5          1HG2      THR   5   0.300  -9.414  -1.343
   28   HG23  THR   5          2HG2      THR   5   1.006 -10.864  -0.632
   29    H    PHE   6           H        PHE   6   2.325  -6.350  -0.489
   30    HA   PHE   6           HA       PHE   6  -0.091  -5.403  -1.806
   31    HB2  PHE   6           2HB      PHE   6  -0.343  -6.775   0.417
   32    HB3  PHE   6           1HB      PHE   6   0.264  -5.309   1.172
   33    HD1  PHE   6           1HD      PHE   6  -1.065  -3.261   1.147
   34    HD2  PHE   6           2HD      PHE   6  -2.488  -6.878  -0.546
   35    HE1  PHE   6           1HE      PHE   6  -3.351  -2.337   1.094
   36    HE2  PHE   6           2HE      PHE   6  -4.740  -5.998  -0.612
   37    HZ   PHE   6           HZ       PHE   6  -5.202  -3.698   0.208
   38    H    THR   7           H        THR   7   0.335  -3.449  -2.482
   39    HA   THR   7           HA       THR   7   2.305  -1.850  -1.008
   40    HB   THR   7           HB       THR   7   2.920  -2.392  -3.350
   41    HG1  THR   7           1HG      THR   7   3.633  -0.437  -3.821
   42   HG21  THR   7          3HG2      THR   7   0.465  -0.792  -4.086
   43   HG22  THR   7          1HG2      THR   7   0.692  -2.523  -4.334
   44   HG23  THR   7          2HG2      THR   7   1.690  -1.370  -5.219
   45    H    SER   8           H        SER   8  -0.968  -2.138  -1.755
   46    HA   SER   8           HA       SER   8  -1.601   0.653  -1.885
   47    HB2  SER   8           2HB      SER   8  -3.419  -1.747  -1.679
   48    HB3  SER   8           1HB      SER   8  -3.883  -0.114  -2.156
   49    HG   SER   8           HG       SER   8  -3.436  -0.755  -4.078
   50    H    ASP   9           H        ASP   9  -0.506  -0.796   0.673
   51    HA   ASP   9           HA       ASP   9  -2.406  -0.763   2.703
   52    HB2  ASP   9           2HB      ASP   9   0.545  -0.195   2.801
   53    HB3  ASP   9           1HB      ASP   9  -0.440  -0.217   4.255
   54    H    CYS  10           H        CYS  10  -3.406   0.741   3.825
   55    HA   CYS  10           HA       CYS  10  -3.540   3.319   2.729
   56    HB2  CYS  10           2HB      CYS  10  -5.380   2.054   3.985
   57    HB3  CYS  10           1HB      CYS  10  -4.595   2.608   5.463
   58    H    SER  11           H        SER  11  -1.948   2.091   5.652
   59    HA   SER  11           HA       SER  11  -1.094   4.574   6.641
   60    HB2  SER  11           2HB      SER  11   0.230   1.864   6.921
   61    HB3  SER  11           1HB      SER  11   0.513   3.268   7.951
   62    HG   SER  11           HG       SER  11  -1.216   1.428   8.333
   63    H    LYS  12           H        LYS  12   0.177   2.425   4.172
   64    HA   LYS  12           HA       LYS  12   2.687   3.687   3.978
   65    HB2  LYS  12           2HB      LYS  12   2.416   1.435   3.103
   66    HB3  LYS  12           1HB      LYS  12   1.212   2.022   1.951
   67    HG2  LYS  12           2HG      LYS  12   2.897   3.417   0.882
   68    HG3  LYS  12           1HG      LYS  12   4.104   2.830   2.019
   69    HD2  LYS  12           2HD      LYS  12   3.875   0.610   1.176
   70    HD3  LYS  12           1HD      LYS  12   2.562   1.110   0.098
   71    HE2  LYS  12           2HE      LYS  12   4.086   2.600  -1.075
   72    HE3  LYS  12           1HE      LYS  12   5.392   2.162   0.019
   73    HZ1  LYS  12           3HZ      LYS  12   5.596   0.973  -1.997
   74    HZ2  LYS  12           1HZ      LYS  12   4.024   0.357  -1.901
   75    HZ3  LYS  12           2HZ      LYS  12   5.193  -0.118  -0.781
   76    H    GLN  13           H        GLN  13  -0.441   4.072   2.326
   77    HA   GLN  13           HA       GLN  13   0.553   5.807   0.408
   78    HB2  GLN  13           2HB      GLN  13  -2.256   5.435   1.400
   79    HB3  GLN  13           1HB      GLN  13  -1.789   6.248  -0.096
   80    HG2  GLN  13           2HG      GLN  13  -1.357   3.353   0.599
   81    HG3  GLN  13           1HG      GLN  13  -2.443   4.009  -0.628
   82   HE21  GLN  13          1HE2      GLN  13  -0.184   2.134  -0.885
   83   HE22  GLN  13          2HE2      GLN  13   0.845   2.853  -2.048
   84    H    CYS  14           H        CYS  14  -0.569   6.300   3.635
   85    HA   CYS  14           HA       CYS  14  -0.658   9.129   3.349
   86    HB2  CYS  14           2HB      CYS  14  -0.672   7.375   5.785
   87    HB3  CYS  14           1HB      CYS  14  -0.832   9.131   5.844
   88    H    GLU  15           H        GLU  15   1.833   6.804   4.420
   89    HA   GLU  15           HA       GLU  15   3.564   8.924   5.253
   90    HB2  GLU  15           2HB      GLU  15   5.335   7.244   5.479
   91    HB3  GLU  15           1HB      GLU  15   3.831   6.605   6.130
   92    HG2  GLU  15           2HG      GLU  15   3.484   5.298   4.225
   93    HG3  GLU  15           1HG      GLU  15   4.868   5.991   3.403
   94    H    GLU  16           H        GLU  16   3.022   7.215   2.263
   95    HA   GLU  16           HA       GLU  16   5.165   8.443   0.844
   96    HB2  GLU  16           2HB      GLU  16   2.611   7.153  -0.132
   97    HB3  GLU  16           1HB      GLU  16   3.894   7.715  -1.192
   98    HG2  GLU  16           2HG      GLU  16   4.169   5.574   0.904
   99    HG3  GLU  16           1HG      GLU  16   3.966   5.298  -0.824
  100    H    GLY  17           H        GLY  17   2.005   9.361   1.786
  101    HA2  GLY  17           2HA      GLY  17   1.009  11.433   1.781
  102    HA3  GLY  17           1HA      GLY  17   2.442  12.070   0.983
  103    H    ILE  18           H        ILE  18   0.425   9.434  -0.113
  104    HA   ILE  18           HA       ILE  18   0.102  10.905  -2.613
  105    HB   ILE  18           HB       ILE  18  -0.566   7.982  -2.087
  106   HG12  ILE  18          2HG1      ILE  18   1.820   9.219  -3.430
  107   HG13  ILE  18          1HG1      ILE  18   1.837   8.454  -1.838
  108   HG21  ILE  18          1HG2      ILE  18  -1.811   8.869  -3.983
  109   HG22  ILE  18          2HG2      ILE  18  -0.522   7.820  -4.570
  110   HG23  ILE  18          3HG2      ILE  18  -0.339   9.570  -4.652
  111   HD11  ILE  18          3HD1      ILE  18   2.758   6.989  -3.552
  112   HD12  ILE  18          1HD1      ILE  18   1.253   7.122  -4.468
  113   HD13  ILE  18          2HD1      ILE  18   1.254   6.327  -2.896
  114    H    GLY  19           H        GLY  19  -2.098   8.580  -1.087
  115    HA2  GLY  19           2HA      GLY  19  -4.323   8.778  -0.447
  116    HA3  GLY  19           1HA      GLY  19  -4.174  10.513  -0.633
  117    H    HIS  20           H        HIS  20  -3.141   9.672  -3.447
  118    HA   HIS  20           HA       HIS  20  -5.594  10.095  -4.864
  119    HB2  HIS  20           2HB      HIS  20  -3.389  10.970  -5.656
  120    HB3  HIS  20           1HB      HIS  20  -2.846   9.310  -5.861
  121    HD1  HIS  20           1HD      HIS  20  -2.947   8.584  -8.296
  122    HD2  HIS  20           2HD      HIS  20  -5.866  11.382  -7.318
  123    HE1  HIS  20           1HE      HIS  20  -4.190   9.063 -10.418
  124    H    LYS  21           H        LYS  21  -6.973   8.527  -5.459
  125    HA   LYS  21           HA       LYS  21  -7.844   6.514  -6.061
  126    HB2  LYS  21           2HB      LYS  21  -4.994   5.489  -6.139
  127    HB3  LYS  21           1HB      LYS  21  -6.414   4.599  -6.673
  128    HG2  LYS  21           2HG      LYS  21  -6.792   6.151  -8.460
  129    HG3  LYS  21           1HG      LYS  21  -5.521   7.215  -7.860
  130    HD2  LYS  21           2HD      LYS  21  -4.768   5.930  -9.781
  131    HD3  LYS  21           1HD      LYS  21  -3.854   5.494  -8.342
  132    HE2  LYS  21           2HE      LYS  21  -5.248   3.493  -8.070
  133    HE3  LYS  21           1HE      LYS  21  -6.170   3.958  -9.500
  134    HZ1  LYS  21           3HZ      LYS  21  -4.459   2.274  -9.948
  135    HZ2  LYS  21           1HZ      LYS  21  -3.264   3.374  -9.493
  136    HZ3  LYS  21           2HZ      LYS  21  -4.230   3.683 -10.842
  137    H    TYR  22           H        TYR  22  -6.882   7.426  -3.324
  138    HA   TYR  22           HA       TYR  22  -7.662   4.916  -2.056
  139    HB2  TYR  22           2HB      TYR  22  -5.697   6.825  -0.785
  140    HB3  TYR  22           1HB      TYR  22  -6.069   5.178  -0.296
  141    HD1  TYR  22           2HD      TYR  22  -5.716   3.497  -2.464
  142    HD2  TYR  22           1HD      TYR  22  -3.597   7.067  -1.646
  143    HE1  TYR  22           2HE      TYR  22  -3.903   2.711  -3.859
  144    HE2  TYR  22           1HE      TYR  22  -1.768   6.337  -3.078
  145    HH   TYR  22           HH       TYR  22  -0.851   4.211  -3.851
  146    HA   PRO  23           HA       PRO  23 -10.578   8.342  -1.293
  147    HB2  PRO  23           2HB      PRO  23 -12.674   6.703  -0.613
  148    HB3  PRO  23           1HB      PRO  23 -12.196   7.117  -2.270
  149    HG2  PRO  23           2HG      PRO  23 -11.542   4.658  -0.710
  150    HG3  PRO  23           1HG      PRO  23 -12.098   4.809  -2.386
  151    HD2  PRO  23           2HD      PRO  23  -9.532   4.416  -1.783
  152    HD3  PRO  23           1HD      PRO  23 -10.005   5.440  -3.150
  153    H    PHE  24           H        PHE  24  -9.987   5.636   0.800
  154    HA   PHE  24           HA       PHE  24 -10.969   7.062   3.107
  155    HB2  PHE  24           2HB      PHE  24 -10.286   4.812   4.241
  156    HB3  PHE  24           1HB      PHE  24 -11.712   4.882   3.209
  157    HD1  PHE  24           2HD      PHE  24  -8.195   3.780   3.384
  158    HD2  PHE  24           1HD      PHE  24 -11.823   3.717   1.175
  159    HE1  PHE  24           2HE      PHE  24  -7.286   2.040   1.943
  160    HE2  PHE  24           1HE      PHE  24 -10.921   1.999  -0.287
  161    HZ   PHE  24           HZ       PHE  24  -8.635   1.133   0.091
  162    H    CYS  25           H        CYS  25  -8.031   6.869   1.516
  163    HA   CYS  25           HA       CYS  25  -6.559   7.076   4.018
  164    HB2  CYS  25           2HB      CYS  25  -5.430   6.936   1.223
  165    HB3  CYS  25           1HB      CYS  25  -4.504   6.925   2.716
  166    H    HIS  26           H        HIS  26  -7.751   8.950   4.356
  167    HA   HIS  26           HA       HIS  26  -6.334  11.165   3.204
  168    HB2  HIS  26           2HB      HIS  26  -8.249  12.627   4.037
  169    HB3  HIS  26           1HB      HIS  26  -8.577  11.528   2.703
  170    HD1  HIS  26           1HD      HIS  26  -9.803  12.466   6.040
  171    HD2  HIS  26           2HD      HIS  26 -10.106   9.283   3.414
  172    HE1  HIS  26           1HE      HIS  26 -11.867  11.188   6.752
  173    H    CYS  27           H        CYS  27  -4.697  11.553   4.307
  174    HA   CYS  27           HA       CYS  27  -4.923  11.591   7.203
  175    HB2  CYS  27           2HB      CYS  27  -2.569  10.891   5.441
  176    HB3  CYS  27           1HB      CYS  27  -2.465  11.092   7.187
  177    H    ARG  28           H        ARG  28  -3.678  13.201   8.280
  178    HA   ARG  28           HA       ARG  28  -3.770  15.688   6.843
  179    HB2  ARG  28           2HB      ARG  28  -3.272  16.682   9.128
  180    HB3  ARG  28           1HB      ARG  28  -4.770  15.786   8.992
  181    HG2  ARG  28           2HG      ARG  28  -3.726  13.857  10.081
  182    HG3  ARG  28           1HG      ARG  28  -2.215  14.759  10.212
  183    HD2  ARG  28           2HD      ARG  28  -3.264  16.377  11.653
  184    HD3  ARG  28           1HD      ARG  28  -4.835  15.608  11.432
  185    HE   ARG  28           HE       ARG  28  -3.036  13.707  12.398
  186   HH11  ARG  28          1HH1      ARG  28  -4.538  16.694  13.580
  187   HH12  ARG  28          2HH1      ARG  28  -4.705  16.144  15.174
  188   HH21  ARG  28          1HH2      ARG  28  -3.217  12.990  14.634
  189   HH22  ARG  28          2HH2      ARG  28  -3.942  14.023  15.789
  190    HN1  NH2  29           1H       ARG  28  -2.066  15.365   5.434
  191    HN2  NH2  29           2H       ARG  28  -0.418  15.578   5.921
  Start of MODEL   13
    1    H1   HIS   1           1HT      HIS   1   1.000  -2.089 -11.982
    2    H2   HIS   1           2HT      HIS   1   1.247  -1.372 -10.462
    3    H3   HIS   1           3HT      HIS   1   0.574  -2.910 -10.553
    4    HA   HIS   1           HA       HIS   1   2.595  -3.793 -11.456
    5    HB2  HIS   1           2HB      HIS   1   3.402  -1.672 -12.499
    6    HB3  HIS   1           1HB      HIS   1   3.664  -1.002 -10.897
    7    HD1  HIS   1           1HD      HIS   1   5.235  -3.217 -13.462
    8    HD2  HIS   1           2HD      HIS   1   5.895  -2.058  -9.518
    9    HE1  HIS   1           1HE      HIS   1   7.570  -3.940 -12.909
   10    H    GLY   2           H        GLY   2   3.226  -5.103  -9.911
   11    HA2  GLY   2           2HA      GLY   2   4.324  -5.609  -7.884
   12    HA3  GLY   2           1HA      GLY   2   3.874  -4.023  -7.273
   13    H    GLU   3           H        GLU   3   1.433  -5.740  -8.891
   14    HA   GLU   3           HA       GLU   3  -0.319  -5.724  -6.707
   15    HB2  GLU   3           2HB      GLU   3  -0.409  -7.215  -9.321
   16    HB3  GLU   3           1HB      GLU   3  -1.687  -7.358  -8.128
   17    HG2  GLU   3           2HG      GLU   3  -2.302  -5.785  -9.862
   18    HG3  GLU   3           1HG      GLU   3  -2.124  -4.959  -8.321
   19    H    GLY   4           H        GLY   4  -1.047  -7.305  -5.384
   20    HA2  GLY   4           2HA      GLY   4  -1.035  -9.506  -4.443
   21    HA3  GLY   4           1HA      GLY   4   0.435  -9.848  -5.359
   22    H    THR   5           H        THR   5   2.100  -7.929  -4.796
   23    HA   THR   5           HA       THR   5   2.818  -8.226  -2.028
   24    HB   THR   5           HB       THR   5   3.925  -6.530  -4.276
   25    HG1  THR   5           1HG      THR   5   5.489  -8.554  -3.338
   26   HG21  THR   5          3HG2      THR   5   5.952  -6.255  -2.868
   27   HG22  THR   5          1HG2      THR   5   5.122  -7.071  -1.540
   28   HG23  THR   5          2HG2      THR   5   4.530  -5.520  -2.136
   29    H    PHE   6           H        PHE   6   1.661  -5.709  -4.193
   30    HA   PHE   6           HA       PHE   6   0.954  -4.078  -1.889
   31    HB2  PHE   6           2HB      PHE   6   3.059  -3.412  -3.141
   32    HB3  PHE   6           1HB      PHE   6   2.020  -3.080  -4.517
   33    HD1  PHE   6           2HD      PHE   6   0.422  -1.194  -4.424
   34    HD2  PHE   6           1HD      PHE   6   3.161  -2.018  -1.286
   35    HE1  PHE   6           2HE      PHE   6   0.066   1.051  -3.536
   36    HE2  PHE   6           1HE      PHE   6   2.835   0.198  -0.389
   37    HZ   PHE   6           HZ       PHE   6   1.280   1.776  -1.494
   38    H    THR   7           H        THR   7  -1.134  -3.815  -1.965
   39    HA   THR   7           HA       THR   7  -2.419  -3.710  -4.558
   40    HB   THR   7           HB       THR   7  -3.442  -5.505  -3.379
   41    HG1  THR   7           1HG      THR   7  -5.245  -4.776  -4.004
   42   HG21  THR   7          3HG2      THR   7  -2.605  -5.102  -1.146
   43   HG22  THR   7          1HG2      THR   7  -4.352  -5.345  -1.087
   44   HG23  THR   7          2HG2      THR   7  -3.677  -3.716  -0.965
   45    H    SER   8           H        SER   8  -2.402  -2.281  -1.320
   46    HA   SER   8           HA       SER   8  -1.794   0.237  -1.864
   47    HB2  SER   8           2HB      SER   8  -3.932   0.342  -3.230
   48    HB3  SER   8           1HB      SER   8  -4.819   0.104  -1.720
   49    HG   SER   8           HG       SER   8  -4.165   2.372  -2.647
   50    H    ASP   9           H        ASP   9  -0.864   0.061   0.105
   51    HA   ASP   9           HA       ASP   9  -2.571  -0.536   2.407
   52    HB2  ASP   9           2HB      ASP   9  -0.239  -1.506   2.384
   53    HB3  ASP   9           1HB      ASP   9   0.333   0.179   2.402
   54    H    CYS  10           H        CYS  10  -3.528   0.997   3.475
   55    HA   CYS  10           HA       CYS  10  -3.405   3.646   2.653
   56    HB2  CYS  10           2HB      CYS  10  -5.308   2.470   3.870
   57    HB3  CYS  10           1HB      CYS  10  -4.405   2.778   5.353
   58    H    SER  11           H        SER  11  -1.705   1.962   5.264
   59    HA   SER  11           HA       SER  11  -0.837   4.337   6.434
   60    HB2  SER  11           2HB      SER  11  -0.815   2.161   7.662
   61    HB3  SER  11           1HB      SER  11   0.527   1.646   6.641
   62    HG   SER  11           HG       SER  11   1.830   3.255   7.539
   63    H    LYS  12           H        LYS  12   0.516   2.249   3.972
   64    HA   LYS  12           HA       LYS  12   2.999   3.614   3.823
   65    HB2  LYS  12           2HB      LYS  12   1.603   2.004   1.685
   66    HB3  LYS  12           1HB      LYS  12   3.300   2.483   1.672
   67    HG2  LYS  12           2HG      LYS  12   3.703   1.205   3.678
   68    HG3  LYS  12           1HG      LYS  12   2.006   0.749   3.747
   69    HD2  LYS  12           2HD      LYS  12   2.311  -0.305   1.497
   70    HD3  LYS  12           1HD      LYS  12   4.055  -0.036   1.696
   71    HE2  LYS  12           2HE      LYS  12   3.914  -1.236   3.848
   72    HE3  LYS  12           1HE      LYS  12   2.214  -1.534   3.480
   73    HZ1  LYS  12           3HZ      LYS  12   3.591  -3.456   2.935
   74    HZ2  LYS  12           1HZ      LYS  12   4.517  -2.552   1.870
   75    HZ3  LYS  12           2HZ      LYS  12   2.903  -2.845   1.531
   76    H    GLN  13           H        GLN  13  -0.051   3.914   2.122
   77    HA   GLN  13           HA       GLN  13   0.631   5.926   0.334
   78    HB2  GLN  13           2HB      GLN  13  -2.001   5.669   1.782
   79    HB3  GLN  13           1HB      GLN  13  -1.714   6.574   0.310
   80    HG2  GLN  13           2HG      GLN  13  -1.767   3.600   0.699
   81    HG3  GLN  13           1HG      GLN  13  -2.799   4.590  -0.323
   82   HE21  GLN  13          1HE2      GLN  13  -1.501   2.361  -1.185
   83   HE22  GLN  13          2HE2      GLN  13  -0.317   2.814  -2.380
   84    H    CYS  14           H        CYS  14  -0.569   6.250   3.662
   85    HA   CYS  14           HA       CYS  14  -0.460   9.084   3.576
   86    HB2  CYS  14           2HB      CYS  14  -0.755   7.224   5.938
   87    HB3  CYS  14           1HB      CYS  14  -1.004   8.969   5.978
   88    H    GLU  15           H        GLU  15   1.813   6.617   4.663
   89    HA   GLU  15           HA       GLU  15   3.552   8.527   5.849
   90    HB2  GLU  15           2HB      GLU  15   4.037   5.654   5.050
   91    HB3  GLU  15           1HB      GLU  15   5.199   6.643   5.928
   92    HG2  GLU  15           2HG      GLU  15   3.584   6.926   7.746
   93    HG3  GLU  15           1HG      GLU  15   2.433   5.925   6.870
   94    H    GLU  16           H        GLU  16   3.224   7.189   2.635
   95    HA   GLU  16           HA       GLU  16   5.577   8.508   1.698
   96    HB2  GLU  16           2HB      GLU  16   3.236   7.325   0.192
   97    HB3  GLU  16           1HB      GLU  16   4.619   8.060  -0.604
   98    HG2  GLU  16           2HG      GLU  16   6.087   6.399   0.485
   99    HG3  GLU  16           1HG      GLU  16   4.661   5.641   1.189
  100    H    GLY  17           H        GLY  17   2.437   9.421   2.444
  101    HA2  GLY  17           2HA      GLY  17   1.737  11.624   2.784
  102    HA3  GLY  17           1HA      GLY  17   3.086  12.174   1.799
  103    H    ILE  18           H        ILE  18   0.823   9.720   0.804
  104    HA   ILE  18           HA       ILE  18   0.095  11.484  -1.406
  105    HB   ILE  18           HB       ILE  18  -0.498   8.522  -1.199
  106   HG12  ILE  18          2HG1      ILE  18   1.817   9.896  -2.586
  107   HG13  ILE  18          1HG1      ILE  18   1.940   8.986  -1.086
  108   HG21  ILE  18          1HG2      ILE  18  -0.695   8.748  -3.683
  109   HG22  ILE  18          2HG2      ILE  18  -0.476  10.491  -3.509
  110   HG23  ILE  18          3HG2      ILE  18  -1.884   9.708  -2.808
  111   HD11  ILE  18          3HD1      ILE  18   1.220   6.978  -2.258
  112   HD12  ILE  18          1HD1      ILE  18   2.678   7.672  -2.967
  113   HD13  ILE  18          2HD1      ILE  18   1.117   7.902  -3.758
  114    H    GLY  19           H        GLY  19  -1.932   8.882  -0.131
  115    HA2  GLY  19           2HA      GLY  19  -4.093   8.966   0.699
  116    HA3  GLY  19           1HA      GLY  19  -3.782  10.644   1.139
  117    H    HIS  20           H        HIS  20  -3.482   9.388  -2.118
  118    HA   HIS  20           HA       HIS  20  -5.799  10.979  -2.928
  119    HB2  HIS  20           2HB      HIS  20  -3.747  12.286  -3.342
  120    HB3  HIS  20           1HB      HIS  20  -3.074  10.917  -4.223
  121    HD1  HIS  20           1HD      HIS  20  -3.109  11.464  -6.670
  122    HD2  HIS  20           2HD      HIS  20  -6.498  12.826  -4.698
  123    HE1  HIS  20           1HE      HIS  20  -4.582  12.477  -8.441
  124    H    LYS  21           H        LYS  21  -7.143   9.823  -4.085
  125    HA   LYS  21           HA       LYS  21  -8.088   8.272  -5.421
  126    HB2  LYS  21           2HB      LYS  21  -5.283   7.504  -6.283
  127    HB3  LYS  21           1HB      LYS  21  -6.763   6.964  -7.053
  128    HG2  LYS  21           2HG      LYS  21  -5.755   9.808  -6.936
  129    HG3  LYS  21           1HG      LYS  21  -5.689   8.761  -8.344
  130    HD2  LYS  21           2HD      LYS  21  -8.229   9.675  -6.973
  131    HD3  LYS  21           1HD      LYS  21  -7.546  10.414  -8.413
  132    HE2  LYS  21           2HE      LYS  21  -8.456   7.533  -8.217
  133    HE3  LYS  21           1HE      LYS  21  -9.401   8.855  -8.893
  134    HZ1  LYS  21           3HZ      LYS  21  -8.329   7.628 -10.634
  135    HZ2  LYS  21           1HZ      LYS  21  -6.794   7.900  -9.972
  136    HZ3  LYS  21           2HZ      LYS  21  -7.715   9.178 -10.559
  137    H    TYR  22           H        TYR  22  -7.194   7.917  -2.720
  138    HA   TYR  22           HA       TYR  22  -7.476   5.025  -2.599
  139    HB2  TYR  22           2HB      TYR  22  -5.779   6.629  -0.634
  140    HB3  TYR  22           1HB      TYR  22  -5.898   4.874  -0.746
  141    HD1  TYR  22           1HD      TYR  22  -5.532   4.366  -3.572
  142    HD2  TYR  22           2HD      TYR  22  -3.505   7.194  -1.108
  143    HE1  TYR  22           1HE      TYR  22  -3.678   4.373  -5.122
  144    HE2  TYR  22           2HE      TYR  22  -1.657   7.216  -2.678
  145    HH   TYR  22           HH       TYR  22  -1.832   5.985  -5.750
  146    HA   PRO  23           HA       PRO  23 -11.003   7.308  -0.841
  147    HB2  PRO  23           2HB      PRO  23 -12.728   5.189  -0.832
  148    HB3  PRO  23           1HB      PRO  23 -12.286   6.124  -2.273
  149    HG2  PRO  23           2HG      PRO  23 -11.134   3.532  -1.350
  150    HG3  PRO  23           1HG      PRO  23 -11.757   3.973  -2.954
  151    HD2  PRO  23           2HD      PRO  23  -9.167   4.008  -2.433
  152    HD3  PRO  23           1HD      PRO  23  -9.896   5.271  -3.449
  153    H    PHE  24           H        PHE  24  -9.360   4.727   0.481
  154    HA   PHE  24           HA       PHE  24 -10.819   4.784   2.984
  155    HB2  PHE  24           2HB      PHE  24  -9.116   2.850   3.470
  156    HB3  PHE  24           1HB      PHE  24 -10.494   2.564   2.414
  157    HD1  PHE  24           2HD      PHE  24 -10.214   2.328   0.049
  158    HD2  PHE  24           1HD      PHE  24  -6.856   2.933   2.566
  159    HE1  PHE  24           2HE      PHE  24  -8.781   1.696  -1.782
  160    HE2  PHE  24           1HE      PHE  24  -5.361   2.273   0.722
  161    HZ   PHE  24           HZ       PHE  24  -6.310   1.649  -1.464
  162    H    CYS  25           H        CYS  25  -8.581   6.688   1.709
  163    HA   CYS  25           HA       CYS  25  -7.133   6.950   4.247
  164    HB2  CYS  25           2HB      CYS  25  -6.007   7.364   1.483
  165    HB3  CYS  25           1HB      CYS  25  -5.162   7.653   2.994
  166    H    HIS  26           H        HIS  26  -7.791   8.820   5.128
  167    HA   HIS  26           HA       HIS  26  -7.876  11.136   3.344
  168    HB2  HIS  26           2HB      HIS  26  -9.050  10.794   6.131
  169    HB3  HIS  26           1HB      HIS  26  -8.982  12.325   5.276
  170    HD1  HIS  26           1HD      HIS  26 -11.110   9.360   5.699
  171    HD2  HIS  26           2HD      HIS  26 -10.526  12.347   2.868
  172    HE1  HIS  26           1HE      HIS  26 -13.149   9.324   4.234
  173    H    CYS  27           H        CYS  27  -5.862  11.752   3.211
  174    HA   CYS  27           HA       CYS  27  -4.405  12.395   5.616
  175    HB2  CYS  27           2HB      CYS  27  -3.367  10.461   3.513
  176    HB3  CYS  27           1HB      CYS  27  -2.368  11.187   4.762
  177    H    ARG  28           H        ARG  28  -2.427  13.608   4.981
  178    HA   ARG  28           HA       ARG  28  -3.192  15.632   3.138
  179    HB2  ARG  28           2HB      ARG  28  -0.554  15.268   4.572
  180    HB3  ARG  28           1HB      ARG  28  -1.117  16.741   3.802
  181    HG2  ARG  28           2HG      ARG  28  -2.379  15.404   6.186
  182    HG3  ARG  28           1HG      ARG  28  -1.344  16.826   6.232
  183    HD2  ARG  28           2HD      ARG  28  -4.009  16.645   4.802
  184    HD3  ARG  28           1HD      ARG  28  -3.779  17.352   6.393
  185    HE   ARG  28           HE       ARG  28  -2.095  18.531   4.408
  186   HH11  ARG  28          1HH1      ARG  28  -5.413  18.612   5.669
  187   HH12  ARG  28          2HH1      ARG  28  -5.662  20.250   5.263
  188   HH21  ARG  28          1HH2      ARG  28  -2.463  20.749   3.863
  189   HH22  ARG  28          2HH2      ARG  28  -3.941  21.507   4.212
  190    HN1  NH2  29           1H       ARG  28  -0.090  13.942   3.211
  191    HN2  NH2  29           2H       ARG  28   0.052  13.774   1.496
  Start of MODEL   14
    1    H1   HIS   1           1HT      HIS   1   7.194   0.276  -5.992
    2    H2   HIS   1           2HT      HIS   1   6.921   1.673  -5.068
    3    H3   HIS   1           3HT      HIS   1   6.349   0.204  -4.533
    4    HA   HIS   1           HA       HIS   1   8.538  -0.617  -4.172
    5    HB2  HIS   1           2HB      HIS   1   9.355   2.123  -5.179
    6    HB3  HIS   1           1HB      HIS   1  10.428   1.064  -4.283
    7    HD1  HIS   1           1HD      HIS   1   8.839   1.476  -7.698
    8    HD2  HIS   1           2HD      HIS   1  11.519  -1.027  -5.725
    9    HE1  HIS   1           1HE      HIS   1   9.968   0.126  -9.479
   10    H    GLY   2           H        GLY   2   9.787  -0.001  -2.207
   11    HA2  GLY   2           2HA      GLY   2   9.941   1.677  -0.426
   12    HA3  GLY   2           1HA      GLY   2   8.197   1.856  -0.577
   13    H    GLU   3           H        GLU   3   8.546  -1.261  -1.109
   14    HA   GLU   3           HA       GLU   3   8.311  -3.156  -0.038
   15    HB2  GLU   3           2HB      GLU   3   9.577  -1.747   2.314
   16    HB3  GLU   3           1HB      GLU   3   9.079  -3.432   2.367
   17    HG2  GLU   3           2HG      GLU   3  11.108  -2.245   0.488
   18    HG3  GLU   3           1HG      GLU   3  11.454  -3.226   1.914
   19    H    GLY   4           H        GLY   4   6.224  -3.091  -0.381
   20    HA2  GLY   4           2HA      GLY   4   4.629  -2.981   2.015
   21    HA3  GLY   4           1HA      GLY   4   4.136  -1.968   0.653
   22    H    THR   5           H        THR   5   3.281  -4.615   2.005
   23    HA   THR   5           HA       THR   5   3.420  -6.688   0.126
   24    HB   THR   5           HB       THR   5   1.233  -6.155   2.142
   25    HG1  THR   5           1HG      THR   5   3.826  -7.275   2.391
   26   HG21  THR   5          3HG2      THR   5   0.718  -7.964   0.573
   27   HG22  THR   5          1HG2      THR   5   1.030  -8.616   2.181
   28   HG23  THR   5          2HG2      THR   5   2.266  -8.734   0.925
   29    H    PHE   6           H        PHE   6   1.049  -4.128   0.681
   30    HA   PHE   6           HA       PHE   6  -0.209  -4.880  -1.856
   31    HB2  PHE   6           2HB      PHE   6  -1.474  -5.185   0.405
   32    HB3  PHE   6           1HB      PHE   6  -1.650  -3.435   0.336
   33    HD1  PHE   6           1HD      PHE   6  -2.322  -6.561  -1.442
   34    HD2  PHE   6           2HD      PHE   6  -3.310  -2.447  -1.066
   35    HE1  PHE   6           1HE      PHE   6  -4.224  -6.921  -2.888
   36    HE2  PHE   6           2HE      PHE   6  -5.268  -2.795  -2.539
   37    HZ   PHE   6           HZ       PHE   6  -5.730  -5.027  -3.456
   38    H    THR   7           H        THR   7  -0.465  -3.238  -3.285
   39    HA   THR   7           HA       THR   7   1.073  -0.946  -3.095
   40    HB   THR   7           HB       THR   7  -1.303  -1.573  -4.837
   41    HG1  THR   7           1HG      THR   7   0.870  -1.708  -6.232
   42   HG21  THR   7          3HG2      THR   7   0.816   0.556  -5.136
   43   HG22  THR   7          1HG2      THR   7  -0.898   0.796  -4.804
   44   HG23  THR   7          2HG2      THR   7  -0.390   0.144  -6.370
   45    H    SER   8           H        SER   8  -2.427  -1.362  -2.714
   46    HA   SER   8           HA       SER   8  -2.819   1.422  -2.094
   47    HB2  SER   8           2HB      SER   8  -4.772  -0.864  -1.991
   48    HB3  SER   8           1HB      SER   8  -5.129   0.854  -2.167
   49    HG   SER   8           HG       SER   8  -4.701   0.764  -4.193
   50    H    ASP   9           H        ASP   9  -1.142  -0.010  -0.166
   51    HA   ASP   9           HA       ASP   9  -2.719  -0.694   2.161
   52    HB2  ASP   9           2HB      ASP   9  -0.258  -1.445   1.732
   53    HB3  ASP   9           1HB      ASP   9   0.098   0.215   2.256
   54    H    CYS  10           H        CYS  10  -3.734   0.734   3.276
   55    HA   CYS  10           HA       CYS  10  -3.692   3.452   2.790
   56    HB2  CYS  10           2HB      CYS  10  -5.524   2.030   3.815
   57    HB3  CYS  10           1HB      CYS  10  -4.664   2.207   5.345
   58    H    SER  11           H        SER  11  -1.790   1.602   5.111
   59    HA   SER  11           HA       SER  11  -1.152   3.852   6.687
   60    HB2  SER  11           2HB      SER  11   0.286   1.216   6.493
   61    HB3  SER  11           1HB      SER  11   0.423   2.387   7.805
   62    HG   SER  11           HG       SER  11  -2.119   1.936   7.662
   63    H    LYS  12           H        LYS  12   0.416   2.119   4.065
   64    HA   LYS  12           HA       LYS  12   2.902   3.530   4.281
   65    HB2  LYS  12           2HB      LYS  12   1.762   1.802   2.087
   66    HB3  LYS  12           1HB      LYS  12   3.324   2.583   1.981
   67    HG2  LYS  12           2HG      LYS  12   3.536   0.237   2.557
   68    HG3  LYS  12           1HG      LYS  12   4.130   1.269   3.852
   69    HD2  LYS  12           2HD      LYS  12   2.278   0.805   5.208
   70    HD3  LYS  12           1HD      LYS  12   1.341   0.164   3.862
   71    HE2  LYS  12           2HE      LYS  12   2.840  -1.627   3.639
   72    HE3  LYS  12           1HE      LYS  12   3.827  -1.049   4.998
   73    HZ1  LYS  12           3HZ      LYS  12   2.267  -2.844   5.712
   74    HZ2  LYS  12           1HZ      LYS  12   0.972  -1.958   5.123
   75    HZ3  LYS  12           2HZ      LYS  12   1.833  -1.393   6.446
   76    H    GLN  13           H        GLN  13   0.086   3.704   2.229
   77    HA   GLN  13           HA       GLN  13   1.063   5.651   0.502
   78    HB2  GLN  13           2HB      GLN  13  -1.823   5.236   1.239
   79    HB3  GLN  13           1HB      GLN  13  -1.217   5.952  -0.239
   80    HG2  GLN  13           2HG      GLN  13  -1.246   3.079   0.601
   81    HG3  GLN  13           1HG      GLN  13  -1.840   3.810  -0.883
   82   HE21  GLN  13          1HE2      GLN  13  -0.332   4.205  -2.584
   83   HE22  GLN  13          2HE2      GLN  13   1.229   3.484  -2.532
   84    H    CYS  14           H        CYS  14  -0.649   6.007   3.602
   85    HA   CYS  14           HA       CYS  14  -0.629   8.829   3.261
   86    HB2  CYS  14           2HB      CYS  14  -1.352   7.140   5.624
   87    HB3  CYS  14           1HB      CYS  14  -1.296   8.901   5.707
   88    H    GLU  15           H        GLU  15   1.649   6.582   4.543
   89    HA   GLU  15           HA       GLU  15   3.165   8.542   5.893
   90    HB2  GLU  15           2HB      GLU  15   3.948   5.851   4.782
   91    HB3  GLU  15           1HB      GLU  15   5.077   6.894   5.637
   92    HG2  GLU  15           2HG      GLU  15   2.515   5.781   6.765
   93    HG3  GLU  15           1HG      GLU  15   4.135   5.177   7.100
   94    H    GLU  16           H        GLU  16   2.872   7.671   2.579
   95    HA   GLU  16           HA       GLU  16   5.114   9.312   1.752
   96    HB2  GLU  16           2HB      GLU  16   2.825   8.183   0.133
   97    HB3  GLU  16           1HB      GLU  16   4.260   8.944  -0.530
   98    HG2  GLU  16           2HG      GLU  16   5.613   7.138   0.503
   99    HG3  GLU  16           1HG      GLU  16   4.109   6.361   0.990
  100    H    GLY  17           H        GLY  17   1.791   9.637   2.420
  101    HA2  GLY  17           2HA      GLY  17   0.522  11.545   2.734
  102    HA3  GLY  17           1HA      GLY  17   1.898  12.505   2.196
  103    H    ILE  18           H        ILE  18   0.531   9.843   0.403
  104    HA   ILE  18           HA       ILE  18   0.059  11.726  -1.688
  105    HB   ILE  18           HB       ILE  18  -0.276   9.725  -3.147
  106   HG12  ILE  18          2HG1      ILE  18   0.867   8.320  -0.724
  107   HG13  ILE  18          1HG1      ILE  18  -0.710   8.027  -1.442
  108   HG21  ILE  18          1HG2      ILE  18   1.750  11.058  -3.147
  109   HG22  ILE  18          2HG2      ILE  18   2.173   9.351  -3.302
  110   HG23  ILE  18          3HG2      ILE  18   2.364  10.170  -1.753
  111   HD11  ILE  18          3HD1      ILE  18   0.840   6.292  -2.091
  112   HD12  ILE  18          1HD1      ILE  18   1.956   7.528  -2.697
  113   HD13  ILE  18          2HD1      ILE  18   0.405   7.293  -3.494
  114    H    GLY  19           H        GLY  19  -1.950   8.977  -0.592
  115    HA2  GLY  19           2HA      GLY  19  -4.231   8.949  -0.160
  116    HA3  GLY  19           1HA      GLY  19  -4.221  10.693  -0.298
  117    H    HIS  20           H        HIS  20  -2.927   9.998  -3.072
  118    HA   HIS  20           HA       HIS  20  -5.307  10.359  -4.579
  119    HB2  HIS  20           2HB      HIS  20  -3.128  11.296  -5.279
  120    HB3  HIS  20           1HB      HIS  20  -2.502   9.667  -5.470
  121    HD1  HIS  20           1HD      HIS  20  -4.912  12.105  -7.119
  122    HD2  HIS  20           2HD      HIS  20  -3.051   8.463  -7.873
  123    HE1  HIS  20           1HE      HIS  20  -5.336  11.593  -9.538
  124    H    LYS  21           H        LYS  21  -6.698   8.840  -4.906
  125    HA   LYS  21           HA       LYS  21  -7.682   6.922  -5.554
  126    HB2  LYS  21           2HB      LYS  21  -4.930   5.709  -5.935
  127    HB3  LYS  21           1HB      LYS  21  -6.449   4.973  -6.417
  128    HG2  LYS  21           2HG      LYS  21  -5.220   7.478  -7.554
  129    HG3  LYS  21           1HG      LYS  21  -5.324   5.907  -8.345
  130    HD2  LYS  21           2HD      LYS  21  -7.787   6.085  -8.323
  131    HD3  LYS  21           1HD      LYS  21  -7.642   7.648  -7.527
  132    HE2  LYS  21           2HE      LYS  21  -6.439   8.532  -9.437
  133    HE3  LYS  21           1HE      LYS  21  -6.543   6.968 -10.241
  134    HZ1  LYS  21           3HZ      LYS  21  -8.952   7.191 -10.278
  135    HZ2  LYS  21           1HZ      LYS  21  -8.207   8.510 -11.030
  136    HZ3  LYS  21           2HZ      LYS  21  -8.839   8.685  -9.484
  137    H    TYR  22           H        TYR  22  -6.547   7.660  -2.862
  138    HA   TYR  22           HA       TYR  22  -7.284   5.075  -1.698
  139    HB2  TYR  22           2HB      TYR  22  -5.350   6.978  -0.342
  140    HB3  TYR  22           1HB      TYR  22  -5.665   5.291   0.057
  141    HD1  TYR  22           1HD      TYR  22  -5.358   3.788  -2.259
  142    HD2  TYR  22           2HD      TYR  22  -3.230   7.282  -1.194
  143    HE1  TYR  22           1HE      TYR  22  -3.553   3.135  -3.780
  144    HE2  TYR  22           2HE      TYR  22  -1.444   6.693  -2.718
  145    HH   TYR  22           HH       TYR  22  -1.714   4.180  -5.014
  146    HA   PRO  23           HA       PRO  23 -10.272   8.411  -0.481
  147    HB2  PRO  23           2HB      PRO  23 -12.502   6.882  -0.774
  148    HB3  PRO  23           1HB      PRO  23 -11.688   7.665  -2.142
  149    HG2  PRO  23           2HG      PRO  23 -11.476   4.846  -1.215
  150    HG3  PRO  23           1HG      PRO  23 -11.719   5.479  -2.852
  151    HD2  PRO  23           2HD      PRO  23  -9.294   4.708  -1.974
  152    HD3  PRO  23           1HD      PRO  23  -9.498   6.059  -3.098
  153    H    PHE  24           H        PHE  24  -9.457   5.391   0.718
  154    HA   PHE  24           HA       PHE  24 -11.064   5.636   3.123
  155    HB2  PHE  24           2HB      PHE  24  -9.975   3.295   3.576
  156    HB3  PHE  24           1HB      PHE  24 -11.253   3.428   2.375
  157    HD1  PHE  24           1HD      PHE  24 -10.718   3.409   0.020
  158    HD2  PHE  24           2HD      PHE  24  -7.731   2.680   2.935
  159    HE1  PHE  24           1HE      PHE  24  -9.319   2.533  -1.714
  160    HE2  PHE  24           2HE      PHE  24  -6.259   1.748   1.192
  161    HZ   PHE  24           HZ       PHE  24  -7.034   1.659  -1.152
  162    H    CYS  25           H        CYS  25  -8.499   7.098   2.220
  163    HA   CYS  25           HA       CYS  25  -7.061   6.755   4.745
  164    HB2  CYS  25           2HB      CYS  25  -5.870   7.199   2.021
  165    HB3  CYS  25           1HB      CYS  25  -4.991   7.091   3.540
  166    H    HIS  26           H        HIS  26  -6.546   8.667   5.693
  167    HA   HIS  26           HA       HIS  26  -6.984  11.054   4.068
  168    HB2  HIS  26           2HB      HIS  26  -6.902  10.789   7.104
  169    HB3  HIS  26           1HB      HIS  26  -7.109  12.300   6.230
  170    HD1  HIS  26           1HD      HIS  26  -9.288  11.529   8.228
  171    HD2  HIS  26           2HD      HIS  26  -9.357  10.432   4.220
  172    HE1  HIS  26           1HE      HIS  26 -11.690  11.018   7.696
  173    H    CYS  27           H        CYS  27  -5.123  11.295   3.106
  174    HA   CYS  27           HA       CYS  27  -2.639  11.023   4.644
  175    HB2  CYS  27           2HB      CYS  27  -3.071  11.062   1.656
  176    HB3  CYS  27           1HB      CYS  27  -1.560  10.772   2.492
  177    H    ARG  28           H        ARG  28  -4.437  13.171   4.682
  178    HA   ARG  28           HA       ARG  28  -3.578  15.419   3.189
  179    HB2  ARG  28           2HB      ARG  28  -5.138  15.147   5.749
  180    HB3  ARG  28           1HB      ARG  28  -4.835  16.693   4.980
  181    HG2  ARG  28           2HG      ARG  28  -6.059  15.966   3.005
  182    HG3  ARG  28           1HG      ARG  28  -6.318  14.382   3.741
  183    HD2  ARG  28           2HD      ARG  28  -8.276  15.877   3.934
  184    HD3  ARG  28           1HD      ARG  28  -7.643  15.373   5.498
  185    HE   ARG  28           HE       ARG  28  -6.611  17.880   4.537
  186   HH11  ARG  28          1HH1      ARG  28  -9.308  16.393   6.283
  187   HH12  ARG  28          2HH1      ARG  28  -9.594  17.737   7.292
  188   HH21  ARG  28          1HH2      ARG  28  -7.063  19.768   5.934
  189   HH22  ARG  28          2HH2      ARG  28  -8.321  19.641   7.096
  190    HN1  NH2  29           1H       ARG  28  -1.522  16.014   3.354
  191    HN2  NH2  29           2H       ARG  28  -0.644  16.259   4.825
  Start of MODEL   15
    1    H1   HIS   1           1HT      HIS   1   4.780   0.551   9.395
    2    H2   HIS   1           2HT      HIS   1   4.199   0.709   7.833
    3    H3   HIS   1           3HT      HIS   1   5.663   1.440   8.265
    4    HA   HIS   1           HA       HIS   1   6.006  -0.579   6.973
    5    HB2  HIS   1           2HB      HIS   1   7.657   0.162   8.775
    6    HB3  HIS   1           1HB      HIS   1   6.808  -0.869   9.899
    7    HD1  HIS   1           1HD      HIS   1   9.181  -1.066   6.901
    8    HD2  HIS   1           2HD      HIS   1   7.521  -3.516   9.848
    9    HE1  HIS   1           1HE      HIS   1  10.484  -3.176   6.852
   10    H    GLY   2           H        GLY   2   4.920  -2.387   6.397
   11    HA2  GLY   2           2HA      GLY   2   3.751  -4.072   8.429
   12    HA3  GLY   2           1HA      GLY   2   2.596  -3.284   7.365
   13    H    GLU   3           H        GLU   3   2.596  -3.804   5.140
   14    HA   GLU   3           HA       GLU   3   3.848  -6.392   4.599
   15    HB2  GLU   3           2HB      GLU   3   2.197  -6.731   2.864
   16    HB3  GLU   3           1HB      GLU   3   1.361  -6.274   4.339
   17    HG2  GLU   3           2HG      GLU   3   0.943  -4.069   3.507
   18    HG3  GLU   3           1HG      GLU   3   2.012  -4.327   2.133
   19    H    GLY   4           H        GLY   4   4.792  -6.717   2.509
   20    HA2  GLY   4           2HA      GLY   4   5.488  -4.255   1.068
   21    HA3  GLY   4           1HA      GLY   4   6.624  -5.590   1.291
   22    H    THR   5           H        THR   5   3.307  -6.216   0.896
   23    HA   THR   5           HA       THR   5   3.877  -7.700  -1.493
   24    HB   THR   5           HB       THR   5   1.341  -7.504   0.140
   25    HG1  THR   5           1HG      THR   5   3.667  -8.752   0.580
   26   HG21  THR   5          3HG2      THR   5   2.167  -9.446  -2.037
   27   HG22  THR   5          1HG2      THR   5   0.893  -8.237  -2.148
   28   HG23  THR   5          2HG2      THR   5   0.719  -9.602  -1.043
   29    H    PHE   6           H        PHE   6   1.170  -5.498  -0.565
   30    HA   PHE   6           HA       PHE   6   1.109  -4.826  -3.401
   31    HB2  PHE   6           2HB      PHE   6  -0.835  -6.048  -2.296
   32    HB3  PHE   6           1HB      PHE   6  -1.181  -4.520  -1.493
   33    HD1  PHE   6           1HD      PHE   6  -0.780  -6.107  -4.789
   34    HD2  PHE   6           2HD      PHE   6  -2.356  -2.835  -2.606
   35    HE1  PHE   6           1HE      PHE   6  -1.993  -5.392  -6.777
   36    HE2  PHE   6           2HE      PHE   6  -3.589  -2.099  -4.613
   37    HZ   PHE   6           HZ       PHE   6  -3.406  -3.382  -6.698
   38    H    THR   7           H        THR   7   0.720  -2.754  -4.031
   39    HA   THR   7           HA       THR   7   2.101  -0.733  -2.733
   40    HB   THR   7           HB       THR   7   0.067  -0.573  -4.946
   41    HG1  THR   7           1HG      THR   7   2.866  -0.944  -5.170
   42   HG21  THR   7          3HG2      THR   7   1.439   1.322  -5.699
   43   HG22  THR   7          1HG2      THR   7   2.470   1.140  -4.275
   44   HG23  THR   7          2HG2      THR   7   0.775   1.592  -4.084
   45    H    SER   8           H        SER   8  -1.398  -1.283  -3.116
   46    HA   SER   8           HA       SER   8  -2.106   1.115  -1.763
   47    HB2  SER   8           2HB      SER   8  -3.561   0.128  -3.519
   48    HB3  SER   8           1HB      SER   8  -3.858  -1.257  -2.477
   49    HG   SER   8           HG       SER   8  -5.163   1.040  -2.548
   50    H    ASP   9           H        ASP   9  -1.398   1.203   0.207
   51    HA   ASP   9           HA       ASP   9  -2.742  -0.406   2.232
   52    HB2  ASP   9           2HB      ASP   9  -0.379  -1.307   2.106
   53    HB3  ASP   9           1HB      ASP   9   0.163   0.374   2.286
   54    H    CYS  10           H        CYS  10  -3.695   1.042   3.541
   55    HA   CYS  10           HA       CYS  10  -3.411   3.745   2.872
   56    HB2  CYS  10           2HB      CYS  10  -5.471   2.541   3.913
   57    HB3  CYS  10           1HB      CYS  10  -4.697   2.960   5.447
   58    H    SER  11           H        SER  11  -1.841   1.802   5.302
   59    HA   SER  11           HA       SER  11  -0.990   3.995   6.815
   60    HB2  SER  11           2HB      SER  11   0.287   1.274   6.587
   61    HB3  SER  11           1HB      SER  11   0.442   2.398   7.947
   62    HG   SER  11           HG       SER  11  -1.809   2.160   8.263
   63    H    LYS  12           H        LYS  12   0.254   2.245   4.051
   64    HA   LYS  12           HA       LYS  12   2.779   3.538   3.979
   65    HB2  LYS  12           2HB      LYS  12   1.288   2.067   1.848
   66    HB3  LYS  12           1HB      LYS  12   2.914   2.707   1.671
   67    HG2  LYS  12           2HG      LYS  12   3.616   1.356   3.590
   68    HG3  LYS  12           1HG      LYS  12   2.006   0.636   3.620
   69    HD2  LYS  12           2HD      LYS  12   3.486  -0.819   2.474
   70    HD3  LYS  12           1HD      LYS  12   2.348  -0.094   1.322
   71    HE2  LYS  12           2HE      LYS  12   4.949   1.236   1.752
   72    HE3  LYS  12           1HE      LYS  12   4.970  -0.259   0.809
   73    HZ1  LYS  12           3HZ      LYS  12   3.701   2.383   0.128
   74    HZ2  LYS  12           1HZ      LYS  12   3.271   0.920  -0.662
   75    HZ3  LYS  12           2HZ      LYS  12   4.832   1.485  -0.677
   76    H    GLN  13           H        GLN  13  -0.252   3.960   2.261
   77    HA   GLN  13           HA       GLN  13   0.750   6.000   0.646
   78    HB2  GLN  13           2HB      GLN  13  -2.096   5.273   1.276
   79    HB3  GLN  13           1HB      GLN  13  -1.602   6.389   0.001
   80    HG2  GLN  13           2HG      GLN  13  -0.947   3.451   0.202
   81    HG3  GLN  13           1HG      GLN  13  -1.988   4.234  -0.987
   82   HE21  GLN  13          1HE2      GLN  13   0.439   2.603  -1.421
   83   HE22  GLN  13          2HE2      GLN  13   1.521   3.654  -2.272
   84    H    CYS  14           H        CYS  14  -0.752   6.147   3.814
   85    HA   CYS  14           HA       CYS  14  -0.708   9.011   3.742
   86    HB2  CYS  14           2HB      CYS  14  -1.099   7.106   6.071
   87    HB3  CYS  14           1HB      CYS  14  -1.180   8.861   6.215
   88    H    GLU  15           H        GLU  15   1.577   6.538   4.403
   89    HA   GLU  15           HA       GLU  15   3.461   8.119   5.845
   90    HB2  GLU  15           2HB      GLU  15   3.492   5.735   6.081
   91    HB3  GLU  15           1HB      GLU  15   3.531   5.509   4.348
   92    HG2  GLU  15           2HG      GLU  15   5.805   6.401   4.307
   93    HG3  GLU  15           1HG      GLU  15   5.745   6.563   6.066
   94    H    GLU  16           H        GLU  16   2.836   7.297   2.520
   95    HA   GLU  16           HA       GLU  16   5.141   8.729   1.529
   96    HB2  GLU  16           2HB      GLU  16   2.942   7.188   0.136
   97    HB3  GLU  16           1HB      GLU  16   4.339   7.893  -0.683
   98    HG2  GLU  16           2HG      GLU  16   5.852   6.511   0.527
   99    HG3  GLU  16           1HG      GLU  16   4.573   5.948   1.588
  100    H    GLY  17           H        GLY  17   2.018   9.423   2.379
  101    HA2  GLY  17           2HA      GLY  17   0.906  11.410   2.459
  102    HA3  GLY  17           1HA      GLY  17   2.346  12.180   1.808
  103    H    ILE  18           H        ILE  18   0.417   9.653   0.333
  104    HA   ILE  18           HA       ILE  18   0.003  11.496  -1.901
  105    HB   ILE  18           HB       ILE  18  -0.483   8.491  -1.888
  106   HG12  ILE  18          2HG1      ILE  18   1.874  10.044  -2.962
  107   HG13  ILE  18          1HG1      ILE  18   1.903   9.034  -1.519
  108   HG21  ILE  18          1HG2      ILE  18  -1.753   9.677  -3.621
  109   HG22  ILE  18          2HG2      ILE  18  -0.451   8.746  -4.356
  110   HG23  ILE  18          3HG2      ILE  18  -0.284  10.488  -4.160
  111   HD11  ILE  18          3HD1      ILE  18   1.412   7.082  -2.911
  112   HD12  ILE  18          1HD1      ILE  18   2.902   7.893  -3.411
  113   HD13  ILE  18          2HD1      ILE  18   1.411   8.115  -4.338
  114    H    GLY  19           H        GLY  19  -1.985   8.778  -0.828
  115    HA2  GLY  19           2HA      GLY  19  -4.162   8.731  -0.004
  116    HA3  GLY  19           1HA      GLY  19  -4.143  10.481   0.054
  117    H    HIS  20           H        HIS  20  -3.200  10.065  -2.903
  118    HA   HIS  20           HA       HIS  20  -5.765  10.569  -4.088
  119    HB2  HIS  20           2HB      HIS  20  -3.727  11.750  -4.844
  120    HB3  HIS  20           1HB      HIS  20  -3.027  10.203  -5.295
  121    HD1  HIS  20           1HD      HIS  20  -2.991  10.060  -7.788
  122    HD2  HIS  20           2HD      HIS  20  -6.476  11.820  -6.374
  123    HE1  HIS  20           1HE      HIS  20  -4.393  10.551  -9.819
  124    H    LYS  21           H        LYS  21  -7.076   9.072  -4.887
  125    HA   LYS  21           HA       LYS  21  -7.913   7.212  -5.865
  126    HB2  LYS  21           2HB      LYS  21  -5.039   6.341  -6.259
  127    HB3  LYS  21           1HB      LYS  21  -6.426   5.481  -6.889
  128    HG2  LYS  21           2HG      LYS  21  -5.673   8.297  -7.624
  129    HG3  LYS  21           1HG      LYS  21  -5.261   6.886  -8.584
  130    HD2  LYS  21           2HD      LYS  21  -7.711   6.400  -8.759
  131    HD3  LYS  21           1HD      LYS  21  -8.021   7.935  -7.947
  132    HE2  LYS  21           2HE      LYS  21  -8.214   8.237 -10.338
  133    HE3  LYS  21           1HE      LYS  21  -6.796   9.101  -9.748
  134    HZ1  LYS  21           3HZ      LYS  21  -6.789   6.458 -11.125
  135    HZ2  LYS  21           1HZ      LYS  21  -5.423   7.217 -10.505
  136    HZ3  LYS  21           2HZ      LYS  21  -6.269   7.918 -11.771
  137    H    TYR  22           H        TYR  22  -6.866   7.582  -3.060
  138    HA   TYR  22           HA       TYR  22  -7.340   4.829  -2.211
  139    HB2  TYR  22           2HB      TYR  22  -5.525   6.721  -0.684
  140    HB3  TYR  22           1HB      TYR  22  -5.679   4.978  -0.477
  141    HD1  TYR  22           2HD      TYR  22  -5.323   3.908  -3.113
  142    HD2  TYR  22           1HD      TYR  22  -3.373   7.217  -1.345
  143    HE1  TYR  22           2HE      TYR  22  -3.507   3.639  -4.682
  144    HE2  TYR  22           1HE      TYR  22  -1.531   6.994  -2.949
  145    HH   TYR  22           HH       TYR  22  -1.746   5.268  -5.688
  146    HA   PRO  23           HA       PRO  23 -10.604   7.783  -0.877
  147    HB2  PRO  23           2HB      PRO  23 -12.494   5.844  -0.425
  148    HB3  PRO  23           1HB      PRO  23 -12.087   6.515  -2.018
  149    HG2  PRO  23           2HG      PRO  23 -11.090   3.989  -0.777
  150    HG3  PRO  23           1HG      PRO  23 -11.768   4.247  -2.396
  151    HD2  PRO  23           2HD      PRO  23  -9.145   4.132  -2.031
  152    HD3  PRO  23           1HD      PRO  23  -9.828   5.307  -3.167
  153    H    PHE  24           H        PHE  24  -9.304   5.118   0.738
  154    HA   PHE  24           HA       PHE  24 -10.497   5.705   3.282
  155    HB2  PHE  24           2HB      PHE  24  -8.727   3.792   3.877
  156    HB3  PHE  24           1HB      PHE  24 -10.283   3.433   3.134
  157    HD1  PHE  24           1HD      PHE  24  -6.671   3.778   2.508
  158    HD2  PHE  24           2HD      PHE  24 -10.432   2.640   0.912
  159    HE1  PHE  24           1HE      PHE  24  -5.541   2.750   0.576
  160    HE2  PHE  24           2HE      PHE  24  -9.337   1.635  -1.015
  161    HZ   PHE  24           HZ       PHE  24  -6.869   1.670  -1.190
  162    H    CYS  25           H        CYS  25  -7.778   6.827   1.567
  163    HA   CYS  25           HA       CYS  25  -6.361   7.301   4.066
  164    HB2  CYS  25           2HB      CYS  25  -5.307   7.433   1.262
  165    HB3  CYS  25           1HB      CYS  25  -4.378   7.775   2.718
  166    H    HIS  26           H        HIS  26  -7.688   8.913   4.682
  167    HA   HIS  26           HA       HIS  26  -7.008  11.399   3.382
  168    HB2  HIS  26           2HB      HIS  26  -8.897  12.394   4.829
  169    HB3  HIS  26           1HB      HIS  26  -9.367  11.329   3.510
  170    HD1  HIS  26           1HD      HIS  26  -9.784  11.777   7.161
  171    HD2  HIS  26           2HD      HIS  26 -10.147   8.744   4.357
  172    HE1  HIS  26           1HE      HIS  26 -11.208  10.026   8.246
  173    H    CYS  27           H        CYS  27  -5.190  12.030   4.193
  174    HA   CYS  27           HA       CYS  27  -4.795  12.108   7.081
  175    HB2  CYS  27           2HB      CYS  27  -2.810  10.812   5.207
  176    HB3  CYS  27           1HB      CYS  27  -2.595  11.060   6.932
  177    H    ARG  28           H        ARG  28  -3.110  12.533   4.260
  178    HA   ARG  28           HA       ARG  28  -2.575  15.347   4.824
  179    HB2  ARG  28           2HB      ARG  28  -0.101  14.896   4.344
  180    HB3  ARG  28           1HB      ARG  28  -0.718  14.491   5.948
  181    HG2  ARG  28           2HG      ARG  28  -1.028  12.141   5.067
  182    HG3  ARG  28           1HG      ARG  28  -0.105  12.652   3.658
  183    HD2  ARG  28           2HD      ARG  28   0.904  12.939   6.455
  184    HD3  ARG  28           1HD      ARG  28   1.117  11.459   5.521
  185    HE   ARG  28           HE       ARG  28   2.078  13.973   4.404
  186   HH11  ARG  28          1HH1      ARG  28   2.820  10.890   5.980
  187   HH12  ARG  28          2HH1      ARG  28   4.465  10.893   5.576
  188   HH21  ARG  28          1HH2      ARG  28   4.398  13.995   3.845
  189   HH22  ARG  28          2HH2      ARG  28   5.384  12.697   4.329
  190    HN1  NH2  29           1H       ARG  28  -3.675  15.939   3.029
  191    HN2  NH2  29           2H       ARG  28  -3.177  15.590   1.411
  Start of MODEL   16
    1    H1   HIS   1           1HT      HIS   1  13.110  -4.069   7.847
    2    H2   HIS   1           2HT      HIS   1  12.677  -5.671   8.013
    3    H3   HIS   1           3HT      HIS   1  11.633  -4.568   7.265
    4    HA   HIS   1           HA       HIS   1  14.302  -5.347   6.249
    5    HB2  HIS   1           2HB      HIS   1  11.547  -5.971   5.123
    6    HB3  HIS   1           1HB      HIS   1  13.073  -6.355   4.346
    7    HD1  HIS   1           1HD      HIS   1  14.170  -8.593   5.014
    8    HD2  HIS   1           2HD      HIS   1  10.961  -7.510   7.433
    9    HE1  HIS   1           1HE      HIS   1  13.689 -10.575   6.465
   10    H    GLY   2           H        GLY   2  11.199  -3.842   5.233
   11    HA2  GLY   2           2HA      GLY   2  12.270  -1.348   4.738
   12    HA3  GLY   2           1HA      GLY   2  12.282  -2.275   3.235
   13    H    GLU   3           H        GLU   3  10.692  -0.059   3.540
   14    HA   GLU   3           HA       GLU   3   8.072  -0.964   4.274
   15    HB2  GLU   3           2HB      GLU   3   8.884   1.640   2.973
   16    HB3  GLU   3           1HB      GLU   3   7.283   1.264   3.575
   17    HG2  GLU   3           2HG      GLU   3   8.198   2.595   5.246
   18    HG3  GLU   3           1HG      GLU   3   8.431   0.963   5.858
   19    H    GLY   4           H        GLY   4   6.448  -1.468   2.964
   20    HA2  GLY   4           2HA      GLY   4   5.584  -1.274   0.609
   21    HA3  GLY   4           1HA      GLY   4   7.174  -1.871   0.137
   22    H    THR   5           H        THR   5   5.281  -2.910   2.904
   23    HA   THR   5           HA       THR   5   5.607  -5.630   2.546
   24    HB   THR   5           HB       THR   5   3.335  -4.165   3.901
   25    HG1  THR   5           1HG      THR   5   4.621  -3.814   5.496
   26   HG21  THR   5          3HG2      THR   5   3.147  -6.180   5.299
   27   HG22  THR   5          1HG2      THR   5   4.449  -6.943   4.379
   28   HG23  THR   5          2HG2      THR   5   2.917  -6.570   3.595
   29    H    PHE   6           H        PHE   6   2.873  -3.489   1.701
   30    HA   PHE   6           HA       PHE   6   2.078  -5.471  -0.268
   31    HB2  PHE   6           2HB      PHE   6   0.731  -5.326   1.966
   32    HB3  PHE   6           1HB      PHE   6   0.112  -3.824   1.289
   33    HD1  PHE   6           1HD      PHE   6   0.585  -7.384   0.537
   34    HD2  PHE   6           2HD      PHE   6  -1.719  -3.894  -0.122
   35    HE1  PHE   6           1HE      PHE   6  -0.997  -8.704  -0.706
   36    HE2  PHE   6           2HE      PHE   6  -3.356  -5.221  -1.413
   37    HZ   PHE   6           HZ       PHE   6  -3.000  -7.626  -1.711
   38    H    THR   7           H        THR   7   1.494  -4.519  -2.206
   39    HA   THR   7           HA       THR   7   2.430  -1.916  -2.698
   40    HB   THR   7           HB       THR   7   2.417  -3.665  -4.447
   41    HG1  THR   7           1HG      THR   7   0.756  -1.558  -5.341
   42   HG21  THR   7          3HG2      THR   7   0.261  -4.717  -3.955
   43   HG22  THR   7          1HG2      THR   7   0.336  -4.225  -5.648
   44   HG23  THR   7          2HG2      THR   7  -0.581  -3.264  -4.486
   45    H    SER   8           H        SER   8  -0.658  -3.086  -1.730
   46    HA   SER   8           HA       SER   8  -1.892  -0.511  -2.265
   47    HB2  SER   8           2HB      SER   8  -3.163  -3.119  -1.429
   48    HB3  SER   8           1HB      SER   8  -3.961  -1.684  -2.069
   49    HG   SER   8           HG       SER   8  -2.612  -2.010  -3.987
   50    H    ASP   9           H        ASP   9   0.069  -0.983  -0.075
   51    HA   ASP   9           HA       ASP   9  -1.361  -1.022   2.400
   52    HB2  ASP   9           2HB      ASP   9   1.413  -0.284   1.633
   53    HB3  ASP   9           1HB      ASP   9   0.799   0.309   3.162
   54    H    CYS  10           H        CYS  10  -2.964   0.393   2.462
   55    HA   CYS  10           HA       CYS  10  -2.881   2.950   1.305
   56    HB2  CYS  10           2HB      CYS  10  -4.906   1.459   1.809
   57    HB3  CYS  10           1HB      CYS  10  -4.797   2.069   3.455
   58    H    SER  11           H        SER  11  -2.247   1.748   4.544
   59    HA   SER  11           HA       SER  11  -2.050   4.240   5.849
   60    HB2  SER  11           2HB      SER  11  -0.613   1.661   6.494
   61    HB3  SER  11           1HB      SER  11  -0.960   2.986   7.610
   62    HG   SER  11           HG       SER  11  -3.266   2.539   6.896
   63    H    LYS  12           H        LYS  12   0.202   2.346   3.935
   64    HA   LYS  12           HA       LYS  12   2.580   3.788   4.555
   65    HB2  LYS  12           2HB      LYS  12   2.514   1.512   3.570
   66    HB3  LYS  12           1HB      LYS  12   1.834   2.222   2.112
   67    HG2  LYS  12           2HG      LYS  12   3.900   3.460   1.739
   68    HG3  LYS  12           1HG      LYS  12   4.581   2.782   3.222
   69    HD2  LYS  12           2HD      LYS  12   5.413   1.455   1.405
   70    HD3  LYS  12           1HD      LYS  12   4.175   0.532   2.275
   71    HE2  LYS  12           2HE      LYS  12   3.840   0.227  -0.091
   72    HE3  LYS  12           1HE      LYS  12   2.513   1.165   0.563
   73    HZ1  LYS  12           3HZ      LYS  12   4.729   2.113  -1.158
   74    HZ2  LYS  12           1HZ      LYS  12   3.799   3.210  -0.265
   75    HZ3  LYS  12           2HZ      LYS  12   3.063   2.241  -1.356
   76    H    GLN  13           H        GLN  13  -0.028   4.068   2.237
   77    HA   GLN  13           HA       GLN  13   1.168   6.005   0.609
   78    HB2  GLN  13           2HB      GLN  13  -1.781   5.613   1.086
   79    HB3  GLN  13           1HB      GLN  13  -1.017   6.301  -0.345
   80    HG2  GLN  13           2HG      GLN  13  -1.046   3.436   0.575
   81    HG3  GLN  13           1HG      GLN  13  -1.759   4.113  -0.886
   82   HE21  GLN  13          1HE2      GLN  13  -0.399   4.422  -2.703
   83   HE22  GLN  13          2HE2      GLN  13   1.213   3.781  -2.673
   84    H    CYS  14           H        CYS  14  -0.638   6.108   3.589
   85    HA   CYS  14           HA       CYS  14  -0.899   8.940   3.691
   86    HB2  CYS  14           2HB      CYS  14  -0.983   6.859   5.876
   87    HB3  CYS  14           1HB      CYS  14  -1.291   8.571   6.147
   88    H    GLU  15           H        GLU  15   1.506   6.652   4.867
   89    HA   GLU  15           HA       GLU  15   3.053   8.569   6.228
   90    HB2  GLU  15           2HB      GLU  15   3.832   5.893   5.077
   91    HB3  GLU  15           1HB      GLU  15   4.838   6.836   6.166
   92    HG2  GLU  15           2HG      GLU  15   3.017   6.708   7.861
   93    HG3  GLU  15           1HG      GLU  15   2.145   5.635   6.770
   94    H    GLU  16           H        GLU  16   3.051   7.422   2.927
   95    HA   GLU  16           HA       GLU  16   5.298   9.017   2.154
   96    HB2  GLU  16           2HB      GLU  16   3.185   7.621   0.521
   97    HB3  GLU  16           1HB      GLU  16   4.555   8.465  -0.183
   98    HG2  GLU  16           2HG      GLU  16   6.064   6.919   1.037
   99    HG3  GLU  16           1HG      GLU  16   4.643   6.056   1.623
  100    H    GLY  17           H        GLY  17   1.983   9.609   2.625
  101    HA2  GLY  17           2HA      GLY  17   0.929  11.683   2.722
  102    HA3  GLY  17           1HA      GLY  17   2.371  12.395   2.008
  103    H    ILE  18           H        ILE  18   0.531   9.743   0.720
  104    HA   ILE  18           HA       ILE  18   0.221  11.212  -1.769
  105    HB   ILE  18           HB       ILE  18  -0.650   8.365  -1.177
  106   HG12  ILE  18          2HG1      ILE  18   1.982   9.342  -2.313
  107   HG13  ILE  18          1HG1      ILE  18   1.749   8.686  -0.704
  108   HG21  ILE  18          1HG2      ILE  18  -0.487   8.099  -3.626
  109   HG22  ILE  18          2HG2      ILE  18  -0.022   9.790  -3.779
  110   HG23  ILE  18          3HG2      ILE  18  -1.632   9.374  -3.202
  111   HD11  ILE  18          3HD1      ILE  18   1.119   6.537  -1.656
  112   HD12  ILE  18          1HD1      ILE  18   2.715   7.046  -2.204
  113   HD13  ILE  18          2HD1      ILE  18   1.323   7.193  -3.279
  114    H    GLY  19           H        GLY  19  -2.082   8.983  -0.248
  115    HA2  GLY  19           2HA      GLY  19  -4.291   9.264   0.368
  116    HA3  GLY  19           1HA      GLY  19  -3.988  10.993   0.407
  117    H    HIS  20           H        HIS  20  -3.247   9.464  -2.539
  118    HA   HIS  20           HA       HIS  20  -5.599  10.694  -3.772
  119    HB2  HIS  20           2HB      HIS  20  -3.450  11.610  -4.529
  120    HB3  HIS  20           1HB      HIS  20  -2.880   9.989  -4.897
  121    HD1  HIS  20           1HD      HIS  20  -2.929   9.530  -7.339
  122    HD2  HIS  20           2HD      HIS  20  -5.961  12.125  -6.203
  123    HE1  HIS  20           1HE      HIS  20  -4.136  10.147  -9.459
  124    H    LYS  21           H        LYS  21  -7.097   9.350  -4.408
  125    HA   LYS  21           HA       LYS  21  -8.206   7.604  -5.277
  126    HB2  LYS  21           2HB      LYS  21  -5.494   6.447  -5.977
  127    HB3  LYS  21           1HB      LYS  21  -7.030   5.731  -6.443
  128    HG2  LYS  21           2HG      LYS  21  -6.009   8.437  -7.266
  129    HG3  LYS  21           1HG      LYS  21  -6.049   7.005  -8.291
  130    HD2  LYS  21           2HD      LYS  21  -8.515   6.952  -8.048
  131    HD3  LYS  21           1HD      LYS  21  -8.434   8.432  -7.094
  132    HE2  LYS  21           2HE      LYS  21  -7.397   9.565  -9.035
  133    HE3  LYS  21           1HE      LYS  21  -7.634   8.091  -9.974
  134    HZ1  LYS  21           3HZ      LYS  21 -10.039   8.297  -9.576
  135    HZ2  LYS  21           1HZ      LYS  21  -9.439   9.649 -10.358
  136    HZ3  LYS  21           2HZ      LYS  21  -9.791   9.706  -8.719
  137    H    TYR  22           H        TYR  22  -7.242   7.897  -2.615
  138    HA   TYR  22           HA       TYR  22  -7.784   5.161  -1.714
  139    HB2  TYR  22           2HB      TYR  22  -5.947   7.059  -0.203
  140    HB3  TYR  22           1HB      TYR  22  -6.194   5.342   0.094
  141    HD1  TYR  22           1HD      TYR  22  -5.871   4.161  -2.535
  142    HD2  TYR  22           2HD      TYR  22  -3.661   7.341  -0.764
  143    HE1  TYR  22           1HE      TYR  22  -4.034   3.678  -3.996
  144    HE2  TYR  22           2HE      TYR  22  -1.805   6.862  -2.255
  145    HH   TYR  22           HH       TYR  22  -2.027   4.880  -4.918
  146    HA   PRO  23           HA       PRO  23 -10.921   8.332  -0.458
  147    HB2  PRO  23           2HB      PRO  23 -12.973   6.493  -0.183
  148    HB3  PRO  23           1HB      PRO  23 -12.545   7.314  -1.690
  149    HG2  PRO  23           2HG      PRO  23 -11.793   4.579  -0.771
  150    HG3  PRO  23           1HG      PRO  23 -12.319   5.120  -2.374
  151    HD2  PRO  23           2HD      PRO  23  -9.740   4.666  -1.823
  152    HD3  PRO  23           1HD      PRO  23 -10.227   5.988  -2.899
  153    H    PHE  24           H        PHE  24 -10.307   5.235   0.992
  154    HA   PHE  24           HA       PHE  24 -11.366   6.019   3.533
  155    HB2  PHE  24           2HB      PHE  24 -10.320   3.648   4.121
  156    HB3  PHE  24           1HB      PHE  24 -11.844   3.808   3.257
  157    HD1  PHE  24           2HD      PHE  24  -8.254   3.028   2.888
  158    HD2  PHE  24           1HD      PHE  24 -12.060   3.153   1.000
  159    HE1  PHE  24           2HE      PHE  24  -7.363   1.743   1.006
  160    HE2  PHE  24           1HE      PHE  24 -11.185   1.887  -0.890
  161    HZ   PHE  24           HZ       PHE  24  -8.817   1.160  -0.897
  162    H    CYS  25           H        CYS  25  -8.596   6.857   2.092
  163    HA   CYS  25           HA       CYS  25  -7.315   7.202   4.682
  164    HB2  CYS  25           2HB      CYS  25  -5.818   6.435   2.176
  165    HB3  CYS  25           1HB      CYS  25  -5.106   6.814   3.735
  166    H    HIS  26           H        HIS  26  -8.068   9.304   4.668
  167    HA   HIS  26           HA       HIS  26  -7.013  10.897   2.518
  168    HB2  HIS  26           2HB      HIS  26  -8.405  12.795   3.424
  169    HB3  HIS  26           1HB      HIS  26  -9.329  11.402   2.885
  170    HD1  HIS  26           1HD      HIS  26  -8.896  13.640   5.739
  171    HD2  HIS  26           2HD      HIS  26 -10.272   9.811   5.033
  172    HE1  HIS  26           1HE      HIS  26 -10.289  13.073   7.734
  173    H    CYS  27           H        CYS  27  -5.020  11.331   2.837
  174    HA   CYS  27           HA       CYS  27  -4.203  12.258   5.460
  175    HB2  CYS  27           2HB      CYS  27  -2.728  10.206   3.797
  176    HB3  CYS  27           1HB      CYS  27  -2.193  10.852   5.345
  177    H    ARG  28           H        ARG  28  -3.165  14.028   5.322
  178    HA   ARG  28           HA       ARG  28  -2.551  15.188   2.766
  179    HB2  ARG  28           2HB      ARG  28  -2.110  17.249   4.131
  180    HB3  ARG  28           1HB      ARG  28  -3.734  16.599   4.278
  181    HG2  ARG  28           2HG      ARG  28  -2.986  15.501   6.410
  182    HG3  ARG  28           1HG      ARG  28  -1.489  16.426   6.278
  183    HD2  ARG  28           2HD      ARG  28  -3.025  17.549   7.743
  184    HD3  ARG  28           1HD      ARG  28  -2.851  18.498   6.268
  185    HE   ARG  28           HE       ARG  28  -5.000  16.782   5.933
  186   HH11  ARG  28          1HH1      ARG  28  -4.156  19.507   7.998
  187   HH12  ARG  28          2HH1      ARG  28  -5.756  20.054   8.208
  188   HH21  ARG  28          1HH2      ARG  28  -7.230  17.515   6.219
  189   HH22  ARG  28          2HH2      ARG  28  -7.538  18.894   7.161
  190    HN1  NH2  29           1H       ARG  28  -0.755  14.417   1.914
  191    HN2  NH2  29           2H       ARG  28   0.791  14.386   2.688
  Start of MODEL   17
    1    H1   HIS   1           1HT      HIS   1  11.869  -4.842   3.859
    2    H2   HIS   1           2HT      HIS   1  13.482  -4.709   3.421
    3    H3   HIS   1           3HT      HIS   1  13.084  -5.396   4.930
    4    HA   HIS   1           HA       HIS   1  13.728  -7.064   3.343
    5    HB2  HIS   1           2HB      HIS   1  10.741  -7.029   3.902
    6    HB3  HIS   1           1HB      HIS   1  11.626  -8.422   3.316
    7    HD1  HIS   1           1HD      HIS   1  10.704  -6.658   6.433
    8    HD2  HIS   1           2HD      HIS   1  13.472  -9.512   5.193
    9    HE1  HIS   1           1HE      HIS   1  11.563  -7.733   8.505
   10    H    GLY   2           H        GLY   2  12.802  -8.311   1.371
   11    HA2  GLY   2           2HA      GLY   2  12.677  -6.380  -0.751
   12    HA3  GLY   2           1HA      GLY   2  12.758  -8.126  -0.927
   13    H    GLU   3           H        GLU   3  10.601  -5.544   0.084
   14    HA   GLU   3           HA       GLU   3   8.438  -7.058  -1.137
   15    HB2  GLU   3           2HB      GLU   3   8.130  -7.050   1.282
   16    HB3  GLU   3           1HB      GLU   3   8.247  -5.300   1.310
   17    HG2  GLU   3           2HG      GLU   3   5.917  -6.149   1.488
   18    HG3  GLU   3           1HG      GLU   3   6.182  -5.062   0.129
   19    H    GLY   4           H        GLY   4   8.622  -6.180  -3.000
   20    HA2  GLY   4           2HA      GLY   4   7.646  -3.427  -3.239
   21    HA3  GLY   4           1HA      GLY   4   8.928  -4.050  -4.287
   22    H    THR   5           H        THR   5   6.473  -6.166  -3.168
   23    HA   THR   5           HA       THR   5   5.530  -6.591  -5.876
   24    HB   THR   5           HB       THR   5   5.060  -8.000  -3.244
   25    HG1  THR   5           1HG      THR   5   7.127  -8.062  -4.655
   26   HG21  THR   5          3HG2      THR   5   3.091  -8.280  -4.693
   27   HG22  THR   5          1HG2      THR   5   3.970  -9.801  -4.565
   28   HG23  THR   5          2HG2      THR   5   4.118  -8.816  -6.023
   29    H    PHE   6           H        PHE   6   4.430  -5.815  -2.625
   30    HA   PHE   6           HA       PHE   6   1.999  -4.666  -3.786
   31    HB2  PHE   6           2HB      PHE   6   1.851  -6.772  -2.280
   32    HB3  PHE   6           1HB      PHE   6   2.255  -5.674  -0.965
   33    HD1  PHE   6           1HD      PHE   6   0.752  -3.740  -0.509
   34    HD2  PHE   6           2HD      PHE   6  -0.261  -6.861  -3.169
   35    HE1  PHE   6           1HE      PHE   6  -1.539  -3.036  -0.395
   36    HE2  PHE   6           2HE      PHE   6  -2.579  -6.231  -3.088
   37    HZ   PHE   6           HZ       PHE   6  -3.291  -4.286  -1.678
   38    H    THR   7           H        THR   7   1.413  -2.633  -2.911
   39    HA   THR   7           HA       THR   7   3.150  -1.481  -0.899
   40    HB   THR   7           HB       THR   7   2.795  -0.208  -3.624
   41    HG1  THR   7           1HG      THR   7   4.573  -1.960  -2.588
   42   HG21  THR   7          3HG2      THR   7   2.898   1.333  -1.777
   43   HG22  THR   7          1HG2      THR   7   4.366   1.465  -2.773
   44   HG23  THR   7          2HG2      THR   7   4.393   0.589  -1.216
   45    H    SER   8           H        SER   8   0.068  -1.521  -2.604
   46    HA   SER   8           HA       SER   8  -0.849   0.963  -1.652
   47    HB2  SER   8           2HB      SER   8  -2.415  -1.369  -2.759
   48    HB3  SER   8           1HB      SER   8  -3.028   0.268  -2.534
   49    HG   SER   8           HG       SER   8  -2.381  -0.035  -4.648
   50    H    ASP   9           H        ASP   9  -0.261   0.659   0.545
   51    HA   ASP   9           HA       ASP   9  -2.418  -0.575   2.147
   52    HB2  ASP   9           2HB      ASP   9  -0.103  -1.342   2.774
   53    HB3  ASP   9           1HB      ASP   9   0.309   0.365   2.985
   54    H    CYS  10           H        CYS  10  -3.652   0.850   3.317
   55    HA   CYS  10           HA       CYS  10  -3.712   3.480   2.453
   56    HB2  CYS  10           2HB      CYS  10  -5.611   2.215   3.521
   57    HB3  CYS  10           1HB      CYS  10  -4.857   2.545   5.084
   58    H    SER  11           H        SER  11  -2.256   2.122   5.412
   59    HA   SER  11           HA       SER  11  -1.612   4.598   6.545
   60    HB2  SER  11           2HB      SER  11  -0.205   1.974   6.985
   61    HB3  SER  11           1HB      SER  11  -0.372   3.319   8.119
   62    HG   SER  11           HG       SER  11  -2.665   2.937   8.020
   63    H    LYS  12           H        LYS  12  -0.057   2.473   4.307
   64    HA   LYS  12           HA       LYS  12   2.535   3.698   4.424
   65    HB2  LYS  12           2HB      LYS  12   2.065   1.363   3.810
   66    HB3  LYS  12           1HB      LYS  12   1.376   1.964   2.303
   67    HG2  LYS  12           2HG      LYS  12   3.461   2.876   1.613
   68    HG3  LYS  12           1HG      LYS  12   4.196   2.506   3.175
   69    HD2  LYS  12           2HD      LYS  12   3.069   0.504   1.271
   70    HD3  LYS  12           1HD      LYS  12   4.797   0.907   1.421
   71    HE2  LYS  12           2HE      LYS  12   4.732   0.161   3.773
   72    HE3  LYS  12           1HE      LYS  12   3.032  -0.254   3.598
   73    HZ1  LYS  12           3HZ      LYS  12   5.280  -1.499   2.144
   74    HZ2  LYS  12           1HZ      LYS  12   3.647  -1.890   1.940
   75    HZ3  LYS  12           2HZ      LYS  12   4.406  -2.170   3.417
   76    H    GLN  13           H        GLN  13  -0.313   3.959   2.296
   77    HA   GLN  13           HA       GLN  13   1.026   5.638   0.475
   78    HB2  GLN  13           2HB      GLN  13  -1.921   5.200   0.949
   79    HB3  GLN  13           1HB      GLN  13  -1.241   6.060  -0.426
   80    HG2  GLN  13           2HG      GLN  13  -0.809   3.145   0.235
   81    HG3  GLN  13           1HG      GLN  13  -1.841   3.785  -1.041
   82   HE21  GLN  13          1HE2      GLN  13   1.426   3.148  -0.055
   83   HE22  GLN  13          2HE2      GLN  13   2.161   3.465  -1.573
   84    H    CYS  14           H        CYS  14  -0.850   6.155   3.390
   85    HA   CYS  14           HA       CYS  14  -0.910   8.964   3.180
   86    HB2  CYS  14           2HB      CYS  14  -1.066   7.147   5.589
   87    HB3  CYS  14           1HB      CYS  14  -1.262   8.892   5.678
   88    H    GLU  15           H        GLU  15   1.489   6.684   4.485
   89    HA   GLU  15           HA       GLU  15   3.116   8.694   5.607
   90    HB2  GLU  15           2HB      GLU  15   3.046   6.348   6.365
   91    HB3  GLU  15           1HB      GLU  15   3.765   5.849   4.846
   92    HG2  GLU  15           2HG      GLU  15   5.340   5.927   6.687
   93    HG3  GLU  15           1HG      GLU  15   5.789   7.005   5.362
   94    H    GLU  16           H        GLU  16   3.020   7.090   2.483
   95    HA   GLU  16           HA       GLU  16   5.395   8.331   1.501
   96    HB2  GLU  16           2HB      GLU  16   3.052   7.105   0.030
   97    HB3  GLU  16           1HB      GLU  16   4.535   7.639  -0.747
   98    HG2  GLU  16           2HG      GLU  16   4.382   5.502   1.370
   99    HG3  GLU  16           1HG      GLU  16   4.427   5.192  -0.361
  100    H    GLY  17           H        GLY  17   2.172   9.354   1.966
  101    HA2  GLY  17           2HA      GLY  17   1.412  11.535   1.964
  102    HA3  GLY  17           1HA      GLY  17   2.884  12.031   1.135
  103    H    ILE  18           H        ILE  18   0.580   9.552   0.263
  104    HA   ILE  18           HA       ILE  18   0.207  10.949  -2.278
  105    HB   ILE  18           HB       ILE  18  -0.516   8.064  -1.638
  106   HG12  ILE  18          2HG1      ILE  18   1.940   9.152  -3.030
  107   HG13  ILE  18          1HG1      ILE  18   1.908   8.469  -1.407
  108   HG21  ILE  18          1HG2      ILE  18  -1.731   9.057  -3.539
  109   HG22  ILE  18          2HG2      ILE  18  -0.584   7.839  -4.098
  110   HG23  ILE  18          3HG2      ILE  18  -0.200   9.552  -4.256
  111   HD11  ILE  18          3HD1      ILE  18   1.301   7.023  -3.965
  112   HD12  ILE  18          1HD1      ILE  18   1.257   6.318  -2.349
  113   HD13  ILE  18          2HD1      ILE  18   2.785   6.899  -3.018
  114    H    GLY  19           H        GLY  19  -1.955   8.644  -0.707
  115    HA2  GLY  19           2HA      GLY  19  -4.117   8.886   0.049
  116    HA3  GLY  19           1HA      GLY  19  -3.774  10.604   0.206
  117    H    HIS  20           H        HIS  20  -3.403   8.939  -2.819
  118    HA   HIS  20           HA       HIS  20  -5.717  10.399  -3.875
  119    HB2  HIS  20           2HB      HIS  20  -3.490  11.360  -4.533
  120    HB3  HIS  20           1HB      HIS  20  -3.106   9.794  -5.242
  121    HD1  HIS  20           1HD      HIS  20  -3.512   9.762  -7.757
  122    HD2  HIS  20           2HD      HIS  20  -6.070  12.361  -5.760
  123    HE1  HIS  20           1HE      HIS  20  -4.901  10.876  -9.531
  124    H    LYS  21           H        LYS  21  -7.095   9.130  -4.908
  125    HA   LYS  21           HA       LYS  21  -8.111   7.326  -5.869
  126    HB2  LYS  21           2HB      LYS  21  -5.344   6.139  -6.188
  127    HB3  LYS  21           1HB      LYS  21  -6.835   5.482  -6.843
  128    HG2  LYS  21           2HG      LYS  21  -7.069   7.528  -8.241
  129    HG3  LYS  21           1HG      LYS  21  -5.526   8.084  -7.608
  130    HD2  LYS  21           2HD      LYS  21  -5.237   7.004  -9.803
  131    HD3  LYS  21           1HD      LYS  21  -4.394   6.122  -8.530
  132    HE2  LYS  21           2HE      LYS  21  -6.243   4.514  -8.413
  133    HE3  LYS  21           1HE      LYS  21  -7.104   5.412  -9.663
  134    HZ1  LYS  21           3HZ      LYS  21  -4.496   4.055  -9.949
  135    HZ2  LYS  21           1HZ      LYS  21  -5.299   4.855 -11.190
  136    HZ3  LYS  21           2HZ      LYS  21  -5.962   3.454 -10.497
  137    H    TYR  22           H        TYR  22  -7.197   7.630  -3.052
  138    HA   TYR  22           HA       TYR  22  -7.777   4.886  -2.242
  139    HB2  TYR  22           2HB      TYR  22  -5.941   6.769  -0.712
  140    HB3  TYR  22           1HB      TYR  22  -6.208   5.056  -0.388
  141    HD1  TYR  22           1HD      TYR  22  -5.900   3.851  -3.011
  142    HD2  TYR  22           2HD      TYR  22  -3.634   7.016  -1.263
  143    HE1  TYR  22           1HE      TYR  22  -4.049   3.328  -4.482
  144    HE2  TYR  22           2HE      TYR  22  -1.787   6.512  -2.761
  145    HH   TYR  22           HH       TYR  22  -0.953   4.554  -3.957
  146    HA   PRO  23           HA       PRO  23 -11.054   7.850  -0.978
  147    HB2  PRO  23           2HB      PRO  23 -13.037   5.991  -0.777
  148    HB3  PRO  23           1HB      PRO  23 -12.475   6.677  -2.310
  149    HG2  PRO  23           2HG      PRO  23 -11.698   4.083  -1.048
  150    HG3  PRO  23           1HG      PRO  23 -12.207   4.405  -2.717
  151    HD2  PRO  23           2HD      PRO  23  -9.643   4.150  -2.071
  152    HD3  PRO  23           1HD      PRO  23 -10.162   5.333  -3.290
  153    H    PHE  24           H        PHE  24  -9.579   5.446   0.735
  154    HA   PHE  24           HA       PHE  24 -11.044   6.118   3.165
  155    HB2  PHE  24           2HB      PHE  24  -9.993   3.869   3.991
  156    HB3  PHE  24           1HB      PHE  24 -11.427   3.844   2.969
  157    HD1  PHE  24           2HD      PHE  24  -7.820   3.174   3.123
  158    HD2  PHE  24           1HD      PHE  24 -11.322   3.071   0.729
  159    HE1  PHE  24           2HE      PHE  24  -6.654   1.765   1.481
  160    HE2  PHE  24           1HE      PHE  24 -10.202   1.706  -0.913
  161    HZ   PHE  24           HZ       PHE  24  -7.834   1.017  -0.555
  162    H    CYS  25           H        CYS  25  -8.423   7.099   1.669
  163    HA   CYS  25           HA       CYS  25  -6.827   7.095   4.120
  164    HB2  CYS  25           2HB      CYS  25  -5.811   7.329   1.293
  165    HB3  CYS  25           1HB      CYS  25  -4.834   7.323   2.755
  166    H    HIS  26           H        HIS  26  -7.801   8.930   4.906
  167    HA   HIS  26           HA       HIS  26  -7.199  11.361   3.396
  168    HB2  HIS  26           2HB      HIS  26  -9.189  10.920   5.652
  169    HB3  HIS  26           1HB      HIS  26  -8.839  12.483   4.920
  170    HD1  HIS  26           1HD      HIS  26 -10.748   9.340   4.361
  171    HD2  HIS  26           2HD      HIS  26  -9.812  12.823   2.314
  172    HE1  HIS  26           1HE      HIS  26 -12.274   9.388   2.335
  173    H    CYS  27           H        CYS  27  -5.225  11.881   3.944
  174    HA   CYS  27           HA       CYS  27  -4.515  12.092   6.763
  175    HB2  CYS  27           2HB      CYS  27  -2.813  10.670   4.691
  176    HB3  CYS  27           1HB      CYS  27  -2.453  10.866   6.397
  177    H    ARG  28           H        ARG  28  -1.966  12.936   6.547
  178    HA   ARG  28           HA       ARG  28  -0.747  14.719   6.292
  179    HB2  ARG  28           2HB      ARG  28  -1.401  14.268   3.375
  180    HB3  ARG  28           1HB      ARG  28  -0.096  15.258   4.032
  181    HG2  ARG  28           2HG      ARG  28  -0.349  12.336   4.638
  182    HG3  ARG  28           1HG      ARG  28   0.557  12.951   3.258
  183    HD2  ARG  28           2HD      ARG  28   2.158  13.975   4.613
  184    HD3  ARG  28           1HD      ARG  28   1.116  13.961   6.037
  185    HE   ARG  28           HE       ARG  28   1.327  11.436   5.718
  186   HH11  ARG  28          1HH1      ARG  28   4.040  13.643   5.148
  187   HH12  ARG  28          2HH1      ARG  28   5.215  12.591   5.761
  188   HH21  ARG  28          1HH2      ARG  28   2.897  10.046   6.606
  189   HH22  ARG  28          2HH2      ARG  28   4.549  10.407   6.574
  190    HN1  NH2  29           1H       ARG  28  -2.634  15.789   3.563
  191    HN2  NH2  29           2H       ARG  28  -3.198  17.239   4.314
  Start of MODEL   18
    1    H1   HIS   1           1HT      HIS   1   2.136 -16.082  -3.221
    2    H2   HIS   1           2HT      HIS   1   3.462 -15.124  -3.672
    3    H3   HIS   1           3HT      HIS   1   2.792 -16.177  -4.770
    4    HA   HIS   1           HA       HIS   1   0.787 -14.902  -4.905
    5    HB2  HIS   1           2HB      HIS   1   0.904 -14.100  -2.503
    6    HB3  HIS   1           1HB      HIS   1   2.192 -13.004  -2.987
    7    HD1  HIS   1           1HD      HIS   1   1.449 -10.789  -4.222
    8    HD2  HIS   1           2HD      HIS   1  -1.649 -13.434  -3.355
    9    HE1  HIS   1           1HE      HIS   1  -0.691  -9.555  -4.686
   10    H    GLY   2           H        GLY   2   0.700 -13.196  -6.478
   11    HA2  GLY   2           2HA      GLY   2   3.165 -12.817  -7.871
   12    HA3  GLY   2           1HA      GLY   2   1.592 -12.161  -8.321
   13    H    GLU   3           H        GLU   3   4.503 -11.686  -6.615
   14    HA   GLU   3           HA       GLU   3   5.630  -9.873  -5.939
   15    HB2  GLU   3           2HB      GLU   3   3.253  -8.282  -6.865
   16    HB3  GLU   3           1HB      GLU   3   4.679  -7.569  -6.144
   17    HG2  GLU   3           2HG      GLU   3   6.002  -8.464  -8.023
   18    HG3  GLU   3           1HG      GLU   3   4.497  -9.055  -8.740
   19    H    GLY   4           H        GLY   4   5.730  -8.351  -4.262
   20    HA2  GLY   4           2HA      GLY   4   3.544  -8.377  -2.336
   21    HA3  GLY   4           1HA      GLY   4   5.193  -8.764  -1.819
   22    H    THR   5           H        THR   5   4.589  -6.592  -4.407
   23    HA   THR   5           HA       THR   5   6.183  -4.550  -3.265
   24    HB   THR   5           HB       THR   5   4.371  -4.506  -5.689
   25    HG1  THR   5           1HG      THR   5   5.905  -5.416  -6.760
   26   HG21  THR   5          3HG2      THR   5   5.776  -2.593  -6.434
   27   HG22  THR   5          1HG2      THR   5   6.613  -2.631  -4.882
   28   HG23  THR   5          2HG2      THR   5   4.893  -2.238  -4.957
   29    H    PHE   6           H        PHE   6   2.753  -4.892  -4.001
   30    HA   PHE   6           HA       PHE   6   2.172  -2.493  -2.423
   31    HB2  PHE   6           2HB      PHE   6   2.457  -1.982  -4.798
   32    HB3  PHE   6           1HB      PHE   6   1.269  -3.204  -5.196
   33    HD1  PHE   6           2HD      PHE   6   1.845   0.094  -3.819
   34    HD2  PHE   6           1HD      PHE   6  -1.071  -2.782  -4.910
   35    HE1  PHE   6           2HE      PHE   6   0.169   1.815  -3.759
   36    HE2  PHE   6           1HE      PHE   6  -2.795  -1.076  -4.867
   37    HZ   PHE   6           HZ       PHE   6  -2.204   1.268  -4.290
   38    H    THR   7           H        THR   7   0.220  -2.660  -1.358
   39    HA   THR   7           HA       THR   7  -1.660  -4.708  -2.194
   40    HB   THR   7           HB       THR   7  -0.905  -4.381   0.746
   41    HG1  THR   7           1HG      THR   7   0.320  -5.704  -1.278
   42   HG21  THR   7          3HG2      THR   7  -2.233  -6.397   1.004
   43   HG22  THR   7          1HG2      THR   7  -2.387  -6.482  -0.780
   44   HG23  THR   7          2HG2      THR   7  -3.105  -5.134   0.075
   45    H    SER   8           H        SER   8  -1.225  -1.735  -2.078
   46    HA   SER   8           HA       SER   8  -2.346   0.217  -1.853
   47    HB2  SER   8           2HB      SER   8  -4.130  -1.023  -3.060
   48    HB3  SER   8           1HB      SER   8  -4.773  -1.590  -1.520
   49    HG   SER   8           HG       SER   8  -5.028   0.636  -0.978
   50    H    ASP   9           H        ASP   9  -1.042  -0.733   0.279
   51    HA   ASP   9           HA       ASP   9  -2.528  -0.778   2.703
   52    HB2  ASP   9           2HB      ASP   9  -0.162  -1.700   2.431
   53    HB3  ASP   9           1HB      ASP   9   0.331   0.005   2.417
   54    H    CYS  10           H        CYS  10  -3.442   0.850   3.656
   55    HA   CYS  10           HA       CYS  10  -3.208   3.449   2.616
   56    HB2  CYS  10           2HB      CYS  10  -5.246   2.437   3.700
   57    HB3  CYS  10           1HB      CYS  10  -4.448   2.699   5.250
   58    H    SER  11           H        SER  11  -1.698   1.778   5.318
   59    HA   SER  11           HA       SER  11  -0.786   4.083   6.562
   60    HB2  SER  11           2HB      SER  11   0.327   1.277   6.684
   61    HB3  SER  11           1HB      SER  11   0.794   2.587   7.769
   62    HG   SER  11           HG       SER  11  -1.382   0.994   7.749
   63    H    LYS  12           H        LYS  12   0.406   2.263   3.875
   64    HA   LYS  12           HA       LYS  12   2.889   3.672   3.848
   65    HB2  LYS  12           2HB      LYS  12   1.639   1.927   1.751
   66    HB3  LYS  12           1HB      LYS  12   3.256   2.620   1.659
   67    HG2  LYS  12           2HG      LYS  12   3.780   1.487   3.807
   68    HG3  LYS  12           1HG      LYS  12   2.225   0.670   3.684
   69    HD2  LYS  12           2HD      LYS  12   3.883  -0.801   2.867
   70    HD3  LYS  12           1HD      LYS  12   2.942  -0.182   1.492
   71    HE2  LYS  12           2HE      LYS  12   4.691   1.325   0.873
   72    HE3  LYS  12           1HE      LYS  12   5.586   0.988   2.351
   73    HZ1  LYS  12           3HZ      LYS  12   6.542  -0.139   0.458
   74    HZ2  LYS  12           1HZ      LYS  12   5.102  -0.956   0.148
   75    HZ3  LYS  12           2HZ      LYS  12   5.959  -1.256   1.560
   76    H    GLN  13           H        GLN  13  -0.275   4.037   2.266
   77    HA   GLN  13           HA       GLN  13   0.682   5.936   0.419
   78    HB2  GLN  13           2HB      GLN  13  -2.159   5.564   1.352
   79    HB3  GLN  13           1HB      GLN  13  -1.625   6.318  -0.146
   80    HG2  GLN  13           2HG      GLN  13  -1.467   3.413   0.615
   81    HG3  GLN  13           1HG      GLN  13  -2.397   4.144  -0.688
   82   HE21  GLN  13          1HE2      GLN  13  -0.367   2.033  -0.628
   83   HE22  GLN  13          2HE2      GLN  13   0.846   2.471  -1.763
   84    H    CYS  14           H        CYS  14  -0.723   6.173   3.643
   85    HA   CYS  14           HA       CYS  14  -0.543   9.031   3.522
   86    HB2  CYS  14           2HB      CYS  14  -1.296   7.171   5.767
   87    HB3  CYS  14           1HB      CYS  14  -1.074   8.896   6.038
   88    H    GLU  15           H        GLU  15   1.618   6.502   4.308
   89    HA   GLU  15           HA       GLU  15   3.500   7.983   5.843
   90    HB2  GLU  15           2HB      GLU  15   3.446   5.505   5.551
   91    HB3  GLU  15           1HB      GLU  15   3.905   5.726   3.876
   92    HG2  GLU  15           2HG      GLU  15   5.985   6.829   4.718
   93    HG3  GLU  15           1HG      GLU  15   5.522   6.264   6.328
   94    H    GLU  16           H        GLU  16   2.876   7.465   2.445
   95    HA   GLU  16           HA       GLU  16   5.049   9.071   1.468
   96    HB2  GLU  16           2HB      GLU  16   2.586   7.977   0.116
   97    HB3  GLU  16           1HB      GLU  16   3.905   8.781  -0.720
   98    HG2  GLU  16           2HG      GLU  16   4.149   6.246   0.869
   99    HG3  GLU  16           1HG      GLU  16   3.982   6.328  -0.882
  100    H    GLY  17           H        GLY  17   1.804   9.508   2.417
  101    HA2  GLY  17           2HA      GLY  17   0.677  11.474   2.913
  102    HA3  GLY  17           1HA      GLY  17   2.028  12.376   2.230
  103    H    ILE  18           H        ILE  18   0.306   9.847   0.575
  104    HA   ILE  18           HA       ILE  18  -0.291  11.771  -1.511
  105    HB   ILE  18           HB       ILE  18  -0.759   8.766  -1.568
  106   HG12  ILE  18          2HG1      ILE  18   1.560  10.353  -2.693
  107   HG13  ILE  18          1HG1      ILE  18   1.634   9.369  -1.238
  108   HG21  ILE  18          1HG2      ILE  18  -0.826   9.086  -4.014
  109   HG22  ILE  18          2HG2      ILE  18  -0.611  10.822  -3.789
  110   HG23  ILE  18          3HG2      ILE  18  -2.077  10.033  -3.204
  111   HD11  ILE  18          3HD1      ILE  18   1.085   8.371  -4.027
  112   HD12  ILE  18          1HD1      ILE  18   1.159   7.374  -2.574
  113   HD13  ILE  18          2HD1      ILE  18   2.602   8.215  -3.141
  114    H    GLY  19           H        GLY  19  -2.295   9.013  -0.458
  115    HA2  GLY  19           2HA      GLY  19  -4.533   8.930   0.150
  116    HA3  GLY  19           1HA      GLY  19  -4.406  10.638   0.551
  117    H    HIS  20           H        HIS  20  -3.651   9.341  -2.576
  118    HA   HIS  20           HA       HIS  20  -6.019  10.626  -3.720
  119    HB2  HIS  20           2HB      HIS  20  -3.862  11.977  -3.902
  120    HB3  HIS  20           1HB      HIS  20  -3.216  10.637  -4.834
  121    HD1  HIS  20           1HD      HIS  20  -2.907  12.479  -6.760
  122    HD2  HIS  20           2HD      HIS  20  -6.827  11.553  -5.750
  123    HE1  HIS  20           1HE      HIS  20  -4.334  13.443  -8.588
  124    H    LYS  21           H        LYS  21  -7.102   9.164  -4.880
  125    HA   LYS  21           HA       LYS  21  -7.703   7.317  -6.005
  126    HB2  LYS  21           2HB      LYS  21  -4.740   6.749  -6.276
  127    HB3  LYS  21           1HB      LYS  21  -5.986   5.714  -6.945
  128    HG2  LYS  21           2HG      LYS  21  -5.560   8.606  -7.686
  129    HG3  LYS  21           1HG      LYS  21  -4.945   7.232  -8.602
  130    HD2  LYS  21           2HD      LYS  21  -7.857   7.822  -8.050
  131    HD3  LYS  21           1HD      LYS  21  -7.018   8.171  -9.557
  132    HE2  LYS  21           2HE      LYS  21  -7.439   5.423  -8.359
  133    HE3  LYS  21           1HE      LYS  21  -8.334   6.111  -9.703
  134    HZ1  LYS  21           3HZ      LYS  21  -6.637   4.625 -10.471
  135    HZ2  LYS  21           1HZ      LYS  21  -5.423   5.502  -9.697
  136    HZ3  LYS  21           2HZ      LYS  21  -6.286   6.184 -10.991
  137    H    TYR  22           H        TYR  22  -6.860   7.654  -3.148
  138    HA   TYR  22           HA       TYR  22  -7.289   4.854  -2.432
  139    HB2  TYR  22           2HB      TYR  22  -5.600   6.721  -0.738
  140    HB3  TYR  22           1HB      TYR  22  -5.728   4.969  -0.607
  141    HD1  TYR  22           2HD      TYR  22  -5.177   3.945  -3.183
  142    HD2  TYR  22           1HD      TYR  22  -3.486   7.345  -1.325
  143    HE1  TYR  22           2HE      TYR  22  -3.273   3.757  -4.657
  144    HE2  TYR  22           1HE      TYR  22  -1.563   7.233  -2.830
  145    HH   TYR  22           HH       TYR  22  -0.388   5.514  -4.153
  146    HA   PRO  23           HA       PRO  23 -10.649   7.668  -1.134
  147    HB2  PRO  23           2HB      PRO  23 -12.540   5.691  -0.900
  148    HB3  PRO  23           1HB      PRO  23 -12.072   6.435  -2.434
  149    HG2  PRO  23           2HG      PRO  23 -11.161   3.857  -1.261
  150    HG3  PRO  23           1HG      PRO  23 -11.674   4.225  -2.917
  151    HD2  PRO  23           2HD      PRO  23  -9.086   4.046  -2.244
  152    HD3  PRO  23           1HD      PRO  23  -9.637   5.210  -3.458
  153    H    PHE  24           H        PHE  24  -9.370   4.960   0.468
  154    HA   PHE  24           HA       PHE  24 -10.783   5.482   2.953
  155    HB2  PHE  24           2HB      PHE  24  -9.401   3.342   3.600
  156    HB3  PHE  24           1HB      PHE  24 -10.832   3.208   2.580
  157    HD1  PHE  24           1HD      PHE  24  -7.137   3.192   2.575
  158    HD2  PHE  24           2HD      PHE  24 -10.686   2.526   0.343
  159    HE1  PHE  24           1HE      PHE  24  -5.814   2.156   0.781
  160    HE2  PHE  24           2HE      PHE  24  -9.414   1.518  -1.445
  161    HZ   PHE  24           HZ       PHE  24  -6.951   1.304  -1.253
  162    H    CYS  25           H        CYS  25  -8.330   6.962   1.627
  163    HA   CYS  25           HA       CYS  25  -6.757   6.998   4.101
  164    HB2  CYS  25           2HB      CYS  25  -5.737   7.299   1.286
  165    HB3  CYS  25           1HB      CYS  25  -4.777   7.513   2.743
  166    H    HIS  26           H        HIS  26  -7.362   8.840   5.058
  167    HA   HIS  26           HA       HIS  26  -7.277  11.286   3.463
  168    HB2  HIS  26           2HB      HIS  26  -9.205  11.036   5.032
  169    HB3  HIS  26           1HB      HIS  26  -8.081  10.832   6.369
  170    HD1  HIS  26           1HD      HIS  26  -9.767  13.454   4.302
  171    HD2  HIS  26           2HD      HIS  26  -6.762  13.199   7.163
  172    HE1  HIS  26           1HE      HIS  26  -9.375  15.804   5.100
  173    H    CYS  27           H        CYS  27  -5.211  11.715   3.143
  174    HA   CYS  27           HA       CYS  27  -3.362  11.384   5.381
  175    HB2  CYS  27           2HB      CYS  27  -2.710  11.763   2.446
  176    HB3  CYS  27           1HB      CYS  27  -1.592  11.314   3.723
  177    H    ARG  28           H        ARG  28  -1.567  13.142   5.370
  178    HA   ARG  28           HA       ARG  28  -2.917  15.692   5.475
  179    HB2  ARG  28           2HB      ARG  28  -0.005  15.087   6.042
  180    HB3  ARG  28           1HB      ARG  28  -0.891  16.523   6.517
  181    HG2  ARG  28           2HG      ARG  28  -1.302  13.728   7.566
  182    HG3  ARG  28           1HG      ARG  28  -0.561  15.078   8.418
  183    HD2  ARG  28           2HD      ARG  28  -2.706  16.287   8.313
  184    HD3  ARG  28           1HD      ARG  28  -3.421  14.899   7.491
  185    HE   ARG  28           HE       ARG  28  -2.233  14.069   9.885
  186   HH11  ARG  28          1HH1      ARG  28  -5.071  15.819   8.732
  187   HH12  ARG  28          2HH1      ARG  28  -6.013  15.489  10.112
  188   HH21  ARG  28          1HH2      ARG  28  -3.523  13.642  11.810
  189   HH22  ARG  28          2HH2      ARG  28  -5.108  14.250  11.889
  190    HN1  NH2  29           1H       ARG  28  -3.292  16.136   3.308
  191    HN2  NH2  29           2H       ARG  28  -2.033  16.588   2.208
  Start of MODEL   19
    1    H1   HIS   1           1HT      HIS   1  13.200 -10.599 -10.808
    2    H2   HIS   1           2HT      HIS   1  13.228 -12.285 -10.782
    3    H3   HIS   1           3HT      HIS   1  13.660 -11.391  -9.411
    4    HA   HIS   1           HA       HIS   1  10.987 -11.409 -10.655
    5    HB2  HIS   1           2HB      HIS   1  11.903 -12.542  -7.986
    6    HB3  HIS   1           1HB      HIS   1  10.246 -12.481  -8.550
    7    HD1  HIS   1           1HD      HIS   1  13.317 -14.530  -8.708
    8    HD2  HIS   1           2HD      HIS   1   9.661 -14.302 -10.674
    9    HE1  HIS   1           1HE      HIS   1  13.041 -16.719  -9.916
   10    H    GLY   2           H        GLY   2   9.404 -10.393  -9.042
   11    HA2  GLY   2           2HA      GLY   2  10.398  -8.561  -7.121
   12    HA3  GLY   2           1HA      GLY   2   9.918  -7.756  -8.617
   13    H    GLU   3           H        GLU   3   8.611  -7.495  -6.049
   14    HA   GLU   3           HA       GLU   3   6.139  -8.947  -6.575
   15    HB2  GLU   3           2HB      GLU   3   5.410  -8.400  -4.333
   16    HB3  GLU   3           1HB      GLU   3   6.995  -9.149  -4.282
   17    HG2  GLU   3           2HG      GLU   3   8.042  -7.026  -3.870
   18    HG3  GLU   3           1HG      GLU   3   6.515  -6.183  -4.118
   19    H    GLY   4           H        GLY   4   4.181  -7.928  -6.604
   20    HA2  GLY   4           2HA      GLY   4   3.866  -5.107  -6.374
   21    HA3  GLY   4           1HA      GLY   4   3.804  -5.675  -8.048
   22    H    THR   5           H        THR   5   2.844  -7.405  -5.193
   23    HA   THR   5           HA       THR   5   0.402  -8.245  -6.416
   24    HB   THR   5           HB       THR   5   1.381  -8.608  -3.586
   25    HG1  THR   5           1HG      THR   5   1.689 -10.355  -5.807
   26   HG21  THR   5          3HG2      THR   5  -0.999  -9.128  -3.876
   27   HG22  THR   5          1HG2      THR   5  -0.077 -10.604  -3.604
   28   HG23  THR   5          2HG2      THR   5  -0.619 -10.191  -5.232
   29    H    PHE   6           H        PHE   6   1.353  -6.215  -3.665
   30    HA   PHE   6           HA       PHE   6  -1.379  -5.192  -3.548
   31    HB2  PHE   6           2HB      PHE   6  -0.900  -7.088  -1.931
   32    HB3  PHE   6           1HB      PHE   6   0.235  -6.008  -1.141
   33    HD1  PHE   6           2HD      PHE   6  -0.581  -4.084   0.148
   34    HD2  PHE   6           1HD      PHE   6  -3.214  -6.781  -1.799
   35    HE1  PHE   6           2HE      PHE   6  -2.434  -3.225   1.472
   36    HE2  PHE   6           1HE      PHE   6  -5.071  -5.948  -0.497
   37    HZ   PHE   6           HZ       PHE   6  -4.710  -4.155   1.163
   38    H    THR   7           H        THR   7  -1.365  -3.036  -3.287
   39    HA   THR   7           HA       THR   7   0.980  -1.772  -2.094
   40    HB   THR   7           HB       THR   7   1.190  -1.762  -4.523
   41    HG1  THR   7           1HG      THR   7   0.897   0.590  -3.022
   42   HG21  THR   7          3HG2      THR   7  -1.143  -1.684  -5.158
   43   HG22  THR   7          1HG2      THR   7  -0.314  -0.304  -5.894
   44   HG23  THR   7          2HG2      THR   7  -1.319  -0.087  -4.449
   45    H    SER   8           H        SER   8  -1.981  -2.372  -1.682
   46    HA   SER   8           HA       SER   8  -3.178   0.240  -1.380
   47    HB2  SER   8           2HB      SER   8  -4.233  -2.483  -0.629
   48    HB3  SER   8           1HB      SER   8  -5.157  -0.982  -0.723
   49    HG   SER   8           HG       SER   8  -5.286  -1.186  -2.767
   50    H    ASP   9           H        ASP   9  -0.839  -0.762   0.304
   51    HA   ASP   9           HA       ASP   9  -1.613  -0.992   3.000
   52    HB2  ASP   9           2HB      ASP   9   0.905   0.098   1.739
   53    HB3  ASP   9           1HB      ASP   9   0.721  -0.142   3.470
   54    H    CYS  10           H        CYS  10  -2.977   0.443   3.728
   55    HA   CYS  10           HA       CYS  10  -3.314   3.023   2.752
   56    HB2  CYS  10           2HB      CYS  10  -4.977   1.539   3.976
   57    HB3  CYS  10           1HB      CYS  10  -4.223   2.118   5.463
   58    H    SER  11           H        SER  11  -1.601   1.818   5.573
   59    HA   SER  11           HA       SER  11  -1.079   4.317   6.718
   60    HB2  SER  11           2HB      SER  11  -0.966   2.100   7.904
   61    HB3  SER  11           1HB      SER  11   0.505   1.747   7.004
   62    HG   SER  11           HG       SER  11   1.365   2.621   8.671
   63    H    LYS  12           H        LYS  12   0.494   2.422   4.209
   64    HA   LYS  12           HA       LYS  12   2.825   4.048   4.233
   65    HB2  LYS  12           2HB      LYS  12   1.973   1.869   2.384
   66    HB3  LYS  12           1HB      LYS  12   3.431   2.825   2.126
   67    HG2  LYS  12           2HG      LYS  12   4.214   2.183   4.361
   68    HG3  LYS  12           1HG      LYS  12   2.788   1.160   4.538
   69    HD2  LYS  12           2HD      LYS  12   4.655  -0.182   3.899
   70    HD3  LYS  12           1HD      LYS  12   3.489  -0.090   2.568
   71    HE2  LYS  12           2HE      LYS  12   5.766   0.099   1.704
   72    HE3  LYS  12           1HE      LYS  12   4.886   1.604   1.474
   73    HZ1  LYS  12           3HZ      LYS  12   6.079   2.556   3.384
   74    HZ2  LYS  12           1HZ      LYS  12   7.161   1.970   2.244
   75    HZ3  LYS  12           2HZ      LYS  12   6.859   1.106   3.660
   76    H    GLN  13           H        GLN  13  -0.203   4.060   2.432
   77    HA   GLN  13           HA       GLN  13   0.763   5.831   0.477
   78    HB2  GLN  13           2HB      GLN  13  -2.089   5.361   1.377
   79    HB3  GLN  13           1HB      GLN  13  -1.590   6.053  -0.171
   80    HG2  GLN  13           2HG      GLN  13  -1.321   3.211   0.802
   81    HG3  GLN  13           1HG      GLN  13  -2.230   3.804  -0.583
   82   HE21  GLN  13          1HE2      GLN  13  -1.127   4.127  -2.549
   83   HE22  GLN  13          2HE2      GLN  13   0.516   3.635  -2.743
   84    H    CYS  14           H        CYS  14  -0.780   6.129   3.607
   85    HA   CYS  14           HA       CYS  14  -0.897   8.970   3.608
   86    HB2  CYS  14           2HB      CYS  14  -0.837   6.975   5.882
   87    HB3  CYS  14           1HB      CYS  14  -1.139   8.696   6.089
   88    H    GLU  15           H        GLU  15   1.512   6.604   4.481
   89    HA   GLU  15           HA       GLU  15   3.386   8.075   5.893
   90    HB2  GLU  15           2HB      GLU  15   3.382   5.643   5.635
   91    HB3  GLU  15           1HB      GLU  15   3.717   5.824   3.927
   92    HG2  GLU  15           2HG      GLU  15   5.928   6.647   4.425
   93    HG3  GLU  15           1HG      GLU  15   5.587   6.564   6.156
   94    H    GLU  16           H        GLU  16   2.884   7.811   2.401
   95    HA   GLU  16           HA       GLU  16   5.066   9.717   2.011
   96    HB2  GLU  16           2HB      GLU  16   3.502   8.160  -0.042
   97    HB3  GLU  16           1HB      GLU  16   4.829   9.256  -0.404
   98    HG2  GLU  16           2HG      GLU  16   6.276   7.826   1.042
   99    HG3  GLU  16           1HG      GLU  16   4.933   6.690   1.131
  100    H    GLY  17           H        GLY  17   1.753   9.708   2.347
  101    HA2  GLY  17           2HA      GLY  17   0.260  11.468   2.316
  102    HA3  GLY  17           1HA      GLY  17   1.578  12.519   1.802
  103    H    ILE  18           H        ILE  18   0.186   9.624   0.392
  104    HA   ILE  18           HA       ILE  18   0.241  10.878  -2.213
  105    HB   ILE  18           HB       ILE  18  -0.824   8.129  -1.508
  106   HG12  ILE  18          2HG1      ILE  18   1.963   8.919  -2.388
  107   HG13  ILE  18          1HG1      ILE  18   1.506   8.397  -0.771
  108   HG21  ILE  18          1HG2      ILE  18  -0.347   7.639  -3.883
  109   HG22  ILE  18          2HG2      ILE  18   0.146   9.314  -4.120
  110   HG23  ILE  18          3HG2      ILE  18  -1.526   8.938  -3.709
  111   HD11  ILE  18          3HD1      ILE  18   2.546   6.592  -1.997
  112   HD12  ILE  18          1HD1      ILE  18   1.341   6.769  -3.278
  113   HD13  ILE  18          2HD1      ILE  18   0.841   6.235  -1.679
  114    H    GLY  19           H        GLY  19  -2.304   8.955  -0.649
  115    HA2  GLY  19           2HA      GLY  19  -4.569   9.290  -0.410
  116    HA3  GLY  19           1HA      GLY  19  -4.267  10.992  -0.695
  117    H    HIS  20           H        HIS  20  -3.003   9.751  -3.309
  118    HA   HIS  20           HA       HIS  20  -5.155  10.566  -4.942
  119    HB2  HIS  20           2HB      HIS  20  -2.761  10.907  -5.540
  120    HB3  HIS  20           1HB      HIS  20  -2.595   9.169  -5.745
  121    HD1  HIS  20           1HD      HIS  20  -4.128  12.206  -7.406
  122    HD2  HIS  20           2HD      HIS  20  -3.510   8.164  -8.138
  123    HE1  HIS  20           1HE      HIS  20  -4.781  11.837  -9.791
  124    H    LYS  21           H        LYS  21  -6.854   9.453  -5.391
  125    HA   LYS  21           HA       LYS  21  -8.295   7.799  -5.972
  126    HB2  LYS  21           2HB      LYS  21  -5.829   6.110  -6.454
  127    HB3  LYS  21           1HB      LYS  21  -7.465   5.652  -6.881
  128    HG2  LYS  21           2HG      LYS  21  -7.585   7.431  -8.520
  129    HG3  LYS  21           1HG      LYS  21  -6.006   8.038  -8.018
  130    HD2  LYS  21           2HD      LYS  21  -4.987   5.890  -8.717
  131    HD3  LYS  21           1HD      LYS  21  -6.565   5.343  -9.276
  132    HE2  LYS  21           2HE      LYS  21  -6.626   7.131 -10.922
  133    HE3  LYS  21           1HE      LYS  21  -5.102   7.771 -10.312
  134    HZ1  LYS  21           3HZ      LYS  21  -5.458   5.096 -11.564
  135    HZ2  LYS  21           1HZ      LYS  21  -4.001   5.733 -11.013
  136    HZ3  LYS  21           2HZ      LYS  21  -4.779   6.434 -12.322
  137    H    TYR  22           H        TYR  22  -7.082   8.119  -3.183
  138    HA   TYR  22           HA       TYR  22  -7.968   5.491  -2.212
  139    HB2  TYR  22           2HB      TYR  22  -5.886   7.136  -0.751
  140    HB3  TYR  22           1HB      TYR  22  -6.363   5.472  -0.441
  141    HD1  TYR  22           1HD      TYR  22  -6.237   4.337  -3.169
  142    HD2  TYR  22           2HD      TYR  22  -3.588   7.005  -1.168
  143    HE1  TYR  22           1HE      TYR  22  -4.475   3.638  -4.621
  144    HE2  TYR  22           2HE      TYR  22  -1.802   6.347  -2.639
  145    HH   TYR  22           HH       TYR  22  -2.288   4.549  -5.446
  146    HA   PRO  23           HA       PRO  23 -10.665   8.647  -0.309
  147    HB2  PRO  23           2HB      PRO  23 -12.897   7.083  -0.241
  148    HB3  PRO  23           1HB      PRO  23 -12.320   7.914  -1.705
  149    HG2  PRO  23           2HG      PRO  23 -11.902   5.067  -0.931
  150    HG3  PRO  23           1HG      PRO  23 -12.477   5.736  -2.468
  151    HD2  PRO  23           2HD      PRO  23  -9.919   5.019  -2.079
  152    HD3  PRO  23           1HD      PRO  23 -10.356   6.387  -3.118
  153    H    PHE  24           H        PHE  24  -9.846   5.429   0.459
  154    HA   PHE  24           HA       PHE  24 -10.727   5.548   3.187
  155    HB2  PHE  24           2HB      PHE  24  -9.516   3.213   3.184
  156    HB3  PHE  24           1HB      PHE  24 -11.070   3.400   2.386
  157    HD1  PHE  24           2HD      PHE  24 -11.230   3.390  -0.004
  158    HD2  PHE  24           1HD      PHE  24  -7.485   2.849   1.902
  159    HE1  PHE  24           2HE      PHE  24 -10.315   2.636  -2.102
  160    HE2  PHE  24           1HE      PHE  24  -6.522   2.057  -0.210
  161    HZ   PHE  24           HZ       PHE  24  -7.926   1.940  -2.240
  162    H    CYS  25           H        CYS  25  -8.056   6.676   1.552
  163    HA   CYS  25           HA       CYS  25  -6.460   6.593   4.009
  164    HB2  CYS  25           2HB      CYS  25  -5.285   6.252   1.250
  165    HB3  CYS  25           1HB      CYS  25  -4.414   6.258   2.774
  166    H    HIS  26           H        HIS  26  -7.568   8.723   4.097
  167    HA   HIS  26           HA       HIS  26  -6.091  10.685   2.501
  168    HB2  HIS  26           2HB      HIS  26  -8.586  10.840   2.350
  169    HB3  HIS  26           1HB      HIS  26  -8.648  11.093   4.087
  170    HD1  HIS  26           1HD      HIS  26  -8.013  12.877   0.889
  171    HD2  HIS  26           2HD      HIS  26  -7.660  13.607   4.961
  172    HE1  HIS  26           1HE      HIS  26  -7.731  15.379   1.128
  173    H    CYS  27           H        CYS  27  -4.329  11.216   3.584
  174    HA   CYS  27           HA       CYS  27  -4.625  11.873   6.401
  175    HB2  CYS  27           2HB      CYS  27  -2.343  10.298   5.190
  176    HB3  CYS  27           1HB      CYS  27  -2.478  10.786   6.875
  177    H    ARG  28           H        ARG  28  -3.820  13.801   6.805
  178    HA   ARG  28           HA       ARG  28  -2.890  15.448   4.742
  179    HB2  ARG  28           2HB      ARG  28  -2.454  17.134   6.551
  180    HB3  ARG  28           1HB      ARG  28  -4.086  16.499   6.486
  181    HG2  ARG  28           2HG      ARG  28  -3.679  15.106   8.401
  182    HG3  ARG  28           1HG      ARG  28  -1.967  15.542   8.401
  183    HD2  ARG  28           2HD      ARG  28  -4.255  17.459   8.795
  184    HD3  ARG  28           1HD      ARG  28  -3.259  16.782  10.087
  185    HE   ARG  28           HE       ARG  28  -1.433  17.850   8.462
  186   HH11  ARG  28          1HH1      ARG  28  -4.336  19.240   9.953
  187   HH12  ARG  28          2HH1      ARG  28  -3.728  20.830   9.933
  188   HH21  ARG  28          1HH2      ARG  28  -0.639  20.017   8.436
  189   HH22  ARG  28          2HH2      ARG  28  -1.585  21.292   9.045
  190    HN1  NH2  29           1H       ARG  28  -1.046  15.153   3.757
  191    HN2  NH2  29           2H       ARG  28   0.488  14.926   4.518
  Start of MODEL   20
    1    H1   HIS   1           1HT      HIS   1   7.714  -1.242  -4.551
    2    H2   HIS   1           2HT      HIS   1   6.371  -2.114  -5.045
    3    H3   HIS   1           3HT      HIS   1   6.917  -0.822  -5.987
    4    HA   HIS   1           HA       HIS   1   7.504  -2.920  -6.957
    5    HB2  HIS   1           2HB      HIS   1   9.098  -1.012  -7.143
    6    HB3  HIS   1           1HB      HIS   1   9.915  -1.587  -5.698
    7    HD1  HIS   1           1HD      HIS   1   9.254  -2.682  -9.292
    8    HD2  HIS   1           2HD      HIS   1  11.849  -3.436  -6.134
    9    HE1  HIS   1           1HE      HIS   1  11.008  -4.205 -10.196
   10    H    GLY   2           H        GLY   2   7.535  -5.019  -6.505
   11    HA2  GLY   2           2HA      GLY   2   8.066  -6.994  -5.426
   12    HA3  GLY   2           1HA      GLY   2   9.063  -6.081  -4.285
   13    H    GLU   3           H        GLU   3   5.746  -6.604  -5.233
   14    HA   GLU   3           HA       GLU   3   4.780  -5.463  -2.789
   15    HB2  GLU   3           2HB      GLU   3   3.270  -6.698  -5.076
   16    HB3  GLU   3           1HB      GLU   3   2.578  -5.757  -3.761
   17    HG2  GLU   3           2HG      GLU   3   4.462  -4.789  -5.895
   18    HG3  GLU   3           1HG      GLU   3   2.771  -4.338  -5.669
   19    H    GLY   4           H        GLY   4   4.265  -6.483  -1.062
   20    HA2  GLY   4           2HA      GLY   4   4.074  -9.402  -1.110
   21    HA3  GLY   4           1HA      GLY   4   4.414  -8.413   0.309
   22    H    THR   5           H        THR   5   2.621  -6.799   0.831
   23    HA   THR   5           HA       THR   5   0.184  -8.340   0.940
   24    HB   THR   5           HB       THR   5   0.912  -5.734   2.277
   25    HG1  THR   5           1HG      THR   5   1.829  -8.071   2.735
   26   HG21  THR   5          3HG2      THR   5  -1.028  -6.169   3.733
   27   HG22  THR   5          1HG2      THR   5  -1.426  -7.604   2.784
   28   HG23  THR   5          2HG2      THR   5  -1.528  -5.999   2.058
   29    H    PHE   6           H        PHE   6   0.745  -4.837   0.439
   30    HA   PHE   6           HA       PHE   6  -1.148  -4.828  -1.712
   31    HB2  PHE   6           2HB      PHE   6  -2.550  -5.024   0.284
   32    HB3  PHE   6           1HB      PHE   6  -1.792  -3.596   0.957
   33    HD1  PHE   6           1HD      PHE   6  -2.707  -3.745  -2.626
   34    HD2  PHE   6           2HD      PHE   6  -3.865  -2.550   1.289
   35    HE1  PHE   6           1HE      PHE   6  -4.552  -2.461  -3.565
   36    HE2  PHE   6           2HE      PHE   6  -5.690  -1.248   0.368
   37    HZ   PHE   6           HZ       PHE   6  -6.062  -1.190  -2.083
   38    H    THR   7           H        THR   7  -0.328  -3.444  -3.021
   39    HA   THR   7           HA       THR   7   1.710  -1.673  -2.665
   40    HB   THR   7           HB       THR   7  -0.543  -1.573  -4.662
   41    HG1  THR   7           1HG      THR   7   1.822  -3.074  -4.394
   42   HG21  THR   7          3HG2      THR   7   2.351  -0.735  -4.847
   43   HG22  THR   7          1HG2      THR   7   0.960   0.345  -4.691
   44   HG23  THR   7          2HG2      THR   7   1.141  -0.652  -6.143
   45    H    SER   8           H        SER   8  -1.773  -1.098  -2.579
   46    HA   SER   8           HA       SER   8  -1.387   1.709  -2.020
   47    HB2  SER   8           2HB      SER   8  -3.911   0.111  -2.399
   48    HB3  SER   8           1HB      SER   8  -3.739   1.867  -2.462
   49    HG   SER   8           HG       SER   8  -3.795   0.715  -4.500
   50    H    ASP   9           H        ASP   9  -0.530  -0.138   0.052
   51    HA   ASP   9           HA       ASP   9  -2.384  -0.567   2.099
   52    HB2  ASP   9           2HB      ASP   9   0.048  -1.346   2.197
   53    HB3  ASP   9           1HB      ASP   9   0.424   0.352   2.566
   54    H    CYS  10           H        CYS  10  -3.515   0.785   3.271
   55    HA   CYS  10           HA       CYS  10  -3.623   3.489   2.674
   56    HB2  CYS  10           2HB      CYS  10  -5.427   1.977   3.695
   57    HB3  CYS  10           1HB      CYS  10  -4.669   2.347   5.244
   58    H    SER  11           H        SER  11  -1.928   1.791   5.264
   59    HA   SER  11           HA       SER  11  -1.351   4.106   6.744
   60    HB2  SER  11           2HB      SER  11   0.186   1.515   6.709
   61    HB3  SER  11           1HB      SER  11   0.105   2.692   8.021
   62    HG   SER  11           HG       SER  11  -1.506   0.658   7.428
   63    H    LYS  12           H        LYS  12   0.256   2.253   4.281
   64    HA   LYS  12           HA       LYS  12   2.717   3.641   4.388
   65    HB2  LYS  12           2HB      LYS  12   2.508   1.382   3.441
   66    HB3  LYS  12           1HB      LYS  12   1.515   2.052   2.146
   67    HG2  LYS  12           2HG      LYS  12   3.350   3.385   1.370
   68    HG3  LYS  12           1HG      LYS  12   4.371   2.789   2.674
   69    HD2  LYS  12           2HD      LYS  12   4.150   0.529   1.802
   70    HD3  LYS  12           1HD      LYS  12   3.118   1.127   0.501
   71    HE2  LYS  12           2HE      LYS  12   4.920   2.570  -0.273
   72    HE3  LYS  12           1HE      LYS  12   5.966   1.985   1.017
   73    HZ1  LYS  12           3HZ      LYS  12   6.413   0.899  -1.086
   74    HZ2  LYS  12           1HZ      LYS  12   4.822   0.361  -1.170
   75    HZ3  LYS  12           2HZ      LYS  12   5.835  -0.237   0.032
   76    H    GLN  13           H        GLN  13  -0.205   3.978   2.361
   77    HA   GLN  13           HA       GLN  13   0.934   5.863   0.663
   78    HB2  GLN  13           2HB      GLN  13  -1.986   5.406   1.271
   79    HB3  GLN  13           1HB      GLN  13  -1.344   6.268  -0.121
   80    HG2  GLN  13           2HG      GLN  13  -1.078   3.328   0.495
   81    HG3  GLN  13           1HG      GLN  13  -1.952   4.075  -0.840
   82   HE21  GLN  13          1HE2      GLN  13   1.121   3.219   0.418
   83   HE22  GLN  13          2HE2      GLN  13   2.074   3.494  -0.982
   84    H    CYS  14           H        CYS  14  -0.642   6.159   3.767
   85    HA   CYS  14           HA       CYS  14  -0.674   8.994   3.535
   86    HB2  CYS  14           2HB      CYS  14  -1.264   7.155   5.833
   87    HB3  CYS  14           1HB      CYS  14  -1.215   8.898   6.056
   88    H    GLU  15           H        GLU  15   1.618   6.655   4.761
   89    HA   GLU  15           HA       GLU  15   3.266   8.633   5.990
   90    HB2  GLU  15           2HB      GLU  15   3.989   5.867   5.002
   91    HB3  GLU  15           1HB      GLU  15   5.063   6.902   5.930
   92    HG2  GLU  15           2HG      GLU  15   2.469   5.683   6.832
   93    HG3  GLU  15           1HG      GLU  15   4.093   5.302   7.404
   94    H    GLU  16           H        GLU  16   3.078   7.245   2.779
   95    HA   GLU  16           HA       GLU  16   5.344   8.652   1.753
   96    HB2  GLU  16           2HB      GLU  16   2.991   7.405   0.321
   97    HB3  GLU  16           1HB      GLU  16   4.374   8.104  -0.495
   98    HG2  GLU  16           2HG      GLU  16   5.805   6.421   0.667
   99    HG3  GLU  16           1HG      GLU  16   4.325   5.672   1.272
  100    H    GLY  17           H        GLY  17   2.070   9.417   2.336
  101    HA2  GLY  17           2HA      GLY  17   1.104  11.537   2.402
  102    HA3  GLY  17           1HA      GLY  17   2.562  12.180   1.652
  103    H    ILE  18           H        ILE  18   0.291   9.676   0.641
  104    HA   ILE  18           HA       ILE  18   0.043  11.139  -1.876
  105    HB   ILE  18           HB       ILE  18  -0.727   8.245  -1.362
  106   HG12  ILE  18          2HG1      ILE  18   1.765   9.365  -2.673
  107   HG13  ILE  18          1HG1      ILE  18   1.703   8.632  -1.076
  108   HG21  ILE  18          1HG2      ILE  18  -0.714   8.108  -3.841
  109   HG22  ILE  18          2HG2      ILE  18  -0.382   9.841  -3.918
  110   HG23  ILE  18          3HG2      ILE  18  -1.902   9.260  -3.233
  111   HD11  ILE  18          3HD1      ILE  18   0.997   6.516  -2.118
  112   HD12  ILE  18          1HD1      ILE  18   2.575   7.066  -2.681
  113   HD13  ILE  18          2HD1      ILE  18   1.153   7.276  -3.701
  114    H    GLY  19           H        GLY  19  -2.285   8.846  -0.440
  115    HA2  GLY  19           2HA      GLY  19  -4.511   9.161   0.148
  116    HA3  GLY  19           1HA      GLY  19  -4.144  10.876   0.306
  117    H    HIS  20           H        HIS  20  -3.639   9.032  -2.586
  118    HA   HIS  20           HA       HIS  20  -5.754  10.508  -3.971
  119    HB2  HIS  20           2HB      HIS  20  -3.536  11.553  -4.346
  120    HB3  HIS  20           1HB      HIS  20  -2.886   9.997  -4.812
  121    HD1  HIS  20           1HD      HIS  20  -4.819  12.898  -6.118
  122    HD2  HIS  20           2HD      HIS  20  -3.493   9.179  -7.380
  123    HE1  HIS  20           1HE      HIS  20  -4.954  12.935  -8.638
  124    H    LYS  21           H        LYS  21  -7.093   9.063  -4.874
  125    HA   LYS  21           HA       LYS  21  -7.944   7.217  -5.934
  126    HB2  LYS  21           2HB      LYS  21  -5.144   6.117  -5.901
  127    HB3  LYS  21           1HB      LYS  21  -6.501   5.322  -6.670
  128    HG2  LYS  21           2HG      LYS  21  -6.663   7.133  -8.290
  129    HG3  LYS  21           1HG      LYS  21  -5.348   7.990  -7.479
  130    HD2  LYS  21           2HD      LYS  21  -5.142   5.267  -8.781
  131    HD3  LYS  21           1HD      LYS  21  -4.541   6.779  -9.464
  132    HE2  LYS  21           2HE      LYS  21  -2.992   7.026  -7.574
  133    HE3  LYS  21           1HE      LYS  21  -3.600   5.540  -6.860
  134    HZ1  LYS  21           3HZ      LYS  21  -2.170   5.763  -9.442
  135    HZ2  LYS  21           1HZ      LYS  21  -2.797   4.334  -8.779
  136    HZ3  LYS  21           2HZ      LYS  21  -1.575   5.156  -7.997
  137    H    TYR  22           H        TYR  22  -7.077   7.608  -3.022
  138    HA   TYR  22           HA       TYR  22  -7.714   4.874  -2.191
  139    HB2  TYR  22           2HB      TYR  22  -5.963   6.747  -0.570
  140    HB3  TYR  22           1HB      TYR  22  -6.205   5.021  -0.315
  141    HD1  TYR  22           1HD      TYR  22  -5.749   3.874  -2.941
  142    HD2  TYR  22           2HD      TYR  22  -3.689   7.079  -1.042
  143    HE1  TYR  22           1HE      TYR  22  -3.819   3.469  -4.358
  144    HE2  TYR  22           2HE      TYR  22  -1.770   6.687  -2.480
  145    HH   TYR  22           HH       TYR  22  -0.785   4.895  -3.761
  146    HA   PRO  23           HA       PRO  23 -10.993   7.772  -0.891
  147    HB2  PRO  23           2HB      PRO  23 -13.008   5.952  -0.929
  148    HB3  PRO  23           1HB      PRO  23 -12.354   6.698  -2.392
  149    HG2  PRO  23           2HG      PRO  23 -11.739   4.016  -1.252
  150    HG3  PRO  23           1HG      PRO  23 -12.097   4.481  -2.923
  151    HD2  PRO  23           2HD      PRO  23  -9.589   4.094  -2.039
  152    HD3  PRO  23           1HD      PRO  23  -9.980   5.277  -3.304
  153    H    PHE  24           H        PHE  24  -9.549   5.242   0.652
  154    HA   PHE  24           HA       PHE  24 -11.113   5.610   3.094
  155    HB2  PHE  24           2HB      PHE  24  -9.947   3.379   3.754
  156    HB3  PHE  24           1HB      PHE  24 -11.293   3.330   2.624
  157    HD1  PHE  24           1HD      PHE  24 -10.882   2.991   0.259
  158    HD2  PHE  24           2HD      PHE  24  -7.733   2.741   3.081
  159    HE1  PHE  24           1HE      PHE  24  -9.534   1.905  -1.408
  160    HE2  PHE  24           2HE      PHE  24  -6.324   1.610   1.410
  161    HZ   PHE  24           HZ       PHE  24  -7.212   1.178  -0.857
  162    H    CYS  25           H        CYS  25  -8.498   6.873   1.768
  163    HA   CYS  25           HA       CYS  25  -6.987   6.837   4.286
  164    HB2  CYS  25           2HB      CYS  25  -5.827   7.069   1.519
  165    HB3  CYS  25           1HB      CYS  25  -4.935   7.046   3.033
  166    H    HIS  26           H        HIS  26  -7.501   8.775   5.156
  167    HA   HIS  26           HA       HIS  26  -7.328  11.108   3.409
  168    HB2  HIS  26           2HB      HIS  26  -9.247  10.893   5.087
  169    HB3  HIS  26           1HB      HIS  26  -8.043  11.035   6.360
  170    HD1  HIS  26           1HD      HIS  26 -10.250  13.064   4.317
  171    HD2  HIS  26           2HD      HIS  26  -6.591  13.603   6.219
  172    HE1  HIS  26           1HE      HIS  26  -9.882  15.549   4.418
  173    H    CYS  27           H        CYS  27  -5.251  11.529   3.094
  174    HA   CYS  27           HA       CYS  27  -3.394  11.173   5.322
  175    HB2  CYS  27           2HB      CYS  27  -2.776  11.475   2.378
  176    HB3  CYS  27           1HB      CYS  27  -1.658  11.005   3.647
  177    H    ARG  28           H        ARG  28  -1.513  12.765   5.195
  178    HA   ARG  28           HA       ARG  28  -2.501  15.443   5.319
  179    HB2  ARG  28           2HB      ARG  28   0.291  14.314   5.607
  180    HB3  ARG  28           1HB      ARG  28  -0.179  15.963   5.986
  181    HG2  ARG  28           2HG      ARG  28  -1.565  15.229   7.789
  182    HG3  ARG  28           1HG      ARG  28  -1.343  13.541   7.341
  183    HD2  ARG  28           2HD      ARG  28   1.034  13.713   7.836
  184    HD3  ARG  28           1HD      ARG  28   0.835  15.415   8.260
  185    HE   ARG  28           HE       ARG  28  -0.859  14.356   9.933
  186   HH11  ARG  28          1HH1      ARG  28   2.378  13.095   9.140
  187   HH12  ARG  28          2HH1      ARG  28   2.628  12.459  10.700
  188   HH21  ARG  28          1HH2      ARG  28  -0.475  13.478  12.014
  189   HH22  ARG  28          2HH2      ARG  28   1.003  12.676  12.362
  190    HN1  NH2  29           1H       ARG  28  -2.992  16.172   3.319
  191    HN2  NH2  29           2H       ARG  28  -1.883  16.290   1.993